diff --git a/ipython/data/chem_annotated.inp b/ipython/data/chem_annotated.inp new file mode 100644 index 0000000000..6ca38f8824 --- /dev/null +++ b/ipython/data/chem_annotated.inp @@ -0,0 +1,63469 @@ +ELEMENTS + H + D /2.014/ + T /3.016/ + C + CI /13.003/ + O + OI /17.999/ + N + Ne + Ar + He + Si + S + F + Cl + Br + I + X /195.083/ +END + +SPECIES + Ar ! Ar + He ! He + Ne ! Ne + N2 ! N2 + RC10L(1) ! RC10L(1) + RC10(2) ! RC10(2) + LC10(3) ! LC10(3) + [CH2]C(C)L(4) ! [CH2]C(C)L(4) + C[CH]CC(C)CR(5) ! C[CH]CC(C)CR(5) + [CH2]C(C)CR(6) ! [CH2]C(C)CR(6) + C[CH]CC(C)L(7) ! C[CH]CC(C)L(7) + C[CH]L(8) ! C[CH]L(8) + C7H14R(9) ! [CH2]C(C)CC(C)CR(9) + C[CH]CR(10) ! C[CH]CR(10) + C6H12L(11) ! [CH2]C(C)CC(C)L(11) + C3H5R(12) ! C=CCR(12) + CC(C)L(13) ! CC(C)L(13) + [CH2]R(14) ! [CH2]R(14) + C8H16L(15) ! C[CH]CC(C)CC(C)L(15) + CCCC(C)L(16) ! CCCC(C)L(16) + C6H11R(17) ! C=CCC(C)CR(17) + C3H6(18) ! C=CC(18) + C2H3L(19) ! C=CL(19) + CC(C)CR(20) ! CC(C)CR(20) + C8H15L(21) ! C=CCC(C)CC(C)L(21) + CR(22) ! CR(22) + CC(C)CC(C)CR(23) ! CC(C)CC(C)CR(23) + C5H9L(24) ! C=CCC(C)L(24) + CC(C)CC(C)L(25) ! CC(C)CC(C)L(25) + CCL(26) ! CCL(26) + CCCR(27) ! CCCR(27) + C7H14LR(28) ! CC(L)CCC(C)CR(28) + C10H20LR(29) ! CC(L)CCC(C)CC(C)CR(29) + C9H18L2(30) ! CC(L)CCC(C)CC(C)L(30) + CC(L)CCR(31) ! CC(L)CCR(31) + CCCC(C)CR(32) ! CCCC(C)CR(32) + C8H16L2(33) ! CC(L)CC(C)CC(C)L(33) + CC(CR)CCR(34) ! CC(CR)CCR(34) + CC(L)CC(C)L(35) ! CC(L)CC(C)L(35) + C8H16R2(36) ! CC(CR)CC(C)CCR(36) + CC(L)CC(C)CR(37) ! CC(L)CC(C)CR(37) + C7H14LR(38) ! CC(L)CC(C)CCR(38) + C9H18R2(39) ! CC(CR)CC(C)C(C)CR(39) + C7H14R2(40) ! CC(CR)CC(C)CR(40) + CC(L)CR(41) ! CC(L)CR(41) + CC(CR)CR(42) ! CC(CR)CR(42) + C8H16LR(43) ! CC(CR)CC(C)C(C)L(43) + C8H16LR(44) ! CC(L)CC(C)C(C)CR(44) + CC(L)CCC(C)L(45) ! CC(L)CCC(C)L(45) + C7H14L2(46) ! CC(L)CC(C)C(C)L(46) + CC(L)C(C)CR(47) ! CC(L)C(C)CR(47) + C10H20R2(48) ! CC(CR)CC(C)CC(C)CR(48) + C8H17L(49) ! CCCC(C)CC(C)L(49) + C11H22L2(50) ! CC(L)CC(C)CC(C)CC(C)L(50) + CC(L)C(C)L(51) ! CC(L)C(C)L(51) + CC(CR)C(C)CR(52) ! CC(CR)C(C)CR(52) + C10H20L2(53) ! CC(L)CC(C)CC(C)C(C)L(53) + C11H22LR(54) ! CC(L)CC(C)CC(C)C(C)CR(54) + RCCR(55) ! RCCR(55) + C6H11R(56) ! CC=CC(C)CR(56) + C5H9L(57) ! CC=CC(C)L(57) + C3H5R(58) ! CC=CR(58) + C3H5L(59) ! C=C(C)L(59) + C4H7R(60) ! C=C(C)CR(60) + C8H15L(61) ! CC=CC(C)CC(C)L(61) + C7H13R(62) ! C=C(C)CC(C)CR(62) + C6H11L(63) ! C=C(C)CC(C)L(63) + C10H20R(64) ! CC(C)CC(C)CC(C)[CH]R(64) + C9H17LR(65) ! C[C](CC(C)L)CC(C)CR(65) + C9H17LR(66) ! CC(L)CC(C)[CH]C(C)CR(66) + C9H17LR(67) ! CC(L)CC(C)CC(C)[CH]R(67) + C9H17LR(68) ! CC(L)[CH]C(C)CC(C)CR(68) + C9H17LR(69) ! C[C](CR)CC(C)CC(C)L(69) + C9H17LR(70) ! [CH2]C(L)CC(C)CC(C)CR(70) + C9H17LR(71) ! [CH2]C(CR)CC(C)CC(C)L(71) + C9H17LR(72) ! C[C](L)CC(C)CC(C)CR(72) + C9H17LR(73) ! [CH2]C(CC(C)L)CC(C)CR(73) + CH3(74) ! CH3(74) + C(75) ! C(75) + C10H20L(76) ! CC(C)CC(C)CC(C)[CH]L(76) + C5H8L(77) ! CC=C[C](C)L(77) + C3H4R(78) ! C=C[CH]R(78) + C4H6R(79) ! C=C(C)[CH]R(79) + C[C]1CC1R(80) ! C[C]1CC1R(80) + C4H7R(81) ! CC(C)=CR(81) + H(82) ! H(82) + [H][H](83) ! [H][H](83) + C5H9L(84) ! CCC=C(C)L(84) + C7H15(85) ! [CH2]C(C)CC(C)C(85) + C3H5L(86) ! CC=CL(86) + CC(C)CC(C)C(87) ! CC(C)CC(C)C(87) + RC1[CH]C1(88) ! RC1[CH]C1(88) + C5H8L(89) ! C=C[CH]C(C)L(89) + C6H10R(90) ! CC=C[C](C)CR(90) + C4H5L(91) ! C=CC=CL(91) + C6H9L2(92) ! CC(L)C[CH]C=CL(92) + C[CH]CC(93) ! C[CH]CC(93) + C[CH]C(94) ! C[CH]C(94) + CCC(95) ! CCC(95) + C5H8L(96) ! CC[CH]C=CL(96) + C7H11LR(97) ! CC(CR)C[CH]C=CL(97) + C6H11R(98) ! CCC=C(C)CR(98) + C6H9LR(99) ! C[C](L)CCC=CR(99) + C7H9LR(100) ! LC=C[CH]CCC=CR(100) + CC(L)C[CH]L(101) ! CC(L)C[CH]L(101) + C3H5(102) ! [CH2]C=C(102) + C6H10L(103) ! C=C(C)[CH]C(C)L(103) + C5H7L(104) ! C=C(C)C=CL(104) + C6H9R(105) ! C=CCCC=CR(105) + C7H11L2(106) ! C[C](C=CL)CC(C)L(106) + C6H11L(107) ! CC(C)=CC(C)L(107) + C7H12R(108) ! C=C(C)[CH]C(C)CR(108) + C7H12R(109) ! C[C]1CC1C(C)CR(109) + C6H10(110) ! C=C(C)C=CC(110) + C6H9R(111) ! C=CCC(R)C=C(111) + C8H14L(112) ! CC=C[C](C)CC(C)L(112) + C6H9(113) ! [CH2]C=CC(=C)C(113) + C6H9(114) ! C[C]1C=CCC1(114) + C12H18(115) ! CC1=CC(C2(C)C=CCC2)CC1(115) + C6H10(116) ! CC1=CCCC1(116) + C12H18(117) ! CC1=CC(C2C=C(C)CC2)CC1(117) + C6H8(118) ! CC1=CC=CC1(118) + C10H14L(119) ! C=CC=C(C)CC[CH]C=CL(119) + C7H13R(120) ! CC(C)=CC(C)CR(120) + C10H14L(121) ! C=C(C)C=CCC[CH]C=CL(121) + C9H14L(122) ! C=CC=C(C)CC[C](C)L(122) + C6H7(123) ! CC1=CC=C[CH]1(123) + C5H9LR(124) ! CC(CR)C[CH]L(124) + C6H8(125) ! CC1=CCC=C1(125) + C7H11(126) ! C[C]1C=CCC1C(126) + C7H11(127) ! [CH2]C=CC(C)=CC(127) + C8H13LR(128) ! C[C](C=CL)CC(C)CR(128) + C8H11LR(129) ! C[C](C=CL)CCC=CR(129) + C7H10L(130) ! C=CCC[CH]C=CL(130) + C6H10L(131) ! CC[C](C)C=CL(131) + C9H14L(132) ! C=C(C)C=CCC[C](C)L(132) + C6H8R2(133) ! C=CC(R)CC=CR(133) + C8H11LR(134) ! CC(=CR)CC[CH]C=CL(134) + C11H16L(135) ! C=CC=C(C)CC[C](C)C=CL(135) + C11H16L(136) ! C=C(C)C=CCC[C](C)C=CL(136) + C10H16R(137) ! C=CC=C(C)CC[C](C)CR(137) + C5H9LR(138) ! CC(L)C[CH]CR(138) + C6H10L(139) ! C=CCC[C](C)L(139) + C10H16R(140) ! C=C(C)C=CCC[C](C)CR(140) + C8H12L(141) ! C=CCC[C](C)C=CL(141) + C9H13LR(142) ! C[C](C=CL)CCC(C)=CR(142) + C7H11LR(143) ! C[C](L)CCC(C)=CR(143) + C6H9LR(144) ! CC1(L)CCC1[CH]R(144) + C6H9L2(145) ! C=C[CH]C(L)C(C)L(145) + C7H11R2(146) ! C[C](CR)CCC=CR(146) + C3H4L(147) ! [CH2]C(=C)L(147) + C7H9LR(148) ! LC=CC1CC[CH]C1R(148) + L[C]1CC1(149) ! L[C]1CC1(149) + C7H9LR(150) ! LC1[CH]C2CCC1C2R(150) + C7H9LR(151) ! R[CH]C1CCC=CC1L(151) + C7H9L2(152) ! C=C(L)CC[CH]C=CL(152) + C7H12R(153) ! C=CCC[C](C)CR(153) + C7H9LR(154) ! LC1C2[CH]CCC1C2R(154) + CC[C](C)L(155) ! CC[C](C)L(155) + C4H7(156) ! [CH2]C(=C)C(156) + C4H8(157) ! C=C(C)C(157) + C[C]1CC1(158) ! C[C]1CC1(158) + C9H15(159) ! C[CH]CC1C=C(C)CC1(159) + C6H9(160) ! CC1=CCC[CH]1(160) + C6H9(161) ! [CH2]C=C(C)C=C(161) + C8H11L2(162) ! C=C(L)CC[C](C)C=CL(162) + C6H10(163) ! C=CCCC=C(163) + C8H12L(164) ! C=C(C)CC[CH]C=CL(164) + C6H8R2(165) ! RC=CCCC=CR(165) + C9H14L(166) ! C=CC(C)=CCC[C](C)L(166) + C10H14L(167) ! C=CC(C)=CCC[CH]C=CL(167) + C11H16L(168) ! C=CC(C)=CCC[C](C)C=CL(168) + C6H10L(169) ! C[C](L)C=C(C)C(169) + C6H9L2(170) ! C=C(L)CC[C](C)L(170) + C6H10R(171) ! C=C[CH]C(C)CR(171) + C7H11LR(172) ! CC1(L)CCC1(C)[CH]R(172) + C5H8(173) ! C=CC=CC(173) + C5H7(174) ! [CH2]C=CC=C(174) + C9H12L(175) ! C=CC=CCC[CH]C=CL(175) + C8H12L(176) ! C=CC=CCC[C](C)L(176) + C9H14R(177) ! C=CC=CCC[C](C)CR(177) + C5H7(178) ! [CH]1C=CCC1(178) + C10H14(179) ! C=CC=CCC1C=CCC1(179) + C5H8(180) ! C1=CCCC1(180) + C11H17(181) ! C=CC=CCC[C](C)C=CC(181) + C10H14L(182) ! C=CC=CCC[C](C)C=CL(182) + C10H15(183) ! C=CC=CCC[CH]C=CC(183) + C10H14(184) ! C=CC=CCCC=CC=C(184) + C9H12L(185) ! C=C[CH]C(L)CC=CC=C(185) + C10H14(186) ! C1=CC(C2C=CCC2)CC1(186) + C5H6(187) ! C1=CCC=C1(187) + C11H18L(188) ! C=CC=CCC[C](C)CC(C)L(188) + C5H5(189) ! [CH]1C=CC=C1(189) + C9H14L(190) ! C=C(C)CC[C](C)C=CL(190) + C8H13(191) ! C=CC=CCC[CH]C(191) + C12H20R(192) ! C=CC=CCC[C](C)CC(C)CR(192) + C7H12L(193) ! CC=C[CH]CC(C)L(193) + C8H12(194) ! C=CC=CCCC=C(194) + [CH2]CC(195) ! [CH2]CC(195) + C2H4(196) ! C=C(196) + C8H13(197) ! C=C[CH]C1CCC1C(197) + C8H13(198) ! [CH2]CC(C=C)C(=C)C(198) + C7H12R(199) ! C[C](C=C(C)C)CR(199) + C10H14(200) ! C=CC=CCC(C=C)C=C(200) + C10H12(201) ! C=CC=CCC1C=CC=C1(201) + C10H13(202) ! C=CC=CCC1C=C[CH]C1(202) + C5H9L2(203) ! C[C](L)CC(C)L(203) + C11H16(204) ! C=CC=CCC1C=C(C)CC1(204) + C10H14L(205) ! C=CC=CCC(L)[CH]C(=C)C(205) + C7H11LR(206) ! C=C[CH]C(L)C(C)CR(206) + C8H9R(207) ! RC=CCC1C=CC=C1(207) + C8H11LR(208) ! C[C]1CCC(C=CL)C1R(208) + C8H11LR(209) ! CC12CCC([CH]C1L)C2R(209) + C10H13(210) ! C=CC(C=C)C1[CH]C=CC1(210) + C11H16(211) ! C=CC=CCC1(C)C=CCC1(211) + C7H9LR(212) ! L[CH]C1CCC=CC1R(212) + C8H11R(213) ! C=CC=CCCC=CR(213) + C8H14R(214) ! CC=C[CH]CC(C)CR(214) + C7H9LR(215) ! RC1[CH]C2CCC1C2L(215) + C8H13R2(216) ! C[C](CR)CCC(C)=CR(216) + C7H9LR(217) ! RC=CC1CC[CH]C1L(217) + C7H9LR(218) ! R[CH]C=CCCC=CL(218) + C3H4L(219) ! [CH2]C=CL(219) + C4H5R(220) ! C=CC=CR(220) + C7H9(221) ! [CH2]CC1C=CC=C1(221) + C9H12R(222) ! C=CC=CCC[CH]C=CR(222) + C9H15(223) ! C=CC=CCC[C](C)C(223) + C4H6R(224) ! [CH2]C(=C)CR(224) + RC[C]1CC1(225) ! RC[C]1CC1(225) + C11H15(226) ! C=CC(C=C)C1[CH]C=C(C)C1(226) + C9H14R(227) ! C=CC=CCC(R)[C](C)C(227) + C9H13LR(228) ! C=C(CR)CC[C](C)C=CL(228) + C11H16(229) ! C=CC=CCC1CCC=C1C(229) + C7H10L(230) ! C=CC=CCC[CH]L(230) + C9H15(231) ! C[CH]CC1CCC=C1C(231) + C10H16R(232) ! C=CC(C)=CCC[C](C)CR(232) + C11H15(233) ! C=CC(C=C)C1[CH]C(C)=CC1(233) + C11H15(234) ! C=CC=CCC1CC=C[C]1C(234) + C10H15(235) ! C=C[CH]C(C)CC=CC=C(235) + C8H11LR(236) ! C=C(CR)CC[CH]C=CL(236) + C7H12L(237) ! C=C(C)CC[C](C)L(237) + C11H17(238) ! C=CC=C(C)CC[CH]C=CC(238) + C6H7(239) ! [CH2]C1=CC=CC1(239) + C10H13R(240) ! C=C1C=CC(CC(=C)CR)C1(240) + C9H12L(241) ! C[C](L)CCC1=CC=CC1(241) + C8H11(242) ! [CH2]CC1C=CCC1=C(242) + C10H12L(243) ! LC=C[CH]CCC1=CC=CC1(243) + C12H14(244) ! C=C1C=CC(C2C=CCC2=C)C1(244) + C9H12L(245) ! CC1(L)CCC2=C[CH]C1C2(245) + C11H14(246) ! C=CC=CCC1C=CC(=C)C1(246) + C10H14R(247) ! C[C](CR)CCC1=CC=CC1(247) + C11H14L(248) ! C[C](C=CL)CCC1=CC=CC1(248) + C10H12L(249) ! LC=CC1CCC2=C[CH]C1C2(249) + C10H14R(250) ! CC1(CR)CCC2=C[CH]C1C2(250) + C11H14(251) ! C=CC=CCC1C=CCC1=C(251) + C6H6(252) ! C=C1C=CC=C1(252) + C9H15L2(253) ! C[C](L)CCC(C)=CC(C)L(253) + C12H14(254) ! C=C1C=CC(C2C=CC(=C)C2)C1(254) + C12H14(255) ! C=C1CC=CC1C1C=CCC1=C(255) + C11H15(256) ! CC=C[CH]CCC1=CC=CC1(256) + C12H14(257) ! C=C1C=CC(CC2=CC=CC2)C1(257) + C11H14L(258) ! CC1(C=CL)CCC2=C[CH]C1C2(258) + C12H18L(259) ! C[C](CCC1=CC=CC1)CC(C)L(259) + C9H13(260) ! C=C1C=CC(C[CH]C)C1(260) + C12H14(261) ! C=C1CC=CC1CC1=CC=CC1(261) + C5H7L(262) ! C=CC=C(C)L(262) + C9H11R(263) ! C=C1C=CC(CC=CR)C1(263) + C9H11R(264) ! C=C1CC=CC1CC=CR(264) + C11H15(265) ! CC=CC1CCC2=C[CH]C1C2(265) + C12H17(266) ! CC=C[C](C)CCC1=CC=CC1(266) + C12H16(267) ! C=C1C=CC(C2C=C(C)CC2)C1(267) + C9H11R(268) ! C=CC(R)C1C=CC(=C)C1(268) + C12H16(269) ! C=C1CC=CC1C1C=C(C)CC1(269) + C9H11R(270) ! C=CC(R)C1C=CCC1=C(270) + C11H14(271) ! C=CC=CCCC1=CC=CC1(271) + C9H12(272) ! C=CCC1C=CC(=C)C1(272) + C12H16(273) ! C=C1C=CC(C2(C)C=CCC2)C1(273) + C11H14(274) ! C=C1C=CC(C2C=CCC2)C1(274) + C9H12(275) ! C=CCC1C=CCC1=C(275) + C11H14(276) ! C=C1CC=CC1C1C=CCC1(276) + C12H14(277) ! C1=CCC(CCC2=CC=CC2)=C1(277) + C11H14(278) ! C=CC(C=C)C1C=CC(=C)C1(278) + C11H14(279) ! C=CC(C=C)C1C=CCC1=C(279) + C12H16(280) ! C=C1CC=CC1C1(C)C=CCC1(280) + C13H20R(281) ! C[C](CCC1=CC=CC1)CC(C)CR(281) + C10H12L(282) ! C=C1C=CC(C[CH]C=CL)C1(282) + C12H15(283) ! C=C1CC=CC1C1[CH]C=C(C)C1(283) + C11H12(284) ! C=C1C=CC(C2C=CC=C2)C1(284) + C6H9R(285) ! CC=CC(C)=CR(285) + C7H12R(286) ! CC=C[C](C)C(C)R(286) + C6H8R(287) ! [CH2]C=CC(C)=CR(287) + C6H8R(288) ! C[C]1C=CCC1R(288) + C10H13LR(289) ! CC(C=CCC[CH]C=CL)=CR(289) + C6H8(290) ! C=C1C=CCC1(290) + C8H12R(291) ! [CH2]CC(C=C)C(C)=CR(291) + C10H12L(292) ! C=C[CH]C(L)CC1=CC=CC1(292) + C9H12L(293) ! C=C1C=CC(C[C](C)L)C1(293) + C12H18L(294) ! CC(L)CC1(C)CCC2=C[CH]C1C2(294) + C11H15LR(295) ! C[C](C=CL)CCC=CC(C)=CR(295) + C12H15R(296) ! C=CC=C(C)C(R)C1C=CC(=C)C1(296) + C11H14L(297) ! C=C1C=CC(C[C](C)C=CL)C1(297) + C11H13(298) ! C=C1CC=CC1C1[CH]C=CC1(298) + C9H13LR(299) ! C[C](L)CCC=CC(C)=CR(299) + C12H15R(300) ! C=CC(C(C)=CR)C1C=CC(=C)C1(300) + C12H15R(301) ! C=C1C=CC(CC=CC(C)=CR)C1(301) + C12H15R(302) ! C=CC=C(C)C(R)C1C=CCC1=C(302) + C12H15R(303) ! C=CC(C(C)=CR)C1C=CCC1=C(303) + C12H15R(304) ! C=C1CC=CC1CC=CC(C)=CR(304) + C12H16R2(305) ! C=CC=C(C)C(R)C(C=C)C(C)=CR(305) + C12H15R(306) ! C=C1C=CC(C2C=C(C)C(R)C2)C1(306) + C10H12L(307) ! C=CC1C(L)CC2=C[CH]C1C2(307) + C12H16(308) ! C=C1C=CC(C2CCC=C2C)C1(308) + C12H16(309) ! C=C1CC=CC1C1CCC=C1C(309) + C13H20R(310) ! CC(CR)CC1(C)CCC2=C[CH]C1C2(310) + C9H13(311) ! C[CH]CCC1=CC=CC1(311) + C9H13(312) ! CC1CCC2=C[CH]C1C2(312) + C9H13(313) ! CC1CCC2=CC1[CH]C2(313) + C9H12L(314) ! CC1(L)CCC2=CC1[CH]C2(314) + C12H16R2(315) ! C=CC=C(C)C(R)CC=CC(C)=CR(315) + C10H14R(316) ! C=C1C=CC(C[C](C)CR)C1(316) + C12H15R(317) ! C=C1C=CC(C2(C)C=CCC2R)C1(317) + C10H15R2(318) ! C[C](CR)CCC=CC(C)=CR(318) + C12H16R2(319) ! C=CC(CC=CC(C)=CR)C(C)=CR(319) + C12H15R(320) ! C=C1CC=CC1C1C=C(C)C(R)C1(320) + C12H15R(321) ! C=C1CC=CC1C1(C)C=CCC1R(321) + C12H15R(322) ! C=CC=C(C)C(R)CC1=CC=CC1(322) + C12H15(323) ! C=C1CC=CC1C1[CH]C(C)=CC1(323) + C10H12R(324) ! RC=C[CH]CCC1=CC=CC1(324) + C6H11L(325) ! CC(L)=CC(C)C(325) + C11H14L(326) ! C=C(C)[CH]C(L)CC1=CC=CC1(326) + C11H14L(327) ! C=C(C)C1C(L)CC2=C[CH]C1C2(327) + C8H10L(328) ! C=C1C=CC(C[CH]L)C1(328) + C11H12(329) ! C=C1CC=CC1C1C=CC=C1(329) + C7H13R(330) ! CC(=CC(C)C)CR(330) + C11H14(331) ! C=CC(C=C)CC1=CC=CC1(331) + C9H14L(332) ! C[C](L)CC1CCC=C1C(332) + C10H12R(333) ! RC=CC1CCC2=C[CH]C1C2(333) + C12H15R(334) ! C=CC(CC1=CC=CC1)C(C)=CR(334) + C12H16(335) ! C=CC=C(C)CC1C=CC(=C)C1(335) + C12H15R(336) ! CC(C=CCCC1=CC=CC1)=CR(336) + C12H15(337) ! C[C]1C=CCC1CC1=CC=CC1(337) + C9H13R(338) ! C=CC=C(C)C(R)CC=C(338) + [CH2]C(C)C(399) ! [CH2]C(C)C(399) + C5H8LR(1393) ! CC(L)CC=CR(1393) + C6H9R(1802) ! C=CC=C(C)CR(1802) + C4H6L(1895) ! C=C[CH]CL(1895) + C10H17LR(3394) ! C[C](L)CCC(C)=CC(C)CR(3394) + C13H22R(4080) ! C=C(C)C=CCC[C](C)CC(C)CR(4080) + C13H22R(4084) ! C=CC=C(C)CC[C](C)CC(C)CR(4084) + C12H20L(4086) ! C=C(C)C=CCC[C](C)CC(C)L(4086) + C12H20L(4090) ! C=CC=C(C)CC[C](C)CC(C)L(4090) + C11H17(10750) ! C=C(C)C=CCC[CH]C=CC(10750) + C11H16(11277) ! C=CC=CCCC=CC(=C)C(11277) + C11H16(11279) ! C=CC=CCC(C=C)C(=C)C(11279) + C11H16(11281) ! C=CC=CCCC(C)=CC=C(11281) + C6H8(18175) ! C=C1CC=CC1(18175) + C9H12R(18180) ! RC[CH]CCC1=CC=CC1(18180) + C9H12R(18184) ! C=C1C=CC(C[CH]CR)C1(18184) + C9H13(18191) ! [CH2]C(C)CC1=CC=CC1(18191) + C9H13(18194) ! [CH2]C(C)C1C=CC(=C)C1(18194) + C8H10L(18195) ! L[CH]CCC1=CC=CC1(18195) + C9H12R(18224) ! CC([CH]R)CC1=CC=CC1(18224) + C9H12R(18225) ! C[CH]C(R)CC1=CC=CC1(18225) + C13H20R(18248) ! C=C1C=CC(C[C](C)CC(C)CR)C1(18248) + C12H18L(18253) ! C=C1C=CC(C[C](C)CC(C)L)C1(18253) + C9H11R(18275) ! C=CC(R)CC1=CC=CC1(18275) + C9H11R(18276) ! RC=CCCC1=CC=CC1(18276) + C10H13R(18278) ! C=C(C)C(R)CC1=CC=CC1(18278) + C10H13R(18279) ! C=C(C)C(R)C1C=CCC1=C(18279) + C10H13R(18280) ! C=C1C=CC(C(R)C(=C)C)C1(18280) + C10H13R(18281) ! CC(=CR)CCC1=CC=CC1(18281) + C10H13R(18282) ! C=C1CC=CC1CC(C)=CR(18282) + C10H13R(18283) ! C=C1C=CC(CC(C)=CR)C1(18283) + C10H14R(18285) ! C[C](C)C(R)CC1=CC=CC1(18285) + C9H12(18323) ! C=CCCC1=CC=CC1(18323) + C12H16(18374) ! C=C(C)C=CCCC1=CC=CC1(18374) + C12H16(18375) ! C=C(C)C=CCC1C=CCC1=C(18375) + C12H16(18376) ! C=C(C)C=CCC1C=CC(=C)C1(18376) + C12H16(18377) ! C=CC(CC1=CC=CC1)C(=C)C(18377) + C12H16(18378) ! C=CC(C(=C)C)C1C=CCC1=C(18378) + C12H16(18379) ! C=CC(C(=C)C)C1C=CC(=C)C1(18379) + C12H16(18380) ! C=CC=C(C)CCC1=CC=CC1(18380) + C12H16(18381) ! C=CC=C(C)CC1C=CCC1=C(18381) + C12H15(18389) ! CC1=C[CH]C(CC2=CC=CC2)C1(18389) + C12H15(18406) ! CC1=CCC(CC2=CC=CC2)[CH]1(18406) + C9H11L(18430) ! C=C(L)CC1C=CCC1=C(18430) + C9H11L(18431) ! C=C(L)CC1C=CC(=C)C1(18431) + C10H14(18433) ! C=C(C)CCC1=CC=CC1(18433) + C10H14(18434) ! C=C(C)CC1C=CCC1=C(18434) + C10H14(18435) ! C=C(C)CC1C=CC(=C)C1(18435) + C10H15(18437) ! C[C](C)CCC1=CC=CC1(18437) + C11H15(18454) ! C=C[CH]C(C)CC1=CC=CC1(18454) + C11H15(18464) ! C=C1C=CC(C[CH]C=CC)C1(18464) + C11H13(18468) ! [CH]1C=CCC1CC1=CC=CC1(18468) + C10H13R(18540) ! C=C(CR)CC1C=CCC1=C(18540) + C12H16(18679) ! CC1(CC2=CC=CC2)C=CCC1(18679) + C12H16(18680) ! CC1=CC(CC2=CC=CC2)CC1(18680) + C12H16(18717) ! CC1=CCCC1CC1=CC=CC1(18717) + C12H16(18724) ! C=CC(C)=CCCC1=CC=CC1(18724) + C12H16(18725) ! C=CC(C)=CCC1C=CCC1=C(18725) + C12H16(18726) ! C=CC(C)=CCC1C=CC(=C)C1(18726) + C11H14(18772) ! C1=CCC(CC2C=CCC2)=C1(18772) + C9H13(20452) ! CC1C[C]2C=CC(C2)C1(20452) + C10H14L(20637) ! C=CC=CCC[CH]C=C(C)L(20637) + C11H14L(20661) ! CC(L)=C[CH]CCC1=CC=CC1(20661) + C12H15(22038) ! [CH]1C=C(CCC2=CC=CC2)CC1(22038) + C10H13L(22766) ! C=C1C=CC(CC=CCL)C1(22766) + C6H7R(24238) ! CC1=CC=CC1R(24238) + C9H12R2(24302) ! C=CC=C(C)C(R)CC=CR(24302) + C9H13R(24328) ! C=CCC(C=C)C(C)=CR(24328) + C12H15R(24501) ! CC1(CC2=CC=CC2)C=CCC1R(24501) + C12H15R(24502) ! CC1=CC(CC2=CC=CC2)CC1R(24502) + C9H13(26444) ! CC1CCC12[CH]C=CC2(26444) + CC(C)C(29484) ! CC(C)C(29484) + C8H10L(30673) ! LC1CCC2=CC1[CH]C2(30673) + C8H10L(30674) ! LC1CCC2=C[CH]C1C2(30674) + C10H15(32869) ! CC1(C)CC[C]2CC=CC21(32869) + C10H15(32871) ! CC1(C)CC[C]2C=CC1C2(32871) + C10H14R(33566) ! CC1(C)C(R)CC2=C[CH]C1C2(33566) + C9H12R(34500) ! CC1C(R)CC2=C[CH]C1C2(34500) + C11H15(35243) ! C=CC1C(C)C[C]2CC=CC21(35243) + C11H15(35245) ! C=CC1C(C)C[C]2C=CC1C2(35245) + C4H7L(36302) ! CC=CCL(36302) + C7H11L2(36342) ! C[C](L)CCC=CCL(36342) + C9H12R(38722) ! CC1CC2=CC([CH]C2)C1R(38722) + C9H12R(38723) ! CC1CC2=C[CH]C(C2)C1R(38723) + C9H13(38809) ! CC1CC2=CC([CH]C2)C1(38809) + C9H12R(39454) ! RCC1CCC2=C[CH]C1C2(39454) +END + + + +THERM ALL + 300.000 1000.000 5000.000 + +! Thermo library: primaryThermoLibrary +Ar Ar 1 G 200.000 6000.000 1000.00 1 + 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 +-7.45375000E+02 4.37967000E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 + 0.00000000E+00 0.00000000E+00-7.45375000E+02 4.37967000E+00 4 + +! Thermo library: primaryThermoLibrary +He He 1 G 200.000 6000.000 1000.00 1 + 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 +-7.45375000E+02 9.28724000E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 + 0.00000000E+00 0.00000000E+00-7.45375000E+02 9.28724000E-01 4 + +! Thermo library: primaryThermoLibrary +Ne Ne 1 G 200.000 6000.000 1000.00 1 + 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 +-7.45375000E+02 3.35532000E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 + 0.00000000E+00 0.00000000E+00-7.45375000E+02 3.35532000E+00 4 + +! Thermo library: primaryThermoLibrary +N2 N 2 G 200.000 6000.000 1000.00 1 + 2.95258000E+00 1.39690000E-03-4.92632000E-07 7.86010000E-11-4.60755000E-15 2 +-9.23949000E+02 5.87189000E+00 3.53101000E+00-1.23661000E-04-5.02999000E-07 3 + 2.43531000E-09-1.40881000E-12-1.04698000E+03 2.96747000E+00 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) +RC10L(1) C 9H 18 G 100.000 5000.000 1475.27 1 + 7.59528611E+01 2.20398637E-01-9.14165528E-05 1.66861152E-08-1.13498563E-12 2 +-8.62394036E+04-3.30152770E+02-1.93244509E+01 4.78730549E-01-3.54078942E-04 3 + 1.35381875E-07-2.12492329E-11-5.81274570E+04 1.66552894E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +RC10(2) C 10H 21 G 100.000 5000.000 1541.52 1 + 5.25819112E+01 1.41559443E-01-5.75049538E-05 1.03543536E-08-6.97199284E-13 2 +-6.81216129E+04-2.27869605E+02-1.12586940E+01 3.07216242E-01-2.18700413E-04 3 + 8.00673617E-08-1.20031246E-11-4.84393644E+04 1.07752431E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +LC10(3) C 10H 21 G 100.000 5000.000 1541.52 1 + 5.25819112E+01 1.41559443E-01-5.75049538E-05 1.03543536E-08-6.97199284E-13 2 +-6.81216129E+04-2.27869605E+02-1.12586940E+01 3.07216242E-01-2.18700413E-04 3 + 8.00673617E-08-1.20031246E-11-4.84393644E+04 1.07752431E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Isobutyl) +[CH2]C(C)L(4) C 3H 6 G 100.000 5000.000 1541.83 1 + 3.85263906E+01 9.20737671E-02-3.61812354E-05 6.40440974E-09-4.27053219E-13 2 +-1.72857131E+04-1.58964846E+02-6.64458714E+00 2.09262111E-01-1.50190622E-04 3 + 5.57007052E-08-8.42022648E-12-3.35656505E+03 7.85165414E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! radical(RCCJC) +C[CH]CC(C)CR(5) C 6H 12 G 100.000 5000.000 1504.78 1 + 3.73110068E+01 1.24090988E-01-5.16915954E-05 9.42939166E-09-6.40147780E-13 2 +-2.63151970E+04-1.45476457E+02-7.63102707E+00 2.43555525E-01-1.70776457E-04 3 + 6.21877884E-08-9.40526826E-12-1.27896006E+04 8.97083637E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Isobutyl) +[CH2]C(C)CR(6) C 4H 8 G 100.000 5000.000 1519.91 1 + 3.92972533E+01 1.00629423E-01-4.00342189E-05 7.13854495E-09-4.78395364E-13 2 +-2.03296949E+04-1.61024373E+02-7.18965368E+00 2.22972227E-01-1.60775972E-04 3 + 6.00992802E-08-9.18967192E-12-6.19869614E+03 8.27092716E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJC) +C[CH]CC(C)L(7) C 5H 10 G 100.000 5000.000 1528.48 1 + 3.66313351E+01 1.15380919E-01-4.77499172E-05 8.67437936E-09-5.87079363E-13 2 +-2.33094290E+04-1.43930256E+02-7.07660540E+00 2.29762870E-01-1.59999807E-04 3 + 5.76332992E-08-8.59480160E-12-9.94799178E+03 8.54797337E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJC) +C[CH]L(8) C 2H 4 G 100.000 5000.000 1579.29 1 + 3.21217372E+01 9.35182810E-02-3.84391464E-05 6.94331813E-09-4.67564767E-13 2 +-1.29304278E+04-1.24747764E+02-5.16083715E+00 1.87946445E-01-1.28125933E-04 3 + 4.48026431E-08-6.46062354E-12-1.15436187E+03 7.21565346E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Isobutyl) +C7H14R(9) C 7H 14 G 100.000 5000.000 1490.61 1 + 4.40902741E+01 1.22074368E-01-4.91283992E-05 8.82238256E-09-5.94227390E-13 2 +-3.08522359E+04-1.81847704E+02-9.10947611E+00 2.64833564E-01-1.92786413E-04 3 + 7.30723786E-08-1.13699802E-11-1.49921665E+04 9.60470823E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! radical(RCCJC) +C[CH]CR(10) C 3H 6 G 100.000 5000.000 1547.65 1 + 3.27303213E+01 1.02317717E-01-4.24205492E-05 7.70581332E-09-5.21141571E-13 2 +-1.58940403E+04-1.25871154E+02-5.70657103E+00 2.01658272E-01-1.38700569E-04 3 + 4.91786017E-08-7.22032038E-12-3.99642459E+03 7.63522612E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Isobutyl) +C6H12L(11) C 6H 12 G 100.000 5000.000 1508.31 1 + 4.32997881E+01 1.13536214E-01-4.52795603E-05 8.08827009E-09-5.42830726E-13 2 +-2.77937857E+04-1.79666252E+02-8.55761480E+00 2.51060899E-01-1.82046718E-04 3 + 6.85388497E-08-1.05624307E-11-1.21503963E+04 9.18285434E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! group(Cds-CdsHH) +C3H5R(12) C 3H 5 G 100.000 5000.000 1625.44 1 + 4.13862881E+01 8.61337216E-02-3.42268835E-05 6.07203419E-09-4.04046532E-13 2 +-2.75511326E+04-1.77368601E+02-6.54350417E+00 2.04082902E-01-1.43073661E-04 3 + 5.07150689E-08-7.27035182E-12-1.19697443E+04 7.71481686E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsHH) +CC(C)L(13) C 3H 7 G 100.000 5000.000 1644.57 1 + 4.27916236E+01 8.93842125E-02-3.51299322E-05 6.18767706E-09-4.09634053E-13 2 +-4.43623526E+04-1.87521249E+02-6.93229131E+00 2.10323244E-01-1.45435879E-04 3 + 5.09022255E-08-7.20683389E-12-2.80072178E+04 7.71052377E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJ) +[CH2]R(14) C 1H 2 G 100.000 5000.000 1624.69 1 + 3.64343719E+01 7.74270253E-02-3.08291301E-05 5.47403071E-09-3.64440441E-13 2 +-1.05305705E+04-1.52031513E+02-5.26002960E+00 1.80079364E-01-1.25603569E-04 3 + 4.43634158E-08-6.34858670E-12 3.01747437E+03 6.93547196E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! radical(RCCJC) +C8H16L(15) C 8H 16 G 100.000 5000.000 1494.00 1 + 4.12792897E+01 1.37057211E-01-5.69716248E-05 1.03873720E-08-7.05271163E-13 2 +-3.37654893E+04-1.63926566E+02-9.00332731E+00 2.71682854E-01-1.92138096E-04 3 + 7.07026926E-08-1.07982084E-11-1.87410614E+04 9.88442474E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +CCCC(C)L(16) C 5H 11 G 100.000 5000.000 1594.11 1 + 4.40713161E+01 1.06818786E-01-4.29770201E-05 7.68206216E-09-5.14061186E-13 2 +-4.98892225E+04-1.89383727E+02-7.99085891E+00 2.37454646E-01-1.65900196E-04 3 + 5.90891050E-08-8.57606016E-12-3.32905943E+04 8.60637692E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C6H11R(17) C 6H 11 G 100.000 5000.000 1578.29 1 + 4.59276097E+01 1.07895147E-01-4.34620486E-05 7.78252817E-09-5.21698626E-13 2 +-3.83266623E+04-1.96694728E+02-8.43351518E+00 2.45669206E-01-1.74403678E-04 3 + 6.30927637E-08-9.28291777E-12-2.11673688E+04 9.03728099E+01 4 + +! Thermo library: DFT_QCI_thermo +C3H6(18) C 3H 6 G 100.000 5000.000 983.75 1 + 5.36754852E+00 1.70743074E-02-6.35107943E-06 1.16619604E-09-8.27620902E-14 2 +-4.87136983E+02-4.54465723E+00 3.31912186E+00 8.17957661E-03 3.34736487E-05 3 +-4.36194166E-08 1.58213573E-11 7.49325292E+02 9.54024758E+00 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C2H3L(19) C 2H 3 G 100.000 5000.000 1653.46 1 + 4.07472692E+01 7.74275193E-02-3.03142241E-05 5.32811083E-09-3.52144137E-13 2 +-2.45919396E+04-1.76104698E+02-6.01948220E+00 1.90563667E-01-1.32949543E-04 3 + 4.67099481E-08-6.60896857E-12-9.12647370E+03 7.30356709E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +CC(C)CR(20) C 4H 9 G 100.000 5000.000 1618.41 1 + 4.34228450E+01 9.81075269E-02-3.90538119E-05 6.93445619E-09-4.61784836E-13 2 +-4.73199304E+04-1.88744173E+02-7.45870284E+00 2.23863364E-01-1.55607832E-04 3 + 5.49457984E-08-7.87816021E-12-3.08503528E+04 8.12269298E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C8H15L(21) C 8H 15 G 100.000 5000.000 1561.45 1 + 4.98474090E+01 1.20915066E-01-4.87623012E-05 8.74356210E-09-5.86973757E-13 2 +-4.57452936E+04-2.14851163E+02-9.79588657E+00 2.73705132E-01-1.95539931E-04 3 + 7.14110239E-08-1.06205466E-11-2.71193564E+04 9.94709841E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +CR(22) C 1H 3 G 100.000 5000.000 1679.72 1 + 3.90478443E+01 7.61426480E-02-2.97303858E-05 5.20770642E-09-3.43051755E-13 2 +-3.66461511E+04-1.69718848E+02-5.58579996E+00 1.82431290E-01-1.24647088E-04 3 + 4.28794655E-08-5.94992102E-12-2.16517950E+04 6.87607578E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +CC(C)CC(C)CR(23) C 7H 15 G 100.000 5000.000 1574.47 1 + 4.79531879E+01 1.19892290E-01-4.83040988E-05 8.64877813E-09-5.79768956E-13 2 +-5.76902548E+04-2.08012014E+02-9.35195126E+00 2.65478226E-01-1.87004124E-04 3 + 6.73775800E-08-9.90494434E-12-3.96452207E+04 9.44639985E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C5H9L(24) C 5H 9 G 100.000 5000.000 1600.35 1 + 4.52409493E+01 9.92347396E-02-3.95629486E-05 7.03978495E-09-4.69776807E-13 2 +-3.53331899E+04-1.95136900E+02-7.89885641E+00 2.32054825E-01-1.64054195E-04 3 + 5.88996470E-08-8.57108525E-12-1.83246844E+04 8.62196191E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +CC(C)CC(C)L(25) C 6H 13 G 100.000 5000.000 1595.34 1 + 4.72741267E+01 1.11217363E-01-4.43960626E-05 7.90383831E-09-5.27660133E-13 2 +-5.46992807E+04-2.06495741E+02-8.81576052E+00 2.51850339E-01-1.76623334E-04 3 + 6.31589402E-08-9.18640617E-12-3.68026221E+04 9.03049262E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +CCL(26) C 2H 5 G 100.000 5000.000 1648.26 1 + 3.96316091E+01 8.49195137E-02-3.36752866E-05 5.95790351E-09-3.95396480E-13 2 +-3.95727588E+04-1.70654782E+02-6.10590951E+00 1.95915286E-01-1.34686954E-04 3 + 4.68137421E-08-6.59220368E-12-2.44952792E+04 7.28583139E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +CCCR(27) C 3H 7 G 100.000 5000.000 1619.33 1 + 4.02383699E+01 9.36798304E-02-3.76187744E-05 6.70903400E-09-4.47891496E-13 2 +-4.25183136E+04-1.71736776E+02-6.63284667E+00 2.09459578E-01-1.44867030E-04 3 + 5.08625565E-08-7.26455325E-12-2.73383810E+04 7.69820737E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C7H14LR(28) C 7H 14 G 100.000 5000.000 1479.02 1 + 7.19338964E+01 2.07510640E-01-8.61785979E-05 1.57375767E-08-1.07061559E-12 2 +-7.87648661E+04-3.11411839E+02-1.79529115E+01 4.50608518E-01-3.32724419E-04 3 + 1.26867651E-07-1.98549942E-11-5.21759438E+04 1.57420074E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) +C10H20LR(29) C 10H 20 G 100.000 5000.000 1466.16 1 + 7.67441503E+01 2.28947774E-01-9.52763901E-05 1.74235795E-08-1.18670493E-12 2 +-8.93030266E+04-3.32347701E+02-1.98836507E+01 4.92570837E-01-3.64985722E-04 3 + 1.40061853E-07-2.20983092E-11-6.09688382E+04 1.70799299E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- +! CdsHH) +C9H18L2(30) C 9H 18 G 100.000 5000.000 1475.27 1 + 7.59528611E+01 2.20398637E-01-9.14165528E-05 1.66861152E-08-1.13498563E-12 2 +-8.62394036E+04-3.30152770E+02-1.93244509E+01 4.78730549E-01-3.54078942E-04 3 + 1.35381875E-07-2.12492329E-11-5.81274570E+04 1.66552894E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- +! CdsHH) +CC(L)CCR(31) C 4H 8 G 100.000 5000.000 1494.35 1 + 6.71460882E+01 1.86045197E-01-7.70682258E-05 1.40492108E-08-9.54366487E-13 2 +-6.82399178E+04-2.90609368E+02-1.60257393E+01 4.08679900E-01-3.00549296E-04 3 + 1.13751724E-07-1.76346235E-11-4.33828661E+04 1.44054310E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +CCCC(C)CR(32) C 6H 13 G 100.000 5000.000 1571.50 1 + 4.47361094E+01 1.15517591E-01-4.68986533E-05 8.43018160E-09-5.66431604E-13 2 +-5.28741224E+04-1.90819487E+02-8.52834708E+00 2.51093805E-01-1.76306547E-04 3 + 6.33280547E-08-9.29979511E-12-3.61331189E+04 9.02278398E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- +! CdsHH) +C8H16L2(33) C 8H 16 G 100.000 5000.000 1484.71 1 + 7.51657343E+01 2.11846595E-01-8.75566252E-05 1.59488868E-08-1.08330118E-12 2 +-8.31791443E+04-3.27984274E+02-1.87673673E+01 4.64909968E-01-3.43221574E-04 3 + 1.30745896E-07-2.04128278E-11-5.52859650E+04 1.62314504E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) +CC(CR)CCR(34) C 5H 10 G 100.000 5000.000 1483.31 1 + 6.79194031E+01 1.94616011E-01-8.09371883E-05 1.47882824E-08-1.00618649E-12 2 +-7.12925726E+04-2.92696761E+02-1.65814805E+01 4.22487642E-01-3.11373300E-04 3 + 1.18356929E-07-1.84618888E-11-4.62244259E+04 1.48287650E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +CC(L)CC(C)L(35) C 5H 10 G 100.000 5000.000 1499.79 1 + 7.03777505E+01 1.90385023E-01-7.84498327E-05 1.42615841E-08-9.67153121E-13 2 +-7.26555240E+04-3.07183409E+02-1.68423354E+01 4.23001038E-01-3.11094971E-04 3 + 1.17672369E-07-1.82044417E-11-4.64927737E+04 1.48956870E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C8H16R2(36) C 8H 16 G 100.000 5000.000 1469.25 1 + 7.27198238E+01 2.16067137E-01-9.00420105E-05 1.64757764E-08-1.12238939E-12 2 +-8.18255679E+04-3.13575341E+02-1.85116031E+01 4.64443913E-01-3.43618374E-04 3 + 1.31535688E-07-2.07004907E-11-5.50173505E+04 1.61664570E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- +! CdsHH) +CC(L)CC(C)CR(37) C 6H 12 G 100.000 5000.000 1489.22 1 + 7.11536137E+01 1.98949166E-01-8.23140692E-05 1.49993977E-08-1.01886043E-12 2 +-7.57083234E+04-3.09283436E+02-1.73964228E+01 4.36793657E-01-3.21882019E-04 3 + 1.22245574E-07-1.90227436E-11-4.93344220E+04 1.53183919E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) +C7H14LR(38) C 7H 14 G 100.000 5000.000 1479.02 1 + 7.19338964E+01 2.07510640E-01-8.61785979E-05 1.57375767E-08-1.07061559E-12 2 +-7.87648661E+04-3.11411839E+02-1.79529115E+01 4.50608518E-01-3.32724419E-04 3 + 1.26867651E-07-1.98549942E-11-5.21759438E+04 1.57420074E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C9H18R2(39) C 9H 18 G 100.000 5000.000 1475.27 1 + 7.59528611E+01 2.20398637E-01-9.14165528E-05 1.66861152E-08-1.13498563E-12 2 +-8.62394036E+04-3.30152770E+02-1.93244509E+01 4.78730549E-01-3.54078942E-04 3 + 1.35381875E-07-2.12492329E-11-5.81274570E+04 1.66552894E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) +C7H14R2(40) C 7H 14 G 100.000 5000.000 1479.02 1 + 7.19338964E+01 2.07510640E-01-8.61785979E-05 1.57375767E-08-1.07061559E-12 2 +-7.87648661E+04-3.11411839E+02-1.79529115E+01 4.50608518E-01-3.32724419E-04 3 + 1.26867651E-07-1.98549942E-11-5.21759438E+04 1.57420074E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +CC(L)CR(41) C 3H 6 G 100.000 5000.000 1505.82 1 + 6.63779470E+01 1.77470953E-01-7.31993102E-05 1.33104776E-08-9.02593934E-13 2 +-6.51915286E+04-2.88554972E+02-1.54725850E+01 3.94896093E-01-2.89784759E-04 3 + 1.09198923E-07-1.68222817E-11-4.05411699E+04 1.39830782E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- +! CdsHH) +CC(CR)CR(42) C 4H 8 G 100.000 5000.000 1494.35 1 + 6.71460882E+01 1.86045197E-01-7.70682258E-05 1.40492108E-08-9.54366487E-13 2 +-6.82399178E+04-2.90609368E+02-1.60257393E+01 4.08679900E-01-3.00549296E-04 3 + 1.13751724E-07-1.76346235E-11-4.33828661E+04 1.44054310E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) +C8H16LR(43) C 8H 16 G 100.000 5000.000 1484.71 1 + 7.51657343E+01 2.11846595E-01-8.75566252E-05 1.59488868E-08-1.08330118E-12 2 +-8.31791443E+04-3.27984274E+02-1.87673673E+01 4.64909968E-01-3.43221574E-04 3 + 1.30745896E-07-2.04128278E-11-5.52859650E+04 1.62314504E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) +C8H16LR(44) C 8H 16 G 100.000 5000.000 1484.71 1 + 7.51657343E+01 2.11846595E-01-8.75566252E-05 1.59488868E-08-1.08330118E-12 2 +-8.31791443E+04-3.27984274E+02-1.87673673E+01 4.64909968E-01-3.43221574E-04 3 + 1.30745896E-07-2.04128278E-11-5.52859650E+04 1.62314504E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +CC(L)CCC(C)L(45) C 6H 12 G 100.000 5000.000 1489.22 1 + 7.11536137E+01 1.98949166E-01-8.23140692E-05 1.49993977E-08-1.01886043E-12 2 +-7.57083234E+04-3.09283436E+02-1.73964228E+01 4.36793657E-01-3.21882019E-04 3 + 1.22245574E-07-1.90227436E-11-4.93344220E+04 1.53183919E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- +! CdsHH) +C7H14L2(46) C 7H 14 G 100.000 5000.000 1494.60 1 + 7.43845326E+01 2.03289032E-01-8.36952377E-05 1.52115930E-08-1.03162789E-12 2 +-8.01231385E+04-3.25852407E+02-1.82123807E+01 4.51108910E-01-3.32413134E-04 3 + 1.26153446E-07-1.95889395E-11-5.24443634E+04 1.58084057E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- +! CdsHH) +CC(L)C(C)CR(47) C 5H 10 G 100.000 5000.000 1499.79 1 + 7.03777505E+01 1.90385023E-01-7.84498327E-05 1.42615841E-08-9.67153121E-13 2 +-7.26555240E+04-3.07183409E+02-1.68423354E+01 4.23001038E-01-3.11094971E-04 3 + 1.17672369E-07-1.82044417E-11-4.64927737E+04 1.48956870E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C10H20R2(48) C 10H 20 G 100.000 5000.000 1466.16 1 + 7.67441503E+01 2.28947774E-01-9.52763901E-05 1.74235795E-08-1.18670493E-12 2 +-8.93030266E+04-3.32347701E+02-1.98836507E+01 4.92570837E-01-3.64985722E-04 3 + 1.40061853E-07-2.20983092E-11-6.09688382E+04 1.70799299E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +C8H17L(49) C 8H 17 G 100.000 5000.000 1554.89 1 + 4.86451320E+01 1.28557691E-01-5.22112034E-05 9.39422141E-09-6.31961750E-13 2 +-6.02890306E+04-2.08916685E+02-9.89275526E+00 2.79147767E-01-1.97484881E-04 3 + 7.16808740E-08-1.06465782E-11-4.20849931E+04 9.93338245E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) +C11H22L2(50) C 11H 22 G 100.000 5000.000 1471.95 1 + 7.99750319E+01 2.33281944E-01-9.66520937E-05 1.76341309E-08-1.19931512E-12 2 +-9.37155757E+04-3.48912285E+02-2.06961127E+01 5.06853825E-01-3.75436947E-04 3 + 1.43899535E-07-2.26445517E-11-6.40789645E+04 1.75686167E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +CC(L)C(C)L(51) C 4H 8 G 100.000 5000.000 1510.86 1 + 6.96078518E+01 1.81816021E-01-7.45847849E-05 1.35239001E-08-9.15475584E-13 2 +-6.96072914E+04-3.05120767E+02-1.62906661E+01 4.09230782E-01-3.00363448E-04 3 + 1.13148050E-07-1.74000456E-11-4.36509978E+04 1.44738996E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) +CC(CR)C(C)CR(52) C 6H 12 G 100.000 5000.000 1489.22 1 + 7.11536137E+01 1.98949166E-01-8.23140692E-05 1.49993977E-08-1.01886043E-12 2 +-7.57083234E+04-3.09283436E+02-1.73964228E+01 4.36793657E-01-3.21882019E-04 3 + 1.22245574E-07-1.90227436E-11-4.93344220E+04 1.53183919E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) +C10H20L2(53) C 10H 20 G 100.000 5000.000 1480.81 1 + 7.91833410E+01 2.24735842E-01-9.27948993E-05 1.68974356E-08-1.14766819E-12 2 +-9.06527016E+04-3.46716799E+02-2.01384092E+01 4.93027362E-01-3.64564450E-04 3 + 1.39249733E-07-2.18040727E-11-6.12375042E+04 1.71445441E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C11H22LR(54) C 11H 22 G 100.000 5000.000 1471.95 1 + 7.99750319E+01 2.33281944E-01-9.66520937E-05 1.76341309E-08-1.19931512E-12 2 +-9.37155757E+04-3.48912285E+02-2.06961127E+01 5.06853825E-01-3.75436947E-04 3 + 1.43899535E-07-2.26445517E-11-6.40789645E+04 1.75686167E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) +RCCR(55) C 2H 4 G 100.000 5000.000 1500.22 1 + 6.31443474E+01 1.73132989E-01-7.18182364E-05 1.30981430E-08-8.89805343E-13 2 +-6.07745508E+04-2.71968994E+02-1.46553688E+01 3.80569205E-01-2.79224763E-04 3 + 1.05265628E-07-1.62488543E-11-3.74312949E+04 1.34925870E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +C6H11R(56) C 6H 11 G 100.000 5000.000 1573.74 1 + 4.44614767E+01 1.10024794E-01-4.45884695E-05 8.00872436E-09-5.37864887E-13 2 +-3.95105343E+04-1.88882527E+02-8.23867289E+00 2.43974812E-01-1.72263205E-04 3 + 6.20946966E-08-9.12989091E-12-2.29234172E+04 8.92618993E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +C5H9L(57) C 5H 9 G 100.000 5000.000 1596.45 1 + 4.37869676E+01 1.01342742E-01-4.06765588E-05 7.26290782E-09-4.85685660E-13 2 +-3.65216992E+04-1.87392304E+02-7.70229806E+00 2.30345382E-01-1.61879110E-04 3 + 5.78736153E-08-8.41077781E-12-2.00808296E+04 8.51021119E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) +C3H5R(58) C 3H 5 G 100.000 5000.000 1622.86 1 + 3.96068401E+01 8.88860835E-02-3.57370036E-05 6.37739500E-09-4.25852434E-13 2 +-2.83511716E+04-1.67857564E+02-6.28921156E+00 2.02012109E-01-1.40300717E-04 3 + 4.93327143E-08-7.04320343E-12-1.34548820E+04 7.57858915E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! group(Cds-CdsHH) +C3H5L(59) C 3H 5 G 100.000 5000.000 1574.43 1 + 3.87516459E+01 9.03518399E-02-3.64895985E-05 6.54424310E-09-4.39156847E-13 2 +-2.80190099E+04-1.63108264E+02-6.34472480E+00 2.04923457E-01-1.45644631E-04 3 + 5.27640327E-08-7.77826746E-12-1.38187555E+04 7.49247196E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) +C4H7R(60) C 4H 7 G 100.000 5000.000 1549.92 1 + 3.94537407E+01 9.90023529E-02-4.03890107E-05 7.28801366E-09-4.91219466E-13 2 +-3.10255349E+04-1.64764903E+02-6.88564493E+00 2.18594302E-01-1.56129385E-04 3 + 5.70714999E-08-8.52124630E-12-1.66610987E+04 7.91018149E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +C8H15L(61) C 8H 15 G 100.000 5000.000 1556.80 1 + 4.83755521E+01 1.23055907E-01-4.98957019E-05 8.97148815E-09-6.03288118E-13 2 +-4.69273810E+04-2.07007849E+02-9.60235862E+00 2.72022403E-01-1.93426767E-04 3 + 7.04354708E-08-1.04735063E-11-2.88753318E+04 9.83651109E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C7H13R(62) C 7H 13 G 100.000 5000.000 1514.69 1 + 4.41411172E+01 1.20598012E-01-4.95591836E-05 8.98803361E-09-6.08288683E-13 2 +-4.18951831E+04-1.84973005E+02-8.80078909E+00 2.60409894E-01-1.88017759E-04 3 + 6.99295301E-08-1.06668910E-11-2.58573734E+04 9.24221318E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C6H11L(63) C 6H 11 G 100.000 5000.000 1534.14 1 + 4.34033539E+01 1.11985813E-01-4.56735399E-05 8.24618201E-09-5.56306813E-13 2 +-3.88648693E+04-1.83099435E+02-8.25205344E+00 2.46667371E-01-1.77357154E-04 3 + 6.54694725E-08-9.88122830E-12-2.30154470E+04 8.82153246E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cs_S) +C10H20R(64) C 10H 20 G 100.000 5000.000 1523.52 1 + 4.86315535E+01 1.45358503E-01-6.02695778E-05 1.09681376E-08-7.43337390E-13 2 +-4.31234934E+04-2.02791872E+02-1.06125216E+01 3.00903849E-01-2.13413719E-04 3 + 7.79814730E-08-1.17398088E-11-2.50715978E+04 1.07969652E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C9H17LR(65) C 9H 17 G 100.000 5000.000 1391.85 1 + 6.32706558E+01 2.38340487E-01-1.01906293E-04 1.89140862E-08-1.30109633E-12 2 +-5.85099430E+04-2.56016962E+02-1.79729619E+01 4.71824309E-01-3.53532341E-04 3 + 1.39437628E-07-2.29491791E-11-3.58941561E+04 1.62798420E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cs_S) +C9H17LR(66) C 9H 17 G 100.000 5000.000 1460.67 1 + 7.19982941E+01 2.24242474E-01-9.42211495E-05 1.73116207E-08-1.18223052E-12 2 +-6.12543366E+04-3.05078711E+02-1.87004565E+01 4.72621605E-01-3.49291611E-04 3 + 1.33730313E-07-2.11080655E-11-3.47585087E+04 1.66854421E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cs_S) +C9H17LR(67) C 9H 17 G 100.000 5000.000 1460.67 1 + 7.19982941E+01 2.24242474E-01-9.42211495E-05 1.73116207E-08-1.18223052E-12 2 +-6.12543366E+04-3.05078711E+02-1.87004565E+01 4.72621605E-01-3.49291611E-04 3 + 1.33730313E-07-2.11080655E-11-3.47585087E+04 1.66854421E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cs_S) +C9H17LR(68) C 9H 17 G 100.000 5000.000 1460.67 1 + 7.19982941E+01 2.24242474E-01-9.42211495E-05 1.73116207E-08-1.18223052E-12 2 +-6.12543366E+04-3.05078711E+02-1.87004565E+01 4.72621605E-01-3.49291611E-04 3 + 1.33730313E-07-2.11080655E-11-3.47585087E+04 1.66854421E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C9H17LR(69) C 9H 17 G 100.000 5000.000 1391.85 1 + 6.32706558E+01 2.38340487E-01-1.01906293E-04 1.89140862E-08-1.30109633E-12 2 +-5.85099430E+04-2.56016962E+02-1.79729619E+01 4.71824309E-01-3.53532341E-04 3 + 1.39437628E-07-2.29491791E-11-3.58941561E+04 1.62798420E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Isobutyl) +C9H17LR(70) C 9H 17 G 100.000 5000.000 1430.10 1 + 7.27036152E+01 2.21748665E-01-9.18410684E-05 1.67782644E-08-1.14345944E-12 2 +-5.97403393E+04-3.08286691E+02-1.91398090E+01 4.78637158E-01-3.61287541E-04 3 + 1.42386419E-07-2.31015432E-11-3.34714644E+04 1.67660575E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Isobutyl) +C9H17LR(71) C 9H 17 G 100.000 5000.000 1430.10 1 + 7.27036152E+01 2.21748665E-01-9.18410684E-05 1.67782644E-08-1.14345944E-12 2 +-5.97403393E+04-3.08286691E+02-1.91398090E+01 4.78637158E-01-3.61287541E-04 3 + 1.42386419E-07-2.31015432E-11-3.34714644E+04 1.67660575E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C9H17LR(72) C 9H 17 G 100.000 5000.000 1391.85 1 + 6.32706558E+01 2.38340487E-01-1.01906293E-04 1.89140862E-08-1.30109633E-12 2 +-5.85099430E+04-2.56016962E+02-1.79729619E+01 4.71824309E-01-3.53532341E-04 3 + 1.39437628E-07-2.29491791E-11-3.58941561E+04 1.62798420E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Isobutyl) +C9H17LR(73) C 9H 17 G 100.000 5000.000 1430.10 1 + 7.27036152E+01 2.21748665E-01-9.18410684E-05 1.67782644E-08-1.14345944E-12 2 +-5.97403393E+04-3.08286691E+02-1.91398090E+01 4.78637158E-01-3.61287541E-04 3 + 1.42386419E-07-2.31015432E-11-3.34714644E+04 1.67660575E+02 4 + +! Thermo library: DFT_QCI_thermo +CH3(74) C 1H 3 G 100.000 5000.000 660.46 1 + 3.22169532E+00 5.22646123E-03-1.64124874E-06 2.58224556E-10-1.62579368E-14 2 + 1.65213100E+04 3.53938346E+00 3.94800490E+00 8.27599092E-04 8.34931957E-06 3 +-9.82634852E-09 3.80104045E-12 1.64253714E+04 3.36654899E-01 4 + +! Thermo library: primaryThermoLibrary +C(75) C 1H 4 G 100.000 5000.000 1084.12 1 + 9.08278561E-01 1.14540647E-02-4.57172635E-06 8.29188900E-10-5.66312625E-14 2 +-9.71998006E+03 1.39930217E+01 4.20541301E+00-5.35554796E-03 2.51122401E-05 3 +-2.13761779E-08 5.97519672E-12-1.01619432E+04-9.21271252E-01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cs_S) +C10H20L(76) C 10H 20 G 100.000 5000.000 1523.52 1 + 4.86315535E+01 1.45358503E-01-6.02695778E-05 1.09681376E-08-7.43337390E-13 2 +-4.31234934E+04-2.02791872E+02-1.06125216E+01 3.00903849E-01-2.13413719E-04 3 + 7.79814730E-08-1.17398088E-11-2.50715978E+04 1.07969652E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_T) +C5H8L(77) C 5H 8 G 100.000 5000.000 1601.46 1 + 4.23882656E+01 1.00590274E-01-4.02047684E-05 7.15630533E-09-4.77527232E-13 2 +-2.01737155E+04-1.81426183E+02-7.42917055E+00 2.25020390E-01-1.56751717E-04 3 + 5.56732885E-08-8.05139883E-12-4.21759796E+03 8.23739357E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + radical(Allyl_P) +C3H4R(78) C 3H 4 G 100.000 5000.000 1617.17 1 + 4.26862363E+01 8.16269168E-02-3.20789189E-05 5.66174589E-09-3.75757549E-13 2 +-1.11768129E+04-1.84381803E+02-6.66621560E+00 2.03694766E-01-1.45299431E-04 3 + 5.23348216E-08-7.59080173E-12 4.78588016E+03 7.74392091E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) +C4H6R(79) C 4H 6 G 100.000 5000.000 1546.08 1 + 4.08763064E+01 9.43104971E-02-3.81431717E-05 6.85603806E-09-4.61216850E-13 2 +-1.47116486E+04-1.72484867E+02-7.00666109E+00 2.18193748E-01-1.58335126E-04 3 + 5.86829916E-08-8.84166482E-12 9.44115568E+01 7.93860812E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Tertalkyl) +C[C]1CC1R(80) C 4H 6 G 100.000 5000.000 1677.66 1 + 4.32694628E+01 8.94628905E-02-3.52676167E-05 6.20879235E-09-4.10273142E-13 2 +-7.32836306E+03-1.87616915E+02-6.87875301E+00 2.09030442E-01-1.42173709E-04 3 + 4.86911936E-08-6.74090305E-12 9.49789798E+03 8.02657143E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +C4H7R(81) C 4H 7 G 100.000 5000.000 1542.75 1 + 3.76063799E+01 1.01870887E-01-4.19662215E-05 7.60921443E-09-5.14337475E-13 2 +-3.17976825E+04-1.54872490E+02-6.63876271E+00 2.16588254E-01-1.53504519E-04 3 + 5.58080264E-08-8.32485702E-12-1.81458166E+04 7.77680482E+01 4 + +! Thermo library: primaryThermoLibrary +H(82) H 1 G 100.000 5000.000 4561.14 1 + 2.50001921E+00-1.64942466E-08 5.30954718E-12-7.59275309E-16 4.06972192E-20 2 + 2.54741999E+04-4.45095101E-01 2.50000000E+00-2.06855000E-14 2.66266370E-17 3 +-1.11497399E-20 1.43541790E-24 2.54742178E+04-4.44972896E-01 4 + +! Thermo library: primaryThermoLibrary +[H][H](83) H 2 G 100.000 5000.000 1959.07 1 + 2.78817312E+00 5.87631468E-04 1.59014852E-07-5.52747927E-11 4.34317472E-15 2 +-5.96148572E+02 1.12689431E-01 3.43536405E+00 2.12710960E-04-2.78626417E-07 3 + 3.40268245E-10-7.76034667E-14-1.03135984E+03-3.90841705E+00 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) +! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +C5H9L(84) C 5H 9 G 100.000 5000.000 1560.08 1 + 4.15747769E+01 1.05080059E-01-4.28066831E-05 7.71413382E-09-5.19333133E-13 2 +-3.61498735E+04-1.74820688E+02-7.51322850E+00 2.30941265E-01-1.63821810E-04 3 + 5.94277508E-08-8.80641131E-12-2.08337497E+04 8.38314376E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + radical(Isobutyl) +C7H15(85) C 7H 15 G 100.000 5000.000 1038.88 1 + 1.29721091E+01 4.54907462E-02-1.71882902E-05 3.06426502E-09-2.09450660E-13 2 +-6.37556447E+03-3.75046223E+01 2.13908678E-01 7.18061257E-02-2.22529724E-05 3 +-1.48182031E-08 9.17930038E-12-2.49394764E+03 3.04565124E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) +C3H5L(86) C 3H 5 G 100.000 5000.000 1622.86 1 + 3.96068401E+01 8.88860835E-02-3.57370036E-05 6.37739500E-09-4.25852434E-13 2 +-2.83511716E+04-1.67857564E+02-6.28921156E+00 2.02012109E-01-1.40300717E-04 3 + 4.93327143E-08-7.04320343E-12-1.34548820E+04 7.57858915E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) +CC(C)CC(C)C(87) C 7H 16 G 100.000 5000.000 1058.23 1 + 1.34326009E+01 4.84570962E-02-1.90871781E-05 3.49346215E-09-2.42556546E-13 2 +-3.15482438E+04-4.47651915E+01 1.91163226E-01 7.01352878E-02-9.59752450E-06 3 +-2.78212306E-08 1.31408798E-11-2.71570629E+04 2.73728430E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! ring(Cyclopropane) + radical(cyclopropane) +RC1[CH]C1(88) C 3H 4 G 100.000 5000.000 1151.07 1 + 3.33919151E+01 9.46269399E-02-3.87084097E-05 7.15379941E-09-4.95928376E-13 2 + 6.30083748E+03-1.31815947E+02-5.78465261E+00 1.86158798E-01-9.98571637E-05 3 + 8.90258332E-09 6.43628048E-12 1.82750317E+04 7.55368861E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) +C5H8L(89) C 5H 8 G 100.000 5000.000 1594.20 1 + 4.69357996E+01 9.39760724E-02-3.69605026E-05 6.53422234E-09-4.34548893E-13 2 +-1.93804483E+04-2.04314770E+02-8.07693036E+00 2.32008430E-01-1.66836795E-04 3 + 6.08462906E-08-8.95169441E-12-1.84021061E+03 8.67461854E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_T) +C6H10R(90) C 6H 10 G 100.000 5000.000 1577.55 1 + 4.30521565E+01 1.09286748E-01-4.41236445E-05 7.90355110E-09-5.29812297E-13 2 +-2.31566630E+04-1.82854022E+02-7.96494702E+00 2.38644237E-01-1.67121808E-04 3 + 5.98819811E-08-8.76699986E-12-7.06021677E+03 8.65314585E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- +! Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) +C4H5L(91) C 4H 5 G 100.000 5000.000 1202.61 1 + 3.92568879E+01 9.24026354E-02-3.70827523E-05 6.75722158E-09-4.63497728E-13 2 +-1.64497691E+04-1.62808037E+02-7.05652185E+00 2.12585949E-01-1.44752777E-04 3 + 4.30319946E-08-3.13736874E-12-2.86188191E+03 7.93519034E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) +! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- +! CdsHH) + radical(Allyl_S) +C6H9L2(92) C 6H 9 G 100.000 5000.000 1509.91 1 + 7.23290017E+01 1.88932694E-01-7.80037968E-05 1.41889135E-08-9.62233073E-13 2 +-4.54511146E+04-3.16204367E+02-1.70523038E+01 4.25719677E-01-3.13237868E-04 3 + 1.18051733E-07-1.81591762E-11-1.84597060E+04 1.51837883E+02 4 + +! Thermo library: DFT_QCI_thermo +C[CH]CC(93) C 4H 9 G 100.000 5000.000 1083.85 1 + 6.12705092E+00 2.82085259E-02-1.13016302E-05 2.07329731E-09-1.43449797E-13 2 + 4.72407282E+03-4.53130119E+00 2.48181165E+00 2.70987649E-02 1.03882077E-05 3 +-2.36643859E-08 8.65252146E-12 6.36961909E+03 1.72943401E+01 4 + +! Thermo library: DFT_QCI_thermo +C[CH]C(94) C 3H 7 G 100.000 5000.000 1029.98 1 + 4.36587086E+00 2.14398704E-02-8.48554072E-06 1.56800604E-09-1.09812131E-13 2 + 8.03954671E+03 2.70031117E+00 3.23517657E+00 1.11017098E-02 2.80210079E-05 3 +-3.59453905E-08 1.23655265E-11 9.05375594E+03 1.19813906E+01 4 + +! Thermo library: DFT_QCI_thermo +CCC(95) C 3H 8 G 100.000 5000.000 990.00 1 + 5.60447662E+00 2.19527487E-02-8.22073118E-06 1.50102222E-09-1.05633888E-13 2 +-1.58394358E+04-6.22666189E+00 3.06334227E+00 1.29216894E-02 3.47024469E-05 3 +-4.70935143E-08 1.71379380E-11-1.43905780E+04 1.07836285E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) +! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_S) +C5H8L(96) C 5H 8 G 100.000 5000.000 1633.63 1 + 4.55080988E+01 9.64889711E-02-3.85348271E-05 6.84821621E-09-4.55954447E-13 2 +-1.93909644E+04-1.97870777E+02-7.68519665E+00 2.26734045E-01-1.58125411E-04 3 + 5.56516237E-08-7.92447488E-12-2.01125653E+03 8.48638654E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) +C7H11LR(97) C 7H 11 G 100.000 5000.000 1499.26 1 + 7.30957065E+01 1.97507231E-01-8.18720734E-05 1.49273655E-08-1.01397460E-12 2 +-4.84980580E+04-3.18249121E+02-1.76043759E+01 4.39493522E-01-3.23977827E-04 3 + 1.22583044E-07-1.89654455E-11-2.13014596E+04 1.56057300E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) +! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +C6H11R(98) C 6H 11 G 100.000 5000.000 1538.01 1 + 4.22750830E+01 1.13740300E-01-4.67141669E-05 8.46020096E-09-5.71608942E-13 2 +-3.91583501E+04-1.76472169E+02-8.05769744E+00 2.44644059E-01-1.74382911E-04 3 + 6.37996120E-08-9.56691094E-12-2.36758992E+04 8.80220864E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) +! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C6H9LR(99) C 6H 9 G 100.000 5000.000 1406.10 1 + 5.84314024E+01 2.11113350E-01-9.04274332E-05 1.67930805E-08-1.15517132E-12 2 +-3.36486804E+04-2.33753235E+02-1.57128536E+01 4.22037250E-01-3.15439258E-04 3 + 1.23477838E-07-2.01235702E-11-1.27980487E+04 1.49219012E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! group(Cds-CdsHH) + radical(Allyl_S) +C7H9LR(100) C 7H 9 G 100.000 5000.000 1505.57 1 + 7.31595925E+01 1.91621995E-01-7.94601354E-05 1.44890057E-08-9.84095914E-13 2 +-3.38353104E+04-3.17488975E+02-1.73064689E+01 4.31966551E-01-3.18909761E-04 3 + 1.20514795E-07-1.85892625E-11-6.59405836E+03 1.55975790E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- +! CdsHH) + radical(RCCJCC) +CC(L)C[CH]L(101) C 4H 7 G 100.000 5000.000 1445.46 1 + 5.82323205E+01 1.97288637E-01-8.35006602E-05 1.53963176E-08-1.05374327E-12 2 +-4.11999866E+04-2.37279273E+02-1.49372844E+01 3.99767772E-01-2.93617621E-04 3 + 1.12304272E-07-1.78143220E-11-2.00470275E+04 1.42680210E+02 4 + +! Thermo library: DFT_QCI_thermo +C3H5(102) C 3H 5 G 100.000 5000.000 942.19 1 + 8.06879734E+00 1.01833680E-02-2.84777615E-06 5.00839348E-10-3.79594393E-14 2 + 1.69146147E+04-1.95280963E+01 3.29609384E+00 5.79287479E-03 4.33896783E-05 3 +-5.99857602E-08 2.33800081E-11 1.89082169E+04 9.02012687E+00 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) +C6H10L(103) C 6H 10 G 100.000 5000.000 1532.13 1 + 4.52170097E+01 1.06543786E-01-4.29724403E-05 7.71847092E-09-5.19310898E-13 2 +-2.29690207E+04-1.92959095E+02-8.42686039E+00 2.46594475E-01-1.80086396E-04 3 + 6.73801617E-08-1.02544177E-11-6.53117340E+03 8.87291093E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) +C5H7L(104) C 5H 7 G 100.000 5000.000 1521.94 1 + 4.48175384E+01 9.39010236E-02-3.72171843E-05 6.63649644E-09-4.45042096E-13 2 +-2.34033008E+04-1.93495439E+02-7.91047958E+00 2.32481973E-01-1.73800259E-04 3 + 6.64649423E-08-1.02726953E-11-7.35351105E+03 8.30318350E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C6H9R(105) C 6H 9 G 100.000 5000.000 1590.42 1 + 4.60365286E+01 1.01961297E-01-4.10324940E-05 7.34167468E-09-4.91711153E-13 2 +-2.36938595E+04-1.96208293E+02-8.14538326E+00 2.38231885E-01-1.69555597E-04 3 + 6.12154929E-08-8.96019333E-12-6.45944603E+03 9.03284623E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) +! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) +C7H11L2(106) C 7H 11 G 100.000 5000.000 1474.00 1 + 7.07714902E+01 2.01350075E-01-8.39753265E-05 1.53710386E-08-1.04725580E-12 2 +-4.91562442E+04-3.05846186E+02-1.74521315E+01 4.40763701E-01-3.27612814E-04 3 + 1.25564758E-07-1.97368918E-11-2.31480088E+04 1.54010473E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +C6H11L(107) C 6H 11 G 100.000 5000.000 1527.76 1 + 4.19190520E+01 1.14150632E-01-4.68217907E-05 8.47777542E-09-5.72934512E-13 2 +-4.00429130E+04-1.75188194E+02-8.06129866E+00 2.45009393E-01-1.75302398E-04 3 + 6.45425185E-08-9.74724344E-12-2.47712695E+04 8.71200648E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) +C7H12R(108) C 7H 12 G 100.000 5000.000 1513.85 1 + 4.59853455E+01 1.15107211E-01-4.68311918E-05 8.45417368E-09-5.70795050E-13 2 +-2.60133365E+04-1.95006946E+02-8.97408625E+00 2.60324138E-01-1.90718842E-04 3 + 7.18188585E-08-1.10349053E-11-9.37318742E+03 9.29300752E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) +! + radical(Tertalkyl) +C7H12R(109) C 7H 12 G 100.000 5000.000 1621.91 1 + 4.76000719E+01 1.11495896E-01-4.46275323E-05 7.94370489E-09-5.29655936E-13 2 +-1.79807363E+04-2.05694056E+02-8.75303325E+00 2.50473773E-01-1.73157608E-04 3 + 6.07737928E-08-8.67274476E-12 2.99424706E+02 9.34304178E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds- +! Cds(Cds-Cds)H) + group(Cds-CdsHH) +C6H10(110) C 6H 10 G 100.000 5000.000 1023.19 1 + 1.24480301E+01 2.94414962E-02-1.12019207E-05 2.03342668E-09-1.41510457E-13 2 +-8.35565333E+02-3.93998064E+01 1.14011395E+00 5.31090461E-02-1.57885048E-05 3 +-1.45965712E-08 8.71519560E-12 2.55359686E+03 2.06674104E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C6H9R(111) C 6H 9 G 100.000 5000.000 1584.59 1 + 4.74581296E+01 9.96063557E-02-3.96166839E-05 7.04981702E-09-4.70839326E-13 2 +-2.37711356E+04-2.06728399E+02-8.39552643E+00 2.40598401E-01-1.73082142E-04 3 + 6.32012227E-08-9.32981795E-12-6.07010347E+03 8.84440887E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_T) +C8H14L(112) C 8H 14 G 100.000 5000.000 1559.63 1 + 4.69575930E+01 1.22330194E-01-4.94371073E-05 8.86764449E-09-5.95337405E-13 2 +-3.05689692E+04-2.00929035E+02-9.32838229E+00 2.66689366E-01-1.88278779E-04 3 + 6.82165572E-08-1.01087639E-11-1.30121435E+04 9.56337353E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)H) + group(Cds- +! Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CC=CCJ) +C6H9(113) C 6H 9 G 100.000 5000.000 965.66 1 + 1.28508180E+01 2.59267182E-02-8.99835414E-06 1.59787198E-09-1.12287613E-13 2 + 1.29996083E+04-4.04076437E+01 1.45430192E+00 4.38196386E-02 8.74269289E-06 3 +-4.20860694E-08 1.93355023E-11 1.65674203E+04 2.12526341E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) +! + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl) +C6H9(114) C 6H 9 G 100.000 5000.000 974.14 1 + 1.16266301E+01 2.76565377E-02-1.01259880E-05 1.93056321E-09-1.43342141E-13 2 + 9.24692046E+03-3.99968031E+01 2.32236037E+00 1.78606161E-02 7.88707001E-05 3 +-1.09558747E-07 4.14503650E-11 1.33371803E+04 1.63370754E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + ring(Cyclopentene) + ring(Cyclopentene) +C12H18(115) C 12H 18 G 100.000 5000.000 982.68 1 + 2.58537483E+01 5.42751926E-02-2.04232601E-05 3.93295701E-09-2.92474477E-13 2 +-8.88934905E+03-1.14148907E+02-9.06266139E-01 7.00284850E-02 9.77540966E-05 3 +-1.72727837E-07 6.91981927E-11 8.68634248E+02 3.73750203E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) +! + group(Cds-CdsCsH) + ring(Cyclopentene) +C6H10(116) C 6H 10 G 100.000 5000.000 978.05 1 + 1.15904641E+01 3.01308647E-02-1.11359205E-05 2.10398666E-09-1.54285955E-13 2 +-6.00680629E+03-3.84890689E+01 2.11758117E+00 2.31619608E-02 6.96574775E-05 3 +-1.00753225E-07 3.83518295E-11-1.96752133E+03 1.81787044E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + ring(Cyclopentene) + ring(Cyclopentene) +C12H18(117) C 12H 18 G 100.000 5000.000 984.99 1 + 2.34227201E+01 5.70666034E-02-2.14134270E-05 4.04326449E-09-2.95019522E-13 2 +-8.63092160E+03-9.97441357E+01-9.10744148E-01 7.46988053E-02 7.53684487E-05 3 +-1.45139453E-07 5.88073709E-11 1.01018910E+02 3.72743169E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds- +! Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) +C6H8(118) C 6H 8 G 100.000 5000.000 962.95 1 + 1.33073959E+01 2.19368852E-02-7.42913585E-06 1.40172877E-09-1.05669590E-13 2 + 5.79963923E+03-4.79626161E+01 2.15945066E+00 2.20893500E-02 6.42297363E-05 3 +-9.79840758E-08 3.86193478E-11 1.00865330E+04 1.65101316E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) +C10H14L(119) C 10H 14 G 100.000 5000.000 1495.48 1 + 5.23728251E+01 1.22393618E-01-4.96909462E-05 8.97610017E-09-6.06868933E-13 2 +-9.56069375E+03-2.25478260E+02-1.05880117E+01 2.90797539E-01-2.18604763E-04 3 + 8.42762141E-08-1.31948870E-11 9.27053982E+03 1.03609459E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +C7H13R(120) C 7H 13 G 100.000 5000.000 1507.76 1 + 4.26488805E+01 1.22778875E-01-5.07176307E-05 9.22218519E-09-6.25137273E-13 2 +-4.30709374E+04-1.77019000E+02-8.61227604E+00 2.58772114E-01-1.86011308E-04 3 + 6.90433914E-08-1.05440507E-11-2.76130738E+04 9.13354312E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) +C10H14L(121) C 10H 14 G 100.000 5000.000 1495.48 1 + 5.23728251E+01 1.22393618E-01-4.96909462E-05 8.97610017E-09-6.06868933E-13 2 +-9.38456711E+03-2.25634258E+02-1.05880117E+01 2.90797539E-01-2.18604763E-04 3 + 8.42762141E-08-1.31948870E-11 9.44666646E+03 1.03453461E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C9H14L(122) C 9H 14 G 100.000 5000.000 1346.86 1 + 3.81588751E+01 1.41159135E-01-6.02969218E-05 1.12042373E-08-7.72211401E-13 2 +-9.64571507E+03-1.44742023E+02-9.04223204E+00 2.81341094E-01-2.16418642E-04 3 + 8.84815507E-08-1.51162673E-11 3.06887128E+03 9.70311285E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds- +! Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(Allyl_T) +C6H7(123) C 6H 7 G 100.000 5000.000 963.17 1 + 1.11737556E+01 2.27046249E-02-7.83542343E-06 1.44541622E-09-1.05964395E-13 2 + 2.31333127E+04-3.92489141E+01 2.34714354E+00 2.10575107E-02 5.43826228E-05 3 +-8.29089667E-08 3.25062219E-11 2.66103109E+04 1.22263534E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(RCCJCC) +C5H9LR(124) C 5H 9 G 100.000 5000.000 1434.27 1 + 5.90142172E+01 2.05865834E-01-8.73812972E-05 1.61394478E-08-1.10597737E-12 2 +-4.42643583E+04-2.39430112E+02-1.55052599E+01 4.13689401E-01-3.04727000E-04 3 + 1.17163504E-07-1.87147796E-11-2.28879474E+04 1.46959886E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) +C6H8(125) C 6H 8 G 100.000 5000.000 962.95 1 + 1.33074613E+01 2.19367727E-02-7.42907043E-06 1.40171323E-09-1.05668295E-13 2 + 5.97573878E+03-4.81189815E+01 2.15943197E+00 2.20895778E-02 6.42289069E-05 3 +-9.79829573E-08 3.86188530E-11 1.02626604E+04 1.63542003E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl) +C7H11(126) C 7H 11 G 100.000 5000.000 974.77 1 + 1.40205617E+01 3.31707499E-02-1.20972427E-05 2.28317690E-09-1.68048100E-13 2 + 4.58684111E+03-5.23716732E+01 1.64178432E+00 3.04027633E-02 7.45883732E-05 3 +-1.13375755E-07 4.39529550E-11 9.54494466E+03 2.00858024E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ) +C7H11(127) C 7H 11 G 100.000 5000.000 1011.64 1 + 1.32525188E+01 3.50663898E-02-1.32012045E-05 2.37832209E-09-1.64861385E-13 2 + 8.65365784E+03-4.12150901E+01 7.55848417E-01 5.99969458E-02-1.38676893E-05 3 +-2.11034909E-08 1.15495134E-11 1.24347903E+04 2.54102146E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) +C8H13LR(128) C 8H 13 G 100.000 5000.000 1464.21 1 + 7.15635782E+01 2.09898576E-01-8.78350706E-05 1.61085255E-08-1.09897962E-12 2 +-5.22204810E+04-3.08046133E+02-1.80116946E+01 4.54607381E-01-3.38528137E-04 3 + 1.30252379E-07-2.05881793E-11-2.59893710E+04 1.58258253E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) +C8H11LR(129) C 8H 11 G 100.000 5000.000 1497.66 1 + 7.42153730E+01 1.98672110E-01-8.18545556E-05 1.48800742E-08-1.00916500E-12 2 +-3.90935997E+04-3.22225410E+02-1.79483170E+01 4.44821159E-01-3.28383399E-04 3 + 1.24617507E-07-1.93269569E-11-1.14870880E+04 1.59638185E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) +C7H10L(130) C 7H 10 G 100.000 5000.000 1593.18 1 + 4.79689964E+01 1.06330697E-01-4.29667230E-05 7.70068016E-09-5.16162636E-13 2 +-1.03710937E+04-2.06252691E+02-8.65531391E+00 2.48497273E-01-1.76818257E-04 3 + 6.37108230E-08-9.30519932E-12 7.67147359E+03 9.32987024E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_T) +C6H10L(131) C 6H 10 G 100.000 5000.000 1612.05 1 + 4.63421917E+01 1.03840182E-01-4.10745917E-05 7.26908079E-09-4.83227622E-13 2 +-2.45264616E+04-2.01304868E+02-8.31284910E+00 2.39455597E-01-1.67262911E-04 3 + 5.94542070E-08-8.57615397E-12-6.90502235E+03 8.84725896E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C9H14L(132) C 9H 14 G 100.000 5000.000 1346.86 1 + 3.81588751E+01 1.41159135E-01-6.02969218E-05 1.12042373E-08-7.72211401E-13 2 +-9.46958843E+03-1.44898021E+02-9.04223204E+00 2.81341094E-01-2.16418642E-04 3 + 8.84815507E-08-1.51162673E-11 3.24499792E+03 9.68751306E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C6H8R2(133) C 6H 8 G 100.000 5000.000 1501.37 1 + 7.28197778E+01 1.84640162E-01-7.59742187E-05 1.38080927E-08-9.36402016E-13 2 +-4.73198683E+04-3.21266057E+02-1.70458284E+01 4.24064448E-01-3.15181371E-04 3 + 1.20025967E-07-1.86233262E-11-2.03357146E+04 1.48802450E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) +C8H11LR(134) C 8H 11 G 100.000 5000.000 1470.25 1 + 7.16120478E+01 2.04029187E-01-8.54283445E-05 1.56707602E-08-1.06911245E-12 2 +-3.75472464E+04-3.07191758E+02-1.77092258E+01 4.47037851E-01-3.33353090E-04 3 + 1.28088662E-07-2.01844664E-11-1.12822079E+04 1.58159474E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- +! CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- +! Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) +C11H16L(135) C 11H 16 G 100.000 5000.000 1485.10 1 + 5.34727415E+01 1.29375538E-01-5.20486529E-05 9.35892331E-09-6.31279682E-13 2 +-1.48400746E+04-2.30467907E+02-1.12291342E+01 3.03646897E-01-2.28070443E-04 3 + 8.83766131E-08-1.39331740E-11 4.37746173E+03 1.07268953E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- +! Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) +C11H16L(136) C 11H 16 G 100.000 5000.000 1485.10 1 + 5.34727415E+01 1.29375538E-01-5.20486529E-05 9.35892331E-09-6.31279682E-13 2 +-1.46639480E+04-2.30623905E+02-1.12291342E+01 3.03646897E-01-2.28070443E-04 3 + 8.83766131E-08-1.39331740E-11 4.55358837E+03 1.07112955E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C10H16R(137) C 10H 16 G 100.000 5000.000 1334.86 1 + 3.90329339E+01 1.49615226E-01-6.41215731E-05 1.19364359E-08-8.23677255E-13 2 +-1.27620533E+04-1.47436821E+02-9.62725878E+00 2.95429574E-01-2.27975918E-04 3 + 9.37703163E-08-1.61500575E-11 2.28790976E+02 1.01374587E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(RCCJCC) +C5H9LR(138) C 5H 9 G 100.000 5000.000 1434.27 1 + 5.90142172E+01 2.05865834E-01-8.73812972E-05 1.61394478E-08-1.10597737E-12 2 +-4.42643583E+04-2.39430112E+02-1.55052599E+01 4.13689401E-01-3.04727000E-04 3 + 1.17163504E-07-1.87147796E-11-2.28879474E+04 1.46959886E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! group(Cds-CdsHH) + radical(Tertalkyl) +C6H10L(139) C 6H 10 G 100.000 5000.000 1426.13 1 + 3.26722211E+01 1.26527801E-01-5.42423493E-05 1.00616145E-08-6.91006323E-13 2 +-9.84472139E+03-1.19129285E+02-6.97114774E+00 2.37717304E-01-1.71189136E-04 3 + 6.47292488E-08-1.02740515E-11 1.46279701E+03 8.61997392E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C10H16R(140) C 10H 16 G 100.000 5000.000 1334.82 1 + 3.90325964E+01 1.49615802E-01-6.41219064E-05 1.19365148E-08-8.23683819E-13 2 +-1.25857860E+04-1.47590922E+02-9.62729428E+00 2.95429897E-01-2.27976701E-04 3 + 9.37709861E-08-1.61502433E-11 4.04919502E+02 1.01218725E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) +C8H12L(141) C 8H 12 G 100.000 5000.000 1575.52 1 + 4.88850867E+01 1.13571731E-01-4.54537772E-05 8.11081958E-09-5.42647441E-13 2 +-1.55525917E+04-2.10169439E+02-9.28774775E+00 2.61263026E-01-1.86065277E-04 3 + 6.76090794E-08-9.98366826E-12 2.77796007E+03 9.69255665E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) +C9H13LR(142) C 9H 13 G 100.000 5000.000 1463.47 1 + 7.27144077E+01 2.11014178E-01-8.77905578E-05 1.60550908E-08-1.09367449E-12 2 +-4.28304712E+04-3.12200388E+02-1.83545186E+01 4.59925774E-01-3.42914554E-04 3 + 1.32273512E-07-2.09468463E-11-1.61750658E+04 1.61834790E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) +! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C7H11LR(143) C 7H 11 G 100.000 5000.000 1366.60 1 + 5.71234057E+01 2.23272346E-01-9.63136794E-05 1.79655011E-08-1.24001440E-12 2 +-3.75217448E+04-2.24918181E+02-1.61970597E+01 4.37881904E-01-3.31875106E-04 3 + 1.32880515E-07-2.22623342E-11-1.74820385E+04 1.51709671E+02 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds- +! Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + +! group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cs_S) +C6H9LR(144) C 6H 9 G 100.000 5000.000 1639.17 1 + 8.68758316E+01 1.67384393E-01-6.67853618E-05 1.18689475E-08-7.90100066E-13 2 +-4.43597602E+04-4.03211396E+02-1.81844923E+01 4.23758366E-01-3.01392056E-04 3 + 1.07285638E-07-1.53426656E-11-9.91735083E+03 1.55563891E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_P) +C6H9L2(145) C 6H 9 G 100.000 5000.000 1494.75 1 + 7.42651992E+01 1.85696898E-01-7.60656698E-05 1.37975249E-08-9.34912962E-13 2 +-4.53065748E+04-3.30241912E+02-1.74614688E+01 4.31163492E-01-3.22397447E-04 3 + 1.23664196E-07-1.93105651E-11-1.78852251E+04 1.49155466E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C7H11R2(146) C 7H 11 G 100.000 5000.000 1396.30 1 + 5.92438387E+01 2.19654288E-01-9.42932172E-05 1.75336995E-08-1.20725710E-12 2 +-3.67317819E+04-2.36087130E+02-1.62884779E+01 4.36032317E-01-3.26740666E-04 3 + 1.28516043E-07-2.10780073E-11-1.56385836E+04 1.53527434E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! group(Cds-CdsHH) + radical(Allyl_P) +C3H4L(147) C 3H 4 G 100.000 5000.000 1574.27 1 + 4.19518086E+01 8.29041870E-02-3.27292620E-05 5.80549667E-09-3.87209650E-13 2 +-1.09016187E+04-1.81017153E+02-6.71700861E+00 2.06566688E-01-1.50559438E-04 3 + 5.57045735E-08-8.31148872E-12 4.42172509E+03 7.58665365E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cs_S) +C7H9LR(148) C 7H 9 G 100.000 5000.000 1231.33 1 + 7.18406956E+01 1.90679269E-01-7.75570670E-05 1.41826528E-08-9.72489773E-13 2 +-3.42030523E+04-3.12431650E+02-1.75415672E+01 4.12909522E-01-2.65281881E-04 3 + 7.08857194E-08-3.36185704E-12-7.02638292E+03 1.58358714E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! ring(Cyclopropane) + radical(Tertalkyl) +L[C]1CC1(149) C 3H 4 G 100.000 5000.000 1685.03 1 + 4.01559263E+01 8.49301161E-02-3.37777931E-05 5.97136371E-09-3.95439256E-13 2 +-2.15998264E+03-1.71713050E+02-6.05209622E+00 1.94620858E-01-1.31423653E-04 3 + 4.46040738E-08-6.12719644E-12 1.34123897E+04 7.53245007E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + +! group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + polycyclic(s3_5_5_ane) + +! radical(2-norbornyl) +C7H9LR(150) C 7H 9 G 100.000 5000.000 1210.88 1 + 6.87933891E+01 1.97123553E-01-8.14140762E-05 1.50252134E-08-1.03644816E-12 2 +-3.32171015E+04-3.05464744E+02-1.69802717E+01 4.00599868E-01-2.34536886E-04 3 + 4.48574793E-08 4.05069644E-12-6.58965220E+03 1.48933385E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! group(Cds-CdsHH) + ring(Cyclohexene) + radical(Cs_S) +C7H9LR(151) C 7H 9 G 100.000 5000.000 1649.95 1 + 8.69707212E+01 1.70295215E-01-6.75455990E-05 1.19555254E-08-7.93532660E-13 2 +-4.44419389E+04-4.03487615E+02-1.83133668E+01 4.25536131E-01-2.99588944E-04 3 + 1.05712896E-07-1.49995713E-11-9.69911045E+03 1.57168130E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! group(Cds-CdsHH) + radical(Allyl_S) +C7H9L2(152) C 7H 9 G 100.000 5000.000 1485.40 1 + 7.26899076E+01 1.92566257E-01-7.99621565E-05 1.46047290E-08-9.93636006E-13 2 +-3.37172865E+04-3.15005791E+02-1.73900850E+01 4.35142056E-01-3.24923675E-04 3 + 1.24547263E-07-1.94976048E-11-6.95647987E+03 1.55220792E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C7H12R(153) C 7H 12 G 100.000 5000.000 1406.20 1 + 3.34299144E+01 1.35154598E-01-5.81548588E-05 1.08128113E-08-7.43941748E-13 2 +-1.29021953E+04-1.21150066E+02-7.54745328E+00 2.51716243E-01-1.82491334E-04 3 + 6.97594321E-08-1.12236826E-11-1.37768627E+03 9.05109847E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + polycyclic(s3_4_6_ane) + +! radical(bicyclo[3.1.1]heptane-C2) +C7H9LR(154) C 7H 9 G 100.000 5000.000 1255.40 1 + 7.07846220E+01 1.94277815E-01-7.99183991E-05 1.46613840E-08-1.00532462E-12 2 +-2.98530904E+04-3.15892529E+02-1.72197799E+01 4.06008097E-01-2.50848725E-04 3 + 6.18583276E-08-1.72677567E-12-2.34549686E+03 1.50247582E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Tertalkyl) +CC[C](C)L(155) C 4H 8 G 100.000 5000.000 1457.31 1 + 2.99081782E+01 1.17037819E-01-4.99520207E-05 9.23274549E-09-6.32174453E-13 2 +-1.86730883E+04-1.08922880E+02-5.94694362E+00 2.15453287E-01-1.51251402E-04 3 + 5.55739915E-08-8.58204187E-12-8.22278178E+03 7.75597786E+01 4 + +! Thermo library: DFT_QCI_thermo +C4H7(156) C 4H 7 G 100.000 5000.000 959.24 1 + 9.15900791E+00 1.76137069E-02-5.93412855E-06 1.07300071E-09-7.76276457E-14 2 + 1.24900957E+04-2.37825759E+01 2.71573512E+00 1.74370364E-02 3.66329505E-05 3 +-5.79025427E-08 2.29528333E-11 1.49704918E+04 1.35200268E+01 4 + +! Thermo library: DFT_QCI_thermo +C4H8(157) C 4H 8 G 100.000 5000.000 1061.32 1 + 6.48662707E+00 2.49945576E-02-9.83292552E-06 1.79345487E-09-1.24010033E-13 2 +-5.62447990E+03-1.00310762E+01 2.52506663E+00 2.64750580E-02 7.08434400E-06 3 +-2.07740871E-08 8.00468445E-12-4.02607212E+03 1.28856593E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + +! radical(Tertalkyl) +C[C]1CC1(158) C 4H 7 G 100.000 5000.000 1002.20 1 + 5.32395695E+00 2.34978834E-02-9.10174422E-06 1.68911624E-09-1.19703327E-13 2 + 2.19497318E+04-2.76294733E+00 3.11404018E+00 1.12054114E-02 4.08960921E-05 3 +-5.25897787E-08 1.86637438E-11 2.34529734E+04 1.31932739E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(RCCJC) +C9H15(159) C 9H 15 G 100.000 5000.000 1040.92 1 + 1.37582247E+01 5.26150125E-02-2.09344106E-05 3.87939848E-09-2.72309480E-13 2 + 7.09348987E+03-4.21227684E+01 1.80278965E-01 6.73693055E-02 1.17306473E-05 3 +-5.15786450E-08 2.13420223E-11 1.19476047E+04 3.36659908E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) +! + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl) +C6H9(160) C 6H 9 G 100.000 5000.000 974.14 1 + 1.16266301E+01 2.76565377E-02-1.01259880E-05 1.93056321E-09-1.43342141E-13 2 + 9.24692046E+03-4.06899503E+01 2.32236037E+00 1.78606161E-02 7.88707001E-05 3 +-1.09558747E-07 4.14503650E-11 1.33371803E+04 1.56439283E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds- +! Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CC=CCJ) +C6H9(161) C 6H 9 G 100.000 5000.000 965.68 1 + 1.28510967E+01 2.59262393E-02-8.99807593E-06 1.59780591E-09-1.12282111E-13 2 + 1.31756193E+04-4.12583548E+01 1.45422324E+00 4.38205961E-02 8.73921362E-06 3 +-4.20813869E-08 1.93334356E-11 1.67435503E+04 2.04037692E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- +! CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) +C8H11L2(162) C 8H 11 G 100.000 5000.000 1478.21 1 + 7.37799475E+01 1.99566953E-01-8.23314320E-05 1.49904033E-08-1.01829018E-12 2 +-3.89933269E+04-3.19941328E+02-1.80334698E+01 4.48011909E-01-3.34438768E-04 3 + 1.28689827E-07-2.02475387E-11-1.18494356E+04 1.58888912E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! group(Cds-CdsHH) +C6H10(163) C 6H 10 G 100.000 5000.000 1029.51 1 + 1.11942090E+01 3.14218941E-02-1.24028523E-05 2.30466309E-09-1.62630970E-13 2 + 4.43828914E+03-3.01755166E+01 1.48891665E+00 4.41328285E-02 5.49889700E-06 3 +-3.28729863E-08 1.41070320E-11 7.76134868E+03 2.33629305E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) +C8H12L(164) C 8H 12 G 100.000 5000.000 1531.10 1 + 4.61267961E+01 1.19097479E-01-4.90892540E-05 8.91035115E-09-6.02990470E-13 2 +-1.39040554E+04-1.94195117E+02-9.01284110E+00 2.63148592E-01-1.90213163E-04 3 + 7.03575459E-08-1.06360824E-11 2.98094898E+03 9.53109683E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C6H8R2(165) C 6H 8 G 100.000 5000.000 1502.08 1 + 7.12740132E+01 1.87187010E-01-7.74933957E-05 1.41231769E-08-9.59129156E-13 2 +-4.71832447E+04-3.07718612E+02-1.67989488E+01 4.21724249E-01-3.11707089E-04 3 + 1.18074552E-07-1.82604580E-11-2.07248566E+04 1.53014613E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C9H14L(166) C 9H 14 G 100.000 5000.000 1346.86 1 + 3.81588751E+01 1.41159135E-01-6.02969218E-05 1.12042373E-08-7.72211401E-13 2 +-9.46958843E+03-1.44898021E+02-9.04223204E+00 2.81341094E-01-2.16418642E-04 3 + 8.84815507E-08-1.51162673E-11 3.24499792E+03 9.68751306E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) +C10H14L(167) C 10H 14 G 100.000 5000.000 1495.48 1 + 5.23728251E+01 1.22393618E-01-4.96909462E-05 8.97610017E-09-6.06868933E-13 2 +-9.38456711E+03-2.25634258E+02-1.05880117E+01 2.90797539E-01-2.18604763E-04 3 + 8.42762141E-08-1.31948870E-11 9.44666646E+03 1.03453461E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- +! Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) +C11H16L(168) C 11H 16 G 100.000 5000.000 1485.10 1 + 5.34727415E+01 1.29375538E-01-5.20486529E-05 9.35892331E-09-6.31279682E-13 2 +-1.46639480E+04-2.30623905E+02-1.12291342E+01 3.03646897E-01-2.28070443E-04 3 + 8.83766131E-08-1.39331740E-11 4.55358837E+03 1.07112955E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_T) +C6H10L(169) C 6H 10 G 100.000 5000.000 1529.80 1 + 4.04911446E+01 1.13439112E-01-4.63703563E-05 8.37545777E-09-5.65100569E-13 2 +-2.36792728E+04-1.69051442E+02-7.78696588E+00 2.39672865E-01-1.70145087E-04 3 + 6.23148402E-08-9.37987528E-12-8.90809851E+03 8.43873572E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) +! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) +! + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C6H9L2(170) C 6H 9 G 100.000 5000.000 1384.90 1 + 5.81897623E+01 2.11762078E-01-9.07943772E-05 1.68826818E-08-1.16289105E-12 2 +-3.36614265E+04-2.32619321E+02-1.58327151E+01 4.25560444E-01-3.22361241E-04 3 + 1.28354717E-07-2.12856124E-11-1.31586424E+04 1.48600268E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) +C6H10R(171) C 6H 10 G 100.000 5000.000 1573.62 1 + 4.76628260E+01 1.02575251E-01-4.08270920E-05 7.26974016E-09-4.85898462E-13 2 +-2.23936871E+04-2.06105035E+02-8.61089455E+00 2.45617513E-01-1.77176852E-04 3 + 6.50343534E-08-9.66289627E-12-4.68294027E+03 9.08966228E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + +! group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs- +! CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds- +! Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cs_S) +C7H11LR(172) C 7H 11 G 100.000 5000.000 1646.35 1 + 9.30363898E+01 1.68591445E-01-6.71528082E-05 1.19222893E-08-7.92916565E-13 2 +-5.11707860E+04-4.38129888E+02-1.93002260E+01 4.41526810E-01-3.15826337E-04 3 + 1.12619348E-07-1.60838951E-11-1.41817641E+04 1.59835801E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- +! CdsHH) +C5H8(173) C 5H 8 G 100.000 5000.000 972.32 1 + 1.12869585E+01 2.12415356E-02-7.50356283E-06 1.36179013E-09-9.72223411E-14 2 + 3.98422876E+03-3.40141560E+01 2.00726044E+00 3.28460799E-02 1.55848957E-05 3 +-4.25736996E-08 1.84255692E-11 7.04482003E+03 1.69534228E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- +! CdsHH) + radical(C=CC=CCJ) +C5H7(174) C 5H 7 G 100.000 5000.000 942.06 1 + 1.19107369E+01 1.73602909E-02-5.09246041E-06 8.77863236E-10-6.40277816E-14 2 + 1.78996358E+04-3.71210253E+01 2.29865578E+00 2.38040922E-02 3.93719563E-05 3 +-6.93151290E-08 2.88406859E-11 2.12357622E+04 1.67724689E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) +! + radical(Allyl_S) +C9H12L(175) C 9H 12 G 100.000 5000.000 1545.38 1 + 5.38832749E+01 1.10095545E-01-4.38028868E-05 7.81603886E-09-5.23813983E-13 2 +-5.85150672E+03-2.35600362E+02-1.02156849E+01 2.76003541E-01-2.04835901E-04 3 + 7.72832730E-08-1.17614862E-11 1.39603251E+04 1.01541645E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C8H12L(176) C 8H 12 G 100.000 5000.000 1405.78 1 + 3.93426893E+01 1.29195310E-01-5.45170272E-05 1.00559132E-08-6.89304960E-13 2 +-5.71470167E+03-1.52867099E+02-8.55842178E+00 2.65493527E-01-1.99951056E-04 3 + 7.90257778E-08-1.29547689E-11 7.75292237E+03 9.45426066E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C9H14R(177) C 9H 14 G 100.000 5000.000 1391.21 1 + 4.01789833E+01 1.37697249E-01-5.83609214E-05 1.07914600E-08-7.40975973E-13 2 +-8.80837504E+03-1.55336318E+02-9.13267484E+00 2.79476736E-01-2.11226062E-04 3 + 8.40437158E-08-1.39042770E-11 4.91231015E+03 9.88457471E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! ring(Cyclopentene) + radical(cyclopentene-allyl) +C5H7(178) C 5H 7 G 100.000 5000.000 958.30 1 + 1.06732302E+01 1.91104672E-02-6.23089372E-06 1.21294384E-09-9.52704457E-14 2 + 1.41532644E+04-3.66338422E+01 3.16106503E+00-2.07890212E-03 1.09184979E-04 3 +-1.36298100E-07 5.07057388E-11 1.80057603E+04 1.18765966E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentene) +C10H14(179) C 10H 14 G 100.000 5000.000 972.12 1 + 2.20868855E+01 3.98902881E-02-1.41372886E-05 2.64619696E-09-1.94952149E-13 2 + 7.35957837E+03-8.86137827E+01-1.59646304E-01 6.38821858E-02 5.30682558E-05 3 +-1.14919047E-07 4.84209597E-11 1.48764526E+04 3.44995922E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! ring(Cyclopentene) +C5H8(180) C 5H 8 G 100.000 5000.000 960.77 1 + 1.06215433E+01 2.16107521E-02-7.25561897E-06 1.38983131E-09-1.06499697E-13 2 +-1.09380084E+03-3.50384683E+01 2.95818807E+00 3.20109787E-03 1.00039791E-04 3 +-1.27568149E-07 4.76324834E-11 2.70097652E+03 1.37113449E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(Allyl_T) +C11H17(181) C 11H 17 G 100.000 5000.000 1074.31 1 + 2.04738219E+01 5.58913309E-02-2.18913713E-05 3.98483210E-09-2.75549478E-13 2 + 1.24695255E+04-7.41964773E+01-1.69371394E+00 1.08333563E-01-5.30938552E-05 3 +-2.72802028E-09 7.35462461E-12 1.89691467E+04 4.24207115E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) +! + group(Cds-CdsHH) + radical(Allyl_T) +C10H14L(182) C 10H 14 G 100.000 5000.000 1532.83 1 + 5.49223871E+01 1.17159067E-01-4.61994520E-05 8.20671745E-09-5.48797917E-13 2 +-1.10969149E+04-2.40232162E+02-1.08510352E+01 2.88798516E-01-2.14163003E-04 3 + 8.12584412E-08-1.24633345E-11 9.06694894E+03 1.05179340E+02 4 + +! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(Allyl_S) +C10H15(183) C 10H 15 G 100.000 5000.000 1079.64 1 + 1.93359625E+01 4.89443854E-02-1.95427490E-05 3.60236890E-09-2.51062956E-13 2 + 1.77761363E+04-6.89724375E+01-1.07445511E+00 9.57406104E-02-4.45140052E-05 3 +-5.70544316E-09 7.63002290E-12 2.38631730E+04 3.88397078E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds- +! Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) +C10H14(184) C 10H 14 G 100.000 5000.000 991.15 1 + 2.28371427E+01 3.95055042E-02-1.44797191E-05 2.64412625E-09-1.87708856E-13 2 + 1.34606628E+04-8.79939244E+01-1.11259971E+00 9.32509010E-02-3.08798907E-05 3 +-3.00029397E-08 1.90639046E-11 2.03158745E+04 3.79691757E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) +! + radical(Allyl_P) +C9H12L(185) C 9H 12 G 100.000 5000.000 1522.23 1 + 5.57700469E+01 1.06918468E-01-4.18891200E-05 7.42887524E-09-4.96754006E-13 2 +-6.07889558E+03-2.47026464E+02-1.06159955E+01 2.81365287E-01-2.13790988E-04 3 + 8.27151171E-08-1.28614064E-11 1.41317642E+04 1.01140659E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + +! ring(Cyclopentene) +C10H14(186) C 10H 14 G 100.000 5000.000 964.35 1 + 2.14267523E+01 4.01236006E-02-1.37082318E-05 2.62792929E-09-2.00516234E-13 2 + 1.22003850E+03-9.11284167E+01 7.78174326E-01 3.46897031E-02 1.36417141E-04 3 +-1.99096081E-07 7.74851599E-11 9.43768200E+03 2.96980761E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- +! Cds(Cds-Cds)H) + ring(Cyclopentadiene) +C5H6(187) C 5H 6 G 100.000 5000.000 948.18 1 + 1.23881847E+01 1.33340944E-02-3.50190977E-06 6.76618448E-10-5.69827255E-14 2 + 1.06911695E+04-4.47929654E+01 2.99614574E+00 2.16863044E-03 9.45058637E-05 3 +-1.24723397E-07 4.79009709E-11 1.47552013E+04 1.20571415E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C11H18L(188) C 11H 18 G 100.000 5000.000 1394.00 1 + 4.42329071E+01 1.50531351E-01-6.35699098E-05 1.17335011E-08-8.04827720E-13 2 +-1.62996673E+04-1.74277896E+02-1.05039558E+01 3.07597518E-01-2.32581565E-04 3 + 9.25626765E-08-1.53009188E-11-1.03922413E+03 1.07977474E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- +! Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(1,3-cyclopentadiene-allyl) +C5H5(189) C 5H 5 G 100.000 5000.000 1071.07 1 + 7.36867927E+00 1.95181731E-02-7.32840065E-06 1.29022848E-09-8.70708319E-14 2 + 2.94179776E+04-1.82002343E+01 2.41059785E+00 3.07885943E-02-1.29644745E-05 3 +-1.51805464E-09 2.04273365E-12 3.08956891E+04 8.00027680E+00 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- +! CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! radical(Allyl_T) +C9H14L(190) C 9H 14 G 100.000 5000.000 1516.70 1 + 4.71381127E+01 1.26211669E-01-5.15162638E-05 9.30841048E-09-6.28597328E-13 2 +-1.91392614E+04-1.98673086E+02-9.65299460E+00 2.75986383E-01-1.99641115E-04 3 + 7.44164829E-08-1.13604084E-11-1.91216193E+03 9.89670513E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- +! Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(RCCJC) +C8H13(191) C 8H 13 G 100.000 5000.000 1203.34 1 + 1.47464804E+01 4.17814878E-02-1.63337603E-05 2.92047258E-09-1.97661588E-13 2 + 1.75575661E+04-4.35427658E+01-3.29354712E-02 7.78496654E-02-4.50142917E-05 3 + 9.79072269E-09 2.48796526E-13 2.20600397E+04 3.44238901E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C12H20R(192) C 12H 20 G 100.000 5000.000 1381.69 1 + 4.50779530E+01 1.59022181E-01-6.74088651E-05 1.24681241E-08-8.56436772E-13 2 +-1.93984235E+04-1.76799052E+02-1.10801269E+01 3.21599383E-01-2.43906264E-04 3 + 9.76278891E-08-1.62649901E-11-3.87974119E+03 1.12287800E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! radical(Allyl_S) +C7H12L(193) C 7H 12 G 100.000 5000.000 1609.53 1 + 4.93334794E+01 1.09630835E-01-4.38911312E-05 7.82021827E-09-5.22006233E-13 2 +-2.71572047E+04-2.15467826E+02-9.03961191E+00 2.54697089E-01-1.79083248E-04 3 + 6.38158079E-08-9.21936817E-12-8.36624432E+03 9.39317844E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds- +! Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) +C8H12(194) C 8H 12 G 100.000 5000.000 1005.34 1 + 1.70020967E+01 3.54849559E-02-1.34528013E-05 2.47698827E-09-1.75377216E-13 2 + 8.95578776E+03-5.83139705E+01 1.86691312E-01 6.87130409E-02-1.27840820E-05 3 +-3.12859442E-08 1.65061512E-11 1.40386716E+04 3.13642191E+01 4 + +! Thermo library: DFT_QCI_thermo +[CH2]CC(195) C 3H 7 G 100.000 5000.000 984.47 1 + 6.16546759E+00 1.84494011E-02-6.79026009E-06 1.23048391E-09-8.63859567E-14 2 + 9.09504607E+03-6.67625398E+00 3.02814630E+00 1.47024434E-02 2.40505868E-05 3 +-3.66733206E-08 1.38609152E-11 1.05120551E+04 1.24699044E+01 4 + +! Thermo library: DFT_QCI_thermo +C2H4(196) C 2H 4 G 100.000 5000.000 946.00 1 + 4.59009997E+00 8.72743880E-03-2.66505596E-06 4.81739733E-10-3.60714734E-14 2 + 4.12706951E+03-3.32389917E+00 3.98879754E+00-6.74758829E-03 5.04415006E-05 3 +-5.70767559E-08 2.04955418E-11 5.04704590E+03 3.80480675E+00 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Allyl_P) +C8H13(197) C 8H 13 G 100.000 5000.000 970.69 1 + 1.79004739E+01 3.66915753E-02-1.30521082E-05 2.44964497E-09-1.80786258E-13 2 + 1.41614140E+04-6.84661489E+01 8.41225687E-01 4.41142146E-02 7.26376883E-05 3 +-1.23130972E-07 4.93483604E-11 2.04354146E+04 2.85853573E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) +! + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(RCCJ) +C8H13(198) C 8H 13 G 100.000 5000.000 1323.84 1 + 1.18028230E+01 4.82583544E-02-2.05920925E-05 3.81959521E-09-2.62864352E-13 2 + 2.08430806E+04-2.83011781E+01 2.64796049E-01 8.31206263E-02-6.00933655E-05 3 + 2.37118485E-08-4.01940538E-12 2.38979834E+04 3.05999805E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_T) +C7H12R(199) C 7H 12 G 100.000 5000.000 1508.93 1 + 4.12147126E+01 1.22076722E-01-5.02711133E-05 9.12095015E-09-6.17388426E-13 2 +-2.67041835E+04-1.70846107E+02-8.33790987E+00 2.53435095E-01-1.80852159E-04 3 + 6.68135362E-08-1.01759191E-11-1.17499032E+04 8.86026158E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C10H14(200) C 10H 14 G 100.000 5000.000 1151.30 1 + 2.04738303E+01 4.43034588E-02-1.74184670E-05 3.15355505E-09-2.16221303E-13 2 + 1.65347593E+04-7.48294431E+01-1.29786777E+00 1.02344781E-01-7.01072277E-05 3 + 2.03843754E-08-1.07434344E-12 2.27143887E+04 3.83398029E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + +! ring(Cyclopentadiene) +C10H12(201) C 10H 12 G 100.000 5000.000 982.78 1 + 2.15240451E+01 3.64079696E-02-1.33173593E-05 2.47810081E-09-1.79646187E-13 2 + 1.99552708E+04-8.64223784E+01-3.77908067E-01 7.47113570E-02 5.81616360E-06 3 +-6.31376451E-08 2.99014141E-11 2.67154150E+04 3.13524570E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentene) + +! radical(cyclopentene-allyl) +C10H13(202) C 10H 13 G 100.000 5000.000 971.45 1 + 2.19106432E+01 3.78859187E-02-1.34304196E-05 2.53413838E-09-1.88247492E-13 2 + 2.25450285E+04-8.90045123E+01 4.70184308E-02 5.88375953E-02 6.08739210E-05 3 +-1.21651888E-07 5.06071242E-11 3.00521460E+04 3.26167221E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! radical(Tertalkyl) +C5H9L2(203) C 5H 9 G 100.000 5000.000 1409.42 1 + 5.75844383E+01 2.08435925E-01-8.89718527E-05 1.64921748E-08-1.13318181E-12 2 +-4.48488899E+04-2.32364986E+02-1.54503176E+01 4.15711933E-01-3.09568931E-04 3 + 1.20836289E-07-1.96415201E-11-2.42615556E+04 1.45049453E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + +! ring(Cyclopentene) +C11H16(204) C 11H 16 G 100.000 5000.000 986.99 1 + 2.31244916E+01 4.82952520E-02-1.79518562E-05 3.34493969E-09-2.41467168E-13 2 + 2.41717448E+03-9.31452233E+01-1.01050121E+00 8.39609339E-02 2.22932006E-05 3 +-8.76344151E-08 3.89622832E-11 1.02083964E+04 3.83107047E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- +! CdsHH) + group(Cds-CdsHH) + radical(Allyl_P) +C10H14L(205) C 10H 14 G 100.000 5000.000 1476.34 1 + 5.44251374E+01 1.18978602E-01-4.76564111E-05 8.56307280E-09-5.77821952E-13 2 +-9.87429303E+03-2.35552087E+02-1.09954465E+01 2.96229182E-01-2.27747482E-04 3 + 8.98862205E-08-1.43488844E-11 9.44232773E+03 1.05550105E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_P) +C7H11LR(206) C 7H 11 G 100.000 5000.000 1484.97 1 + 7.50664540E+01 1.94221644E-01-7.99086287E-05 1.45305482E-08-9.86237083E-13 2 +-4.83714428E+04-3.32487493E+02-1.80150560E+01 4.44952338E-01-3.33178107E-04 3 + 1.28234534E-07-2.01287871E-11-2.07269057E+04 1.53380530E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) +! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + +! ring(Cyclopentadiene) +C8H9R(207) C 8H 9 G 100.000 5000.000 1198.83 1 + 4.47061178E+01 1.11672420E-01-4.55194077E-05 8.36172030E-09-5.76124061E-13 2 +-9.80493582E+03-1.90568205E+02-8.83552828E+00 2.45925574E-01-1.57954435E-04 3 + 3.99982700E-08-7.32208697E-13 6.22263468E+03 9.07538764E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! group(Cds-CdsHH) + ring(Cyclopentane) + radical(Tertalkyl) +C8H11LR(208) C 8H 11 G 100.000 5000.000 1614.27 1 + 8.32650882E+01 1.83311208E-01-7.28847506E-05 1.29400072E-08-8.61841171E-13 2 +-4.48844820E+04-3.77252704E+02-1.84691867E+01 4.35400493E-01-3.07131055E-04 3 + 1.09680566E-07-1.58440449E-11-1.20394122E+04 1.62274396E+02 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds- +! Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds- +! Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! polycyclic(s3_5_5_ane) + radical(2-norbornyl) +C8H11LR(209) C 8H 11 G 100.000 5000.000 1191.39 1 + 7.19795452E+01 2.02860818E-01-8.41894067E-05 1.56135398E-08-1.08159971E-12 2 +-3.85839603E+04-3.23272375E+02-1.77878042E+01 4.15112442E-01-2.39197705E-04 3 + 3.95550000E-08 7.07163500E-12-1.08683546E+04 1.52072138E+02 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopentene) + +! radical(cyclopentene-allyl) +C10H13(210) C 10H 13 G 100.000 5000.000 1005.32 1 + 1.82322783E+01 4.48183287E-02-1.75591032E-05 3.31769270E-09-2.39068149E-13 2 + 2.62063943E+04-6.90631811E+01-7.92240758E-03 6.65148994E-02 2.59810146E-05 3 +-7.58957436E-08 3.19778728E-11 3.24449079E+04 3.18192755E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + +! ring(Cyclopentene) +C11H16(211) C 11H 16 G 100.000 5000.000 983.65 1 + 2.55496927E+01 4.55136981E-02-1.69673527E-05 3.23596636E-09-2.39032555E-13 2 + 2.16121353E+03-1.08210302E+02-1.00478053E+00 7.92758375E-02 4.47307763E-05 3 +-1.15289870E-07 4.93813471E-11 1.09759584E+04 3.77138148E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! group(Cds-CdsHH) + ring(Cyclohexene) + radical(Cs_S) +C7H9LR(212) C 7H 9 G 100.000 5000.000 1649.95 1 + 8.69707212E+01 1.70295215E-01-6.75455990E-05 1.19555254E-08-7.93532660E-13 2 +-4.44419389E+04-4.03487615E+02-1.83133668E+01 4.25536131E-01-2.99588944E-04 3 + 1.05712896E-07-1.49995713E-11-9.69911045E+03 1.57168130E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) +C8H11R(213) C 8H 11 G 100.000 5000.000 1541.66 1 + 5.19868002E+01 1.05673024E-01-4.18410630E-05 7.45100594E-09-4.98891682E-13 2 +-1.91924927E+04-2.25764301E+02-9.70598873E+00 2.65741126E-01-1.97583317E-04 3 + 7.47991446E-08-1.14202337E-11-1.70588140E+02 9.85722104E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) +! + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! radical(Allyl_S) +C8H14R(214) C 8H 14 G 100.000 5000.000 1588.81 1 + 4.99988084E+01 1.18319505E-01-4.78035624E-05 8.56563715E-09-5.74122209E-13 2 +-3.01385541E+04-2.16899802E+02-9.57277671E+00 2.68297691E-01-1.89398688E-04 3 + 6.79792542E-08-9.92290243E-12-1.12090078E+04 9.80793040E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + +! group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + polycyclic(s3_5_5_ane) + +! radical(2-norbornyl) +C7H9LR(215) C 7H 9 G 100.000 5000.000 1210.88 1 + 6.87933891E+01 1.97123553E-01-8.14140762E-05 1.50252134E-08-1.03644816E-12 2 +-3.32171015E+04-3.05464744E+02-1.69802717E+01 4.00599868E-01-2.34536886E-04 3 + 4.48574793E-08 4.05069644E-12-6.58965220E+03 1.48933385E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C8H13R2(216) C 8H 13 G 100.000 5000.000 1357.94 1 + 5.79653114E+01 2.31776676E-01-1.00163630E-04 1.87032561E-08-1.29191566E-12 2 +-4.06222361E+04-2.27427518E+02-1.67799832E+01 4.51948211E-01-3.43367090E-04 3 + 1.38100915E-07-2.32732039E-11-2.03222130E+04 1.56045414E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cs_S) +C7H9LR(217) C 7H 9 G 100.000 5000.000 1231.33 1 + 7.18406956E+01 1.90679269E-01-7.75570670E-05 1.41826528E-08-9.72489773E-13 2 +-3.42030523E+04-3.12431650E+02-1.75415672E+01 4.12909522E-01-2.65281881E-04 3 + 7.08857194E-08-3.36185704E-12-7.02638292E+03 1.58358714E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! group(Cds-CdsHH) + radical(Allyl_S) +C7H9LR(218) C 7H 9 G 100.000 5000.000 1505.57 1 + 7.31595925E+01 1.91621995E-01-7.94601354E-05 1.44890057E-08-9.84095914E-13 2 +-3.38353104E+04-3.17488975E+02-1.73064689E+01 4.31966551E-01-3.18909761E-04 3 + 1.20514795E-07-1.85892625E-11-6.59405836E+03 1.55975790E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + radical(Allyl_P) +C3H4L(219) C 3H 4 G 100.000 5000.000 1617.17 1 + 4.26862363E+01 8.16269168E-02-3.20789189E-05 5.66174589E-09-3.75757549E-13 2 +-1.11768129E+04-1.85074950E+02-6.66621560E+00 2.03694766E-01-1.45299431E-04 3 + 5.23348216E-08-7.59080173E-12 4.78588016E+03 7.67460619E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- +! Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) +C4H5R(220) C 4H 5 G 100.000 5000.000 1202.61 1 + 3.92568879E+01 9.24026354E-02-3.70827523E-05 6.75722158E-09-4.63497728E-13 2 +-1.64497691E+04-1.62808037E+02-7.05652185E+00 2.12585949E-01-1.44752777E-04 3 + 4.30319946E-08-3.13736874E-12-2.86188191E+03 7.93519034E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(RCCJ) +C7H9(221) C 7H 9 G 100.000 5000.000 993.43 1 + 1.35440410E+01 2.91177540E-02-1.10809479E-05 2.07600747E-09-1.49609949E-13 2 + 2.84448207E+04-4.58600381E+01 1.37492223E+00 4.29835310E-02 2.10300852E-05 3 +-5.50715079E-08 2.31902242E-11 3.25962853E+04 2.14941760E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) +! + radical(Allyl_S) +C9H12R(222) C 9H 12 G 100.000 5000.000 1545.38 1 + 5.38832749E+01 1.10095545E-01-4.38028868E-05 7.81603886E-09-5.23813983E-13 2 +-5.85150672E+03-2.35600362E+02-1.02156849E+01 2.76003541E-01-2.04835901E-04 3 + 7.72832730E-08-1.17614862E-11 1.39603251E+04 1.01541645E+02 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(Tertalkyl) +C9H15(223) C 9H 15 G 100.000 5000.000 1508.70 1 + 1.57027514E+01 5.06794893E-02-2.07409670E-05 3.74788481E-09-2.52993950E-13 2 + 1.25675563E+04-4.89739041E+01-4.39444155E-01 9.34773697E-02-6.32923016E-05 3 + 2.25506444E-08-3.36873436E-12 1.74382737E+04 3.55412145E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_P) +C4H6R(224) C 4H 6 G 100.000 5000.000 1552.31 1 + 4.27061368E+01 9.14705482E-02-3.65819635E-05 6.53853638E-09-4.38400679E-13 2 +-1.39317228E+04-1.82970947E+02-7.25476491E+00 2.20210371E-01-1.60983807E-04 3 + 5.99652187E-08-9.04280607E-12 1.57919926E+03 8.00314101E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsHH) + ring(Cyclopropane) + radical(Tertalkyl) +RC[C]1CC1(225) C 4H 6 G 100.000 5000.000 1653.47 1 + 4.06842891E+01 9.37896347E-02-3.77660283E-05 6.73109869E-09-4.48533682E-13 2 +-5.05887061E+03-1.72328916E+02-6.57312693E+00 2.08111969E-01-1.41476704E-04 3 + 4.85462165E-08-6.77082427E-12 1.05689654E+04 7.94257031E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! ring(Cyclopentene) + radical(cyclopentene-allyl) +C11H15(226) C 11H 15 G 100.000 5000.000 1034.15 1 + 1.94979866E+01 5.28497533E-02-2.11640770E-05 3.96791990E-09-2.81620650E-13 2 + 2.11634009E+04-7.48878365E+01-8.75537271E-01 8.67644715E-02-5.24765899E-06 3 +-4.82647798E-08 2.24918257E-11 2.77775928E+04 3.56921059E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) +! + radical(Tertalkyl) +C9H14R(227) C 9H 14 G 100.000 5000.000 1421.10 1 + 4.25605212E+01 1.33533286E-01-5.58878675E-05 1.02641603E-08-7.01654889E-13 2 +-1.05173117E+04-1.70038167E+02-9.35993254E+00 2.79673538E-01-2.10140467E-04 3 + 8.26265021E-08-1.34315259E-11 4.23965489E+03 9.86949537E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) +C9H13LR(228) C 9H 13 G 100.000 5000.000 1468.82 1 + 7.45842925E+01 2.08093510E-01-8.61781085E-05 1.57247374E-08-1.06974866E-12 2 +-4.20622486E+04-3.22209415E+02-1.85910238E+01 4.61837432E-01-3.45310492E-04 3 + 1.33340415E-07-2.10886392E-11-1.46909067E+04 1.63129027E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + +! ring(Cyclopentene) +C11H16(229) C 11H 16 G 100.000 5000.000 986.99 1 + 2.31244916E+01 4.82952520E-02-1.79518562E-05 3.34493969E-09-2.41467168E-13 2 + 2.41717448E+03-9.31452233E+01-1.01050121E+00 8.39609339E-02 2.22932006E-05 3 +-8.76344151E-08 3.89622832E-11 1.02083964E+04 3.83107047E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(RCCJCC) +C7H10L(230) C 7H 10 G 100.000 5000.000 1459.75 1 + 3.99238723E+01 1.18165392E-01-4.91150457E-05 8.97665349E-09-6.11257797E-13 2 +-2.03944754E+03-1.57409076E+02-8.05509303E+00 2.49637492E-01-1.84212632E-04 3 + 7.06757867E-08-1.11780168E-11 1.19679722E+04 9.22103355E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(RCCJC) +C9H15(231) C 9H 15 G 100.000 5000.000 1040.92 1 + 1.37582247E+01 5.26150125E-02-2.09344106E-05 3.87939848E-09-2.72309480E-13 2 + 7.09348987E+03-4.21227684E+01 1.80278965E-01 6.73693055E-02 1.17306473E-05 3 +-5.15786450E-08 2.13420223E-11 1.19476047E+04 3.36659908E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C10H16R(232) C 10H 16 G 100.000 5000.000 1334.82 1 + 3.90325964E+01 1.49615802E-01-6.41219064E-05 1.19365148E-08-8.23683819E-13 2 +-1.25857860E+04-1.47590922E+02-9.62729428E+00 2.95429897E-01-2.27976701E-04 3 + 9.37709861E-08-1.61502433E-11 4.04919502E+02 1.01218725E+02 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! ring(Cyclopentene) + radical(cyclopentene-allyl) +C11H15(233) C 11H 15 G 100.000 5000.000 1034.15 1 + 1.94979866E+01 5.28497533E-02-2.11640770E-05 3.96791990E-09-2.81620650E-13 2 + 2.11634009E+04-7.48878365E+01-8.75537271E-01 8.67644715E-02-5.24765899E-06 3 +-4.82647798E-08 2.24918257E-11 2.77775928E+04 3.56921059E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + +! ring(Cyclopentene) + radical(cyclopentene-allyl) +C11H15(234) C 11H 15 G 100.000 5000.000 983.43 1 + 2.31441610E+01 4.58485990E-02-1.69577291E-05 3.17522341E-09-2.30829202E-13 2 + 1.76779576E+04-9.45598496E+01-8.03031207E-01 7.86283442E-02 3.16122200E-05 3 +-9.65697314E-08 4.21119308E-11 2.55129822E+04 3.64594036E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(Allyl_P) +C10H15(235) C 10H 15 G 100.000 5000.000 1007.01 1 + 2.18354351E+01 4.45130955E-02-1.68553175E-05 3.09441436E-09-2.18574822E-13 2 + 1.74361725E+04-8.12083753E+01-1.16651525E+00 9.46349386E-02-3.00777339E-05 3 +-2.88245154E-08 1.78028646E-11 2.41601180E+04 4.03071171E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- +! CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) +C8H11LR(236) C 8H 11 G 100.000 5000.000 1475.56 1 + 7.34830030E+01 2.01108328E-01-8.38164043E-05 1.53406277E-08-1.04521092E-12 2 +-3.67801045E+04-3.17207986E+02-1.79466331E+01 4.48957900E-01-3.35770038E-04 3 + 1.29174251E-07-2.03316371E-11-9.79800152E+03 1.59457128E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C7H12L(237) C 7H 12 G 100.000 5000.000 1348.27 1 + 3.12032728E+01 1.38955899E-01-6.02821225E-05 1.12700371E-08-7.78819940E-13 2 +-1.36486786E+04-1.09385584E+02-7.46946416E+00 2.53688904E-01-1.87926913E-04 3 + 7.43854321E-08-1.24818624E-11-3.22042852E+03 8.87442626E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + +! radical(Allyl_S) +C11H17(238) C 11H 17 G 100.000 5000.000 1601.22 1 + 2.58296171E+01 4.89505089E-02-1.88549533E-05 3.29396763E-09-2.17445693E-13 2 + 1.02204423E+04-1.04823022E+02-2.24033978E+00 1.19072815E-01-8.45453536E-05 3 + 3.06444573E-08-4.48775734E-12 1.92095645E+04 4.38123180E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds- +! Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(C=CC=CCJ) +C6H7(239) C 6H 7 G 100.000 5000.000 945.84 1 + 1.39615853E+01 1.80037462E-02-4.98802905E-06 9.10700721E-10-7.18851864E-14 2 + 1.97023215E+04-5.05474316E+01 2.44368214E+00 1.31336789E-02 8.77078073E-05 3 +-1.24317625E-07 4.88585122E-11 2.42777815E+04 1.70478845E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds- +! Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) +C10H13R(240) C 10H 13 G 100.000 5000.000 1129.34 1 + 4.80826422E+01 1.25166735E-01-5.08110025E-05 9.38778712E-09-6.52305763E-13 2 +-1.69257718E+04-2.05228101E+02-1.00587790E+01 2.68075938E-01-1.56919265E-04 3 + 2.26130547E-08 7.35822846E-12 2.25444979E+02 1.00135796E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Tertalkyl) +C9H12L(241) C 9H 12 G 100.000 5000.000 1585.67 1 + 4.99702282E+01 1.16602570E-01-4.73050723E-05 8.49701885E-09-5.70415400E-13 2 +-8.00990299E+03-2.16206767E+02-9.47579564E+00 2.66559147E-01-1.89158387E-04 3 + 6.81361000E-08-9.97313892E-12 1.08426467E+04 9.79915826E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds- +! CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) + radical(RCCJ) +C8H11(242) C 8H 11 G 100.000 5000.000 1058.34 1 + 1.21374770E+01 4.12304551E-02-1.68726170E-05 3.16819649E-09-2.23669066E-13 2 + 2.77409347E+04-3.53361171E+01 9.56625345E-01 5.35420592E-02 8.12136674E-06 3 +-3.93116763E-08 1.61263477E-11 3.17846965E+04 2.71624018E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Allyl_S) +C10H12L(243) C 10H 12 G 100.000 5000.000 1130.09 1 + 4.77019309E+01 1.23395173E-01-5.04768003E-05 9.36410953E-09-6.52167136E-13 2 +-1.01110988E+02-2.02457405E+02-9.82525317E+00 2.62964078E-01-1.50713493E-04 3 + 1.83423061E-08 8.45680674E-12 1.69910304E+04 1.00209205E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds- +! Cds)HH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) + ring(3-Methylenecyclopentene) +C12H14(244) C 12H 14 G 100.000 5000.000 991.82 1 + 2.14489720E+01 5.00244347E-02-1.91857302E-05 3.64421390E-09-2.65770637E-13 2 + 2.17817430E+04-8.75855162E+01-4.66828760E-01 6.98297806E-02 5.45802390E-05 3 +-1.15654493E-07 4.73774604E-11 2.95022450E+04 3.49705697E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + polycyclic(s3_5_6_ene_5) + +! radical(Allyl_T) +C9H12L(245) C 9H 12 G 100.000 5000.000 1058.02 1 + 4.28673284E+01 1.27051223E-01-5.20623799E-05 9.81388954E-09-6.95725953E-13 2 +-1.37513332E+04-1.91001987E+02-8.23038441E+00 2.21755175E-01-4.67120521E-05 3 +-8.15300267E-08 4.16749176E-11 2.57305483E+03 8.44449446E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-Cds(Cds-Cds)Cs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds- +! CdsHH) + ring(3-Methylenecyclopentene) +C11H14(246) C 11H 14 G 100.000 5000.000 972.27 1 + 2.44757193E+01 4.05124264E-02-1.42801628E-05 2.65454281E-09-1.94614739E-13 2 + 1.58535737E+04-1.00732706E+02-7.92415718E-01 7.78718470E-02 3.08257458E-05 3 +-9.87231991E-08 4.39874618E-11 2.39147263E+04 3.66480838E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + +! radical(Tertalkyl) +C10H14R(247) C 10H 14 G 100.000 5000.000 1566.31 1 + 5.06530904E+01 1.25276353E-01-5.12144011E-05 9.24257265E-09-6.22593104E-13 2 +-1.10046205E+04-2.17748327E+02-1.00141155E+01 2.80206171E-01-1.99584811E-04 3 + 7.23931119E-08-1.07020724E-11 8.00016460E+03 1.02158790E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Allyl_T) +C11H14L(248) C 11H 14 G 100.000 5000.000 1127.86 1 + 4.88667804E+01 1.30295180E-01-5.27979702E-05 9.74002742E-09-6.76107255E-13 2 +-5.41867857E+03-2.07832706E+02-1.04534754E+01 2.75663320E-01-1.59665821E-04 3 + 2.18000398E-08 7.97932975E-12 1.20973896E+04 1.03822300E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsHH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) +C10H12L(249) C 10H 12 G 100.000 5000.000 1060.88 1 + 4.25509224E+01 1.30055873E-01-5.29997522E-05 9.94139808E-09-7.02123682E-13 2 +-8.54507959E+02-1.84121046E+02-8.42457175E+00 2.26839404E-01-5.49303628E-05 3 +-7.36270764E-08 3.89703434E-11 1.53306672E+04 9.01252889E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! polycyclic(s3_5_6_ene_5) + radical(Allyl_T) +C10H14R(250) C 10H 14 G 100.000 5000.000 1069.24 1 + 4.46028017E+01 1.34106433E-01-5.51051768E-05 1.03658515E-08-7.32518202E-13 2 +-1.72518812E+04-1.98590015E+02-8.98749567E+00 2.37807107E-01-6.48140862E-05 3 +-6.82327553E-08 3.74374021E-11-2.59476157E+02 8.94099482E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) +! + ring(4-Methylenecyclopentene) +C11H14(251) C 11H 14 G 100.000 5000.000 1023.00 1 + 1.99684220E+01 4.87586866E-02-1.92400464E-05 3.60017655E-09-2.56118703E-13 2 + 1.93191749E+04-7.50494494E+01-7.97487089E-01 8.53122404E-02-7.37905464E-06 3 +-4.67874619E-08 2.24823708E-11 2.59038579E+04 3.70235793E+01 4 + +! Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)(Cds-Cds)) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) +! + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Fulvene) +C6H6(252) C 6H 6 G 100.000 5000.000 949.88 1 + 1.38824352E+01 1.47777411E-02-4.11982562E-06 7.77620605E-10-6.28633473E-14 2 + 2.10172690E+04-5.21584472E+01 2.47058465E+00 1.46010235E-02 7.23252049E-05 3 +-1.06330978E-07 4.21962685E-11 2.53612118E+04 1.37641969E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) +! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! group(Cds-CdsHH) + radical(Tertalkyl) +C9H15L2(253) C 9H 15 G 100.000 5000.000 1371.79 1 + 6.15839972E+01 2.35319817E-01-1.01042532E-04 1.88052981E-08-1.29629506E-12 2 +-4.58363500E+04-2.46079887E+02-1.76138361E+01 4.66252908E-01-3.53559347E-04 3 + 1.41524331E-07-2.36610842E-11-2.41078164E+04 1.61039523E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cds-Cds(Cds-Cds)Cs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + ring(3-Methylenecyclopentene) +C12H14(254) C 12H 14 G 100.000 5000.000 964.25 1 + 2.61960980E+01 4.13821509E-02-1.40022621E-05 2.64658603E-09-2.00004942E-13 2 + 1.82114885E+04-1.15319487E+02-4.85081099E-01 6.26413010E-02 9.20325321E-05 3 +-1.66838987E-07 6.86773086E-11 2.75141318E+04 3.39869247E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + +! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) + ring(4-Methylenecyclopentene) +C12H14(255) C 12H 14 G 100.000 5000.000 1050.63 1 + 1.71788874E+01 5.78904490E-02-2.39356884E-05 4.54185349E-09-3.23392212E-13 2 + 2.51400023E+04-6.39454702E+01-4.69227944E-01 7.71936512E-02 1.68742584E-05 3 +-6.47367234E-08 2.64846964E-11 3.14912970E+04 3.46461219E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- +! Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(Allyl_S) +C11H15(256) C 11H 15 G 100.000 5000.000 1015.97 1 + 2.07550254E+01 5.06239747E-02-2.00203896E-05 3.77006904E-09-2.69943666E-13 2 + 1.98571245E+04-7.95106189E+01-8.63249036E-01 8.43433755E-02 6.07503643E-06 3 +-6.31443315E-08 2.84477035E-11 2.69022947E+04 3.81814058E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + +! group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + ring(Cyclopentadiene) +C12H14(257) C 12H 14 G 100.000 5000.000 967.18 1 + 2.64898739E+01 4.12183157E-02-1.42117552E-05 2.69589330E-09-2.03178466E-13 2 + 1.76716706E+04-1.14645709E+02-6.39336747E-01 6.71049591E-02 7.95040288E-05 3 +-1.54172767E-07 6.41956034E-11 2.69564010E+04 3.62015889E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + group(Cs- +! CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) +C11H14L(258) C 11H 14 G 100.000 5000.000 1064.88 1 + 4.62198597E+01 1.35346718E-01-5.56452857E-05 1.04888130E-08-7.42767277E-13 2 +-6.14547689E+03-2.04889460E+02-9.27562785E+00 2.42271620E-01-6.32411844E-05 3 +-7.42930328E-08 4.01818353E-11 1.14304541E+04 9.33626816E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + +! radical(Tertalkyl) +C12H18L(259) C 12H 18 G 100.000 5000.000 1552.20 1 + 5.45758796E+01 1.38296087E-01-5.65163535E-05 1.02042946E-08-6.87942016E-13 2 +-1.84264761E+04-2.35925173E+02-1.13785903E+01 3.08261078E-01-2.20766582E-04 3 + 8.07499014E-08-1.20502153E-11 2.04829148E+03 1.11264993E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + +! group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + radical(RCCJC) +C9H13(260) C 9H 13 G 100.000 5000.000 1008.00 1 + 1.48914908E+01 4.51871261E-02-1.74610386E-05 3.23476186E-09-2.29185352E-13 2 + 2.06266696E+04-4.84732636E+01 4.09735063E-01 6.11760167E-02 2.04698948E-05 3 +-6.26746187E-08 2.62421061E-11 2.56534225E+04 3.19607747E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) + ring(Cyclopentadiene) +C12H14(261) C 12H 14 G 100.000 5000.000 997.55 1 + 2.17844607E+01 4.97918860E-02-1.93565004E-05 3.68452877E-09-2.68207888E-13 2 + 2.12236777E+04-8.78410843E+01-6.23808642E-01 7.43201069E-02 4.19884129E-05 3 +-1.02958061E-07 4.29095181E-11 2.89446344E+04 3.65021778E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds- +! Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) +C5H7L(262) C 5H 7 G 100.000 5000.000 1521.95 1 + 4.48175631E+01 9.39009837E-02-3.72171621E-05 6.63649133E-09-4.45041680E-13 2 +-2.35794385E+04-1.93339581E+02-7.91047806E+00 2.32481960E-01-1.73800230E-04 3 + 6.64649193E-08-1.02726896E-11-7.52963778E+03 8.31878270E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds- +! CdsHH) + ring(3-Methylenecyclopentene) +C9H11R(263) C 9H 11 G 100.000 5000.000 1101.97 1 + 4.50562929E+01 1.19901712E-01-4.87418435E-05 9.05186062E-09-6.32471807E-13 2 +-1.27095090E+04-1.90034077E+02-9.08074625E+00 2.47365885E-01-1.28261397E-04 3 + 3.01274273E-10 1.42518512E-11 3.41424716E+03 9.54241997E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! ring(4-Methylenecyclopentene) +C9H11R(264) C 9H 11 G 100.000 5000.000 1681.08 1 + 5.48223230E+01 1.06562012E-01-4.22856140E-05 7.47023973E-09-4.94527145E-13 2 +-1.62356093E+04-2.46562688E+02-9.61282294E+00 2.59881652E-01-1.79091264E-04 3 + 6.17237397E-08-8.56284042E-12 5.42834990E+03 9.77691083E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! polycyclic(s3_5_6_ene_5) + radical(Allyl_T) +C11H15(265) C 11H 15 G 100.000 5000.000 989.76 1 + 1.74407080E+01 5.43270761E-02-2.09042583E-05 3.97145090E-09-2.89414653E-13 2 + 1.82752716E+04-7.16230322E+01 3.88774946E-01 4.97881063E-02 9.72919839E-05 3 +-1.50619880E-07 5.76966581E-11 2.52485606E+04 2.86423224E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs- +! CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(Allyl_T) +C12H17(266) C 12H 17 G 100.000 5000.000 1013.67 1 + 2.18847107E+01 5.75873467E-02-2.23794895E-05 4.15517612E-09-2.94659793E-13 2 + 1.45530929E+04-8.46902548E+01-1.47468162E+00 9.68396312E-02-2.14654907E-06 3 +-6.06590903E-08 2.83936434E-11 2.20079358E+04 4.17346359E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) +! + group(Cds-CdsHH) + ring(Cyclopentene) + ring(3-Methylenecyclopentene) +C12H16(267) C 12H 16 G 100.000 5000.000 973.93 1 + 2.47896556E+01 4.92569612E-02-1.77262251E-05 3.34919676E-09-2.47862163E-13 2 + 4.79890772E+03-1.06726844E+02-6.96750795E-01 6.86591236E-02 8.37234371E-05 3 +-1.55992310E-07 6.37298489E-11 1.38075240E+04 3.63194390E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! group(Cds-CdsHH) + ring(3-Methylenecyclopentene) +C9H11R(268) C 9H 11 G 100.000 5000.000 1085.50 1 + 4.56733285E+01 1.18839448E-01-4.80404842E-05 8.92343446E-09-6.24824170E-13 2 +-1.24225174E+04-1.93657906E+02-9.12042507E+00 2.47411634E-01-1.24364705E-04 3 +-6.44187480E-09 1.72483214E-11 3.79406342E+03 9.50881435E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + ring(4-Methylenecyclopentene) +C12H16(269) C 12H 16 G 100.000 5000.000 1007.90 1 + 2.01685406E+01 5.76924436E-02-2.27934757E-05 4.31989249E-09-3.11426264E-13 2 + 8.31377843E+03-8.04000555E+01-6.85203365E-01 7.59088552E-02 4.61534421E-05 3 +-1.04820152E-07 4.25190020E-11 1.57959363E+04 3.66350417E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! ring(4-Methylenecyclopentene) +C9H11R(270) C 9H 11 G 100.000 5000.000 1671.42 1 + 5.60645279E+01 1.04469203E-01-4.10049761E-05 7.20774496E-09-4.75939282E-13 2 +-1.62208408E+04-2.53727317E+02-9.86295916E+00 2.62244801E-01-1.82598835E-04 3 + 6.36840766E-08-8.92327610E-12 5.81771826E+03 9.82000695E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + ring(Cyclopentadiene) +C11H14(271) C 11H 14 G 100.000 5000.000 976.91 1 + 2.47849941E+01 4.03226788E-02-1.44748932E-05 2.70039383E-09-1.97503513E-13 2 + 1.53071003E+04-1.00839600E+02-9.48659197E-01 8.23579090E-02 1.82252064E-05 3 +-8.59756370E-08 3.94776787E-11 2.33570814E+04 3.81767857E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-Cds(Cds-Cds)Cs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) +C9H12(272) C 9H 12 G 100.000 5000.000 977.02 1 + 1.85974115E+01 3.65628696E-02-1.32931363E-05 2.49664831E-09-1.83038653E-13 2 + 1.13677180E+04-7.15007429E+01 5.09630892E-01 5.33073245E-02 4.89832693E-05 3 +-1.00032545E-07 4.14138147E-11 1.76374012E+04 2.93397499E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + ring(Cyclopentene) + ring(3-Methylenecyclopentene) +C12H16(273) C 12H 16 G 100.000 5000.000 973.26 1 + 2.72341886E+01 4.64428259E-02-1.67230509E-05 3.23583342E-09-2.45064693E-13 2 + 4.53472605E+03-1.21900942E+02-6.94666347E-01 6.40168445E-02 1.06012808E-04 3 +-1.83460276E-07 7.40720223E-11 1.45752422E+04 3.57355838E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + +! ring(3-Methylenecyclopentene) + ring(Cyclopentene) +C11H14(274) C 11H 14 G 100.000 5000.000 964.31 1 + 2.38120416E+01 4.07518160E-02-1.38546310E-05 2.63711134E-09-2.00248402E-13 2 + 9.71550802E+03-1.02534268E+02 1.46371480E-01 4.86676350E-02 1.14217078E-04 3 +-1.82957081E-07 7.30766148E-11 1.84759144E+04 3.25362711E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) +C9H12(275) C 9H 12 G 100.000 5000.000 1043.46 1 + 1.41839217E+01 4.46600031E-02-1.81712259E-05 3.42367727E-09-2.43043707E-13 2 + 1.47904637E+04-4.63521527E+01 5.09048839E-01 6.06736141E-02 1.11455292E-05 3 +-4.87446129E-08 2.02670813E-11 1.96263561E+04 2.97004619E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +! + ring(4-Methylenecyclopentene) + ring(Cyclopentene) +C11H14(276) C 11H 14 G 100.000 5000.000 991.10 1 + 1.90475865E+01 4.94235755E-02-1.90551014E-05 3.63875614E-09-2.66347314E-13 2 + 1.32930452E+04-7.53958852E+01 1.68735646E-01 5.58067517E-02 7.69407054E-05 3 +-1.32003828E-07 5.18761557E-11 2.04638514E+04 3.28120863E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)(Cds- +! Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + ring(Cyclopentadiene) +C12H14(277) C 12H 14 G 100.000 5000.000 970.35 1 + 2.67870692E+01 4.10488246E-02-1.44180516E-05 2.74445656E-09-2.06290970E-13 2 + 1.71303653E+04-1.15377572E+02-7.93794109E-01 7.15705055E-02 6.69716506E-05 3 +-1.41506345E-07 5.97163391E-11 2.63986790E+04 3.70307106E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-Cds(Cds-Cds)Cs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! ring(3-Methylenecyclopentene) +C11H14(278) C 11H 14 G 100.000 5000.000 1010.04 1 + 2.08539617E+01 4.73499037E-02-1.83546398E-05 3.42538509E-09-2.44386765E-13 2 + 1.94907089E+04-8.11109120E+01-8.57408456E-01 8.56667463E-02-4.47054956E-06 3 +-5.24620431E-08 2.51534319E-11 2.63079212E+04 3.58867206E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- +! CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! ring(4-Methylenecyclopentene) +C11H14(279) C 11H 14 G 100.000 5000.000 1181.29 1 + 1.79852603E+01 5.29832921E-02-2.18771415E-05 4.04321668E-09-2.79421797E-13 2 + 2.22082091E+04-6.47663103E+01-9.41384624E-01 9.38400429E-02-4.42579774E-05 3 + 2.60918923E-11 4.09396213E-12 2.83006862E+04 3.65578594E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) +! + group(Cds-CdsHH) + ring(Cyclopentene) + ring(4-Methylenecyclopentene) +C12H16(280) C 12H 16 G 100.000 5000.000 1000.83 1 + 2.25528556E+01 5.49784358E-02-2.18471207E-05 4.21979296E-09-3.09719155E-13 2 + 8.07565094E+03-9.52337092E+01-6.75165501E-01 7.11763903E-02 6.87369243E-05 3 +-1.32630233E-07 5.29863287E-11 1.65633101E+04 3.60224626E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + +! ring(Cyclopentadiene) + radical(Tertalkyl) +C13H20R(281) C 13H 20 G 100.000 5000.000 1536.03 1 + 5.52901740E+01 1.46936356E-01-6.04137543E-05 1.09482114E-08-7.40053173E-13 2 +-2.14422997E+04-2.37658111E+02-1.19235380E+01 3.21968566E-01-2.31340231E-04 3 + 8.51335673E-08-1.28142513E-11-7.93834740E+02 1.15457430E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + radical(Allyl_S) +C10H12L(282) C 10H 12 G 100.000 5000.000 1110.41 1 + 4.67926740E+01 1.24545041E-01-5.08116673E-05 9.43928344E-09-6.59066271E-13 2 + 7.18134219E+02-1.98933211E+02-9.62825648E+00 2.58062829E-01-1.36985157E-04 3 + 4.62670756E-09 1.31560844E-11 1.75468370E+04 9.85301431E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) + ring(Cyclopentene) + radical(cyclopentene-allyl) +C12H15(283) C 12H 15 G 100.000 5000.000 1005.93 1 + 1.99691331E+01 5.57266573E-02-2.21085282E-05 4.21295591E-09-3.05142957E-13 2 + 2.35092301E+04-8.06598604E+01-4.75292206E-01 7.08271976E-02 5.40813811E-05 3 +-1.11697701E-07 4.47594763E-11 3.09714893E+04 3.47404626E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-Cds(Cds-Cds)Cs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + ring(Cyclopentadiene) +C11H12(284) C 11H 12 G 100.000 5000.000 969.30 1 + 2.32101710E+01 3.73349336E-02-1.30720576E-05 2.47777419E-09-1.85664894E-13 2 + 2.23279044E+04-1.00122562E+02-6.61237102E-02 5.94305697E-02 6.71850814E-05 3 +-1.31437788E-07 5.46557419E-11 3.03146282E+04 2.93683666E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) +C6H9R(285) C 6H 9 G 100.000 5000.000 1496.70 1 + 4.37846280E+01 1.05270679E-01-4.26232791E-05 7.68732307E-09-5.19198149E-13 2 +-2.72453682E+04-1.85921973E+02-8.21480693E+00 2.44243188E-01-1.81903818E-04 3 + 6.97269905E-08-1.08820610E-11-1.16800380E+04 8.59140709E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_T) +C7H12R(286) C 7H 12 G 100.000 5000.000 1580.17 1 + 4.62652164E+01 1.13668270E-01-4.55330125E-05 8.12307091E-09-5.43225968E-13 2 +-2.75685487E+04-1.99330797E+02-8.78896387E+00 2.53032261E-01-1.77827612E-04 3 + 6.39380981E-08-9.37385076E-12-1.01697200E+04 9.14623523E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CC=CCJ) +C6H8R(287) C 6H 8 G 100.000 5000.000 1539.96 1 + 4.68743396E+01 9.75908404E-02-3.81763967E-05 6.74829644E-09-4.49821150E-13 2 +-1.45116431E+04-2.03189214E+02-8.47592784E+00 2.41360748E-01-1.78214924E-04 3 + 6.73722918E-08-1.02915828E-11 2.53588600E+03 8.77419564E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical(cyclopentene-allyl) +C6H8R(288) C 6H 8 G 100.000 5000.000 1094.49 1 + 3.86979026E+01 1.09951958E-01-4.48885611E-05 8.36167958E-09-5.85531690E-13 2 +-1.45451027E+04-1.62828066E+02-7.28502180E+00 2.11681446E-01-9.34127642E-05 3 +-1.74479171E-08 1.79564772E-11-5.07115572E+02 8.13120874E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) +C10H13LR(289) C 10H 13 G 100.000 5000.000 1454.92 1 + 7.81281481E+01 2.06926233E-01-8.58227468E-05 1.56912660E-08-1.06946036E-12 2 +-3.31639533E+04-3.40193528E+02-1.92910744E+01 4.74757091E-01-3.61949085E-04 3 + 1.42215156E-07-2.28099093E-11-4.81619691E+03 1.66326438E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds- +! Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) +C6H8(290) C 6H 8 G 100.000 5000.000 960.58 1 + 1.30050803E+01 2.22419877E-02-7.40377667E-06 1.39943163E-09-1.06266736E-13 2 + 7.40239242E+03-4.64344790E+01 2.32690993E+00 1.71726183E-02 7.78631591E-05 3 +-1.11460906E-07 4.32380665E-11 1.17391865E+04 1.65476731E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(RCCJ) +C8H12R(291) C 8H 12 G 100.000 5000.000 1370.97 1 + 3.77104261E+01 1.32594171E-01-5.66340571E-05 1.05173901E-08-7.24244360E-13 2 +-3.02402958E+03-1.43761914E+02-8.46245443E+00 2.67309434E-01-2.04027412E-04 3 + 8.21905391E-08-1.37939660E-11 9.63636154E+03 9.35641778E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Allyl_P) +C10H12L(292) C 10H 12 G 100.000 5000.000 1102.77 1 + 4.89601926E+01 1.21295280E-01-4.91845567E-05 9.12345880E-09-6.37224805E-13 2 +-7.06033204E+01-2.10352879E+02-9.99118930E+00 2.65713812E-01-1.51210361E-04 3 + 1.37255366E-08 1.12587201E-11 1.71519702E+04 9.89567317E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + radical(Tertalkyl) +C9H12L(293) C 9H 12 G 100.000 5000.000 1619.67 1 + 5.14954781E+01 1.14037776E-01-4.56622488E-05 8.13216036E-09-5.42451405E-13 2 +-8.37120028E+03-2.26684529E+02-9.57592324E+00 2.64860899E-01-1.85340645E-04 3 + 6.56242418E-08-9.41642420E-12 1.14120584E+04 9.74001583E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) +! + group(Cds-CdsHH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) +C12H18L(294) C 12H 18 G 100.000 5000.000 1078.71 1 + 4.86050683E+01 1.47005829E-01-6.03435857E-05 1.13135436E-08-7.96763138E-13 2 +-2.47131817E+04-2.17226110E+02-1.04350160E+01 2.66791439E-01-8.90473484E-05 3 +-5.61505793E-08 3.45854123E-11-6.20759016E+03 9.88178954E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) +C11H15LR(295) C 11H 15 G 100.000 5000.000 1449.34 1 + 7.92685401E+01 2.13852682E-01-8.81535441E-05 1.60685594E-08-1.09346174E-12 2 +-3.84654284E+04-3.45420502E+02-1.99361915E+01 4.87644789E-01-3.71514971E-04 3 + 1.46408650E-07-2.35760638E-11-9.70907349E+03 1.70000948E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! longDistanceInteraction_noncyclic(CdCs-ST) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) +! + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! ring(3-Methylenecyclopentene) +C12H15R(296) C 12H 15 G 100.000 5000.000 1101.22 1 + 5.32967442E+01 1.30040239E-01-5.21966462E-05 9.63099414E-09-6.70759027E-13 2 +-1.26899407E+04-2.31436671E+02-1.13537145E+01 2.92946918E-01-1.76124435E-04 3 + 2.53445569E-08 9.22677831E-12 5.91007876E+03 1.06499358E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- +! Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + radical(Allyl_T) +C11H14L(297) C 11H 14 G 100.000 5000.000 1108.28 1 + 4.79475878E+01 1.31462259E-01-5.31428736E-05 9.81758911E-09-6.83205397E-13 2 +-4.59537980E+03-2.04252788E+02-1.02533736E+01 2.70725501E-01-1.45810557E-04 3 + 7.92262414E-09 1.27458344E-11 1.26530624E+04 1.02132105E+02 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +! + ring(4-Methylenecyclopentene) + ring(Cyclopentene) + radical(cyclopentene-allyl) +C11H13(298) C 11H 13 G 100.000 5000.000 989.86 1 + 1.88612200E+01 4.74361573E-02-1.83579000E-05 3.52896278E-09-2.59829397E-13 2 + 2.84828367E+04-7.57294525E+01 3.76954178E-01 5.07442303E-02 8.48064841E-05 3 +-1.38809372E-07 5.40903905E-11 3.56394778E+04 3.09236242E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) +! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! radical(Tertalkyl) +C9H13LR(299) C 9H 13 G 100.000 5000.000 1363.25 1 + 6.40224319E+01 2.25570174E-01-9.63824411E-05 1.79123546E-08-1.23444983E-12 2 +-3.33183653E+04-2.60111222E+02-1.77743107E+01 4.65574041E-01-3.60460148E-04 3 + 1.47052931E-07-2.49168093E-11-1.10163677E+04 1.59857686E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) +C12H15R(300) C 12H 15 G 100.000 5000.000 1566.57 1 + 5.95575332E+01 1.21837260E-01-4.83652283E-05 8.60922637E-09-5.75606012E-13 2 +-1.48928004E+04-2.67805817E+02-1.17064415E+01 3.03796420E-01-2.22589666E-04 3 + 8.27507836E-08-1.24072639E-11 7.43552470E+03 1.07992281E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + +! group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) +C12H15R(301) C 12H 15 G 100.000 5000.000 1121.26 1 + 5.28560347E+01 1.30821508E-01-5.27434898E-05 9.72419232E-09-6.75562712E-13 2 +-1.33846614E+04-2.28974063E+02-1.13295304E+01 2.93067172E-01-1.80521300E-04 3 + 3.26189719E-08 6.05418605E-12 5.20386424E+03 1.06736092E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! longDistanceInteraction_noncyclic(CdCs-ST) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! ring(4-Methylenecyclopentene) +C12H15R(302) C 12H 15 G 100.000 5000.000 1566.54 1 + 5.97034512E+01 1.21522555E-01-4.81854252E-05 8.57260354E-09-5.72988978E-13 2 +-1.44632860E+04-2.68423304E+02-1.17270099E+01 3.03913746E-01-2.22830175E-04 3 + 8.28958533E-08-1.24340930E-11 7.91635073E+03 1.08250012E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + +! group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- +! CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) +C12H15R(303) C 12H 15 G 100.000 5000.000 1509.92 1 + 4.91975772E+01 1.39151282E-01-5.82067546E-05 1.06500139E-08-7.24423565E-13 2 +-8.64298886E+03-2.08552974E+02-1.04420453E+01 2.97145375E-01-2.15162813E-04 3 + 7.99499441E-08-1.21985275E-11 9.36722656E+03 1.03748645E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) +C12H15R(304) C 12H 15 G 100.000 5000.000 1570.17 1 + 5.82448591E+01 1.23933856E-01-4.96312630E-05 8.87115226E-09-5.94391818E-13 2 +-1.46950919E+04-2.60161386E+02-1.14775739E+01 3.01552705E-01-2.19313678E-04 3 + 8.09158634E-08-1.20653221E-11 7.19996120E+03 1.07666175E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) +! + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! longDistanceInteraction_noncyclic(CdCs-ST) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) +! + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C12H16R2(305) C 12H 16 G 100.000 5000.000 1367.88 1 + 7.49182078E+01 2.28883730E-01-9.65425787E-05 1.78478308E-08-1.22699888E-12 2 +-4.02861270E+04-3.17420770E+02-2.01527715E+01 5.06891695E-01-4.01400707E-04 3 + 1.66426273E-07-2.83817039E-11-1.42768259E+04 1.71024478E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + ring(Cyclopentene) +C12H15R(306) C 12H 15 G 100.000 5000.000 1045.62 1 + 5.09879540E+01 1.32957435E-01-5.32670860E-05 9.95872650E-09-7.04515305E-13 2 +-1.85994022E+04-2.24591977E+02-1.02538597E+01 2.61993632E-01-8.73990844E-05 3 +-6.45399332E-08 4.01227978E-11-3.90491958E+01 1.01107447E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- +! CdsHH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) +C10H12L(307) C 10H 12 G 100.000 5000.000 1054.34 1 + 4.32426324E+01 1.29003761E-01-5.23476746E-05 9.81631649E-09-6.94021279E-13 2 +-7.66140816E+02-1.88955834E+02-8.48136992E+00 2.27334262E-01-5.29562429E-05 3 +-7.78704657E-08 4.09810636E-11 1.55823333E+04 8.91250401E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) +! + group(Cds-CdsHH) + ring(Cyclopentene) + ring(3-Methylenecyclopentene) +C12H16(308) C 12H 16 G 100.000 5000.000 973.93 1 + 2.47896556E+01 4.92569612E-02-1.77262251E-05 3.34919676E-09-2.47862163E-13 2 + 4.79890772E+03-1.06726844E+02-6.96750795E-01 6.86591236E-02 8.37234371E-05 3 +-1.55992310E-07 6.37298489E-11 1.38075240E+04 3.63194390E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + ring(4-Methylenecyclopentene) +C12H16(309) C 12H 16 G 100.000 5000.000 1007.90 1 + 2.01685406E+01 5.76924436E-02-2.27934757E-05 4.31989249E-09-3.11426264E-13 2 + 8.31377843E+03-8.04000555E+01-6.85203365E-01 7.59088552E-02 4.61534421E-05 3 +-1.04820152E-07 4.25190020E-11 1.57959363E+04 3.66350417E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsHH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) +C13H20R(310) C 13H 20 G 100.000 5000.000 1091.31 1 + 5.04813045E+01 1.53836435E-01-6.32627676E-05 1.18373053E-08-8.31277744E-13 2 +-2.82779548E+04-2.25616322E+02-1.12013093E+01 2.82936615E-01-1.07401948E-04 3 +-4.26356601E-08 3.03034765E-11-9.03970541E+03 1.03816805E+02 4 + +! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + +! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(RCCJC) +C9H13(311) C 9H 13 G 100.000 5000.000 1020.42 1 + 1.52751021E+01 4.48755251E-02-1.75873483E-05 3.26476702E-09-2.30779405E-13 2 + 2.00474614E+04-4.90015136E+01 2.48245644E-01 6.57148136E-02 7.73406415E-06 3 +-4.98347311E-08 2.17345665E-11 2.50960097E+04 3.35088366E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) +C9H13(312) C 9H 13 G 100.000 5000.000 975.61 1 + 1.50453950E+01 4.44172801E-02-1.64120137E-05 3.12448791E-09-2.31051489E-13 2 + 1.07468493E+04-6.29402923E+01 1.47644945E+00 2.62858363E-02 1.24876973E-04 3 +-1.70920810E-07 6.42267959E-11 1.69049497E+04 2.01782574E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s3_5_6_ane) - +! ring(Cyclohexane) - ring(Cyclopentane) + ring(Cyclohexene) + ring(Cyclopentene) + radical(cyclopentene-4) +C9H13(313) C 9H 13 G 100.000 5000.000 993.35 1 + 1.38864816E+01 4.43859201E-02-1.69449497E-05 3.18051734E-09-2.29181922E-13 2 + 1.61216173E+04-4.99309158E+01 1.03151087E+00 4.40857005E-02 6.21277556E-05 3 +-1.02651337E-07 3.96851728E-11 2.12442220E+04 2.49306389E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + Estimated bicyclic component: +! polycyclic(s3_5_6_ane) - ring(Cyclohexane) - ring(Cyclopentane) + ring(Cyclohexene) + ring(Cyclopentene) + radical(cyclopentene-4) +C9H12L(314) C 9H 12 G 100.000 5000.000 1115.22 1 + 4.32555984E+01 1.24524214E-01-5.12105081E-05 9.55202957E-09-6.68057437E-13 2 +-9.07274619E+03-1.86791074E+02-8.78856957E+00 2.40726590E-01-1.12726488E-04 3 +-1.03325165E-08 1.64906218E-11 6.91738784E+03 8.96138009E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + longDistanceInteraction_noncyclic(CdCs-ST) +! + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds- +! CdsHH) + group(Cds-CdsHH) +C12H16R2(315) C 12H 16 G 100.000 5000.000 1413.35 1 + 8.33996824E+01 2.14296151E-01-8.82038371E-05 1.61043146E-08-1.09867304E-12 2 +-4.59728806E+04-3.65606215E+02-2.10361373E+01 5.09865154E-01-4.01893034E-04 3 + 1.64068879E-07-2.72712897E-11-1.64519490E+04 1.74367358E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) +! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + +! radical(Tertalkyl) +C10H14R(316) C 10H 14 G 100.000 5000.000 1599.31 1 + 5.21435275E+01 1.22747800E-01-4.95840363E-05 8.87931988E-09-5.94684328E-13 2 +-1.13420894E+04-2.28013417E+02-1.01072499E+01 2.78444805E-01-1.95615690E-04 3 + 6.97532343E-08-1.01105154E-11 8.56919559E+03 1.01540673E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs- +! CsCsCsH) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + ring(Cyclopentene) +C12H15R(317) C 12H 15 G 100.000 5000.000 1037.14 1 + 5.30029988E+01 1.30970986E-01-5.27686498E-05 9.95357841E-09-7.09794145E-13 2 +-1.88368065E+04-2.37419592E+02-1.02222875E+01 2.57296870E-01-6.55076470E-05 3 +-9.11087628E-08 4.99854435E-11 5.98459052E+02 1.00382516E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C10H15R2(318) C 10H 15 G 100.000 5000.000 1355.88 1 + 6.48923760E+01 2.34027846E-01-1.00205863E-04 1.86439044E-08-1.28584006E-12 2 +-3.64309755E+04-2.62779005E+02-1.83551748E+01 4.79622119E-01-3.71910014E-04 3 + 1.52239393E-07-2.59189122E-11-1.38566552E+04 1.64185540E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C12H16R2(319) C 12H 16 G 100.000 5000.000 1364.97 1 + 7.32568163E+01 2.31629150E-01-9.81770621E-05 1.81902836E-08-1.25200381E-12 2 +-4.04290027E+04-3.08010365E+02-1.99203422E+01 5.04682678E-01-3.98243478E-04 3 + 1.64746576E-07-2.80944949E-11-1.49922821E+04 1.70505691E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopentene) + ring(4-Methylenecyclopentene) +C12H15R(320) C 12H 15 G 100.000 5000.000 1108.27 1 + 4.81156341E+01 1.38572670E-01-5.67697519E-05 1.05703338E-08-7.38941725E-13 2 +-1.58714263E+04-2.08210153E+02-1.03563684E+01 2.70387581E-01-1.27948988E-04 3 +-1.11141812E-08 1.87027144E-11 1.95448798E+03 1.01844708E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs- +! CsCsCsH) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) + ring(Cyclopentene) +C12H15R(321) C 12H 15 G 100.000 5000.000 1084.96 1 + 4.96521104E+01 1.37352066E-01-5.66937498E-05 1.06617199E-08-7.52027632E-13 2 +-1.58912542E+04-2.18311953E+02-1.02895188E+01 2.65324082E-01-1.05017405E-04 3 +-3.86667868E-08 2.88228288E-11 2.59041064E+03 1.00990072E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! longDistanceInteraction_noncyclic(CdCs-ST) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! ring(Cyclopentadiene) +C12H15R(322) C 12H 15 G 100.000 5000.000 1120.49 1 + 5.42122866E+01 1.28875703E-01-5.18517778E-05 9.55320308E-09-6.63627486E-13 2 +-1.35104046E+04-2.34993590E+02-1.15586144E+01 2.97943860E-01-1.90196864E-04 3 + 3.95153832E-08 4.33150337E-12 5.35460832E+03 1.08206578E+02 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) + ring(Cyclopentene) + radical(cyclopentene-allyl) +C12H15(323) C 12H 15 G 100.000 5000.000 1005.93 1 + 1.99691331E+01 5.57266573E-02-2.21085282E-05 4.21295591E-09-3.05142957E-13 2 + 2.35092301E+04-8.06598604E+01-4.75292206E-01 7.08271976E-02 5.40813811E-05 3 +-1.11697701E-07 4.47594763E-11 3.09714893E+04 3.47404626E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Allyl_S) +C10H12R(324) C 10H 12 G 100.000 5000.000 1130.09 1 + 4.77019309E+01 1.23395173E-01-5.04768003E-05 9.36410953E-09-6.52167136E-13 2 +-1.01110988E+02-2.02457405E+02-9.82525317E+00 2.62964078E-01-1.50713493E-04 3 + 1.83423061E-08 8.45680674E-12 1.69910304E+04 1.00209205E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +C6H11L(325) C 6H 11 G 100.000 5000.000 1564.42 1 + 4.51550659E+01 1.08747733E-01-4.37801313E-05 7.84222614E-09-5.26095308E-13 2 +-4.13707398E+04-1.93993006E+02-8.39137388E+00 2.45659418E-01-1.75055031E-04 3 + 6.37845315E-08-9.46594652E-12-2.46170421E+04 8.83000510E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Allyl_P) +C11H14L(326) C 11H 14 G 100.000 5000.000 1159.19 1 + 5.18748785E+01 1.26696372E-01-5.13420989E-05 9.44350661E-09-6.53110687E-13 2 +-5.86660295E+03-2.23260987E+02-1.09859061E+01 2.87295795E-01-1.86288626E-04 3 + 4.51442470E-08 6.85840546E-13 1.24903709E+04 1.05611282E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) +C11H14L(327) C 11H 14 G 100.000 5000.000 1075.65 1 + 4.49249188E+01 1.36362759E-01-5.55793534E-05 1.03808249E-08-7.29615532E-13 2 +-5.99637189E+03-1.97149095E+02-9.37889537E+00 2.47891166E-01-8.50291790E-05 3 +-4.95066735E-08 3.13503350E-11 1.09163560E+04 9.31079970E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! ring(3-Methylenecyclopentene) + radical(RCCJCC) +C8H10L(328) C 8H 10 G 100.000 5000.000 1675.70 1 + 5.27704388E+01 1.02196603E-01-3.99298263E-05 6.99685757E-09-4.61051195E-13 2 +-5.13240004E+03-2.35397875E+02-9.19178974E+00 2.50105757E-01-1.72331765E-04 3 + 5.96726547E-08-8.31990404E-12 1.56334155E+04 9.55202689E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- +! CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + ring(4-Methylenecyclopentene) + ring(Cyclopentadiene) +C11H12(329) C 11H 12 G 100.000 5000.000 1008.47 1 + 1.85648707E+01 4.58099841E-02-1.81614924E-05 3.45360165E-09-2.49647913E-13 2 + 2.58534430E+04-7.36586571E+01-5.38207094E-02 6.66753725E-02 2.96109196E-05 3 +-8.02238899E-08 3.34087031E-11 3.23030057E+04 2.96810218E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +C7H13R(330) C 7H 13 G 100.000 5000.000 1544.24 1 + 4.58719794E+01 1.17378589E-01-4.76702753E-05 8.58413912E-09-5.78023397E-13 2 +-4.43856574E+04-1.95737042E+02-8.93351030E+00 2.59341587E-01-1.85568136E-04 3 + 6.81170857E-08-1.02160583E-11-2.74593217E+04 9.24817526E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) +! + ring(Cyclopentadiene) +C11H14(331) C 11H 14 G 100.000 5000.000 1021.14 1 + 2.12456556E+01 4.70248661E-02-1.84733261E-05 3.45361092E-09-2.45834564E-13 2 + 1.89080008E+04-8.16848650E+01-1.02019676E+00 9.02205422E-02-1.72569008E-05 3 +-3.95602614E-08 2.06213940E-11 2.57505646E+04 3.74394582E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + +! radical(Tertalkyl) +C9H14L(332) C 9H 14 G 100.000 5000.000 1636.21 1 + 5.01365679E+01 1.21884142E-01-4.93876034E-05 8.83774658E-09-5.90702002E-13 2 +-2.18242154E+04-2.19086918E+02-9.50360995E+00 2.67685012E-01-1.83051024E-04 3 + 6.32983572E-08-8.91185889E-12-2.30745497E+03 9.80082180E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsHH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) +C10H12R(333) C 10H 12 G 100.000 5000.000 1060.88 1 + 4.25509224E+01 1.30055873E-01-5.29997522E-05 9.94139808E-09-7.02123682E-13 2 +-8.54507959E+02-1.84121046E+02-8.42457175E+00 2.26839404E-01-5.49303628E-05 3 +-7.36270764E-08 3.89703434E-11 1.53306672E+04 9.01252889E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopentadiene) +C12H15R(334) C 12H 15 G 100.000 5000.000 1539.92 1 + 5.82560822E+01 1.24090994E-01-4.98545697E-05 8.94198204E-09-6.01151929E-13 2 +-1.46526618E+04-2.58637641E+02-1.16163917E+01 3.05590010E-01-2.26651084E-04 3 + 8.54823603E-08-1.30273644E-11 6.86662888E+03 1.08621714E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- +! CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- +! CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) +C12H16(335) C 12H 16 G 100.000 5000.000 987.69 1 + 2.55240701E+01 4.88991352E-02-1.80842092E-05 3.35080133E-09-2.40923780E-13 2 + 1.09066476E+04-1.05324651E+02-1.64577209E+00 9.79805587E-02-5.57506257E-08 3 +-7.12992108E-08 3.44691658E-11 1.92467773E+04 4.04681327E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- +! CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) +C12H15R(336) C 12H 15 G 100.000 5000.000 1146.49 1 + 5.39873442E+01 1.29318049E-01-5.22142853E-05 9.60472687E-09-6.65088805E-13 2 +-1.43055996E+04-2.33764440E+02-1.15486277E+01 2.98209194E-01-1.94997096E-04 3 + 4.71673406E-08 1.05782307E-12 4.64904415E+03 1.08495741E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) +! + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentene) + ring(Cyclopentadiene) + radical(cyclopentene-allyl) +C12H15(337) C 12H 15 G 100.000 5000.000 975.24 1 + 2.51290982E+01 4.66032349E-02-1.69170514E-05 3.22305879E-09-2.39926747E-13 2 + 1.95086353E+04-1.08307792E+02-6.46329897E-01 6.78208095E-02 8.04202977E-05 3 +-1.52164422E-07 6.23694308E-11 2.85545001E+04 3.59998043E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + longDistanceInteraction_noncyclic(CdCs-ST) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- +! CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C9H13R(338) C 9H 13 G 100.000 5000.000 1489.79 1 + 5.20685775E+01 1.15355757E-01-4.61744210E-05 8.28823591E-09-5.58615238E-13 2 +-2.25586072E+04-2.24828598E+02-1.03261448E+01 2.82885313E-01-2.14855469E-04 3 + 8.37728820E-08-1.32258618E-11-3.96797064E+03 1.01061358E+02 4 + +! Thermo library: DFT_QCI_thermo +[CH2]C(C)C(399) C 4H 9 G 100.000 5000.000 997.97 1 + 8.64397302E+00 2.40460607E-02-8.94850823E-06 1.61678839E-09-1.12732280E-13 2 + 4.65773611E+03-1.92473583E+01 2.22524562E+00 3.09739517E-02 8.89462565E-06 3 +-2.91784755E-08 1.23302343E-11 6.87502937E+03 1.63965282E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) +! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C5H8LR(1393) C 5H 8 G 100.000 5000.000 1506.41 1 + 7.04405345E+01 1.84501764E-01-7.60390724E-05 1.38235083E-08-9.37298334E-13 2 +-5.87975081E+04-3.06417139E+02-1.65446058E+01 4.15475658E-01-3.06030682E-04 3 + 1.15607287E-07-1.78291172E-11-3.25905131E+04 1.48876038E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) +C6H9R(1802) C 6H 9 G 100.000 5000.000 1504.36 1 + 4.56288208E+01 1.02399356E-01-4.10414092E-05 7.36453329E-09-4.95919636E-13 2 +-2.66447750E+04-1.95634607E+02-8.45753100E+00 2.46211293E-01-1.84436224E-04 3 + 7.09107125E-08-1.10562306E-11-1.03716699E+04 8.73880072E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) +C4H6L(1895) C 4H 6 G 100.000 5000.000 1593.00 1 + 4.33849203E+01 9.02594348E-02-3.59592663E-05 6.39964638E-09-4.27254132E-13 2 +-1.41722103E+04-1.86001744E+02-7.19621921E+00 2.17267987E-01-1.55553045E-04 3 + 5.64493714E-08-8.28189023E-12 1.94293555E+03 8.15745401E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- +! CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C10H17LR(3394) C 10H 17 G 100.000 5000.000 1363.67 1 + 6.24274804E+01 2.43819760E-01-1.04889278E-04 1.95421835E-08-1.34811735E-12 2 +-4.89368677E+04-2.48596878E+02-1.81952219E+01 4.80304532E-01-3.65013191E-04 3 + 1.46709310E-07-2.46612538E-11-2.69480688E+04 1.65369479E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C13H22R(4080) C 13H 22 G 100.000 5000.000 1332.73 1 + 4.39596099E+01 1.70901018E-01-7.31500645E-05 1.36090236E-08-9.38831369E-13 2 +-2.31905448E+04-1.69217107E+02-1.15783035E+01 3.37588221E-01-2.60755850E-04 3 + 1.07453276E-07-1.85423869E-11-8.38696172E+03 1.14674001E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C13H22R(4084) C 13H 22 G 100.000 5000.000 1332.73 1 + 4.39596099E+01 1.70901018E-01-7.31500645E-05 1.36090236E-08-9.38831369E-13 2 +-2.33666715E+04-1.69061109E+02-1.15783035E+01 3.37588221E-01-2.60755850E-04 3 + 1.07453276E-07-1.85423869E-11-8.56308836E+03 1.14829999E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C12H20L(4086) C 12H 20 G 100.000 5000.000 1343.09 1 + 4.30824334E+01 1.62449426E-01-6.93276915E-05 1.28773105E-08-8.87402565E-13 2 +-2.00726048E+04-1.66504198E+02-1.09928942E+01 3.23495845E-01-2.49187554E-04 3 + 1.02153351E-07-1.75049472E-11-5.54689940E+03 1.10329126E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- +! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) +! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C12H20L(4090) C 12H 20 G 100.000 5000.000 1343.09 1 + 4.30824334E+01 1.62449426E-01-6.93276915E-05 1.28773105E-08-8.87402565E-13 2 +-2.02487314E+04-1.66348200E+02-1.09928942E+01 3.23495845E-01-2.49187554E-04 3 + 1.02153351E-07-1.75049472E-11-5.72302604E+03 1.10485123E+02 4 + +! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + +! radical(Allyl_S) +C11H17(10750) C 11H 17 G 100.000 5000.000 1601.19 1 + 2.58295759E+01 4.89505741E-02-1.88549890E-05 3.29397577E-09-2.17446350E-13 2 + 1.03965880E+04-1.04978784E+02-2.24034181E+00 1.19072833E-01-8.45453911E-05 3 + 3.06444856E-08-4.48776418E-12 1.93856913E+04 4.36563281E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds- +! CdsHH) +C11H16(11277) C 11H 16 G 100.000 5000.000 1026.62 1 + 2.41123630E+01 4.75163161E-02-1.80710165E-05 3.29081900E-09-2.29949498E-13 2 + 8.59125855E+03-9.33322142E+01-1.99468620E+00 1.13682283E-01-6.27979854E-05 3 +-1.39849878E-09 9.12678741E-12 1.58253001E+04 4.24303360E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C11H16(11279) C 11H 16 G 100.000 5000.000 1416.23 1 + 2.25806209E+01 5.10604373E-02-2.03479997E-05 3.65395552E-09-2.46928357E-13 2 + 1.10823225E+04-8.47992166E+01-1.97929174E+00 1.20427950E-01-9.38191258E-05 3 + 3.82395107E-08-6.35218711E-12 1.80387698E+04 4.22347999E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds- +! CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds- +! CdsHH) +C11H16(11281) C 11H 16 G 100.000 5000.000 1026.62 1 + 2.41123630E+01 4.75163161E-02-1.80710165E-05 3.29081900E-09-2.29949498E-13 2 + 8.41513191E+03-9.31762163E+01-1.99468620E+00 1.13682283E-01-6.27979854E-05 3 +-1.39849878E-09 9.12678741E-12 1.56491735E+04 4.25863339E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) +C6H8(18175) C 6H 8 G 100.000 5000.000 976.45 1 + 1.04853132E+01 2.62591571E-02-9.74924893E-06 1.87425933E-09-1.39653237E-13 2 + 1.02062581E+04-3.14551027E+01 2.60889969E+00 1.24234330E-02 8.23239180E-05 3 +-1.09339225E-07 4.07134457E-11 1.39422331E+04 1.76102655E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- +! CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(RCCJCC) +C9H12R(18180) C 9H 12 G 100.000 5000.000 1619.34 1 + 5.17654012E+01 1.13605856E-01-4.55417506E-05 8.11530095E-09-5.41505749E-13 2 +-7.65465181E+03-2.25468757E+02-9.60062410E+00 2.65188157E-01-1.85952470E-04 3 + 6.59208479E-08-9.46572093E-12 1.22199063E+04 1.00166616E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! ring(3-Methylenecyclopentene) + radical(RCCJCC) +C9H12R(18184) C 9H 12 G 100.000 5000.000 1653.13 1 + 5.33683416E+01 1.10951147E-01-4.38625216E-05 7.74428228E-09-5.13172696E-13 2 +-8.06556517E+03-2.36414571E+02-9.71117762E+00 2.63583675E-01-1.82358476E-04 3 + 6.35970320E-08-8.95979935E-12 1.27898884E+04 9.96150232E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(Isobutyl) +C9H13(18191) C 9H 13 G 100.000 5000.000 967.36 1 + 1.89018054E+01 3.80719362E-02-1.32314365E-05 2.39113636E-09-1.71116684E-13 2 + 1.92551335E+04-6.97045594E+01 1.10763756E-01 6.43397789E-02 2.57885721E-05 3 +-7.94609819E-08 3.51861426E-11 2.52971778E+04 3.27662510E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + radical(Isobutyl) +C9H13(18194) C 9H 13 G 100.000 5000.000 962.38 1 + 1.86029440E+01 3.82445716E-02-1.30270811E-05 2.34305353E-09-1.68045391E-13 2 + 1.97970407E+04-6.96566514E+01 2.66671340E-01 5.98558502E-02 3.83916085E-05 3 +-9.22289816E-08 3.97135126E-11 2.58548381E+04 3.12388617E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + +! ring(Cyclopentadiene) + radical(RCCJCC) +C8H10L(18195) C 8H 10 G 100.000 5000.000 1640.87 1 + 5.11295546E+01 1.04888977E-01-4.16210545E-05 7.36918977E-09-4.89405441E-13 2 +-4.69456631E+03-2.24218767E+02-9.07407869E+00 2.51646775E-01-1.75777313E-04 3 + 6.18744193E-08-8.79358391E-12 1.50630344E+04 9.60444185E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) +! + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Cs_S) +C9H12R(18224) C 9H 12 G 100.000 5000.000 1211.07 1 + 4.71305456E+01 1.20321011E-01-4.91774548E-05 9.03393075E-09-6.21868195E-13 2 +-5.61762851E+03-1.98872491E+02-9.64095973E+00 2.61224216E-01-1.65972338E-04 3 + 4.15510339E-08-7.74890147E-13 1.15510104E+04 9.99997896E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Cs_S) +C9H12R(18225) C 9H 12 G 100.000 5000.000 1211.07 1 + 4.71305456E+01 1.20321011E-01-4.91774548E-05 9.03393075E-09-6.21868195E-13 2 +-5.21505334E+03-1.98872491E+02-9.64095973E+00 2.61224216E-01-1.65972338E-04 3 + 4.15510339E-08-7.74890147E-13 1.19535855E+04 9.99997896E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- +! CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + radical(Tertalkyl) +C13H20R(18248) C 13H 20 G 100.000 5000.000 1565.04 1 + 5.67016011E+01 1.44503695E-01-5.88244035E-05 1.05923648E-08-7.12624714E-13 2 +-2.17313907E+04-2.47450663E+02-1.20060982E+01 3.20110238E-01-2.27133368E-04 3 + 8.22877637E-08-1.21652906E-11-2.25367688E+02 1.14799113E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds- +! Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds- +! CdsHH) + ring(3-Methylenecyclopentene) + radical(Tertalkyl) +C12H18L(18253) C 12H 18 G 100.000 5000.000 1582.02 1 + 5.60165287E+01 1.35832099E-01-5.49157544E-05 9.84687935E-09-6.60447286E-13 2 +-1.87351166E+04-2.45895518E+02-1.14672541E+01 3.06458465E-01-2.16695496E-04 3 + 7.80210103E-08-1.14336877E-11 2.61708596E+03 1.10629907E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + +! group(Cds-CdsHH) + ring(Cyclopentadiene) +C9H11R(18275) C 9H 11 G 100.000 5000.000 1100.71 1 + 4.64039004E+01 1.17970498E-01-4.78584958E-05 8.88283769E-09-6.20699043E-13 2 +-1.31586803E+04-1.98475872E+02-9.30771329E+00 2.52217829E-01-1.37851914E-04 3 + 7.09038179E-09 1.25733071E-11 3.23780736E+03 9.44160767E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) +! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- +! Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) +C9H11R(18276) C 9H 11 G 100.000 5000.000 1120.57 1 + 4.59016995E+01 1.18851921E-01-4.84613148E-05 8.98895501E-09-6.26555569E-13 2 +-1.34989501E+04-1.93193131E+02-9.27435806E+00 2.52234080E-01-1.41906101E-04 3 + 1.39531954E-08 9.56129435E-12 2.85828331E+03 9.70906588E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsCs) + longDistanceInteraction_noncyclic(CdCs-ST) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopentadiene) +C10H13R(18278) C 10H 13 G 100.000 5000.000 1155.88 1 + 4.92133572E+01 1.23539073E-01-5.01080559E-05 9.22385183E-09-6.38276783E-13 2 +-1.84032366E+04-2.10783884E+02-1.02918895E+01 2.73684904E-01-1.72572989E-04 3 + 3.81102530E-08 2.14318899E-12-9.21043564E+02 1.01032197E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsCs) + longDistanceInteraction_noncyclic(CdCs-ST) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) +C10H13R(18279) C 10H 13 G 100.000 5000.000 1613.90 1 + 5.39553562E+01 1.17522867E-01-4.72316512E-05 8.43232335E-09-5.63439253E-13 2 +-1.90712730E+04-2.40045239E+02-1.01722637E+01 2.76461599E-01-1.94953806E-04 3 + 6.94532790E-08-1.00158731E-11 1.62778045E+03 1.00028189E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! longDistanceInteraction_noncyclic(CdCs-ST) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) +! + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) +C10H13R(18280) C 10H 13 G 100.000 5000.000 1128.24 1 + 4.80453185E+01 1.25097114E-01-5.06656443E-05 9.34950674E-09-6.49232783E-13 2 +-1.74640625E+04-2.05781422E+02-1.00744175E+01 2.68567094E-01-1.58203715E-04 3 + 2.37274726E-08 7.05901695E-12-3.66163154E+02 9.92780196E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- +! CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds- +! Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) +C10H13R(18281) C 10H 13 G 100.000 5000.000 1193.97 1 + 4.93723967E+01 1.23391695E-01-5.01553629E-05 9.20507471E-09-6.34159745E-13 2 +-1.95584116E+04-2.11603207E+02-1.02961800E+01 2.74077575E-01-1.77635937E-04 3 + 4.58628895E-08-1.08128008E-12-1.80203794E+03 1.01531430E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) +C10H13R(18282) C 10H 13 G 100.000 5000.000 1620.64 1 + 5.25981785E+01 1.19781038E-01-4.85964656E-05 8.71291333E-09-5.83422748E-13 2 +-1.95291565E+04-2.32211815E+02-9.92129122E+00 2.74089076E-01-1.91417798E-04 3 + 6.74638905E-08-9.64634752E-12 7.35162295E+02 9.95942330E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds- +! Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) +C10H13R(18283) C 10H 13 G 100.000 5000.000 1154.95 1 + 4.78082674E+01 1.25563905E-01-5.10437234E-05 9.40494946E-09-6.51033517E-13 2 +-1.84317050E+04-2.04330720E+02-1.00559197E+01 2.68730723E-01-1.62644723E-04 3 + 3.09137723E-08 3.98155840E-12-1.24821734E+03 9.96927705E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- +! Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Tertalkyl) +C10H14R(18285) C 10H 14 G 100.000 5000.000 1587.35 1 + 5.31776111E+01 1.20993560E-01-4.87198188E-05 8.71779440E-09-5.83932265E-13 2 +-1.28219333E+04-2.33344630E+02-1.03003126E+01 2.80951512E-01-1.99874020E-04 3 + 7.22000124E-08-1.05819806E-11 7.33059684E+03 1.02231256E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) +C9H12(18323) C 9H 12 G 100.000 5000.000 982.75 1 + 1.89107369E+01 3.63666451E-02-1.34842993E-05 2.54168536E-09-1.85861696E-13 2 + 1.08194105E+04-7.16306909E+01 3.53787107E-01 5.77874217E-02 3.64101363E-05 3 +-8.73313299E-08 3.69291821E-11 1.70797398E+04 3.08670946E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) +C12H16(18374) C 12H 16 G 100.000 5000.000 994.19 1 + 2.58641648E+01 4.86583387E-02-1.82500544E-05 3.38992408E-09-2.43260380E-13 2 + 1.05229069E+04-1.05761894E+02-1.80514980E+00 1.02500634E-01-1.27586425E-05 3 +-5.84483996E-08 2.99306817E-11 1.88653955E+04 4.18522470E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) +C12H16(18375) C 12H 16 G 100.000 5000.000 1065.20 1 + 2.14584708E+01 5.64251710E-02-2.26412480E-05 4.20340675E-09-2.94843321E-13 2 + 1.43524559E+04-8.23038040E+01-1.68546041E+00 1.05780150E-01-3.92583659E-05 3 +-1.84948383E-08 1.28005365E-11 2.14135685E+04 4.08147701E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- +! Cds(Cds-Cds)Cs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- +! CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) +C12H16(18376) C 12H 16 G 100.000 5000.000 987.70 1 + 2.55244095E+01 4.88985567E-02-1.80838750E-05 3.35072229E-09-2.40917219E-13 2 + 1.10826320E+04-1.05482559E+02-1.64585932E+00 9.79816089E-02-5.95105135E-08 3 +-7.12942373E-08 3.44670116E-11 1.94229077E+04 4.03124461E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopentadiene) +C12H16(18377) C 12H 16 G 100.000 5000.000 1064.39 1 + 2.27412836E+01 5.46812825E-02-2.18684916E-05 4.05537676E-09-2.84435377E-13 2 + 1.37630057E+04-8.81211193E+01-1.91107798E+00 1.10723975E-01-4.92659731E-05 3 +-1.10919254E-08 1.08615853E-11 2.10842727E+04 4.20901403E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) +C12H16(18378) C 12H 16 G 100.000 5000.000 1746.41 1 + 2.51065848E+01 5.23259740E-02-2.09531788E-05 3.70200237E-09-2.44413123E-13 2 + 1.42272291E+04-1.03747827E+02-1.82618201E+00 1.14011909E-01-7.39344784E-05 3 + 2.39264440E-08-3.13950094E-12 2.36345460E+04 4.12044315E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds- +! CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) +C12H16(18379) C 12H 16 G 100.000 5000.000 1044.58 1 + 2.22120224E+01 5.52291776E-02-2.18738543E-05 4.05569310E-09-2.85308057E-13 2 + 1.44072610E+04-8.67655149E+01-1.73729761E+00 1.06055197E-01-3.61525961E-05 3 +-2.42984814E-08 1.54676510E-11 2.16411404E+04 4.04970666E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) +C12H16(18380) C 12H 16 G 100.000 5000.000 994.19 1 + 2.58641648E+01 4.86583387E-02-1.82500544E-05 3.38992408E-09-2.43260380E-13 2 + 1.03467803E+04-1.05605896E+02-1.80514980E+00 1.02500634E-01-1.27586425E-05 3 +-5.84483996E-08 2.99306817E-11 1.86892689E+04 4.20082449E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) +C12H16(18381) C 12H 16 G 100.000 5000.000 1065.19 1 + 2.14582827E+01 5.64254830E-02-2.26414247E-05 4.20344794E-09-2.94846704E-13 2 + 1.41764110E+04-8.21467419E+01-1.68542522E+00 1.05779742E-01-3.92569743E-05 3 +-1.84965754E-08 1.28012432E-11 2.12374404E+04 4.09706415E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) +! + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + ring(Cyclopentene) + radical(cyclopentene-allyl) +C12H15(18389) C 12H 15 G 100.000 5000.000 976.80 1 + 2.49169225E+01 4.70727356E-02-1.72198263E-05 3.28435118E-09-2.44159627E-13 2 + 1.94402804E+04-1.07192060E+02-6.44708514E-01 6.80809119E-02 7.89998703E-05 3 +-1.50073243E-07 6.14483047E-11 2.84255031E+04 3.59594958E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) +! + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + ring(Cyclopentene) + radical(cyclopentene-allyl) +C12H15(18406) C 12H 15 G 100.000 5000.000 976.80 1 + 2.49169225E+01 4.70727356E-02-1.72198263E-05 3.28435118E-09-2.44159627E-13 2 + 1.94402804E+04-1.07192060E+02-6.44708514E-01 6.80809119E-02 7.89998703E-05 3 +-1.50073243E-07 6.14483047E-11 2.84255031E+04 3.59594958E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! ring(4-Methylenecyclopentene) +C9H11L(18430) C 9H 11 G 100.000 5000.000 1643.33 1 + 5.37498096E+01 1.08300794E-01-4.31602818E-05 7.66032901E-09-5.09433390E-13 2 +-1.57734547E+04-2.40519974E+02-9.64935202E+00 2.62621401E-01-1.84022850E-04 3 + 6.48061877E-08-9.20314422E-12 5.06344450E+03 9.68355008E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds- +! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds- +! CdsHH) + ring(3-Methylenecyclopentene) +C9H11L(18431) C 9H 11 G 100.000 5000.000 1104.74 1 + 4.58634107E+01 1.18882489E-01-4.81921627E-05 8.93248440E-09-6.23316871E-13 2 +-1.32040565E+04-1.94882349E+02-9.26341425E+00 2.51620482E-01-1.37636088E-04 3 + 8.12267405E-09 1.19578139E-11 3.05625667E+03 9.50304747E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + +! ring(Cyclopentadiene) +C10H14(18433) C 10H 14 G 100.000 5000.000 1004.23 1 + 2.00189391E+01 4.46552536E-02-1.72332688E-05 3.22518985E-09-2.31128747E-13 2 + 5.84613587E+03-7.65618667E+01-5.02832745E-01 7.79261113E-02 5.46965077E-06 3 +-5.99087252E-08 2.74507771E-11 1.24119365E+04 3.46993551E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! ring(4-Methylenecyclopentene) +C10H14(18434) C 10H 14 G 100.000 5000.000 1104.72 1 + 1.58799143E+01 5.20019594E-02-2.13955528E-05 3.98686348E-09-2.78553542E-13 2 + 9.55229348E+03-5.46267039E+01-3.80853622E-01 8.11344282E-02-2.05639011E-05 3 +-2.08880192E-08 1.08663274E-11 1.49600590E+04 3.36565048E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- +! CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + +! ring(3-Methylenecyclopentene) +C10H14(18435) C 10H 14 G 100.000 5000.000 995.84 1 + 1.96664464E+01 4.49160723E-02-1.70785393E-05 3.18861918E-09-2.28999269E-13 2 + 6.41156017E+03-7.62101610E+01-3.43463094E-01 7.34085282E-02 1.81513153E-05 3 +-7.27115274E-08 3.19587500E-11 1.29694436E+04 3.31591252E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- +! Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(Tertalkyl) +C10H15(18437) C 10H 15 G 100.000 5000.000 1105.02 1 + 1.65677738E+01 5.31368200E-02-2.16061448E-05 3.99738422E-09-2.78086561E-13 2 + 1.49416565E+04-5.62845145E+01-6.38251526E-01 8.67305931E-02-2.82638699E-05 3 +-1.54809166E-08 9.44415760E-12 2.04958531E+04 3.63684688E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- +! Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(Allyl_P) +C11H15(18454) C 11H 15 G 100.000 5000.000 986.12 1 + 2.37160029E+01 4.54417144E-02-1.69135505E-05 3.16537039E-09-2.29574937E-13 2 + 1.93118597E+04-9.43665403E+01-9.94804424E-01 8.36558012E-02 1.92975989E-05 3 +-8.50925192E-08 3.83140576E-11 2.72009870E+04 3.97933968E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + +! ring(3-Methylenecyclopentene) + radical(Allyl_S) +C11H15(18464) C 11H 15 G 100.000 5000.000 1007.03 1 + 2.03808178E+01 5.09200717E-02-1.98853365E-05 3.73803228E-09-2.68183194E-13 2 + 2.04322186E+04-7.90356222E+01-7.02912044E-01 7.98174957E-02 1.87694122E-05 3 +-7.59368722E-08 3.29382598E-11 2.74597578E+04 3.66375166E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- +! Cds)H) + ring(Cyclopentadiene) + ring(Cyclopentene) + radical(cyclopentene-allyl) +C11H13(18468) C 11H 13 G 100.000 5000.000 966.76 1 + 2.39294792E+01 3.85838366E-02-1.33574103E-05 2.57440106E-09-1.96720943E-13 2 + 2.43611610E+04-1.02943864E+02 1.99007300E-01 4.80837913E-02 1.09505615E-04 3 +-1.77040335E-07 7.07890794E-11 3.30938673E+04 3.21741197E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + +! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- +! CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) +C10H13R(18540) C 10H 13 G 100.000 5000.000 1622.68 1 + 5.43810019E+01 1.17023216E-01-4.70833089E-05 8.40685416E-09-5.61560093E-13 2 +-1.87306299E+04-2.41742038E+02-1.01753639E+01 2.76157993E-01-1.94186600E-04 3 + 6.88430560E-08-9.87270754E-12 2.22028714E+03 1.00955659E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentene) + ring(Cyclopentadiene) +C12H16(18679) C 12H 16 G 100.000 5000.000 976.30 1 + 2.75366833E+01 4.62647066E-02-1.69245278E-05 3.28328506E-09-2.48086659E-13 2 + 3.99107131E+03-1.21969723E+02-8.49011537E-01 6.84798627E-02 9.34957204E-05 3 +-1.70824612E-07 6.96114375E-11 1.40175161E+04 3.72575226E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) +! + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentene) + ring(Cyclopentadiene) +C12H16(18680) C 12H 16 G 100.000 5000.000 977.49 1 + 2.50955566E+01 4.90730841E-02-1.79243955E-05 3.39586972E-09-2.50819691E-13 2 + 4.25381012E+03-1.06814824E+02-8.51768115E-01 7.31300967E-02 7.11786112E-05 3 +-1.43321229E-07 5.92545799E-11 1.32498267E+04 3.78437846E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) +! + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentene) + ring(Cyclopentadiene) +C12H16(18717) C 12H 16 G 100.000 5000.000 977.49 1 + 2.50955566E+01 4.90730841E-02-1.79243955E-05 3.39586972E-09-2.50819691E-13 2 + 4.25381012E+03-1.06814824E+02-8.51768115E-01 7.31300967E-02 7.11786112E-05 3 +-1.43321229E-07 5.92545799E-11 1.32498267E+04 3.78437846E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) +C12H16(18724) C 12H 16 G 100.000 5000.000 994.19 1 + 2.58641648E+01 4.86583387E-02-1.82500544E-05 3.38992408E-09-2.43260380E-13 2 + 1.05229069E+04-1.05761894E+02-1.80514980E+00 1.02500634E-01-1.27586425E-05 3 +-5.84483996E-08 2.99306817E-11 1.88653955E+04 4.18522470E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds- +! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) +C12H16(18725) C 12H 16 G 100.000 5000.000 1065.20 1 + 2.14584708E+01 5.64251710E-02-2.26412480E-05 4.20340675E-09-2.94843321E-13 2 + 1.43524559E+04-8.23038040E+01-1.68546041E+00 1.05780150E-01-3.92583659E-05 3 +-1.84948383E-08 1.28005365E-11 2.14135685E+04 4.08147701E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- +! Cds(Cds-Cds)Cs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- +! CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) +C12H16(18726) C 12H 16 G 100.000 5000.000 987.70 1 + 2.55244095E+01 4.88985567E-02-1.80838750E-05 3.35072229E-09-2.40917219E-13 2 + 1.10826320E+04-1.05482559E+02-1.64585932E+00 9.79816089E-02-5.95105135E-08 3 +-7.12942373E-08 3.44670116E-11 1.94229077E+04 4.03124461E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- +! Cds)H) + ring(Cyclopentene) + ring(Cyclopentadiene) +C11H14(18772) C 11H 14 G 100.000 5000.000 967.17 1 + 2.41037012E+01 4.05916189E-02-1.40662385E-05 2.68692088E-09-2.03463760E-13 2 + 9.17656723E+03-1.02541747E+02-7.28085098E-03 5.31239455E-02 1.01715300E-04 3 +-1.70326872E-07 6.86108245E-11 1.79181578E+04 3.40556402E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) +C9H13(20452) C 9H 13 G 100.000 5000.000 975.61 1 + 1.50453950E+01 4.44172801E-02-1.64120137E-05 3.12448791E-09-2.31051489E-13 2 + 1.07468493E+04-6.29402923E+01 1.47644945E+00 2.62858363E-02 1.24876973E-04 3 +-1.70920810E-07 6.42267959E-11 1.69049497E+04 2.01782574E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) +! + group(Cds-CdsHH) + radical(Allyl_T) +C10H14L(20637) C 10H 14 G 100.000 5000.000 1532.83 1 + 5.49223871E+01 1.17159067E-01-4.61994520E-05 8.20671745E-09-5.48797917E-13 2 +-1.10969149E+04-2.40232162E+02-1.08510352E+01 2.88798516E-01-2.14163003E-04 3 + 8.12584412E-08-1.24633345E-11 9.06694894E+03 1.05179340E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Allyl_T) +C11H14L(20661) C 11H 14 G 100.000 5000.000 1127.86 1 + 4.88667804E+01 1.30295180E-01-5.27979702E-05 9.74002742E-09-6.76107255E-13 2 +-5.41867857E+03-2.07832706E+02-1.04534754E+01 2.75663320E-01-1.59665821E-04 3 + 2.18000398E-08 7.97932975E-12 1.20973896E+04 1.03822300E+02 4 + +! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds- +! Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentene) + ring(Cyclopentadiene) + radical(cyclopentene-allyl) +C12H15(22038) C 12H 15 G 100.000 5000.000 976.69 1 + 2.51205609E+01 4.67447329E-02-1.71014146E-05 3.27013955E-09-2.43704299E-13 2 + 2.05714948E+04-1.06799180E+02-6.32369841E-01 6.73579780E-02 8.15635523E-05 3 +-1.53031384E-07 6.25336831E-11 2.96493908E+04 3.75562024E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + +! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) +C10H13L(22766) C 10H 13 G 100.000 5000.000 1124.77 1 + 4.72177614E+01 1.26278136E-01-5.14114266E-05 9.51874225E-09-6.62396101E-13 2 +-1.64048464E+04-2.00050598E+02-9.87042324E+00 2.63759419E-01-1.47352757E-04 3 + 1.45789678E-08 9.72749446E-12 5.83181868E+02 1.00508781E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) +C6H7R(24238) C 6H 7 G 100.000 5000.000 1618.41 1 + 4.92319464E+01 9.19050209E-02-3.59849141E-05 6.33977125E-09-4.20305990E-13 2 +-2.25749089E+04-2.23107439E+02-8.32666906E+00 2.34165275E-01-1.67837330E-04 3 + 6.06535579E-08-8.81033265E-12-3.94429851E+03 8.22906301E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- +! Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + longDistanceInteraction_noncyclic(CdCs-ST) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- +! Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C9H12R2(24302) C 9H 12 G 100.000 5000.000 1451.65 1 + 7.78877883E+01 1.99789891E-01-8.22533062E-05 1.49915360E-08-1.02026044E-12 2 +-4.63686083E+04-3.39754559E+02-1.90286409E+01 4.66841837E-01-3.58200101E-04 3 + 1.41719496E-07-2.28450871E-11-1.82308788E+04 1.63931964E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) +! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) +C9H13R(24328) C 9H 13 G 100.000 5000.000 1411.65 1 + 4.16922572E+01 1.32939943E-01-5.62363472E-05 1.03859389E-08-7.12366357E-13 2 +-1.68614102E+04-1.65814611E+02-9.13159504E+00 2.76952612E-01-2.09262299E-04 3 + 8.26540926E-08-1.35108966E-11-2.51231731E+03 9.69030704E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + group(Cs- +! CsCsCsH) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + ring(Cyclopentene) +C12H15R(24501) C 12H 15 G 100.000 5000.000 1042.72 1 + 5.34606703E+01 1.30539367E-01-5.28281390E-05 9.96820661E-09-7.10137913E-13 2 +-1.94491238E+04-2.38368595E+02-1.03887801E+01 2.61886030E-01-7.83750506E-05 3 +-7.81696681E-08 4.54694451E-11 4.12699672E+01 1.01949057E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentene) + ring(Cyclopentadiene) +C12H15R(24502) C 12H 15 G 100.000 5000.000 1052.56 1 + 5.14869298E+01 1.32458764E-01-5.32891925E-05 9.96474279E-09-7.04158252E-13 2 +-1.92301561E+04-2.25775590E+02-1.04243045E+01 2.66625570E-01-1.00396436E-04 3 +-5.14635454E-08 3.55628247E-11-5.96063722E+02 1.02688401E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + polycyclic(s1_4_5_ene_1) + radical(cyclopentene-allyl) +C9H13(26444) C 9H 13 G 100.000 5000.000 1005.34 1 + 1.45205208E+01 4.77313085E-02-1.91631477E-05 3.67979294E-09-2.67704983E-13 2 + 1.84519619E+04-5.78210822E+01 9.73303731E-01 4.27648407E-02 7.60799804E-05 3 +-1.17723174E-07 4.44058101E-11 2.41507423E+04 2.24039588E+01 4 + +! Thermo library: DFT_QCI_thermo +CC(C)C(29484) C 4H 10 G 100.000 5000.000 987.07 1 + 8.84796655E+00 2.61185538E-02-9.57943992E-06 1.72898565E-09-1.21009648E-13 2 +-2.06283022E+04-2.38567537E+01 2.18597861E+00 3.04308348E-02 1.83404174E-05 3 +-4.04112424E-08 1.64491188E-11-1.82080424E+04 1.37946297E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! Estimated bicyclic component: polycyclic(s3_5_6_ane) - ring(Cyclohexane) - ring(Cyclopentane) + ring(Cyclohexene) + ring(Cyclopentene) + +! radical(cyclopentene-4) +C8H10L(30673) C 8H 10 G 100.000 5000.000 1125.10 1 + 3.94995560E+01 1.19666496E-01-4.89072012E-05 9.06933072E-09-6.31310098E-13 2 +-3.43448217E+03-1.65714493E+02-7.95308927E+00 2.25940198E-01-1.07357781E-04 3 +-5.61652495E-09 1.35909933E-11 1.11947747E+04 8.63709272E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! polycyclic(s3_5_6_ene_5) + radical(Allyl_T) +C8H10L(30674) C 8H 10 G 100.000 5000.000 1058.71 1 + 3.89684089E+01 1.22420645E-01-4.98837484E-05 9.35957622E-09-6.61267737E-13 2 +-8.04753996E+03-1.69110529E+02-7.38422832E+00 2.06856934E-01-4.10196979E-05 3 +-7.71351247E-08 3.88698273E-11 6.84996030E+03 8.11628566E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_5_5_ene_1) + radical(Tertalkyl) +C10H15(32869) C 10H 15 G 100.000 5000.000 1059.42 1 + 1.40167902E+01 5.88103687E-02-2.49768066E-05 4.79494017E-09-3.43025837E-13 2 + 1.17374774E+04-5.16820777E+01 2.96264424E-01 6.06398329E-02 4.31904811E-05 3 +-8.26272020E-08 3.07939379E-11 1.74491188E+04 2.85394543E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) +C10H15(32871) C 10H 15 G 100.000 5000.000 982.24 1 + 1.88670560E+01 4.91735858E-02-1.86608631E-05 3.59499781E-09-2.66828995E-13 2 + 5.07738465E+03-8.43932536E+01 6.33311152E-01 4.11596222E-02 1.19211328E-04 3 +-1.75252809E-07 6.69569806E-11 1.26279064E+04 2.34488474E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +! + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) +C10H14R(33566) C 10H 14 G 100.000 5000.000 1056.43 1 + 4.50784083E+01 1.32984964E-01-5.43075562E-05 1.02209750E-08-7.24098821E-13 2 +-1.84920470E+04-2.02426137E+02-8.91611438E+00 2.34637764E-01-5.26957452E-05 3 +-8.28958202E-08 4.31064996E-11-1.34788715E+03 8.81776152E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! polycyclic(s3_5_6_ene_5) + radical(Allyl_T) +C9H12R(34500) C 9H 12 G 100.000 5000.000 1056.94 1 + 4.11780874E+01 1.28356687E-01-5.21302175E-05 9.76696138E-09-6.89665106E-13 2 +-1.27876366E+04-1.80526734E+02-8.06975435E+00 2.19737199E-01-4.69956979E-05 3 +-7.85101762E-08 4.03050139E-11 2.92900942E+03 8.48947908E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + polycyclic(s2_5_5_ene_1) + +! radical(Tertalkyl) +C11H15(35243) C 11H 15 G 100.000 5000.000 1052.75 1 + 1.44137484E+01 6.07268850E-02-2.52416560E-05 4.79259399E-09-3.40928773E-13 2 + 2.47132978E+04-4.97583684E+01 4.10989626E-02 6.62676391E-02 3.67795194E-05 3 +-7.87582313E-08 3.00143532E-11 3.04585782E+04 3.32345718E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + polycyclic(s3_5_6_ene_5) +! + radical(Allyl_T) +C11H15(35245) C 11H 15 G 100.000 5000.000 977.63 1 + 1.93258694E+01 5.09936874E-02-1.88736444E-05 3.58095218E-09-2.63798485E-13 2 + 1.80242975E+04-8.28233145E+01 3.85944150E-01 4.66784751E-02 1.13266705E-04 3 +-1.72121949E-07 6.65548650E-11 2.56370438E+04 2.81170649E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsHH) +C4H7L(36302) C 4H 7 G 100.000 5000.000 1595.43 1 + 4.02358500E+01 9.76264172E-02-3.96754688E-05 7.12836100E-09-4.78392997E-13 2 +-3.13133246E+04-1.69077871E+02-6.82156892E+00 2.15604773E-01-1.50594954E-04 3 + 5.34763429E-08-7.74087522E-12-1.62976844E+04 7.99303982E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + +! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- +! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + +! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) +C7H11L2(36342) C 7H 11 G 100.000 5000.000 1396.30 1 + 5.92438387E+01 2.19654288E-01-9.42932172E-05 1.75336995E-08-1.20725710E-12 2 +-3.67317819E+04-2.36087130E+02-1.62884779E+01 4.36032317E-01-3.26740666E-04 3 + 1.28516043E-07-2.10780073E-11-1.56385836E+04 1.53527434E+02 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + +! group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! Estimated bicyclic component: polycyclic(s3_5_6_ane) - ring(Cyclohexane) - ring(Cyclopentane) + ring(Cyclohexene) + ring(Cyclopentene) + +! radical(cyclopentene-4) +C9H12R(38722) C 9H 12 G 100.000 5000.000 1117.87 1 + 4.16282225E+01 1.25728778E-01-5.12218916E-05 9.49206052E-09-6.60933093E-13 2 +-8.13653128E+03-1.76666981E+02-8.63723430E+00 2.38814545E-01-1.13361703E-04 3 +-6.88657509E-09 1.49527184E-11 7.27374890E+03 9.00972160E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + +! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + +! polycyclic(s3_5_6_ene_5) + radical(Allyl_T) +C9H12R(38723) C 9H 12 G 100.000 5000.000 1056.94 1 + 4.11780874E+01 1.28356687E-01-5.21302175E-05 9.76696138E-09-6.89665106E-13 2 +-1.27876366E+04-1.80526734E+02-8.06975435E+00 2.19737199E-01-4.69956979E-05 3 +-7.85101762E-08 4.03050139E-11 2.92900942E+03 8.48947908E+01 4 + +! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + +! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s3_5_6_ane) - +! ring(Cyclohexane) - ring(Cyclopentane) + ring(Cyclohexene) + ring(Cyclopentene) + radical(cyclopentene-4) +C9H13(38809) C 9H 13 G 100.000 5000.000 993.35 1 + 1.38864816E+01 4.43859201E-02-1.69449497E-05 3.18051734E-09-2.29181922E-13 2 + 1.61216173E+04-4.99309158E+01 1.03151087E+00 4.40857005E-02 6.21277556E-05 3 +-1.02651337E-07 3.96851728E-11 2.12442220E+04 2.49306389E+01 4 + +! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + +! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + +! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- +! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- +! CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) +! + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) +C9H12R(39454) C 9H 12 G 100.000 5000.000 1071.03 1 + 4.07146169E+01 1.29458483E-01-5.29168821E-05 9.90931586E-09-6.97879367E-13 2 +-1.15529007E+04-1.76759571E+02-8.14244096E+00 2.22920935E-01-5.91592977E-05 3 +-6.37963591E-08 3.46179106E-11 4.01747795E+03 8.61318686E+01 4 + +END + + + +REACTIONS KCAL/MOLE MOLES + +! Reaction index: Chemkin #1; RMG #1 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), RC10L(1); C[CH]CC(C)CR(5), RC10L(1); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +[CH2]C(C)L(4)+C[CH]CC(C)CR(5)<=>RC10L(1) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #2; RMG #2 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), RC10L(1); C[CH]CC(C)L(7), RC10L(1); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +[CH2]C(C)CR(6)+C[CH]CC(C)L(7)<=>RC10L(1) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #3; RMG #3 +! Library reaction: restart +! Flux pairs: C[CH]L(8), RC10L(1); C7H14R(9), RC10L(1); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]L(8)+C7H14R(9)<=>RC10L(1) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #4; RMG #4 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), RC10L(1); C6H12L(11), RC10L(1); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]CR(10)+C6H12L(11)<=>RC10L(1) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #5; RMG #5 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+[CH2]C(C)L(4)<=>C3H5R(12)+CC(C)L(13) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #6; RMG #6 +! Library reaction: restart +! Flux pairs: [CH2]R(14), RC10L(1); C8H16L(15), RC10L(1); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +[CH2]R(14)+C8H16L(15)<=>RC10L(1) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #7; RMG #7 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C[CH]CC(C)L(7)<=>C3H5R(12)+CCCC(C)L(16) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #8; RMG #8 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)L(16), C[CH]CC(C)L(7); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+CCCC(C)L(16)<=>CC(C)L(13)+C[CH]CC(C)L(7) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #9; RMG #9 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C[CH]CC(C)CR(5)<=>CC(C)L(13)+C6H11R(17) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #10; RMG #10 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C[CH]CC(C)CR(5)<=>CCCC(C)L(16)+C6H11R(17) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #11; RMG #11 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H6(18), C[CH]CC(C)CR(5); C[CH]CR(10), C[CH]CC(C)CR(5); +! From training reaction 239 used for Cds-HH_Cds-Cs\H3/H;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H6(18)+C[CH]CR(10)<=>C[CH]CC(C)CR(5) 1.710000e+03 2.410 3.550 + +! Reaction index: Chemkin #12; RMG #12 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: [CH2]R(14), [CH2]C(C)CR(6); C3H6(18), [CH2]C(C)CR(6); +! From training reaction 2938 used for Cds-CsH_Cds-HH;CsJ-CsHH +! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +[CH2]R(14)+C3H6(18)<=>[CH2]C(C)CR(6) 1.502000e+00 3.105 5.819 + +! Reaction index: Chemkin #13; RMG #13 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C[CH]L(8), C[CH]CC(C)L(7); C3H6(18), C[CH]CC(C)L(7); +! From training reaction 239 used for Cds-HH_Cds-Cs\H3/H;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]L(8)+C3H6(18)<=>C[CH]CC(C)L(7) 1.710000e+03 2.410 3.550 + +! Reaction index: Chemkin #14; RMG #14 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H6(18), C7H14R(9); [CH2]C(C)CR(6), C7H14R(9); +! From training reaction 2938 used for Cds-CsH_Cds-HH;CsJ-CsHH +! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H6(18)+[CH2]C(C)CR(6)<=>C7H14R(9) 1.502000e+00 3.105 5.819 + +! Reaction index: Chemkin #15; RMG #15 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H6(18), C6H12L(11); [CH2]C(C)L(4), C6H12L(11); +! From training reaction 2938 used for Cds-CsH_Cds-HH;CsJ-CsHH +! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H6(18)+[CH2]C(C)L(4)<=>C6H12L(11) 1.502000e+00 3.105 5.819 + +! Reaction index: Chemkin #16; RMG #16 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H6(18), C8H16L(15); C[CH]CC(C)L(7), C8H16L(15); +! From training reaction 239 used for Cds-HH_Cds-Cs\H3/H;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H6(18)+C[CH]CC(C)L(7)<=>C8H16L(15) 1.710000e+03 2.410 3.550 + +! Reaction index: Chemkin #17; RMG #17 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+[CH2]C(C)L(4)<=>C2H3L(19)+CC(C)L(13) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #18; RMG #18 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C[CH]CC(C)L(7)<=>C2H3L(19)+CCCC(C)L(16) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #19; RMG #19 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C[CH]CC(C)CR(5)<=>CC(C)CR(20)+C6H11R(17) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #20; RMG #20 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+[CH2]C(C)CR(6)<=>C2H3L(19)+CC(C)CR(20) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #21; RMG #21 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+[CH2]C(C)CR(6)<=>C3H5R(12)+CC(C)CR(20) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #22; RMG #22 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CR(20), [CH2]C(C)CR(6); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]C(C)L(4)+CC(C)CR(20)<=>CC(C)L(13)+[CH2]C(C)CR(6) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #23; RMG #23 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)L(16), C[CH]CC(C)L(7); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+CCCC(C)L(16)<=>CC(C)CR(20)+C[CH]CC(C)L(7) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #24; RMG #24 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C8H16L(15)<=>CC(C)CR(20)+C8H15L(21) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #25; RMG #25 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C8H16L(15)<=>CC(C)L(13)+C8H15L(21) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #26; RMG #26 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C8H16L(15)<=>CCCC(C)L(16)+C8H15L(21) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #27; RMG #27 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(12); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C[CH]CR(10)<=>CR(22)+C3H5R(12) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #28; RMG #28 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C[CH]CC(C)CR(5)<=>CR(22)+C6H11R(17) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #29; RMG #29 +! Library reaction: restart +! Flux pairs: C[CH]L(8), C2H3L(19); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C[CH]L(8)<=>CR(22)+C2H3L(19) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #30; RMG #30 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)L(13), [CH2]C(C)L(4); [CH2]R(14), CR(22); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]R(14)+CC(C)L(13)<=>CR(22)+[CH2]C(C)L(4) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #31; RMG #31 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C8H16L(15)<=>CR(22)+C8H15L(21) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #32; RMG #32 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)L(16), C[CH]CC(C)L(7); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+CCCC(C)L(16)<=>CR(22)+C[CH]CC(C)L(7) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #33; RMG #33 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CR(20), [CH2]C(C)CR(6); [CH2]R(14), CR(22); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]R(14)+CC(C)CR(20)<=>CR(22)+[CH2]C(C)CR(6) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #34; RMG #34 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C7H14R(9)<=>C6H11R(17)+CC(C)CC(C)CR(23) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #35; RMG #35 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C7H14R(9)<=>C2H3L(19)+CC(C)CC(C)CR(23) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #36; RMG #36 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C7H14R(9)<=>C3H5R(12)+CC(C)CC(C)CR(23) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #37; RMG #37 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)CR(23), C7H14R(9); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]C(C)L(4)+CC(C)CC(C)CR(23)<=>CC(C)L(13)+C7H14R(9) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #38; RMG #38 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H14R(9)+C8H16L(15)<=>CC(C)CC(C)CR(23)+C8H15L(21) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #39; RMG #39 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); CCCC(C)L(16), C[CH]CC(C)L(7); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)L(16)+C7H14R(9)<=>C[CH]CC(C)L(7)+CC(C)CC(C)CR(23) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #40; RMG #40 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)CR(23), C7H14R(9); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+CC(C)CC(C)CR(23)<=>CC(C)CR(20)+C7H14R(9) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #41; RMG #41 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)CR(23), C7H14R(9); [CH2]R(14), CR(22); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]R(14)+CC(C)CC(C)CR(23)<=>CR(22)+C7H14R(9) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #42; RMG #42 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C[CH]CC(C)L(7)<=>CC(C)CR(20)+C5H9L(24) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #43; RMG #43 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C[CH]CC(C)L(7)<=>CC(C)L(13)+C5H9L(24) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #44; RMG #44 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C[CH]CC(C)L(7)<=>C5H9L(24)+CCCC(C)L(16) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #45; RMG #45 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C7H14R(9)<=>C5H9L(24)+CC(C)CC(C)CR(23) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #46; RMG #46 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C[CH]CC(C)L(7)<=>CR(22)+C5H9L(24) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #47; RMG #47 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H12L(11)<=>C3H5R(12)+CC(C)CC(C)L(25) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #48; RMG #48 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C6H12L(11)<=>C6H11R(17)+CC(C)CC(C)L(25) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #49; RMG #49 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H12L(11)<=>C5H9L(24)+CC(C)CC(C)L(25) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #50; RMG #50 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H12L(11)<=>C2H3L(19)+CC(C)CC(C)L(25) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #51; RMG #51 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)L(25), C6H12L(11); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]C(C)L(4)+CC(C)CC(C)L(25)<=>CC(C)L(13)+C6H12L(11) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #52; RMG #52 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H12L(11)+C8H16L(15)<=>CC(C)CC(C)L(25)+C8H15L(21) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #53; RMG #53 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); CCCC(C)L(16), C[CH]CC(C)L(7); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)L(16)+C6H12L(11)<=>C[CH]CC(C)L(7)+CC(C)CC(C)L(25) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #54; RMG #54 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)L(25), C6H12L(11); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+CC(C)CC(C)L(25)<=>CC(C)CR(20)+C6H12L(11) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #55; RMG #55 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)L(25), C6H12L(11); [CH2]R(14), CR(22); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]R(14)+CC(C)CC(C)L(25)<=>CR(22)+C6H12L(11) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #56; RMG #56 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)CR(23), C7H14R(9); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H12L(11)+CC(C)CC(C)CR(23)<=>CC(C)CC(C)L(25)+C7H14R(9) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #57; RMG #57 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C[CH]CC(C)CR(5)<=>CCL(26)+C6H11R(17) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #58; RMG #58 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C[CH]CC(C)L(7)<=>CCL(26)+C5H9L(24) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #59; RMG #59 +! Library reaction: restart +! Flux pairs: C[CH]L(8), CCL(26); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C[CH]L(8)<=>C2H3L(19)+CCL(26) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #60; RMG #60 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(12); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C[CH]CR(10)<=>CCL(26)+C3H5R(12) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #61; RMG #61 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); CCL(26), C[CH]L(8); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCL(26)+[CH2]C(C)L(4)<=>C[CH]L(8)+CC(C)L(13) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #62; RMG #62 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C8H16L(15)<=>CCL(26)+C8H15L(21) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #63; RMG #63 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); CCL(26), C[CH]L(8); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCL(26)+C[CH]CC(C)L(7)<=>C[CH]L(8)+CCCC(C)L(16) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #64; RMG #64 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); CCL(26), C[CH]L(8); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCL(26)+[CH2]C(C)CR(6)<=>C[CH]L(8)+CC(C)CR(20) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #65; RMG #65 +! Template reaction: H_Abstraction +! Flux pairs: CCL(26), C[CH]L(8); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+CCL(26)<=>CR(22)+C[CH]L(8) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #66; RMG #66 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); CCL(26), C[CH]L(8); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCL(26)+C7H14R(9)<=>C[CH]L(8)+CC(C)CC(C)CR(23) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #67; RMG #67 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); CCL(26), C[CH]L(8); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCL(26)+C6H12L(11)<=>C[CH]L(8)+CC(C)CC(C)L(25) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #68; RMG #68 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), CCCR(27); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C[CH]CR(10)<=>C3H5R(12)+CCCR(27) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #69; RMG #69 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C[CH]CC(C)CR(5)<=>CCCR(27)+C6H11R(17) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #70; RMG #70 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C[CH]CC(C)L(7)<=>CCCR(27)+C5H9L(24) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #71; RMG #71 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), CCCR(27); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C[CH]CR(10)<=>C2H3L(19)+CCCR(27) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #72; RMG #72 +! Template reaction: H_Abstraction +! Flux pairs: CCCR(27), CC(C)L(13); [CH2]C(C)L(4), C[CH]CR(10); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+CCCR(27)<=>C[CH]CR(10)+CC(C)L(13) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #73; RMG #73 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C8H16L(15)<=>CCCR(27)+C8H15L(21) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #74; RMG #74 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); CCCR(27), C[CH]CR(10); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCR(27)+C[CH]CC(C)L(7)<=>C[CH]CR(10)+CCCC(C)L(16) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #75; RMG #75 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); CCCR(27), C[CH]CR(10); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCR(27)+[CH2]C(C)CR(6)<=>C[CH]CR(10)+CC(C)CR(20) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #76; RMG #76 +! Template reaction: H_Abstraction +! Flux pairs: CCCR(27), C[CH]CR(10); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+CCCR(27)<=>CR(22)+C[CH]CR(10) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #77; RMG #77 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); CCCR(27), C[CH]CR(10); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCR(27)+C7H14R(9)<=>C[CH]CR(10)+CC(C)CC(C)CR(23) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #78; RMG #78 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); CCCR(27), C[CH]CR(10); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCR(27)+C6H12L(11)<=>C[CH]CR(10)+CC(C)CC(C)L(25) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #79; RMG #79 +! Template reaction: H_Abstraction +! Flux pairs: CCCR(27), C[CH]CR(10); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+CCCR(27)<=>CCL(26)+C[CH]CR(10) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #80; RMG #80 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), C7H14LR(28); [CH2]C(C)CR(6), C7H14LR(28); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R +[CH2]C(C)L(4)+[CH2]C(C)CR(6)<=>C7H14LR(28) 3.187950e+16 -1.177 0.000 + +! Reaction index: Chemkin #81; RMG #81 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), C10H20LR(29); C7H14R(9), C10H20LR(29); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R +[CH2]C(C)L(4)+C7H14R(9)<=>C10H20LR(29) 3.187950e+16 -1.177 0.000 + +! Reaction index: Chemkin #82; RMG #82 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), C9H18L2(30); C6H12L(11), C9H18L2(30); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R +[CH2]C(C)L(4)+C6H12L(11)<=>C9H18L2(30) 3.187950e+16 -1.177 0.000 + +! Reaction index: Chemkin #83; RMG #83 +! Library reaction: restart +! Flux pairs: [CH2]R(14), CC(L)CCR(31); [CH2]C(C)L(4), CC(L)CCR(31); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R +[CH2]R(14)+[CH2]C(C)L(4)<=>CC(L)CCR(31) 3.187950e+16 -1.177 0.000 + +! Reaction index: Chemkin #84; RMG #84 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C[CH]CC(C)CR(5)<=>C6H11R(17)+CCCC(C)CR(32) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #85; RMG #85 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C[CH]CC(C)CR(5)<=>C5H9L(24)+CCCC(C)CR(32) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #86; RMG #86 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C[CH]CC(C)CR(5)<=>C2H3L(19)+CCCC(C)CR(32) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #87; RMG #87 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C[CH]CC(C)CR(5)<=>C3H5R(12)+CCCC(C)CR(32) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #88; RMG #88 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+CCCC(C)CR(32)<=>CC(C)L(13)+C[CH]CC(C)CR(5) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #89; RMG #89 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C8H16L(15)<=>CCCC(C)CR(32)+C8H15L(21) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #90; RMG #90 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+CCCC(C)CR(32)<=>CCCC(C)L(16)+C[CH]CC(C)CR(5) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #91; RMG #91 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+CCCC(C)CR(32)<=>CC(C)CR(20)+C[CH]CC(C)CR(5) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #92; RMG #92 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+CCCC(C)CR(32)<=>CR(22)+C[CH]CC(C)CR(5) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #93; RMG #93 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)CR(32), CC(C)CC(C)L(25); C6H12L(11), C[CH]CC(C)CR(5); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H12L(11)+CCCC(C)CR(32)<=>C[CH]CC(C)CR(5)+CC(C)CC(C)L(25) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #94; RMG #94 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); CCCC(C)CR(32), C[CH]CC(C)CR(5); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)CR(32)+C7H14R(9)<=>C[CH]CC(C)CR(5)+CC(C)CC(C)CR(23) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #95; RMG #95 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+CCCC(C)CR(32)<=>CCL(26)+C[CH]CC(C)CR(5) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #96; RMG #96 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+CCCC(C)CR(32)<=>CCCR(27)+C[CH]CC(C)CR(5) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #97; RMG #97 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), C8H16L2(33); C[CH]CC(C)L(7), C8H16L2(33); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +[CH2]C(C)L(4)+C[CH]CC(C)L(7)<=>C8H16L2(33) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #98; RMG #98 +! Library reaction: restart +! Flux pairs: C[CH]L(8), C8H16L2(33); C6H12L(11), C8H16L2(33); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]L(8)+C6H12L(11)<=>C8H16L2(33) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #99; RMG #99 +! Library reaction: restart +! Flux pairs: [CH2]R(14), CC(CR)CCR(34); [CH2]C(C)CR(6), CC(CR)CCR(34); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R +[CH2]R(14)+[CH2]C(C)CR(6)<=>CC(CR)CCR(34) 3.187950e+16 -1.177 0.000 + +! Reaction index: Chemkin #100; RMG #100 +! Library reaction: restart +! Flux pairs: C[CH]L(8), CC(L)CC(C)L(35); [CH2]C(C)L(4), CC(L)CC(C)L(35); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]L(8)+[CH2]C(C)L(4)<=>CC(L)CC(C)L(35) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #101; RMG #101 +! Library reaction: restart +! Flux pairs: [CH2]R(14), C8H16R2(36); C7H14R(9), C8H16R2(36); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R +[CH2]R(14)+C7H14R(9)<=>C8H16R2(36) 3.187950e+16 -1.177 0.000 + +! Reaction index: Chemkin #102; RMG #102 +! Library reaction: restart +! Flux pairs: C[CH]L(8), CC(L)CC(C)CR(37); [CH2]C(C)CR(6), CC(L)CC(C)CR(37); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]L(8)+[CH2]C(C)CR(6)<=>CC(L)CC(C)CR(37) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #103; RMG #103 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), CC(L)CC(C)CR(37); [CH2]C(C)L(4), CC(L)CC(C)CR(37); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]CR(10)+[CH2]C(C)L(4)<=>CC(L)CC(C)CR(37) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #104; RMG #104 +! Library reaction: restart +! Flux pairs: [CH2]R(14), CC(L)CC(C)CR(37); C[CH]CC(C)L(7), CC(L)CC(C)CR(37); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +[CH2]R(14)+C[CH]CC(C)L(7)<=>CC(L)CC(C)CR(37) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #105; RMG #105 +! Library reaction: restart +! Flux pairs: [CH2]R(14), C7H14LR(38); C6H12L(11), C7H14LR(38); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R +[CH2]R(14)+C6H12L(11)<=>C7H14LR(38) 3.187950e+16 -1.177 0.000 + +! Reaction index: Chemkin #106; RMG #106 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C9H18R2(39); C[CH]CC(C)CR(5), C9H18R2(39); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]CR(10)+C[CH]CC(C)CR(5)<=>C9H18R2(39) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #107; RMG #107 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C7H14R2(40); [CH2]C(C)CR(6), C7H14R2(40); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]CR(10)+[CH2]C(C)CR(6)<=>C7H14R2(40) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #108; RMG #108 +! Library reaction: restart +! Flux pairs: [CH2]R(14), C7H14R2(40); C[CH]CC(C)CR(5), C7H14R2(40); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +[CH2]R(14)+C[CH]CC(C)CR(5)<=>C7H14R2(40) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #109; RMG #109 +! Library reaction: restart +! Flux pairs: [CH2]R(14), CC(L)CR(41); C[CH]L(8), CC(L)CR(41); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +[CH2]R(14)+C[CH]L(8)<=>CC(L)CR(41) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #110; RMG #110 +! Library reaction: restart +! Flux pairs: [CH2]R(14), CC(CR)CR(42); C[CH]CR(10), CC(CR)CR(42); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +[CH2]R(14)+C[CH]CR(10)<=>CC(CR)CR(42) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #111; RMG #111 +! Library reaction: restart +! Flux pairs: C[CH]L(8), C8H16LR(43); C[CH]CC(C)CR(5), C8H16LR(43); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]L(8)+C[CH]CC(C)CR(5)<=>C8H16LR(43) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #112; RMG #112 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C8H16LR(44); C[CH]CC(C)L(7), C8H16LR(44); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]CR(10)+C[CH]CC(C)L(7)<=>C8H16LR(44) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #113; RMG #113 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), CC(L)CCC(C)L(45); [CH2]C(C)L(4), CC(L)CCC(C)L(45); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R +[CH2]C(C)L(4)+[CH2]C(C)L(4)<=>CC(L)CCC(C)L(45) 1.593980e+16 -1.177 0.000 + +! Reaction index: Chemkin #114; RMG #114 +! Library reaction: restart +! Flux pairs: C[CH]L(8), C7H14L2(46); C[CH]CC(C)L(7), C7H14L2(46); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]L(8)+C[CH]CC(C)L(7)<=>C7H14L2(46) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #115; RMG #115 +! Library reaction: restart +! Flux pairs: C[CH]L(8), CC(L)C(C)CR(47); C[CH]CR(10), CC(L)C(C)CR(47); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]L(8)+C[CH]CR(10)<=>CC(L)C(C)CR(47) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #116; RMG #116 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C10H20R2(48); C[CH]CC(C)CR(5), C10H20R2(48); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +[CH2]C(C)CR(6)+C[CH]CC(C)CR(5)<=>C10H20R2(48) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #117; RMG #117 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C10H20R2(48); C7H14R(9), C10H20R2(48); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]CR(10)+C7H14R(9)<=>C10H20R2(48) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #118; RMG #118 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C8H16L(15)<=>C3H5R(12)+C8H17L(49) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #119; RMG #119 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C8H16L(15)<=>C6H11R(17)+C8H17L(49) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #120; RMG #120 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C8H16L(15)<=>C5H9L(24)+C8H17L(49) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #121; RMG #121 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C8H16L(15)<=>C2H3L(19)+C8H17L(49) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #122; RMG #122 +! Template reaction: H_Abstraction +! Flux pairs: C8H17L(49), C8H16L(15); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C8H17L(49)<=>CC(C)L(13)+C8H16L(15) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #123; RMG #123 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C8H16L(15)<=>C8H15L(21)+C8H17L(49) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #124; RMG #124 +! Template reaction: H_Abstraction +! Flux pairs: C8H17L(49), C8H16L(15); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C8H17L(49)<=>CCCC(C)L(16)+C8H16L(15) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #125; RMG #125 +! Template reaction: H_Abstraction +! Flux pairs: C8H17L(49), C8H16L(15); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C8H17L(49)<=>CR(22)+C8H16L(15) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #126; RMG #126 +! Template reaction: H_Abstraction +! Flux pairs: C8H17L(49), C8H16L(15); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C8H17L(49)<=>CC(C)CR(20)+C8H16L(15) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #127; RMG #127 +! Template reaction: H_Abstraction +! Flux pairs: C8H17L(49), C8H16L(15); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H12L(11)+C8H17L(49)<=>CC(C)CC(C)L(25)+C8H16L(15) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #128; RMG #128 +! Template reaction: H_Abstraction +! Flux pairs: C8H17L(49), C8H16L(15); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C8H17L(49)<=>CCL(26)+C8H16L(15) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #129; RMG #129 +! Template reaction: H_Abstraction +! Flux pairs: C8H17L(49), C8H16L(15); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C8H17L(49)<=>CCCR(27)+C8H16L(15) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #130; RMG #130 +! Template reaction: H_Abstraction +! Flux pairs: C8H17L(49), C8H16L(15); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)CR(5)+C8H17L(49)<=>CCCC(C)CR(32)+C8H16L(15) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #131; RMG #131 +! Template reaction: H_Abstraction +! Flux pairs: C8H17L(49), C8H16L(15); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H14R(9)+C8H17L(49)<=>CC(C)CC(C)CR(23)+C8H16L(15) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #132; RMG #132 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C11H22L2(50); C6H12L(11), C11H22L2(50); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]CC(C)L(7)+C6H12L(11)<=>C11H22L2(50) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #133; RMG #133 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), C11H22L2(50); C8H16L(15), C11H22L2(50); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +[CH2]C(C)L(4)+C8H16L(15)<=>C11H22L2(50) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #134; RMG #134 +! Library reaction: restart +! Flux pairs: C[CH]L(8), CC(L)C(C)L(51); C[CH]L(8), CC(L)C(C)L(51); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]L(8)+C[CH]L(8)<=>CC(L)C(C)L(51) 1.740640e+13 -0.158 0.000 + +! Reaction index: Chemkin #135; RMG #135 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), CC(CR)C(C)CR(52); C[CH]CR(10), CC(CR)C(C)CR(52); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]CR(10)+C[CH]CR(10)<=>CC(CR)C(C)CR(52) 1.740640e+13 -0.158 0.000 + +! Reaction index: Chemkin #136; RMG #136 +! Library reaction: restart +! Flux pairs: C[CH]L(8), C10H20L2(53); C8H16L(15), C10H20L2(53); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]L(8)+C8H16L(15)<=>C10H20L2(53) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #137; RMG #137 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C11H22LR(54); C8H16L(15), C11H22LR(54); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]CR(10)+C8H16L(15)<=>C11H22LR(54) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #138; RMG #138 +! Library reaction: restart +! Flux pairs: [CH2]R(14), RCCR(55); [CH2]R(14), RCCR(55); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R +[CH2]R(14)+[CH2]R(14)<=>RCCR(55) 1.593980e+16 -1.177 0.000 + +! Reaction index: Chemkin #139; RMG #139 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C[CH]CC(C)CR(5)<=>C6H11R(56)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #140; RMG #140 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C[CH]CC(C)CR(5)<=>CC(C)L(13)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #141; RMG #141 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C[CH]CC(C)CR(5)<=>CC(C)CR(20)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #142; RMG #142 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C[CH]CC(C)CR(5)<=>CCCC(C)L(16)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #143; RMG #143 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C7H14R(9)<=>C6H11R(56)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #144; RMG #144 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C[CH]CC(C)CR(5)<=>CCL(26)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #145; RMG #145 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C[CH]CC(C)CR(5)<=>CCCR(27)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #146; RMG #146 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C6H12L(11)<=>C6H11R(56)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #147; RMG #147 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C[CH]CC(C)CR(5)<=>CR(22)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #148; RMG #148 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C8H16L(15)<=>C6H11R(56)+C8H17L(49) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #149; RMG #149 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C[CH]CC(C)L(7)<=>CC(C)CR(20)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #150; RMG #150 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C[CH]CC(C)CR(5)<=>C5H9L(57)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #151; RMG #151 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C[CH]CC(C)L(7)<=>CC(C)L(13)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #152; RMG #152 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C[CH]CC(C)L(7)<=>C5H9L(57)+CCCC(C)L(16) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #153; RMG #153 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C7H14R(9)<=>C5H9L(57)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #154; RMG #154 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C[CH]CC(C)L(7)<=>CCL(26)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #155; RMG #155 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C[CH]CC(C)L(7)<=>CCCR(27)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #156; RMG #156 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H12L(11)<=>C5H9L(57)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #157; RMG #157 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C[CH]CC(C)L(7)<=>CR(22)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #158; RMG #158 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C8H16L(15)<=>C5H9L(57)+C8H17L(49) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #159; RMG #159 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+[CH2]C(C)CR(6)<=>C3H5R(58)+CC(C)CR(20) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #160; RMG #160 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), CCCR(27); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C[CH]CR(10)<=>C3H5R(58)+CCCR(27) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #161; RMG #161 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C[CH]CC(C)CR(5)<=>C3H5R(58)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #162; RMG #162 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+[CH2]C(C)L(4)<=>C3H5R(58)+CC(C)L(13) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #163; RMG #163 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C7H14R(9)<=>C3H5R(58)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #164; RMG #164 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C[CH]CC(C)L(7)<=>C3H5R(58)+CCCC(C)L(16) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #165; RMG #165 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(58); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C[CH]CR(10)<=>CCL(26)+C3H5R(58) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #166; RMG #166 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H12L(11)<=>C3H5R(58)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #167; RMG #167 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(58); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C[CH]CR(10)<=>CR(22)+C3H5R(58) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #168; RMG #168 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C8H16L(15)<=>C3H5R(58)+C8H17L(49) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #169; RMG #169 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C[CH]CC(C)CR(5)<=>C3H5L(59)+CCCC(C)CR(32) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #170; RMG #170 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+[CH2]C(C)L(4)<=>C3H5L(59)+CC(C)L(13) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #171; RMG #171 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+[CH2]C(C)CR(6)<=>C3H5L(59)+CC(C)CR(20) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #172; RMG #172 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C[CH]CC(C)L(7)<=>C3H5L(59)+CCCC(C)L(16) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #173; RMG #173 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C7H14R(9)<=>C3H5L(59)+CC(C)CC(C)CR(23) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #174; RMG #174 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), C3H5L(59); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]L(8)+[CH2]C(C)L(4)<=>CCL(26)+C3H5L(59) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #175; RMG #175 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), CCCR(27); C[CH]CR(10), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]CR(10)+[CH2]C(C)L(4)<=>C3H5L(59)+CCCR(27) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #176; RMG #176 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C6H12L(11)<=>C3H5L(59)+CC(C)CC(C)L(25) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #177; RMG #177 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), C3H5L(59); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]R(14)+[CH2]C(C)L(4)<=>CR(22)+C3H5L(59) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #178; RMG #178 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C8H16L(15)<=>C3H5L(59)+C8H17L(49) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #179; RMG #179 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+[CH2]C(C)CR(6)<=>C4H7R(60)+CC(C)CR(20) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #180; RMG #180 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C[CH]CC(C)CR(5)<=>C4H7R(60)+CCCC(C)CR(32) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #181; RMG #181 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+[CH2]C(C)CR(6)<=>CC(C)L(13)+C4H7R(60) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #182; RMG #182 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C[CH]CC(C)L(7)<=>C4H7R(60)+CCCC(C)L(16) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #183; RMG #183 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+C7H14R(9)<=>C4H7R(60)+CC(C)CC(C)CR(23) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #184; RMG #184 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]L(8)+[CH2]C(C)CR(6)<=>CCL(26)+C4H7R(60) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #185; RMG #185 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]CR(10)+[CH2]C(C)CR(6)<=>CCCR(27)+C4H7R(60) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #186; RMG #186 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+C6H12L(11)<=>C4H7R(60)+CC(C)CC(C)L(25) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #187; RMG #187 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]R(14)+[CH2]C(C)CR(6)<=>CR(22)+C4H7R(60) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #188; RMG #188 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C8H16L(15)<=>C4H7R(60)+C8H17L(49) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #189; RMG #189 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C8H16L(15)<=>CC(C)CR(20)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #190; RMG #190 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C8H16L(15)<=>CCCR(27)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #191; RMG #191 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C8H16L(15)<=>CCCC(C)CR(32)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #192; RMG #192 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C8H16L(15)<=>CC(C)L(13)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #193; RMG #193 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H14R(9)+C8H16L(15)<=>CC(C)CC(C)CR(23)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #194; RMG #194 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C8H16L(15)<=>CCCC(C)L(16)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #195; RMG #195 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C8H16L(15)<=>CCL(26)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #196; RMG #196 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H12L(11)+C8H16L(15)<=>CC(C)CC(C)L(25)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #197; RMG #197 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C8H16L(15)<=>CR(22)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #198; RMG #198 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C8H16L(15)<=>C8H15L(61)+C8H17L(49) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #199; RMG #199 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+C7H14R(9)<=>CC(C)CR(20)+C7H13R(62) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #200; RMG #200 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]CC(C)CR(5)+C7H14R(9)<=>CCCC(C)CR(32)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #201; RMG #201 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C7H14R(9)<=>CC(C)L(13)+C7H13R(62) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #202; RMG #202 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C7H14R(9)+C7H14R(9)<=>C7H13R(62)+CC(C)CC(C)CR(23) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #203; RMG #203 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]CC(C)L(7)+C7H14R(9)<=>CCCC(C)L(16)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #204; RMG #204 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]L(8)+C7H14R(9)<=>CCL(26)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #205; RMG #205 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]CR(10)+C7H14R(9)<=>CCCR(27)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #206; RMG #206 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H12L(11)+C7H14R(9)<=>CC(C)CC(C)L(25)+C7H13R(62) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #207; RMG #207 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]R(14)+C7H14R(9)<=>CR(22)+C7H13R(62) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #208; RMG #208 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C8H16L(15)<=>C7H13R(62)+C8H17L(49) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #209; RMG #209 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+C6H12L(11)<=>CC(C)CR(20)+C6H11L(63) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #210; RMG #210 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]CR(10)+C6H12L(11)<=>CCCR(27)+C6H11L(63) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #211; RMG #211 +! Library reaction: restart +! Flux pairs: C6H12L(11), CCCC(C)CR(32); C[CH]CC(C)CR(5), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]CC(C)CR(5)+C6H12L(11)<=>C6H11L(63)+CCCC(C)CR(32) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #212; RMG #212 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C6H12L(11)<=>CC(C)L(13)+C6H11L(63) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #213; RMG #213 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H12L(11)+C7H14R(9)<=>C6H11L(63)+CC(C)CC(C)CR(23) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #214; RMG #214 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]CC(C)L(7)+C6H12L(11)<=>CCCC(C)L(16)+C6H11L(63) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #215; RMG #215 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]L(8)+C6H12L(11)<=>CCL(26)+C6H11L(63) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #216; RMG #216 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H12L(11)+C6H12L(11)<=>C6H11L(63)+CC(C)CC(C)L(25) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #217; RMG #217 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]R(14)+C6H12L(11)<=>CR(22)+C6H11L(63) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #218; RMG #218 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C8H16L(15)<=>C6H11L(63)+C8H17L(49) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #219; RMG #219 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); CCCC(C)CR(32), C[CH]CC(C)CR(5); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)CR(32)+C10H20R(64)<=>C[CH]CC(C)CR(5)+RC10(2) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #220; RMG #220 +! Template reaction: H_Abstraction +! Flux pairs: RC10(2), C10H20R(64); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+RC10(2)<=>CC(C)L(13)+C10H20R(64) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #221; RMG #221 +! Template reaction: H_Abstraction +! Flux pairs: RC10(2), C10H20R(64); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+RC10(2)<=>CC(C)CR(20)+C10H20R(64) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #222; RMG #222 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); CCCC(C)L(16), C[CH]CC(C)L(7); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)L(16)+C10H20R(64)<=>C[CH]CC(C)L(7)+RC10(2) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #223; RMG #223 +! Template reaction: H_Abstraction +! Flux pairs: RC10(2), C10H20R(64); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H14R(9)+RC10(2)<=>CC(C)CC(C)CR(23)+C10H20R(64) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #224; RMG #224 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); CCL(26), C[CH]L(8); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCL(26)+C10H20R(64)<=>C[CH]L(8)+RC10(2) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #225; RMG #225 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); CCCR(27), C[CH]CR(10); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCR(27)+C10H20R(64)<=>C[CH]CR(10)+RC10(2) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #226; RMG #226 +! Template reaction: H_Abstraction +! Flux pairs: RC10(2), C10H20R(64); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H12L(11)+RC10(2)<=>CC(C)CC(C)L(25)+C10H20R(64) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #227; RMG #227 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C10H20R(64)<=>C3H5R(12)+RC10(2) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #228; RMG #228 +! Template reaction: H_Abstraction +! Flux pairs: RC10(2), C10H20R(64); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+RC10(2)<=>CR(22)+C10H20R(64) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #229; RMG #229 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C8H17L(49), C8H16L(15); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C8H17L(49)+C10H20R(64)<=>C8H16L(15)+RC10(2) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #230; RMG #230 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C10H20R(64)<=>C6H11R(17)+RC10(2) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #231; RMG #231 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C10H20R(64)<=>C2H3L(19)+RC10(2) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #232; RMG #232 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C10H20R(64)<=>C8H15L(21)+RC10(2) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #233; RMG #233 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C10H20R(64)<=>C5H9L(24)+RC10(2) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #234; RMG #234 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C10H20R(64)<=>C6H11R(56)+RC10(2) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #235; RMG #235 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C10H20R(64)<=>C5H9L(57)+RC10(2) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #236; RMG #236 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C10H20R(64)<=>C3H5R(58)+RC10(2) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #237; RMG #237 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C10H20R(64)<=>C3H5L(59)+RC10(2) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #238; RMG #238 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C10H20R(64)<=>C4H7R(60)+RC10(2) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #239; RMG #239 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C10H20R(64)<=>C8H15L(61)+RC10(2) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #240; RMG #240 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C10H20R(64)<=>C7H13R(62)+RC10(2) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #241; RMG #241 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C10H20R(64)<=>C6H11L(63)+RC10(2) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #242; RMG #242 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CC(C)CR(5)+RC10L(1)<=>CCCC(C)CR(32)+C9H17LR(65) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #243; RMG #243 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)L(4)+RC10L(1)<=>CC(C)L(13)+C9H17LR(65) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #244; RMG #244 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)CR(6)+RC10L(1)<=>CC(C)CR(20)+C9H17LR(65) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #245; RMG #245 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CC(C)L(7)+RC10L(1)<=>CCCC(C)L(16)+C9H17LR(65) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #246; RMG #246 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H14R(9)+RC10L(1)<=>CC(C)CC(C)CR(23)+C9H17LR(65) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #247; RMG #247 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]L(8)+RC10L(1)<=>CCL(26)+C9H17LR(65) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #248; RMG #248 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CR(10)+RC10L(1)<=>CCCR(27)+C9H17LR(65) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #249; RMG #249 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H12L(11)+RC10L(1)<=>CC(C)CC(C)L(25)+C9H17LR(65) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #250; RMG #250 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C9H17LR(65)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 4.616 + +! Reaction index: Chemkin #251; RMG #251 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(65) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #252; RMG #252 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C8H16L(15), C8H17L(49); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C8H16L(15)+RC10L(1)<=>C8H17L(49)+C9H17LR(65) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #253; RMG #253 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C9H17LR(65)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 4.474 + +! Reaction index: Chemkin #254; RMG #254 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C9H17LR(65)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 4.616 + +! Reaction index: Chemkin #255; RMG #255 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C9H17LR(65)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 4.474 + +! Reaction index: Chemkin #256; RMG #256 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C9H17LR(65)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 4.474 + +! Reaction index: Chemkin #257; RMG #257 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C9H17LR(65)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #258; RMG #258 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C9H17LR(65)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #259; RMG #259 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C9H17LR(65)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #260; RMG #260 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C9H17LR(65)<=>C3H5L(59)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #261; RMG #261 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C9H17LR(65)<=>C4H7R(60)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #262; RMG #262 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C9H17LR(65)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #263; RMG #263 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C9H17LR(65)<=>C7H13R(62)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #264; RMG #264 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C9H17LR(65)<=>C6H11L(63)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #265; RMG #265 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); RC10L(1), C9H17LR(65); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C10H20R(64)<=>C9H17LR(65)+RC10(2) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #266; RMG #266 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C[CH]L(8), C9H17LR(65); C7H13R(62), C9H17LR(65); +! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]L(8)+C7H13R(62)<=>C9H17LR(65) 5.575000e+02 2.470 3.895 + +! Reaction index: Chemkin #267; RMG #267 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C[CH]CR(10), C9H17LR(65); C6H11L(63), C9H17LR(65); +! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]CR(10)+C6H11L(63)<=>C9H17LR(65) 5.575000e+02 2.470 3.895 + +! Reaction index: Chemkin #268; RMG #268 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); CCCC(C)CR(32), C[CH]CC(C)CR(5); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)CR(32)+C9H17LR(66)<=>C[CH]CC(C)CR(5)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #269; RMG #269 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(66); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+RC10L(1)<=>CC(C)L(13)+C9H17LR(66) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #270; RMG #270 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(66); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+RC10L(1)<=>CC(C)CR(20)+C9H17LR(66) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #271; RMG #271 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); CCCC(C)L(16), C[CH]CC(C)L(7); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)L(16)+C9H17LR(66)<=>C[CH]CC(C)L(7)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #272; RMG #272 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(66); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H14R(9)+RC10L(1)<=>CC(C)CC(C)CR(23)+C9H17LR(66) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #273; RMG #273 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); CCL(26), C[CH]L(8); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCL(26)+C9H17LR(66)<=>C[CH]L(8)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #274; RMG #274 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); CCCR(27), C[CH]CR(10); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCR(27)+C9H17LR(66)<=>C[CH]CR(10)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #275; RMG #275 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(66); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H12L(11)+RC10L(1)<=>CC(C)CC(C)L(25)+C9H17LR(66) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #276; RMG #276 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C9H17LR(66)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #277; RMG #277 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(66); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(66) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #278; RMG #278 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C8H17L(49), C8H16L(15); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C8H17L(49)+C9H17LR(66)<=>C8H16L(15)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #279; RMG #279 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C9H17LR(66)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #280; RMG #280 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C9H17LR(66)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #281; RMG #281 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C9H17LR(66)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #282; RMG #282 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C9H17LR(66)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #283; RMG #283 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C9H17LR(66)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #284; RMG #284 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: [CH2]C(C)L(4), C9H17LR(66); C6H11R(56), C9H17LR(66); +! From training reaction 436 used for Cds-CsH_Cds-CsH;CsJ-CsHH +! Exact match found for rate rule [Cds-CsH_Cds-CsH;CsJ-CsHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +[CH2]C(C)L(4)+C6H11R(56)<=>C9H17LR(66) 1.020000e+03 2.410 6.230 + +! Reaction index: Chemkin #285; RMG #285 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C9H17LR(66)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #286; RMG #286 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C9H17LR(66)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #287; RMG #287 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C9H17LR(66)<=>C3H5L(59)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #288; RMG #288 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C9H17LR(66)<=>C4H7R(60)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #289; RMG #289 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C9H17LR(66)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #290; RMG #290 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C9H17LR(66)<=>C7H13R(62)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #291; RMG #291 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C9H17LR(66)<=>C6H11L(63)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #292; RMG #292 +! Template reaction: H_Abstraction +! Flux pairs: RC10(2), C10H20R(64); C9H17LR(66), RC10L(1); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(66)+RC10(2)<=>RC10L(1)+C10H20R(64) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #293; RMG #293 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(66), C9H17LR(65); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(66)+RC10L(1)<=>C9H17LR(65)+RC10L(1) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #294; RMG #294 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: [CH2]R(14), C9H17LR(66); C8H15L(61), C9H17LR(66); +! From training reaction 436 used for Cds-CsH_Cds-CsH;CsJ-CsHH +! Exact match found for rate rule [Cds-CsH_Cds-CsH;CsJ-CsHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +[CH2]R(14)+C8H15L(61)<=>C9H17LR(66) 1.020000e+03 2.410 6.230 + +! Reaction index: Chemkin #295; RMG #295 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); CCCC(C)CR(32), C[CH]CC(C)CR(5); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)CR(32)+C9H17LR(67)<=>C[CH]CC(C)CR(5)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #296; RMG #296 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(67); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+RC10L(1)<=>CC(C)L(13)+C9H17LR(67) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #297; RMG #297 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(67); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+RC10L(1)<=>CC(C)CR(20)+C9H17LR(67) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #298; RMG #298 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); CCCC(C)L(16), C[CH]CC(C)L(7); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)L(16)+C9H17LR(67)<=>C[CH]CC(C)L(7)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #299; RMG #299 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(67); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H14R(9)+RC10L(1)<=>CC(C)CC(C)CR(23)+C9H17LR(67) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #300; RMG #300 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); CCL(26), C[CH]L(8); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCL(26)+C9H17LR(67)<=>C[CH]L(8)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #301; RMG #301 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); CCCR(27), C[CH]CR(10); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCR(27)+C9H17LR(67)<=>C[CH]CR(10)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #302; RMG #302 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(67); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H12L(11)+RC10L(1)<=>CC(C)CC(C)L(25)+C9H17LR(67) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #303; RMG #303 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C9H17LR(67)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #304; RMG #304 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(67); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(67) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #305; RMG #305 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C8H17L(49), C8H16L(15); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C8H17L(49)+C9H17LR(67)<=>C8H16L(15)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #306; RMG #306 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C9H17LR(67)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #307; RMG #307 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C9H17LR(67)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #308; RMG #308 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C9H17LR(67)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #309; RMG #309 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C9H17LR(67)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #310; RMG #310 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C9H17LR(67)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #311; RMG #311 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C9H17LR(67)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #312; RMG #312 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C9H17LR(67)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #313; RMG #313 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5R(58), C9H17LR(67); C6H12L(11), C9H17LR(67); +! From training reaction 436 used for Cds-CsH_Cds-CsH;CsJ-CsHH +! Exact match found for rate rule [Cds-CsH_Cds-CsH;CsJ-CsHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H5R(58)+C6H12L(11)<=>C9H17LR(67) 1.020000e+03 2.410 6.230 + +! Reaction index: Chemkin #314; RMG #314 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C9H17LR(67)<=>C3H5L(59)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #315; RMG #315 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C9H17LR(67)<=>C4H7R(60)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #316; RMG #316 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C9H17LR(67)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #317; RMG #317 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C9H17LR(67)<=>C7H13R(62)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #318; RMG #318 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C9H17LR(67)<=>C6H11L(63)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #319; RMG #319 +! Template reaction: H_Abstraction +! Flux pairs: RC10(2), C10H20R(64); C9H17LR(67), RC10L(1); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(67)+RC10(2)<=>RC10L(1)+C10H20R(64) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #320; RMG #320 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(67), C9H17LR(65); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(67)+RC10L(1)<=>C9H17LR(65)+RC10L(1) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #321; RMG #321 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(67), C9H17LR(66); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(67)+RC10L(1)<=>C9H17LR(66)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #322; RMG #322 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); CCCC(C)CR(32), C[CH]CC(C)CR(5); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)CR(32)+C9H17LR(68)<=>C[CH]CC(C)CR(5)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #323; RMG #323 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(68); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+RC10L(1)<=>CC(C)L(13)+C9H17LR(68) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #324; RMG #324 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(68); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+RC10L(1)<=>CC(C)CR(20)+C9H17LR(68) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #325; RMG #325 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); CCCC(C)L(16), C[CH]CC(C)L(7); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)L(16)+C9H17LR(68)<=>C[CH]CC(C)L(7)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #326; RMG #326 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(68); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H14R(9)+RC10L(1)<=>CC(C)CC(C)CR(23)+C9H17LR(68) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #327; RMG #327 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); CCL(26), C[CH]L(8); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCL(26)+C9H17LR(68)<=>C[CH]L(8)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #328; RMG #328 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); CCCR(27), C[CH]CR(10); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCR(27)+C9H17LR(68)<=>C[CH]CR(10)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #329; RMG #329 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(68); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H12L(11)+RC10L(1)<=>CC(C)CC(C)L(25)+C9H17LR(68) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #330; RMG #330 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C9H17LR(68)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #331; RMG #331 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(68); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(68) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #332; RMG #332 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C8H17L(49), C8H16L(15); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C8H17L(49)+C9H17LR(68)<=>C8H16L(15)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #333; RMG #333 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C9H17LR(68)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #334; RMG #334 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C9H17LR(68)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #335; RMG #335 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C9H17LR(68)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #336; RMG #336 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C9H17LR(68)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #337; RMG #337 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C9H17LR(68)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #338; RMG #338 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C9H17LR(68)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #339; RMG #339 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C9H17LR(68)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #340; RMG #340 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C9H17LR(68)<=>C3H5L(59)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #341; RMG #341 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C9H17LR(68)<=>C4H7R(60)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #342; RMG #342 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C9H17LR(68)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #343; RMG #343 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C9H17LR(68)<=>C7H13R(62)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #344; RMG #344 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C9H17LR(68)<=>C6H11L(63)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #345; RMG #345 +! Template reaction: H_Abstraction +! Flux pairs: RC10(2), C10H20R(64); C9H17LR(68), RC10L(1); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(68)+RC10(2)<=>RC10L(1)+C10H20R(64) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #346; RMG #346 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(68), C9H17LR(65); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(68)+RC10L(1)<=>C9H17LR(65)+RC10L(1) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #347; RMG #347 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: [CH2]C(C)CR(6), C9H17LR(68); C5H9L(57), C9H17LR(68); +! From training reaction 436 used for Cds-CsH_Cds-CsH;CsJ-CsHH +! Exact match found for rate rule [Cds-CsH_Cds-CsH;CsJ-CsHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +[CH2]C(C)CR(6)+C5H9L(57)<=>C9H17LR(68) 1.020000e+03 2.410 6.230 + +! Reaction index: Chemkin #348; RMG #348 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(68), C9H17LR(66); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(68)+RC10L(1)<=>C9H17LR(66)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #349; RMG #349 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(68), C9H17LR(67); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(68)+RC10L(1)<=>C9H17LR(67)+RC10L(1) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #350; RMG #350 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CC(C)CR(5)+RC10L(1)<=>CCCC(C)CR(32)+C9H17LR(69) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #351; RMG #351 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)L(4)+RC10L(1)<=>CC(C)L(13)+C9H17LR(69) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #352; RMG #352 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)CR(6)+RC10L(1)<=>CC(C)CR(20)+C9H17LR(69) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #353; RMG #353 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CC(C)L(7)+RC10L(1)<=>CCCC(C)L(16)+C9H17LR(69) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #354; RMG #354 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H14R(9)+RC10L(1)<=>CC(C)CC(C)CR(23)+C9H17LR(69) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #355; RMG #355 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]L(8)+RC10L(1)<=>CCL(26)+C9H17LR(69) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #356; RMG #356 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CR(10)+RC10L(1)<=>CCCR(27)+C9H17LR(69) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #357; RMG #357 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H12L(11)+RC10L(1)<=>CC(C)CC(C)L(25)+C9H17LR(69) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #358; RMG #358 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C9H17LR(69)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 4.616 + +! Reaction index: Chemkin #359; RMG #359 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(69) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #360; RMG #360 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C8H16L(15), C8H17L(49); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C8H16L(15)+RC10L(1)<=>C8H17L(49)+C9H17LR(69) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #361; RMG #361 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C9H17LR(69)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 4.474 + +! Reaction index: Chemkin #362; RMG #362 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C9H17LR(69)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 4.616 + +! Reaction index: Chemkin #363; RMG #363 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C9H17LR(69)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 4.474 + +! Reaction index: Chemkin #364; RMG #364 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C9H17LR(69)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 4.474 + +! Reaction index: Chemkin #365; RMG #365 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C9H17LR(69)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #366; RMG #366 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C9H17LR(69)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #367; RMG #367 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C9H17LR(69)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #368; RMG #368 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C9H17LR(69)<=>C3H5L(59)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #369; RMG #369 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C9H17LR(69)<=>C4H7R(60)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #370; RMG #370 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C9H17LR(69)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #371; RMG #371 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C9H17LR(69)<=>C7H13R(62)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #372; RMG #372 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C9H17LR(69)<=>C6H11L(63)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #373; RMG #373 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); RC10L(1), C9H17LR(69); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C10H20R(64)<=>C9H17LR(69)+RC10(2) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #374; RMG #374 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(69), C9H17LR(65); +! From training reaction 3026 used for C/H/Cs3;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs3;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(69)+RC10L(1)<=>C9H17LR(65)+RC10L(1) 5.420000e-04 4.340 4.900 + +! Reaction index: Chemkin #375; RMG #375 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H7R(60), C9H17LR(69); C[CH]CC(C)L(7), C9H17LR(69); +! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C4H7R(60)+C[CH]CC(C)L(7)<=>C9H17LR(69) 5.575000e+02 2.470 3.895 + +! Reaction index: Chemkin #376; RMG #376 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(66), C9H17LR(69); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(66)+RC10L(1)<=>C9H17LR(69)+RC10L(1) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #377; RMG #377 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(67), C9H17LR(69); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(67)+RC10L(1)<=>C9H17LR(69)+RC10L(1) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #378; RMG #378 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(68), C9H17LR(69); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(68)+RC10L(1)<=>C9H17LR(69)+RC10L(1) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #379; RMG #379 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); CCCC(C)CR(32), C[CH]CC(C)CR(5); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)CR(32)+C9H17LR(70)<=>C[CH]CC(C)CR(5)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #380; RMG #380 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); CC(C)L(13), [CH2]C(C)L(4); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CC(C)L(13)+C9H17LR(70)<=>[CH2]C(C)L(4)+RC10L(1) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #381; RMG #381 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); CC(C)CR(20), [CH2]C(C)CR(6); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CC(C)CR(20)+C9H17LR(70)<=>[CH2]C(C)CR(6)+RC10L(1) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #382; RMG #382 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); CCCC(C)L(16), C[CH]CC(C)L(7); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)L(16)+C9H17LR(70)<=>C[CH]CC(C)L(7)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #383; RMG #383 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); CC(C)CC(C)CR(23), C7H14R(9); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CC(C)CC(C)CR(23)+C9H17LR(70)<=>C7H14R(9)+RC10L(1) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #384; RMG #384 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); CCL(26), C[CH]L(8); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCL(26)+C9H17LR(70)<=>C[CH]L(8)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #385; RMG #385 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); CCCR(27), C[CH]CR(10); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCR(27)+C9H17LR(70)<=>C[CH]CR(10)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #386; RMG #386 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); CC(C)CC(C)L(25), C6H12L(11); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CC(C)CC(C)L(25)+C9H17LR(70)<=>C6H12L(11)+RC10L(1) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #387; RMG #387 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C9H17LR(70)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #388; RMG #388 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(70); [CH2]R(14), CR(22); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(70) 1.630300e-04 4.810 8.490 + +! Reaction index: Chemkin #389; RMG #389 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C8H17L(49), C8H16L(15); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C8H17L(49)+C9H17LR(70)<=>C8H16L(15)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #390; RMG #390 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C9H17LR(70)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #391; RMG #391 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C9H17LR(70)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #392; RMG #392 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C2H3L(19), C9H17LR(70); C7H14R(9), C9H17LR(70); +! From training reaction 2938 used for Cds-CsH_Cds-HH;CsJ-CsHH +! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C2H3L(19)+C7H14R(9)<=>C9H17LR(70) 1.502000e+00 3.105 5.819 + +! Reaction index: Chemkin #393; RMG #393 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C9H17LR(70)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #394; RMG #394 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C9H17LR(70)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #395; RMG #395 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C9H17LR(70)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #396; RMG #396 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C9H17LR(70)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #397; RMG #397 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C9H17LR(70)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #398; RMG #398 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C9H17LR(70)<=>C3H5L(59)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #399; RMG #399 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+C9H17LR(70)<=>C4H7R(60)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #400; RMG #400 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C9H17LR(70)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #401; RMG #401 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C7H14R(9)+C9H17LR(70)<=>C7H13R(62)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #402; RMG #402 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H12L(11)+C9H17LR(70)<=>C6H11L(63)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #403; RMG #403 +! Template reaction: H_Abstraction +! Flux pairs: RC10(2), C10H20R(64); C9H17LR(70), RC10L(1); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(70)+RC10(2)<=>RC10L(1)+C10H20R(64) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #404; RMG #404 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(70), C9H17LR(65); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(70)+RC10L(1)<=>C9H17LR(65)+RC10L(1) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #405; RMG #405 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(70), C9H17LR(66); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(70)+RC10L(1)<=>C9H17LR(66)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #406; RMG #406 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(70), C9H17LR(67); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(70)+RC10L(1)<=>C9H17LR(67)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #407; RMG #407 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(70), C9H17LR(68); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(70)+RC10L(1)<=>C9H17LR(68)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #408; RMG #408 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(70), C9H17LR(69); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(70)+RC10L(1)<=>C9H17LR(69)+RC10L(1) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #409; RMG #409 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); CCCC(C)CR(32), C[CH]CC(C)CR(5); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)CR(32)+C9H17LR(71)<=>C[CH]CC(C)CR(5)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #410; RMG #410 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); CC(C)L(13), [CH2]C(C)L(4); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CC(C)L(13)+C9H17LR(71)<=>[CH2]C(C)L(4)+RC10L(1) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #411; RMG #411 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); CC(C)CR(20), [CH2]C(C)CR(6); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CC(C)CR(20)+C9H17LR(71)<=>[CH2]C(C)CR(6)+RC10L(1) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #412; RMG #412 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); CCCC(C)L(16), C[CH]CC(C)L(7); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)L(16)+C9H17LR(71)<=>C[CH]CC(C)L(7)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #413; RMG #413 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); CC(C)CC(C)CR(23), C7H14R(9); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CC(C)CC(C)CR(23)+C9H17LR(71)<=>C7H14R(9)+RC10L(1) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #414; RMG #414 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); CCL(26), C[CH]L(8); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCL(26)+C9H17LR(71)<=>C[CH]L(8)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #415; RMG #415 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); CCCR(27), C[CH]CR(10); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCR(27)+C9H17LR(71)<=>C[CH]CR(10)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #416; RMG #416 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); CC(C)CC(C)L(25), C6H12L(11); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CC(C)CC(C)L(25)+C9H17LR(71)<=>C6H12L(11)+RC10L(1) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #417; RMG #417 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C9H17LR(71)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #418; RMG #418 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5R(12), C9H17LR(71); C6H12L(11), C9H17LR(71); +! From training reaction 2938 used for Cds-CsH_Cds-HH;CsJ-CsHH +! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H5R(12)+C6H12L(11)<=>C9H17LR(71) 1.502000e+00 3.105 5.819 + +! Reaction index: Chemkin #419; RMG #419 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(71); [CH2]R(14), CR(22); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(71) 1.630300e-04 4.810 8.490 + +! Reaction index: Chemkin #420; RMG #420 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C8H17L(49), C8H16L(15); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C8H17L(49)+C9H17LR(71)<=>C8H16L(15)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #421; RMG #421 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C9H17LR(71)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #422; RMG #422 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C9H17LR(71)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #423; RMG #423 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C9H17LR(71)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #424; RMG #424 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: [CH2]R(14), C9H17LR(71); C8H15L(21), C9H17LR(71); +! From training reaction 2938 used for Cds-CsH_Cds-HH;CsJ-CsHH +! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +[CH2]R(14)+C8H15L(21)<=>C9H17LR(71) 1.502000e+00 3.105 5.819 + +! Reaction index: Chemkin #425; RMG #425 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C9H17LR(71)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #426; RMG #426 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C9H17LR(71)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #427; RMG #427 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C9H17LR(71)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #428; RMG #428 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C9H17LR(71)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #429; RMG #429 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C9H17LR(71)<=>C3H5L(59)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #430; RMG #430 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+C9H17LR(71)<=>C4H7R(60)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #431; RMG #431 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C9H17LR(71)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #432; RMG #432 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C7H14R(9)+C9H17LR(71)<=>C7H13R(62)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #433; RMG #433 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H12L(11)+C9H17LR(71)<=>C6H11L(63)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #434; RMG #434 +! Template reaction: H_Abstraction +! Flux pairs: RC10(2), C10H20R(64); C9H17LR(71), RC10L(1); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(71)+RC10(2)<=>RC10L(1)+C10H20R(64) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #435; RMG #435 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(71), C9H17LR(65); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(71)+RC10L(1)<=>C9H17LR(65)+RC10L(1) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #436; RMG #436 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(71), C9H17LR(66); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(71)+RC10L(1)<=>C9H17LR(66)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #437; RMG #437 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(71), C9H17LR(67); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(71)+RC10L(1)<=>C9H17LR(67)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #438; RMG #438 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(71), C9H17LR(68); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(71)+RC10L(1)<=>C9H17LR(68)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #439; RMG #439 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(71), C9H17LR(69); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(71)+RC10L(1)<=>C9H17LR(69)+RC10L(1) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #440; RMG #440 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(71), C9H17LR(70); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C9H17LR(71)+RC10L(1)<=>C9H17LR(70)+RC10L(1) 1.630300e-04 4.810 8.490 + +! Reaction index: Chemkin #441; RMG #441 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CC(C)CR(5)+RC10L(1)<=>CCCC(C)CR(32)+C9H17LR(72) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #442; RMG #442 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)L(4)+RC10L(1)<=>CC(C)L(13)+C9H17LR(72) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #443; RMG #443 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)CR(6)+RC10L(1)<=>CC(C)CR(20)+C9H17LR(72) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #444; RMG #444 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CC(C)L(7)+RC10L(1)<=>CCCC(C)L(16)+C9H17LR(72) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #445; RMG #445 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H14R(9)+RC10L(1)<=>CC(C)CC(C)CR(23)+C9H17LR(72) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #446; RMG #446 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]L(8)+RC10L(1)<=>CCL(26)+C9H17LR(72) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #447; RMG #447 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CR(10)+RC10L(1)<=>CCCR(27)+C9H17LR(72) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #448; RMG #448 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H12L(11)+RC10L(1)<=>CC(C)CC(C)L(25)+C9H17LR(72) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #449; RMG #449 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C9H17LR(72)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 4.616 + +! Reaction index: Chemkin #450; RMG #450 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(72) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #451; RMG #451 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C8H16L(15), C8H17L(49); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C8H16L(15)+RC10L(1)<=>C8H17L(49)+C9H17LR(72) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #452; RMG #452 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C9H17LR(72)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 4.474 + +! Reaction index: Chemkin #453; RMG #453 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C9H17LR(72)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 4.616 + +! Reaction index: Chemkin #454; RMG #454 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C9H17LR(72)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 4.474 + +! Reaction index: Chemkin #455; RMG #455 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C9H17LR(72)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 4.474 + +! Reaction index: Chemkin #456; RMG #456 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C9H17LR(72)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #457; RMG #457 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C9H17LR(72)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #458; RMG #458 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C9H17LR(72)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #459; RMG #459 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C9H17LR(72)<=>C3H5L(59)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #460; RMG #460 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5L(59), C9H17LR(72); C[CH]CC(C)CR(5), C9H17LR(72); +! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H5L(59)+C[CH]CC(C)CR(5)<=>C9H17LR(72) 5.575000e+02 2.470 3.895 + +! Reaction index: Chemkin #461; RMG #461 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C9H17LR(72)<=>C4H7R(60)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #462; RMG #462 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C9H17LR(72)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #463; RMG #463 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C9H17LR(72)<=>C7H13R(62)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #464; RMG #464 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C9H17LR(72)<=>C6H11L(63)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #465; RMG #465 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); RC10L(1), C9H17LR(72); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C10H20R(64)<=>C9H17LR(72)+RC10(2) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #466; RMG #466 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(72), C9H17LR(65); +! From training reaction 3026 used for C/H/Cs3;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs3;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(72)+RC10L(1)<=>C9H17LR(65)+RC10L(1) 5.420000e-04 4.340 4.900 + +! Reaction index: Chemkin #467; RMG #467 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(66), C9H17LR(72); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(66)+RC10L(1)<=>C9H17LR(72)+RC10L(1) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #468; RMG #468 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(67), C9H17LR(72); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(67)+RC10L(1)<=>C9H17LR(72)+RC10L(1) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #469; RMG #469 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(68), C9H17LR(72); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(68)+RC10L(1)<=>C9H17LR(72)+RC10L(1) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #470; RMG #470 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(72), C9H17LR(69); +! From training reaction 3026 used for C/H/Cs3;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs3;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(72)+RC10L(1)<=>C9H17LR(69)+RC10L(1) 5.420000e-04 4.340 4.900 + +! Reaction index: Chemkin #471; RMG #471 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(70), C9H17LR(72); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(70)+RC10L(1)<=>C9H17LR(72)+RC10L(1) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #472; RMG #472 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(71), C9H17LR(72); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(71)+RC10L(1)<=>C9H17LR(72)+RC10L(1) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #473; RMG #473 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); CCCC(C)CR(32), C[CH]CC(C)CR(5); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)CR(32)+C9H17LR(73)<=>C[CH]CC(C)CR(5)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #474; RMG #474 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); CC(C)L(13), [CH2]C(C)L(4); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CC(C)L(13)+C9H17LR(73)<=>[CH2]C(C)L(4)+RC10L(1) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #475; RMG #475 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); CC(C)CR(20), [CH2]C(C)CR(6); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CC(C)CR(20)+C9H17LR(73)<=>[CH2]C(C)CR(6)+RC10L(1) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #476; RMG #476 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); CCCC(C)L(16), C[CH]CC(C)L(7); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)L(16)+C9H17LR(73)<=>C[CH]CC(C)L(7)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #477; RMG #477 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); CC(C)CC(C)CR(23), C7H14R(9); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CC(C)CC(C)CR(23)+C9H17LR(73)<=>C7H14R(9)+RC10L(1) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #478; RMG #478 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); CCL(26), C[CH]L(8); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCL(26)+C9H17LR(73)<=>C[CH]L(8)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #479; RMG #479 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); CCCR(27), C[CH]CR(10); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCR(27)+C9H17LR(73)<=>C[CH]CR(10)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #480; RMG #480 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); CC(C)CC(C)L(25), C6H12L(11); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CC(C)CC(C)L(25)+C9H17LR(73)<=>C6H12L(11)+RC10L(1) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #481; RMG #481 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C9H17LR(73)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #482; RMG #482 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(73); [CH2]R(14), CR(22); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(73) 1.630300e-04 4.810 8.490 + +! Reaction index: Chemkin #483; RMG #483 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C8H17L(49), C8H16L(15); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C8H17L(49)+C9H17LR(73)<=>C8H16L(15)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #484; RMG #484 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C9H17LR(73)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #485; RMG #485 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: [CH2]C(C)L(4), C9H17LR(73); C6H11R(17), C9H17LR(73); +! From training reaction 2938 used for Cds-CsH_Cds-HH;CsJ-CsHH +! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +[CH2]C(C)L(4)+C6H11R(17)<=>C9H17LR(73) 1.502000e+00 3.105 5.819 + +! Reaction index: Chemkin #486; RMG #486 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C9H17LR(73)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #487; RMG #487 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C9H17LR(73)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #488; RMG #488 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C9H17LR(73)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #489; RMG #489 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: [CH2]C(C)CR(6), C9H17LR(73); C5H9L(24), C9H17LR(73); +! From training reaction 2938 used for Cds-CsH_Cds-HH;CsJ-CsHH +! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +[CH2]C(C)CR(6)+C5H9L(24)<=>C9H17LR(73) 1.502000e+00 3.105 5.819 + +! Reaction index: Chemkin #490; RMG #490 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C9H17LR(73)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #491; RMG #491 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C9H17LR(73)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #492; RMG #492 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C9H17LR(73)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #493; RMG #493 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C9H17LR(73)<=>C3H5L(59)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #494; RMG #494 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+C9H17LR(73)<=>C4H7R(60)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #495; RMG #495 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C9H17LR(73)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #496; RMG #496 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C7H14R(9)+C9H17LR(73)<=>C7H13R(62)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #497; RMG #497 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H12L(11)+C9H17LR(73)<=>C6H11L(63)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #498; RMG #498 +! Template reaction: H_Abstraction +! Flux pairs: RC10(2), C10H20R(64); C9H17LR(73), RC10L(1); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(73)+RC10(2)<=>RC10L(1)+C10H20R(64) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #499; RMG #499 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(73), C9H17LR(65); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(73)+RC10L(1)<=>C9H17LR(65)+RC10L(1) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #500; RMG #500 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(73), C9H17LR(66); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(73)+RC10L(1)<=>C9H17LR(66)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #501; RMG #501 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(73), C9H17LR(67); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(73)+RC10L(1)<=>C9H17LR(67)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #502; RMG #502 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(73), C9H17LR(68); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(73)+RC10L(1)<=>C9H17LR(68)+RC10L(1) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #503; RMG #503 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(73), C9H17LR(69); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(73)+RC10L(1)<=>C9H17LR(69)+RC10L(1) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #504; RMG #504 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(73), C9H17LR(70); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C9H17LR(73)+RC10L(1)<=>C9H17LR(70)+RC10L(1) 1.630300e-04 4.810 8.490 + +! Reaction index: Chemkin #505; RMG #505 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(73), C9H17LR(71); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C9H17LR(73)+RC10L(1)<=>C9H17LR(71)+RC10L(1) 1.630300e-04 4.810 8.490 + +! Reaction index: Chemkin #506; RMG #506 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), RC10L(1); C9H17LR(73), C9H17LR(72); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C9H17LR(73)+RC10L(1)<=>C9H17LR(72)+RC10L(1) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #507; RMG #507 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CH3(74), [CH2]C(C)L(4); C2H3L(19), [CH2]C(C)L(4); +! From training reaction 2929 used for Cds-CsH_Cds-HH;CsJ-HHH +! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-HHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +CH3(74)+C2H3L(19)<=>[CH2]C(C)L(4) 1.580000e+02 2.966 6.337 + +! Reaction index: Chemkin #508; RMG #508 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CH3(74), [CH2]C(C)CR(6); C3H5R(12), [CH2]C(C)CR(6); +! From training reaction 2929 used for Cds-CsH_Cds-HH;CsJ-HHH +! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-HHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +CH3(74)+C3H5R(12)<=>[CH2]C(C)CR(6) 1.580000e+02 2.966 6.337 + +! Reaction index: Chemkin #509; RMG #509 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CH3(74), C7H14R(9); C6H11R(17), C7H14R(9); +! From training reaction 2929 used for Cds-CsH_Cds-HH;CsJ-HHH +! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-HHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +CH3(74)+C6H11R(17)<=>C7H14R(9) 1.580000e+02 2.966 6.337 + +! Reaction index: Chemkin #510; RMG #510 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CH3(74), C6H12L(11); C5H9L(24), C6H12L(11); +! From training reaction 2929 used for Cds-CsH_Cds-HH;CsJ-HHH +! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-HHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +CH3(74)+C5H9L(24)<=>C6H12L(11) 1.580000e+02 2.966 6.337 + +! Reaction index: Chemkin #511; RMG #511 +! Library reaction: restart +! Flux pairs: CH3(74), CC(C)L(13); C[CH]L(8), CC(C)L(13); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +CH3(74)+C[CH]L(8)<=>CC(C)L(13) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #512; RMG #512 +! Library reaction: restart +! Flux pairs: CH3(74), CC(C)CR(20); C[CH]CR(10), CC(C)CR(20); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +CH3(74)+C[CH]CR(10)<=>CC(C)CR(20) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #513; RMG #513 +! Library reaction: restart +! Flux pairs: CH3(74), CC(C)CC(C)CR(23); C[CH]CC(C)CR(5), CC(C)CC(C)CR(23); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +CH3(74)+C[CH]CC(C)CR(5)<=>CC(C)CC(C)CR(23) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #514; RMG #514 +! Library reaction: restart +! Flux pairs: CH3(74), CC(C)CC(C)L(25); C[CH]CC(C)L(7), CC(C)CC(C)L(25); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +CH3(74)+C[CH]CC(C)L(7)<=>CC(C)CC(C)L(25) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #515; RMG #515 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); CH3(74), C(75); +! From training reaction 953 used for C/H/Cs3;C_methyl +! Exact match found for rate rule [C/H/Cs3;C_methyl] +! Euclidian distance = 0 +! family: H_Abstraction +CH3(74)+RC10L(1)<=>C(75)+C9H17LR(65) 1.130000e-02 4.340 7.690 + +! Reaction index: Chemkin #516; RMG #516 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); CH3(74), C(75); +! From training reaction 953 used for C/H/Cs3;C_methyl +! Exact match found for rate rule [C/H/Cs3;C_methyl] +! Euclidian distance = 0 +! family: H_Abstraction +CH3(74)+RC10L(1)<=>C(75)+C9H17LR(69) 1.130000e-02 4.340 7.690 + +! Reaction index: Chemkin #517; RMG #517 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(66); CH3(74), C(75); +! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(74)+RC10L(1)<=>C(75)+C9H17LR(66) 1.606000e-02 4.340 6.610 + +! Reaction index: Chemkin #518; RMG #518 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(68); CH3(74), C(75); +! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(74)+RC10L(1)<=>C(75)+C9H17LR(68) 1.606000e-02 4.340 6.610 + +! Reaction index: Chemkin #519; RMG #519 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); CH3(74), C(75); +! From training reaction 953 used for C/H/Cs3;C_methyl +! Exact match found for rate rule [C/H/Cs3;C_methyl] +! Euclidian distance = 0 +! family: H_Abstraction +CH3(74)+RC10L(1)<=>C(75)+C9H17LR(72) 1.130000e-02 4.340 7.690 + +! Reaction index: Chemkin #520; RMG #520 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(73); CH3(74), C(75); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +CH3(74)+RC10L(1)<=>C(75)+C9H17LR(73) 1.419000e+00 3.600 11.050 + +! Reaction index: Chemkin #521; RMG #521 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(71); CH3(74), C(75); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +CH3(74)+RC10L(1)<=>C(75)+C9H17LR(71) 1.419000e+00 3.600 11.050 + +! Reaction index: Chemkin #522; RMG #522 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(67); CH3(74), C(75); +! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(74)+RC10L(1)<=>C(75)+C9H17LR(67) 1.606000e-02 4.340 6.610 + +! Reaction index: Chemkin #523; RMG #523 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(70); CH3(74), C(75); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +CH3(74)+RC10L(1)<=>C(75)+C9H17LR(70) 1.419000e+00 3.600 11.050 + +! Reaction index: Chemkin #524; RMG #524 +! Template reaction: H_Abstraction +! Flux pairs: RC10(2), C10H20R(64); CH3(74), C(75); +! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(74)+RC10(2)<=>C(75)+C10H20R(64) 1.606000e-02 4.340 6.610 + +! Reaction index: Chemkin #525; RMG #525 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C +CH3(74)+[CH2]C(C)CR(6)<=>C(75)+C4H7R(60) 3.543620e+12 -0.187 0.000 + +! Reaction index: Chemkin #526; RMG #526 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(58); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(74)+C[CH]CR(10)<=>C(75)+C3H5R(58) 9.124700e+12 -0.160 0.000 +DUPLICATE + +! Reaction index: Chemkin #527; RMG #527 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(12); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C[CH]CR(10)<=>C(75)+C3H5R(12) 1.225850e+27 -4.376 3.228 + +! Reaction index: Chemkin #528; RMG #528 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), C3H5L(59); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C +CH3(74)+[CH2]C(C)L(4)<=>C(75)+C3H5L(59) 3.543620e+12 -0.187 0.000 + +! Reaction index: Chemkin #529; RMG #529 +! Library reaction: restart +! Flux pairs: C[CH]L(8), C2H3L(19); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C[CH]L(8)<=>C(75)+C2H3L(19) 1.225850e+27 -4.376 3.228 + +! Reaction index: Chemkin #530; RMG #530 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C +CH3(74)+C6H12L(11)<=>C(75)+C6H11L(63) 3.543620e+12 -0.187 0.000 + +! Reaction index: Chemkin #531; RMG #531 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)L(13), [CH2]C(C)L(4); CH3(74), C(75); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CH3(74)+CC(C)L(13)<=>C(75)+[CH2]C(C)L(4) 2.838000e+00 3.600 11.050 + +! Reaction index: Chemkin #532; RMG #532 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)L(16), C[CH]CC(C)L(7); CH3(74), C(75); +! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(74)+CCCC(C)L(16)<=>C(75)+C[CH]CC(C)L(7) 1.606000e-02 4.340 6.610 + +! Reaction index: Chemkin #533; RMG #533 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CR(20), [CH2]C(C)CR(6); CH3(74), C(75); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CH3(74)+CC(C)CR(20)<=>C(75)+[CH2]C(C)CR(6) 2.838000e+00 3.600 11.050 + +! Reaction index: Chemkin #534; RMG #534 +! Template reaction: H_Abstraction +! Flux pairs: CR(22), C(75); CH3(74), [CH2]R(14); +! Estimated using template [C/H3/Cs\OneNonDe;C_methyl] for rate rule [C/H3/Cs\H2\Cs;C_methyl] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +CH3(74)+CR(22)<=>[CH2]R(14)+C(75) 2.000000e+00 3.570 7.717 + +! Reaction index: Chemkin #535; RMG #535 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)CR(23), C7H14R(9); CH3(74), C(75); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CH3(74)+CC(C)CC(C)CR(23)<=>C(75)+C7H14R(9) 2.838000e+00 3.600 11.050 + +! Reaction index: Chemkin #536; RMG #536 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)L(25), C6H12L(11); CH3(74), C(75); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CH3(74)+CC(C)CC(C)L(25)<=>C(75)+C6H12L(11) 2.838000e+00 3.600 11.050 + +! Reaction index: Chemkin #537; RMG #537 +! Template reaction: H_Abstraction +! Flux pairs: CCL(26), C[CH]L(8); CH3(74), C(75); +! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(74)+CCL(26)<=>C(75)+C[CH]L(8) 1.606000e-02 4.340 6.610 + +! Reaction index: Chemkin #538; RMG #538 +! Template reaction: H_Abstraction +! Flux pairs: CCCR(27), C[CH]CR(10); CH3(74), C(75); +! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(74)+CCCR(27)<=>C(75)+C[CH]CR(10) 1.606000e-02 4.340 6.610 + +! Reaction index: Chemkin #539; RMG #539 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); CH3(74), C(75); +! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(74)+CCCC(C)CR(32)<=>C(75)+C[CH]CC(C)CR(5) 1.606000e-02 4.340 6.610 + +! Reaction index: Chemkin #540; RMG #540 +! Template reaction: H_Abstraction +! Flux pairs: C8H17L(49), C8H16L(15); CH3(74), C(75); +! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(74)+C8H17L(49)<=>C(75)+C8H16L(15) 1.606000e-02 4.340 6.610 + +! Reaction index: Chemkin #541; RMG #541 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); CCCC(C)CR(32), C[CH]CC(C)CR(5); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)CR(32)+C10H20L(76)<=>C[CH]CC(C)CR(5)+LC10(3) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #542; RMG #542 +! Template reaction: H_Abstraction +! Flux pairs: LC10(3), C10H20L(76); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+LC10(3)<=>CC(C)L(13)+C10H20L(76) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #543; RMG #543 +! Template reaction: H_Abstraction +! Flux pairs: LC10(3), C10H20L(76); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+LC10(3)<=>CC(C)CR(20)+C10H20L(76) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #544; RMG #544 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); CCCC(C)L(16), C[CH]CC(C)L(7); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)L(16)+C10H20L(76)<=>C[CH]CC(C)L(7)+LC10(3) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #545; RMG #545 +! Template reaction: H_Abstraction +! Flux pairs: LC10(3), C10H20L(76); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H14R(9)+LC10(3)<=>CC(C)CC(C)CR(23)+C10H20L(76) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #546; RMG #546 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); CCL(26), C[CH]L(8); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCL(26)+C10H20L(76)<=>C[CH]L(8)+LC10(3) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #547; RMG #547 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); CCCR(27), C[CH]CR(10); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCR(27)+C10H20L(76)<=>C[CH]CR(10)+LC10(3) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #548; RMG #548 +! Template reaction: H_Abstraction +! Flux pairs: LC10(3), C10H20L(76); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H12L(11)+LC10(3)<=>CC(C)CC(C)L(25)+C10H20L(76) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #549; RMG #549 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C10H20L(76)<=>C3H5R(12)+LC10(3) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #550; RMG #550 +! Template reaction: H_Abstraction +! Flux pairs: LC10(3), C10H20L(76); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+LC10(3)<=>CR(22)+C10H20L(76) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #551; RMG #551 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C8H17L(49), C8H16L(15); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C8H17L(49)+C10H20L(76)<=>C8H16L(15)+LC10(3) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #552; RMG #552 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C10H20L(76)<=>C6H11R(17)+LC10(3) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #553; RMG #553 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C10H20L(76)<=>C2H3L(19)+LC10(3) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #554; RMG #554 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C10H20L(76)<=>C8H15L(21)+LC10(3) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #555; RMG #555 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C10H20L(76)<=>C5H9L(24)+LC10(3) 1.225850e+27 -4.376 4.138 + +! Reaction index: Chemkin #556; RMG #556 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C10H20L(76)<=>C6H11R(56)+LC10(3) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #557; RMG #557 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C10H20L(76)<=>C5H9L(57)+LC10(3) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #558; RMG #558 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C10H20L(76)<=>C3H5R(58)+LC10(3) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #559; RMG #559 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C10H20L(76)<=>C3H5L(59)+LC10(3) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #560; RMG #560 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C10H20L(76)<=>C4H7R(60)+LC10(3) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #561; RMG #561 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C10H20L(76)<=>C8H15L(61)+LC10(3) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #562; RMG #562 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C10H20L(76)<=>C7H13R(62)+LC10(3) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #563; RMG #563 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C10H20L(76)<=>C6H11L(63)+LC10(3) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #564; RMG #564 +! Template reaction: H_Abstraction +! Flux pairs: RC10(2), LC10(3); C10H20L(76), C10H20R(64); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C10H20L(76)+RC10(2)<=>C10H20R(64)+LC10(3) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #565; RMG #565 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); RC10L(1), C9H17LR(65); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C10H20L(76)<=>C9H17LR(65)+LC10(3) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #566; RMG #566 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); RC10L(1), C9H17LR(66); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +RC10L(1)+C10H20L(76)<=>C9H17LR(66)+LC10(3) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #567; RMG #567 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); RC10L(1), C9H17LR(67); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +RC10L(1)+C10H20L(76)<=>C9H17LR(67)+LC10(3) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #568; RMG #568 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); RC10L(1), C9H17LR(68); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +RC10L(1)+C10H20L(76)<=>C9H17LR(68)+LC10(3) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #569; RMG #569 +! Template reaction: H_Abstraction +! Flux pairs: LC10(3), C10H20L(76); C9H17LR(70), RC10L(1); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(70)+LC10(3)<=>RC10L(1)+C10H20L(76) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #570; RMG #570 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); RC10L(1), C9H17LR(69); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C10H20L(76)<=>C9H17LR(69)+LC10(3) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #571; RMG #571 +! Template reaction: H_Abstraction +! Flux pairs: LC10(3), C10H20L(76); C9H17LR(71), RC10L(1); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(71)+LC10(3)<=>RC10L(1)+C10H20L(76) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #572; RMG #572 +! Template reaction: H_Abstraction +! Flux pairs: LC10(3), C10H20L(76); C9H17LR(73), RC10L(1); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(73)+LC10(3)<=>RC10L(1)+C10H20L(76) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #573; RMG #573 +! Template reaction: H_Abstraction +! Flux pairs: LC10(3), C10H20L(76); CH3(74), C(75); +! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(74)+LC10(3)<=>C(75)+C10H20L(76) 1.606000e-02 4.340 6.610 + +! Reaction index: Chemkin #574; RMG #574 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); RC10L(1), C9H17LR(72); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C10H20L(76)<=>C9H17LR(72)+LC10(3) 1.277120e-04 4.473 6.257 + +! Reaction index: Chemkin #575; RMG #575 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C[CH]CC(C)CR(5)<=>C(75)+C6H11R(17) 1.225850e+27 -4.376 3.114 + +! Reaction index: Chemkin #576; RMG #576 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C8H16L(15)<=>C(75)+C8H15L(21) 1.225850e+27 -4.376 3.114 + +! Reaction index: Chemkin #577; RMG #577 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C[CH]CC(C)L(7)<=>C(75)+C5H9L(24) 1.225850e+27 -4.376 3.114 + +! Reaction index: Chemkin #578; RMG #578 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C[CH]CC(C)CR(5)<=>C(75)+C6H11R(56) 1.150000e+13 -0.320 0.000 +DUPLICATE + +! Reaction index: Chemkin #579; RMG #579 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(74)+C[CH]CC(C)CR(5)<=>C(75)+C6H11R(56) 9.124700e+12 -0.160 0.000 +DUPLICATE + +! Reaction index: Chemkin #580; RMG #580 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C[CH]CC(C)L(7)<=>C(75)+C5H9L(57) 1.150000e+13 -0.320 0.000 +DUPLICATE + +! Reaction index: Chemkin #581; RMG #581 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(74)+C[CH]CC(C)L(7)<=>C(75)+C5H9L(57) 9.124700e+12 -0.160 0.000 +DUPLICATE + +! Reaction index: Chemkin #582; RMG #582 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(58); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C[CH]CR(10)<=>C(75)+C3H5R(58) 1.150000e+13 -0.320 0.000 +DUPLICATE + +! Reaction index: Chemkin #583; RMG #583 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(58); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(74)+C[CH]CR(10)<=>C(75)+C3H5R(58) 9.124700e+12 -0.160 0.000 +DUPLICATE + +! Reaction index: Chemkin #584; RMG #584 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C8H16L(15)<=>C(75)+C8H15L(61) 1.150000e+13 -0.320 0.000 +DUPLICATE + +! Reaction index: Chemkin #585; RMG #585 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(74)+C8H16L(15)<=>C(75)+C8H15L(61) 9.124700e+12 -0.160 0.000 +DUPLICATE + +! Reaction index: Chemkin #586; RMG #586 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C +CH3(74)+C7H14R(9)<=>C(75)+C7H13R(62) 3.543620e+12 -0.187 0.000 + +! Reaction index: Chemkin #587; RMG #587 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CR(10)+C5H9L(57)<=>CCCR(27)+C5H8L(77) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #588; RMG #588 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)L(4)+C5H9L(57)<=>CC(C)L(13)+C5H8L(77) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #589; RMG #589 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]L(8)+C5H9L(57)<=>CCL(26)+C5H8L(77) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #590; RMG #590 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(57); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C5H8L(77)<=>C3H5R(12)+C5H9L(57) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #591; RMG #591 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]R(14)+C5H9L(57)<=>CR(22)+C5H8L(77) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #592; RMG #592 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C[CH]CC(C)CR(5)<=>C5H9L(57)+C6H11R(17) 1.225850e+27 -4.376 7.170 + +! Reaction index: Chemkin #593; RMG #593 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(57); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C5H8L(77)<=>C2H3L(19)+C5H9L(57) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #594; RMG #594 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C8H16L(15)<=>C5H9L(57)+C8H15L(21) 1.225850e+27 -4.376 7.170 + +! Reaction index: Chemkin #595; RMG #595 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C5H8L(77), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C[CH]CC(C)L(7)<=>C5H9L(24)+C5H9L(57) 1.225850e+27 -4.376 7.170 + +! Reaction index: Chemkin #596; RMG #596 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C[CH]CC(C)CR(5)<=>C5H9L(57)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #597; RMG #597 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C[CH]CC(C)L(7)<=>C5H9L(57)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #598; RMG #598 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(57); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C5H8L(77)<=>C3H5R(58)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #599; RMG #599 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(57); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C5H8L(77)<=>C3H5L(59)+C5H9L(57) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #600; RMG #600 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(57); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C5H8L(77)<=>C4H7R(60)+C5H9L(57) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #601; RMG #601 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C5H9L(57)<=>CC(C)CR(20)+C5H8L(77) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #602; RMG #602 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H9L(57), C5H8L(77); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C[CH]CC(C)L(7)<=>C5H8L(77)+CCCC(C)L(16) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #603; RMG #603 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C8H16L(15)<=>C5H9L(57)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #604; RMG #604 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(77)+C7H14R(9)<=>C5H9L(57)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #605; RMG #605 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(77)+C6H12L(11)<=>C5H9L(57)+C6H11L(63) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #606; RMG #606 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C5H9L(57), C5H8L(77); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C10H20R(64)<=>C5H8L(77)+RC10(2) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #607; RMG #607 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C5H9L(57), C5H8L(77); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C9H17LR(65)<=>C5H8L(77)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #608; RMG #608 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H9L(57), C5H8L(77); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C[CH]CC(C)CR(5)<=>C5H8L(77)+CCCC(C)CR(32) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #609; RMG #609 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H9L(57), C5H8L(77); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C7H14R(9)<=>C5H8L(77)+CC(C)CC(C)CR(23) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #610; RMG #610 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H9L(57), C5H8L(77); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C6H12L(11)<=>C5H8L(77)+CC(C)CC(C)L(25) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #611; RMG #611 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C5H9L(57), C5H8L(77); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C9H17LR(66)<=>C5H8L(77)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #612; RMG #612 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C5H9L(57), C5H8L(77); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C9H17LR(67)<=>C5H8L(77)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #613; RMG #613 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C5H9L(57), C5H8L(77); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C9H17LR(68)<=>C5H8L(77)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #614; RMG #614 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C5H9L(57), C5H8L(77); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C8H16L(15)<=>C5H8L(77)+C8H17L(49) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #615; RMG #615 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C5H9L(57), C5H8L(77); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C9H17LR(69)<=>C5H8L(77)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #616; RMG #616 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C5H9L(57), C5H8L(77); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C9H17LR(70)<=>C5H8L(77)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #617; RMG #617 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C5H9L(57), C5H8L(77); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C9H17LR(71)<=>C5H8L(77)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #618; RMG #618 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C5H9L(57), C5H8L(77); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C9H17LR(72)<=>C5H8L(77)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #619; RMG #619 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C5H9L(57), C5H8L(77); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C9H17LR(73)<=>C5H8L(77)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #620; RMG #620 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); CH3(74), C(75); +! From training reaction 1082 used for C/H/Cs2Cd;C_methyl +! Exact match found for rate rule [C/H/Cs2Cd;C_methyl] +! Euclidian distance = 0 +! family: H_Abstraction +CH3(74)+C5H9L(57)<=>C(75)+C5H8L(77) 5.870000e-03 4.340 2.200 + +! Reaction index: Chemkin #621; RMG #621 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C5H9L(57), C5H8L(77); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C10H20L(76)<=>C5H8L(77)+LC10(3) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #622; RMG #622 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+[CH2]C(C)CR(6)<=>C3H4R(78)+CC(C)CR(20) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #623; RMG #623 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CR(10), CCCR(27); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C[CH]CR(10)<=>C3H4R(78)+CCCR(27) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #624; RMG #624 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C[CH]CC(C)CR(5)<=>C3H4R(78)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #625; RMG #625 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+[CH2]C(C)L(4)<=>C3H4R(78)+CC(C)L(13) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #626; RMG #626 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C7H14R(9)<=>C3H4R(78)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #627; RMG #627 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C[CH]CC(C)L(7)<=>C3H4R(78)+CCCC(C)L(16) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #628; RMG #628 +! Template reaction: H_Abstraction +! Flux pairs: C3H5R(12), C3H4R(78); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C3H5R(12)<=>CCL(26)+C3H4R(78) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #629; RMG #629 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C6H12L(11)<=>C3H4R(78)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #630; RMG #630 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(12); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C[CH]CR(10)<=>C3H5R(12)+C3H5R(12) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #631; RMG #631 +! Template reaction: H_Abstraction +! Flux pairs: C3H5R(12), C3H4R(78); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C3H5R(12)<=>CR(22)+C3H4R(78) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #632; RMG #632 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C8H16L(15)<=>C3H4R(78)+C8H17L(49) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #633; RMG #633 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C[CH]CC(C)CR(5)<=>C3H5R(12)+C6H11R(17) 1.225850e+27 -4.376 6.739 + +! Reaction index: Chemkin #634; RMG #634 +! Library reaction: restart +! Flux pairs: C3H4R(78), C3H5R(12); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C3H4R(78)<=>C2H3L(19)+C3H5R(12) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #635; RMG #635 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C8H16L(15)<=>C3H5R(12)+C8H15L(21) 1.225850e+27 -4.376 6.739 + +! Reaction index: Chemkin #636; RMG #636 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C[CH]CC(C)L(7)<=>C3H5R(12)+C5H9L(24) 1.225850e+27 -4.376 6.739 + +! Reaction index: Chemkin #637; RMG #637 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C[CH]CC(C)CR(5)<=>C3H5R(12)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #638; RMG #638 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+[CH2]C(C)CR(6)<=>C3H4R(78)+CC(C)CR(20) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #639; RMG #639 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CR(10), CCCR(27); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+C[CH]CR(10)<=>C3H4R(78)+CCCR(27) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #640; RMG #640 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+C[CH]CC(C)CR(5)<=>C3H4R(78)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #641; RMG #641 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+[CH2]C(C)L(4)<=>C3H4R(78)+CC(C)L(13) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #642; RMG #642 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+C7H14R(9)<=>C3H4R(78)+CC(C)CC(C)CR(23) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #643; RMG #643 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+C[CH]CC(C)L(7)<=>C3H4R(78)+CCCC(C)L(16) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #644; RMG #644 +! Template reaction: H_Abstraction +! Flux pairs: C3H5R(58), C3H4R(78); C[CH]L(8), CCL(26); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]L(8)+C3H5R(58)<=>CCL(26)+C3H4R(78) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #645; RMG #645 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+C6H12L(11)<=>C3H4R(78)+CC(C)CC(C)L(25) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #646; RMG #646 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C[CH]CC(C)L(7)<=>C3H5R(12)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #647; RMG #647 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(58); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C[CH]CR(10)<=>C3H5R(12)+C3H5R(58) 1.547940e+12 0.025 0.000 +DUPLICATE + +! Reaction index: Chemkin #648; RMG #648 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(58); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C[CH]CR(10)<=>C3H5R(12)+C3H5R(58) 1.225850e+27 -4.376 6.263 +DUPLICATE + +! Reaction index: Chemkin #649; RMG #649 +! Template reaction: H_Abstraction +! Flux pairs: C3H5R(58), C3H4R(78); [CH2]R(14), CR(22); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]R(14)+C3H5R(58)<=>CR(22)+C3H4R(78) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #650; RMG #650 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C[CH]CC(C)CR(5)<=>C3H5R(58)+C6H11R(17) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #651; RMG #651 +! Library reaction: restart +! Flux pairs: C3H4R(78), C3H5R(58); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C3H4R(78)<=>C2H3L(19)+C3H5R(58) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #652; RMG #652 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C8H16L(15)<=>C3H5R(58)+C8H15L(21) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #653; RMG #653 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C[CH]CC(C)L(7)<=>C3H5R(58)+C5H9L(24) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #654; RMG #654 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C[CH]CC(C)CR(5)<=>C3H5R(58)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #655; RMG #655 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C[CH]CC(C)L(7)<=>C3H5R(58)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #656; RMG #656 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(58); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C[CH]CR(10)<=>C3H5R(58)+C3H5R(58) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #657; RMG #657 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), C3H5R(12); C3H4R(78), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C3H4R(78)+[CH2]C(C)L(4)<=>C3H5L(59)+C3H5R(12) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #658; RMG #658 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), C3H5R(58); C3H4R(78), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C3H4R(78)+[CH2]C(C)L(4)<=>C3H5L(59)+C3H5R(58) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #659; RMG #659 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C3H4R(78)+[CH2]C(C)CR(6)<=>C3H5R(12)+C4H7R(60) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #660; RMG #660 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C3H4R(78)+[CH2]C(C)CR(6)<=>C3H5R(58)+C4H7R(60) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #661; RMG #661 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C8H16L(15)<=>C3H5R(12)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #662; RMG #662 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C8H16L(15)<=>C3H5R(58)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #663; RMG #663 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C3H4R(78)+C7H14R(9)<=>C3H5R(12)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #664; RMG #664 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C3H4R(78)+C7H14R(9)<=>C3H5R(58)+C7H13R(62) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #665; RMG #665 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C3H4R(78)+C6H12L(11)<=>C3H5R(12)+C6H11L(63) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #666; RMG #666 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C3H4R(78)+C6H12L(11)<=>C3H5R(58)+C6H11L(63) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #667; RMG #667 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C10H20R(64)<=>C3H4R(78)+RC10(2) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #668; RMG #668 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+C10H20R(64)<=>C3H4R(78)+RC10(2) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #669; RMG #669 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C3H4R(78), C3H5R(12); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+RC10L(1)<=>C3H5R(12)+C9H17LR(65) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #670; RMG #670 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+C8H16L(15)<=>C3H4R(78)+C8H17L(49) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #671; RMG #671 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C3H4R(78), C3H5R(58); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+RC10L(1)<=>C3H5R(58)+C9H17LR(65) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #672; RMG #672 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C9H17LR(66)<=>C3H4R(78)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #673; RMG #673 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+C9H17LR(66)<=>C3H4R(78)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #674; RMG #674 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+C9H17LR(67)<=>C3H4R(78)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #675; RMG #675 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C9H17LR(67)<=>C3H4R(78)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #676; RMG #676 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C9H17LR(68)<=>C3H4R(78)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #677; RMG #677 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+C9H17LR(68)<=>C3H4R(78)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #678; RMG #678 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C3H4R(78), C3H5R(58); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+RC10L(1)<=>C3H5R(58)+C9H17LR(69) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #679; RMG #679 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C9H17LR(70)<=>C3H4R(78)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #680; RMG #680 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+C9H17LR(70)<=>C3H4R(78)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #681; RMG #681 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C3H4R(78), C3H5R(12); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+RC10L(1)<=>C3H5R(12)+C9H17LR(69) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #682; RMG #682 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C9H17LR(71)<=>C3H4R(78)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #683; RMG #683 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+C9H17LR(71)<=>C3H4R(78)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #684; RMG #684 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C3H4R(78), C3H5R(12); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+RC10L(1)<=>C3H5R(12)+C9H17LR(72) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #685; RMG #685 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C3H4R(78), C3H5R(58); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+RC10L(1)<=>C3H5R(58)+C9H17LR(72) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #686; RMG #686 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C9H17LR(73)<=>C3H4R(78)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #687; RMG #687 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+C9H17LR(73)<=>C3H4R(78)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #688; RMG #688 +! Template reaction: H_Abstraction +! Flux pairs: C3H4R(78), C3H5R(12); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C3H4R(78)<=>CH3(74)+C3H5R(12) 4.240000e-02 4.340 24.900 + +! Reaction index: Chemkin #689; RMG #689 +! Template reaction: H_Abstraction +! Flux pairs: C3H5R(58), C3H4R(78); CH3(74), C(75); +! From training reaction 758 used for C/H3/Cd\H_Cd\H\Cs;C_methyl +! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +CH3(74)+C3H5R(58)<=>C(75)+C3H4R(78) 7.200000e-02 4.250 7.530 + +! Reaction index: Chemkin #690; RMG #690 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C10H20L(76)<=>C3H4R(78)+LC10(3) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #691; RMG #691 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+C10H20L(76)<=>C3H4R(78)+LC10(3) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #692; RMG #692 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); C3H4R(78), C3H5R(12); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+C5H9L(57)<=>C3H5R(12)+C5H8L(77) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #693; RMG #693 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); C3H4R(78), C3H5R(58); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+C5H9L(57)<=>C3H5R(58)+C5H8L(77) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #694; RMG #694 +! Template reaction: H_Abstraction +! Flux pairs: C3H5R(12), C3H5R(58); C3H4R(78), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C3H5R(12)<=>C3H4R(78)+C3H5R(58) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #695; RMG #695 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H6R(79); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C4H7R(60)<=>CCCR(27)+C4H6R(79) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #696; RMG #696 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H6R(79); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C4H7R(60)<=>CC(C)L(13)+C4H6R(79) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #697; RMG #697 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H6R(79); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C4H7R(60)<=>CCL(26)+C4H6R(79) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #698; RMG #698 +! Library reaction: restart +! Flux pairs: C4H6R(79), C4H7R(60); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C4H6R(79)<=>C3H5R(12)+C4H7R(60) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #699; RMG #699 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H6R(79); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C4H7R(60)<=>CR(22)+C4H6R(79) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #700; RMG #700 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C[CH]CC(C)CR(5)<=>C4H7R(60)+C6H11R(17) 1.225850e+27 -4.376 6.739 + +! Reaction index: Chemkin #701; RMG #701 +! Library reaction: restart +! Flux pairs: C4H6R(79), C4H7R(60); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C4H6R(79)<=>C2H3L(19)+C4H7R(60) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #702; RMG #702 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C8H16L(15)<=>C4H7R(60)+C8H15L(21) 1.225850e+27 -4.376 6.739 + +! Reaction index: Chemkin #703; RMG #703 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C[CH]CC(C)L(7)<=>C4H7R(60)+C5H9L(24) 1.225850e+27 -4.376 6.739 + +! Reaction index: Chemkin #704; RMG #704 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C[CH]CC(C)CR(5)<=>C4H7R(60)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #705; RMG #705 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C[CH]CC(C)L(7)<=>C4H7R(60)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #706; RMG #706 +! Library reaction: restart +! Flux pairs: C4H6R(79), C4H7R(60); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C4H6R(79)<=>C3H5R(58)+C4H7R(60) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #707; RMG #707 +! Library reaction: restart +! Flux pairs: C4H6R(79), C4H7R(60); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C4H6R(79)<=>C3H5L(59)+C4H7R(60) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #708; RMG #708 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C4H6R(79)+[CH2]C(C)CR(6)<=>C4H7R(60)+C4H7R(60) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #709; RMG #709 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C4H6R(79)+C7H14R(9)<=>C4H7R(60)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #710; RMG #710 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C4H6R(79)+C6H12L(11)<=>C4H7R(60)+C6H11L(63) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #711; RMG #711 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C10H20R(64)<=>C4H6R(79)+RC10(2) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #712; RMG #712 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C[CH]CC(C)L(7)<=>C4H6R(79)+CCCC(C)L(16) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #713; RMG #713 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C8H16L(15)<=>C4H7R(60)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #714; RMG #714 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C4H6R(79), C4H7R(60); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6R(79)+RC10L(1)<=>C4H7R(60)+C9H17LR(65) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #715; RMG #715 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+[CH2]C(C)CR(6)<=>C4H6R(79)+CC(C)CR(20) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #716; RMG #716 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C[CH]CC(C)CR(5)<=>C4H6R(79)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #717; RMG #717 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C7H14R(9)<=>C4H6R(79)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #718; RMG #718 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C6H12L(11)<=>C4H6R(79)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #719; RMG #719 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C8H16L(15)<=>C4H6R(79)+C8H17L(49) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #720; RMG #720 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C9H17LR(66)<=>C4H6R(79)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #721; RMG #721 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C9H17LR(67)<=>C4H6R(79)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #722; RMG #722 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C9H17LR(68)<=>C4H6R(79)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #723; RMG #723 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C4H6R(79), C4H7R(60); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6R(79)+RC10L(1)<=>C4H7R(60)+C9H17LR(69) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #724; RMG #724 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C9H17LR(70)<=>C4H6R(79)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #725; RMG #725 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C9H17LR(71)<=>C4H6R(79)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #726; RMG #726 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C4H6R(79), C4H7R(60); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6R(79)+RC10L(1)<=>C4H7R(60)+C9H17LR(72) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #727; RMG #727 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C9H17LR(73)<=>C4H6R(79)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #728; RMG #728 +! Template reaction: H_Abstraction +! Flux pairs: C4H6R(79), C4H7R(60); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C4H6R(79)<=>CH3(74)+C4H7R(60) 4.240000e-02 4.340 24.900 + +! Reaction index: Chemkin #729; RMG #729 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C10H20L(76)<=>C4H6R(79)+LC10(3) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #730; RMG #730 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); C4H6R(79), C4H7R(60); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6R(79)+C5H9L(57)<=>C4H7R(60)+C5H8L(77) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #731; RMG #731 +! Template reaction: H_Abstraction +! Flux pairs: C4H6R(79), C4H7R(60); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C4H6R(79)<=>C3H4R(78)+C4H7R(60) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #732; RMG #732 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H6R(79); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C4H7R(60)<=>C3H5R(58)+C4H6R(79) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #733; RMG #733 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(58); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C[CH]CR(10)<=>C3H5R(12)+C3H5R(58) 1.547940e+12 0.025 0.000 +DUPLICATE + +! Reaction index: Chemkin #734; RMG #734 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(58); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C[CH]CR(10)<=>C3H5R(12)+C3H5R(58) 1.225850e+27 -4.376 6.263 +DUPLICATE + +! Reaction index: Chemkin #735; RMG #735 +! Library reaction: restart +! Flux pairs: C4H6R(79), C[C]1CC1R(80); +! Estimated from node Backbone0 +C4H6R(79)<=>C[C]1CC1R(80) 1.014560e+05 2.304 30.041 + +! Reaction index: Chemkin #736; RMG #736 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C9H17LR(65)<=>C4H6R(79)+RC10L(1) 5.136920e-04 4.418 3.856 + +! Reaction index: Chemkin #737; RMG #737 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C9H17LR(69)<=>C4H6R(79)+RC10L(1) 5.136920e-04 4.418 3.856 + +! Reaction index: Chemkin #738; RMG #738 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C9H17LR(66)<=>C4H6R(79)+RC10L(1) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #739; RMG #739 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C9H17LR(68)<=>C4H6R(79)+RC10L(1) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #740; RMG #740 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C9H17LR(72)<=>C4H6R(79)+RC10L(1) 5.136920e-04 4.418 3.856 + +! Reaction index: Chemkin #741; RMG #741 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C9H17LR(73)<=>C4H6R(79)+RC10L(1) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #742; RMG #742 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C9H17LR(71)<=>C4H6R(79)+RC10L(1) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #743; RMG #743 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C9H17LR(67)<=>C4H6R(79)+RC10L(1) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #744; RMG #744 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C9H17LR(70)<=>C4H6R(79)+RC10L(1) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #745; RMG #745 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C10H20R(64)<=>C4H6R(79)+RC10(2) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #746; RMG #746 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C10H20L(76)<=>C4H6R(79)+LC10(3) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #747; RMG #747 +! Library reaction: restart +! Flux pairs: C4H6R(79), C4H7R(81); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C4H6R(79)<=>C3H5R(58)+C4H7R(81) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #748; RMG #748 +! Library reaction: restart +! Flux pairs: C4H6R(79), C4H7R(81); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C4H6R(79)<=>C3H5R(12)+C4H7R(81) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #749; RMG #749 +! Library reaction: restart +! Flux pairs: C4H6R(79), C4H7R(81); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C4H6R(79)<=>C2H3L(19)+C4H7R(81) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #750; RMG #750 +! Template reaction: H_Abstraction +! Flux pairs: C4H6R(79), C4H7R(81); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C4H6R(79)<=>C3H4R(78)+C4H7R(81) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #751; RMG #751 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(81), C4H6R(79); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C4H7R(81)<=>CC(C)L(13)+C4H6R(79) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #752; RMG #752 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C[CH]CC(C)L(7)<=>C4H6R(79)+CCCC(C)L(16) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #753; RMG #753 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+[CH2]C(C)CR(6)<=>C4H6R(79)+CC(C)CR(20) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #754; RMG #754 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(81), C4H6R(79); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]R(14)+C4H7R(81)<=>CR(22)+C4H6R(79) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #755; RMG #755 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C7H14R(9)<=>C4H6R(79)+CC(C)CC(C)CR(23) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #756; RMG #756 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C6H12L(11)<=>C4H6R(79)+CC(C)CC(C)L(25) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #757; RMG #757 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(81), C4H6R(79); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C[CH]L(8)+C4H7R(81)<=>CCL(26)+C4H6R(79) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #758; RMG #758 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(81), C4H6R(79); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C[CH]CR(10)+C4H7R(81)<=>CCCR(27)+C4H6R(79) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #759; RMG #759 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C[CH]CC(C)CR(5)<=>C4H6R(79)+CCCC(C)CR(32) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #760; RMG #760 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C8H16L(15)<=>C4H6R(79)+C8H17L(49) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #761; RMG #761 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6R(79)+C5H9L(57)<=>C4H7R(81)+C5H8L(77) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #762; RMG #762 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(81), C4H6R(79); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H4R(78)+C4H7R(81)<=>C3H5R(58)+C4H6R(79) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #763; RMG #763 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H7R(81); C4H6R(79), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C4H7R(60)<=>C4H6R(79)+C4H7R(81) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #764; RMG #764 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(81), C4H6R(79); CH3(74), C(75); +! Estimated using an average for rate rule [C/H3/Cd;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CH3(74)+C4H7R(81)<=>C(75)+C4H6R(79) 1.350560e-01 4.253 7.537 + +! Reaction index: Chemkin #765; RMG #765 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C[CH]CC(C)CR(5)<=>C4H7R(81)+C6H11R(17) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #766; RMG #766 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C8H16L(15)<=>C4H7R(81)+C8H15L(21) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #767; RMG #767 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C[CH]CC(C)L(7)<=>C4H7R(81)+C5H9L(24) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #768; RMG #768 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C[CH]CC(C)CR(5)<=>C4H7R(81)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #769; RMG #769 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C[CH]CC(C)L(7)<=>C4H7R(81)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #770; RMG #770 +! Library reaction: restart +! Flux pairs: C4H6R(79), C4H7R(81); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C4H6R(79)<=>C3H5L(59)+C4H7R(81) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #771; RMG #771 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H7R(81); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C4H6R(79)+[CH2]C(C)CR(6)<=>C4H7R(60)+C4H7R(81) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #772; RMG #772 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C8H16L(15)<=>C4H7R(81)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #773; RMG #773 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C4H6R(79)+C7H14R(9)<=>C4H7R(81)+C7H13R(62) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #774; RMG #774 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C4H6R(79)+C6H12L(11)<=>C4H7R(81)+C6H11L(63) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #775; RMG #775 +! Library reaction: restart +! Flux pairs: H(82), RC10L(1); C9H17LR(65), RC10L(1); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R +H(82)+C9H17LR(65)<=>RC10L(1) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #776; RMG #776 +! Library reaction: restart +! Flux pairs: H(82), RC10L(1); C9H17LR(69), RC10L(1); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R +H(82)+C9H17LR(69)<=>RC10L(1) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #777; RMG #777 +! Library reaction: restart +! Flux pairs: H(82), RC10L(1); C9H17LR(66), RC10L(1); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R +H(82)+C9H17LR(66)<=>RC10L(1) 1.766370e+13 0.153 0.000 + +! Reaction index: Chemkin #778; RMG #778 +! Library reaction: restart +! Flux pairs: H(82), RC10L(1); C9H17LR(68), RC10L(1); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R +H(82)+C9H17LR(68)<=>RC10L(1) 1.766370e+13 0.153 0.000 + +! Reaction index: Chemkin #779; RMG #779 +! Library reaction: restart +! Flux pairs: H(82), RC10L(1); C9H17LR(72), RC10L(1); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R +H(82)+C9H17LR(72)<=>RC10L(1) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #780; RMG #780 +! Library reaction: restart +! Flux pairs: H(82), RC10L(1); C9H17LR(73), RC10L(1); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- +! Sp-4R!H=3C_Sp-4R!H-3C +H(82)+C9H17LR(73)<=>RC10L(1) 9.174990e+13 0.115 0.000 + +! Reaction index: Chemkin #781; RMG #781 +! Library reaction: restart +! Flux pairs: H(82), RC10L(1); C9H17LR(71), RC10L(1); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- +! Sp-4R!H=3C_Sp-4R!H-3C +H(82)+C9H17LR(71)<=>RC10L(1) 9.174990e+13 0.115 0.000 + +! Reaction index: Chemkin #782; RMG #782 +! Library reaction: restart +! Flux pairs: H(82), RC10L(1); C9H17LR(67), RC10L(1); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R +H(82)+C9H17LR(67)<=>RC10L(1) 1.766370e+13 0.153 0.000 + +! Reaction index: Chemkin #783; RMG #783 +! Library reaction: restart +! Flux pairs: H(82), RC10L(1); C9H17LR(70), RC10L(1); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- +! Sp-4R!H=3C_Sp-4R!H-3C +H(82)+C9H17LR(70)<=>RC10L(1) 9.174990e+13 0.115 0.000 + +! Reaction index: Chemkin #784; RMG #784 +! Library reaction: restart +! Flux pairs: H(82), RC10(2); C10H20R(64), RC10(2); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R +H(82)+C10H20R(64)<=>RC10(2) 1.766370e+13 0.153 0.000 + +! Reaction index: Chemkin #785; RMG #785 +! Library reaction: restart +! Flux pairs: H(82), LC10(3); C10H20L(76), LC10(3); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R +H(82)+C10H20L(76)<=>LC10(3) 1.766370e+13 0.153 0.000 + +! Reaction index: Chemkin #786; RMG #786 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C[CH]CC(C)CR(5); C6H11R(56), C[CH]CC(C)CR(5); +! From training reaction 2935 used for Cds-CsH_Cds-CsH;HJ +! Exact match found for rate rule [Cds-CsH_Cds-CsH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C6H11R(56)<=>C[CH]CC(C)CR(5) 8.892000e+09 1.073 2.175 + +! Reaction index: Chemkin #787; RMG #787 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C[CH]CC(C)CR(5); C6H11R(17), C[CH]CC(C)CR(5); +! From training reaction 9 used for Cds-HH_Cds-CsH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C6H11R(17)<=>C[CH]CC(C)CR(5) 3.360000e+08 1.560 0.600 + +! Reaction index: Chemkin #788; RMG #788 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), [CH2]C(C)L(4); C3H5L(59), [CH2]C(C)L(4); +! From training reaction 102 used for Cds-CsCs_Cds-HH;HJ +! Exact match found for rate rule [Cds-CsCs_Cds-HH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C3H5L(59)<=>[CH2]C(C)L(4) 5.075180e+03 2.822 -1.156 + +! Reaction index: Chemkin #789; RMG #789 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), [CH2]C(C)CR(6); C4H7R(60), [CH2]C(C)CR(6); +! From training reaction 102 used for Cds-CsCs_Cds-HH;HJ +! Exact match found for rate rule [Cds-CsCs_Cds-HH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C4H7R(60)<=>[CH2]C(C)CR(6) 5.075180e+03 2.822 -1.156 + +! Reaction index: Chemkin #790; RMG #790 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C[CH]CC(C)L(7); C5H9L(57), C[CH]CC(C)L(7); +! From training reaction 2935 used for Cds-CsH_Cds-CsH;HJ +! Exact match found for rate rule [Cds-CsH_Cds-CsH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C5H9L(57)<=>C[CH]CC(C)L(7) 8.892000e+09 1.073 2.175 + +! Reaction index: Chemkin #791; RMG #791 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C[CH]CC(C)L(7); C5H9L(24), C[CH]CC(C)L(7); +! From training reaction 9 used for Cds-HH_Cds-CsH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C5H9L(24)<=>C[CH]CC(C)L(7) 3.360000e+08 1.560 0.600 + +! Reaction index: Chemkin #792; RMG #792 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C7H14R(9); C7H13R(62), C7H14R(9); +! From training reaction 102 used for Cds-CsCs_Cds-HH;HJ +! Exact match found for rate rule [Cds-CsCs_Cds-HH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C7H13R(62)<=>C7H14R(9) 5.075180e+03 2.822 -1.156 + +! Reaction index: Chemkin #793; RMG #793 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C[CH]L(8); C2H3L(19), C[CH]L(8); +! From training reaction 9 used for Cds-HH_Cds-CsH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C2H3L(19)<=>C[CH]L(8) 3.360000e+08 1.560 0.600 + +! Reaction index: Chemkin #794; RMG #794 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C[CH]CR(10); C3H5R(58), C[CH]CR(10); +! From training reaction 2935 used for Cds-CsH_Cds-CsH;HJ +! Exact match found for rate rule [Cds-CsH_Cds-CsH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C3H5R(58)<=>C[CH]CR(10) 8.892000e+09 1.073 2.175 + +! Reaction index: Chemkin #795; RMG #795 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C[CH]CR(10); C3H5R(12), C[CH]CR(10); +! From training reaction 9 used for Cds-HH_Cds-CsH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C3H5R(12)<=>C[CH]CR(10) 3.360000e+08 1.560 0.600 + +! Reaction index: Chemkin #796; RMG #796 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C6H12L(11); C6H11L(63), C6H12L(11); +! From training reaction 102 used for Cds-CsCs_Cds-HH;HJ +! Exact match found for rate rule [Cds-CsCs_Cds-HH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C6H11L(63)<=>C6H12L(11) 5.075180e+03 2.822 -1.156 + +! Reaction index: Chemkin #797; RMG #797 +! Library reaction: restart +! Flux pairs: H(82), C3H5R(12); C3H4R(78), C3H5R(12); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R +H(82)+C3H4R(78)<=>C3H5R(12) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #798; RMG #798 +! Library reaction: restart +! Flux pairs: H(82), CC(C)L(13); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- +! Sp-4R!H=3C_Sp-4R!H-3C +H(82)+[CH2]C(C)L(4)<=>CC(C)L(13) 9.174990e+13 0.115 0.000 + +! Reaction index: Chemkin #799; RMG #799 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C8H16L(15); C8H15L(61), C8H16L(15); +! From training reaction 2935 used for Cds-CsH_Cds-CsH;HJ +! Exact match found for rate rule [Cds-CsH_Cds-CsH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C8H15L(61)<=>C8H16L(15) 8.892000e+09 1.073 2.175 + +! Reaction index: Chemkin #800; RMG #800 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C8H16L(15); C8H15L(21), C8H16L(15); +! From training reaction 9 used for Cds-HH_Cds-CsH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C8H15L(21)<=>C8H16L(15) 3.360000e+08 1.560 0.600 + +! Reaction index: Chemkin #801; RMG #801 +! Library reaction: restart +! Flux pairs: H(82), CCCC(C)L(16); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R +H(82)+C[CH]CC(C)L(7)<=>CCCC(C)L(16) 1.766370e+13 0.153 0.000 + +! Reaction index: Chemkin #802; RMG #802 +! Library reaction: restart +! Flux pairs: H(82), CC(C)CR(20); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- +! Sp-4R!H=3C_Sp-4R!H-3C +H(82)+[CH2]C(C)CR(6)<=>CC(C)CR(20) 9.174990e+13 0.115 0.000 + +! Reaction index: Chemkin #803; RMG #803 +! Library reaction: restart +! Flux pairs: H(82), CR(22); [CH2]R(14), CR(22); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- +! Sp-4R!H=3C_Sp-4R!H-3C +H(82)+[CH2]R(14)<=>CR(22) 9.174990e+13 0.115 0.000 + +! Reaction index: Chemkin #804; RMG #804 +! Library reaction: restart +! Flux pairs: H(82), CC(C)CC(C)CR(23); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- +! Sp-4R!H=3C_Sp-4R!H-3C +H(82)+C7H14R(9)<=>CC(C)CC(C)CR(23) 9.174990e+13 0.115 0.000 + +! Reaction index: Chemkin #805; RMG #805 +! Library reaction: restart +! Flux pairs: H(82), CC(C)CC(C)L(25); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- +! Sp-4R!H=3C_Sp-4R!H-3C +H(82)+C6H12L(11)<=>CC(C)CC(C)L(25) 9.174990e+13 0.115 0.000 + +! Reaction index: Chemkin #806; RMG #806 +! Library reaction: restart +! Flux pairs: H(82), CCL(26); C[CH]L(8), CCL(26); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R +H(82)+C[CH]L(8)<=>CCL(26) 1.766370e+13 0.153 0.000 + +! Reaction index: Chemkin #807; RMG #807 +! Library reaction: restart +! Flux pairs: H(82), CCCR(27); C[CH]CR(10), CCCR(27); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R +H(82)+C[CH]CR(10)<=>CCCR(27) 1.766370e+13 0.153 0.000 + +! Reaction index: Chemkin #808; RMG #808 +! Library reaction: restart +! Flux pairs: H(82), CCCC(C)CR(32); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R +H(82)+C[CH]CC(C)CR(5)<=>CCCC(C)CR(32) 1.766370e+13 0.153 0.000 + +! Reaction index: Chemkin #809; RMG #809 +! Library reaction: restart +! Flux pairs: H(82), C8H17L(49); C8H16L(15), C8H17L(49); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R +H(82)+C8H16L(15)<=>C8H17L(49) 1.766370e+13 0.153 0.000 + +! Reaction index: Chemkin #810; RMG #810 +! Library reaction: restart +! Flux pairs: H(82), C5H9L(57); C5H8L(77), C5H9L(57); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R_Ext-5R!H-R_Ext-3R!H-R +H(82)+C5H8L(77)<=>C5H9L(57) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #811; RMG #811 +! Library reaction: restart +! Flux pairs: H(82), C3H5R(58); C3H4R(78), C3H5R(58); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- +! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing +H(82)+C3H4R(78)<=>C3H5R(58) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #812; RMG #812 +! Library reaction: restart +! Flux pairs: H(82), C4H7R(60); C4H6R(79), C4H7R(60); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R +H(82)+C4H6R(79)<=>C4H7R(60) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #813; RMG #813 +! Template reaction: R_Recombination +! Flux pairs: H(82), C(75); CH3(74), C(75); +! Matched reaction 57 H + CH3 <=> CH4 in R_Recombination/training +! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_N-2CNO->O] +! family: R_Recombination +H(82)+CH3(74)<=>C(75) 1.930000e+14 0.000 0.270 + +! Reaction index: Chemkin #814; RMG #814 +! Library reaction: restart +! Flux pairs: H(82), C4H7R(81); C4H6R(79), C4H7R(81); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- +! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing +H(82)+C4H6R(79)<=>C4H7R(81) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #815; RMG #815 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); H(82), [H][H](83); +! From training reaction 952 used for C/H/Cs3;H_rad +! Exact match found for rate rule [C/H/Cs3;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(65) 4.760000e-01 4.340 2.000 + +! Reaction index: Chemkin #816; RMG #816 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); H(82), [H][H](83); +! From training reaction 952 used for C/H/Cs3;H_rad +! Exact match found for rate rule [C/H/Cs3;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(69) 4.760000e-01 4.340 2.000 + +! Reaction index: Chemkin #817; RMG #817 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(66); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(66) 6.382500e+01 3.680 4.700 + +! Reaction index: Chemkin #818; RMG #818 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(68); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(68) 6.382500e+01 3.680 4.700 + +! Reaction index: Chemkin #819; RMG #819 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); H(82), [H][H](83); +! From training reaction 952 used for C/H/Cs3;H_rad +! Exact match found for rate rule [C/H/Cs3;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(72) 4.760000e-01 4.340 2.000 + +! Reaction index: Chemkin #820; RMG #820 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(73); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(73) 5.670000e+06 2.210 7.500 + +! Reaction index: Chemkin #821; RMG #821 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(71); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(71) 5.670000e+06 2.210 7.500 + +! Reaction index: Chemkin #822; RMG #822 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(67); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(67) 6.382500e+01 3.680 4.700 + +! Reaction index: Chemkin #823; RMG #823 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(70); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(70) 5.670000e+06 2.210 7.500 + +! Reaction index: Chemkin #824; RMG #824 +! Template reaction: H_Abstraction +! Flux pairs: RC10(2), C10H20R(64); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(82)+RC10(2)<=>[H][H](83)+C10H20R(64) 6.382500e+01 3.680 4.700 + +! Reaction index: Chemkin #825; RMG #825 +! Template reaction: H_Abstraction +! Flux pairs: LC10(3), C10H20L(76); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(82)+LC10(3)<=>[H][H](83)+C10H20L(76) 6.382500e+01 3.680 4.700 + +! Reaction index: Chemkin #826; RMG #826 +! Template reaction: H_Abstraction +! Flux pairs: C3H4R(78), C3H5R(12); [H][H](83), H(82); +! From training reaction 790 used for H2;C_rad/H/CdCs +! Exact match found for rate rule [H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[H][H](83)+C3H4R(78)<=>H(82)+C3H5R(12) 4.580000e-02 4.340 22.200 + +! Reaction index: Chemkin #827; RMG #827 +! Template reaction: H_Abstraction +! Flux pairs: CR(22), [CH2]R(14); H(82), [H][H](83); +! Estimated using average of templates [C/H3/Cs\OneNonDe;H_rad] + [C/H3/Cs\H2\Cs;Y_rad] for rate rule [C/H3/Cs\H2\Cs;H_rad] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +H(82)+CR(22)<=>[H][H](83)+[CH2]R(14) 8.319120e+03 2.718 6.496 + +! Reaction index: Chemkin #828; RMG #828 +! Template reaction: H_Abstraction +! Flux pairs: CCL(26), C[CH]L(8); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(82)+CCL(26)<=>[H][H](83)+C[CH]L(8) 6.382500e+01 3.680 4.700 + +! Reaction index: Chemkin #829; RMG #829 +! Template reaction: H_Abstraction +! Flux pairs: CCCR(27), C[CH]CR(10); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(82)+CCCR(27)<=>[H][H](83)+C[CH]CR(10) 6.382500e+01 3.680 4.700 + +! Reaction index: Chemkin #830; RMG #830 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); H(82), [H][H](83); +! From training reaction 1081 used for C/H/Cs2Cd;H_rad +! Exact match found for rate rule [C/H/Cs2Cd;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(82)+C5H9L(57)<=>[H][H](83)+C5H8L(77) 2.480000e-01 4.340 0.100 + +! Reaction index: Chemkin #831; RMG #831 +! Template reaction: H_Abstraction +! Flux pairs: C3H5R(58), C3H4R(78); H(82), [H][H](83); +! From training reaction 756 used for C/H3/Cd\H_Cd\H\Cs;H_rad +! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +H(82)+C3H5R(58)<=>[H][H](83)+C3H4R(78) 3.360000e+03 3.140 4.290 + +! Reaction index: Chemkin #832; RMG #832 +! Template reaction: H_Abstraction +! Flux pairs: C4H6R(79), C4H7R(60); [H][H](83), H(82); +! From training reaction 790 used for H2;C_rad/H/CdCs +! Exact match found for rate rule [H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[H][H](83)+C4H6R(79)<=>H(82)+C4H7R(60) 4.580000e-02 4.340 22.200 + +! Reaction index: Chemkin #833; RMG #833 +! Template reaction: H_Abstraction +! Flux pairs: C(75), CH3(74); H(82), [H][H](83); +! Matched reaction 186 CH4b + H <=> CH3_p1 + H2_p in H_Abstraction/training +! This reaction matched rate rule [C_methane;H_rad] +! family: H_Abstraction +H(82)+C(75)<=>[H][H](83)+CH3(74) 4.100000e+03 3.156 8.755 + +! Reaction index: Chemkin #834; RMG #834 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(81), C4H6R(79); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H3/Cd;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +H(82)+C4H7R(81)<=>[H][H](83)+C4H6R(79) 6.100680e+03 3.153 4.317 + +! Reaction index: Chemkin #835; RMG #835 +! Template reaction: R_Recombination +! Flux pairs: H(82), [H][H](83); H(82), [H][H](83); +! Matched reaction 56 H + H <=> H2 in R_Recombination/training +! This reaction matched rate rule [Root_1R->H_N-2R->S_2CHNO->H] +! family: R_Recombination +H(82)+H(82)<=>[H][H](83) 5.450000e+10 0.000 1.500 + +! Reaction index: Chemkin #836; RMG #836 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CR(20), [CH2]C(C)CR(6); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +H(82)+CC(C)CR(20)<=>[H][H](83)+[CH2]C(C)CR(6) 1.134000e+07 2.210 7.500 + +! Reaction index: Chemkin #837; RMG #837 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(82)+CCCC(C)CR(32)<=>[H][H](83)+C[CH]CC(C)CR(5) 6.382500e+01 3.680 4.700 + +! Reaction index: Chemkin #838; RMG #838 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)L(13), [CH2]C(C)L(4); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +H(82)+CC(C)L(13)<=>[H][H](83)+[CH2]C(C)L(4) 1.134000e+07 2.210 7.500 + +! Reaction index: Chemkin #839; RMG #839 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)CR(23), C7H14R(9); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +H(82)+CC(C)CC(C)CR(23)<=>[H][H](83)+C7H14R(9) 1.134000e+07 2.210 7.500 + +! Reaction index: Chemkin #840; RMG #840 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)L(16), C[CH]CC(C)L(7); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(82)+CCCC(C)L(16)<=>[H][H](83)+C[CH]CC(C)L(7) 6.382500e+01 3.680 4.700 + +! Reaction index: Chemkin #841; RMG #841 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)L(25), C6H12L(11); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +H(82)+CC(C)CC(C)L(25)<=>[H][H](83)+C6H12L(11) 1.134000e+07 2.210 7.500 + +! Reaction index: Chemkin #842; RMG #842 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(12); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C[CH]CR(10)<=>[H][H](83)+C3H5R(12) 1.225850e+27 -4.376 3.356 + +! Reaction index: Chemkin #843; RMG #843 +! Template reaction: H_Abstraction +! Flux pairs: C8H17L(49), C8H16L(15); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(82)+C8H17L(49)<=>[H][H](83)+C8H16L(15) 6.382500e+01 3.680 4.700 + +! Reaction index: Chemkin #844; RMG #844 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C[CH]CC(C)CR(5)<=>[H][H](83)+C6H11R(17) 1.225850e+27 -4.376 3.239 + +! Reaction index: Chemkin #845; RMG #845 +! Library reaction: restart +! Flux pairs: C[CH]L(8), C2H3L(19); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C[CH]L(8)<=>[H][H](83)+C2H3L(19) 1.225850e+27 -4.376 3.356 + +! Reaction index: Chemkin #846; RMG #846 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C8H16L(15)<=>[H][H](83)+C8H15L(21) 1.225850e+27 -4.376 3.239 + +! Reaction index: Chemkin #847; RMG #847 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C[CH]CC(C)L(7)<=>[H][H](83)+C5H9L(24) 1.225850e+27 -4.376 3.239 + +! Reaction index: Chemkin #848; RMG #848 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C[CH]CC(C)CR(5)<=>[H][H](83)+C6H11R(56) 1.191690e+10 0.568 0.000 + +! Reaction index: Chemkin #849; RMG #849 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C[CH]CC(C)L(7)<=>[H][H](83)+C5H9L(57) 1.191690e+10 0.568 0.000 + +! Reaction index: Chemkin #850; RMG #850 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(58); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C[CH]CR(10)<=>[H][H](83)+C3H5R(58) 1.191690e+10 0.568 0.000 + +! Reaction index: Chemkin #851; RMG #851 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), C3H5L(59); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C +H(82)+[CH2]C(C)L(4)<=>[H][H](83)+C3H5L(59) 4.559710e+12 -0.222 0.000 +DUPLICATE + +! Reaction index: Chemkin #852; RMG #852 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), C3H5L(59); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H +H(82)+[CH2]C(C)L(4)<=>[H][H](83)+C3H5L(59) 9.040000e+11 0.000 0.000 +DUPLICATE + +! Reaction index: Chemkin #853; RMG #853 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C +H(82)+[CH2]C(C)CR(6)<=>[H][H](83)+C4H7R(60) 4.559710e+12 -0.222 0.000 +DUPLICATE + +! Reaction index: Chemkin #854; RMG #854 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H +H(82)+[CH2]C(C)CR(6)<=>[H][H](83)+C4H7R(60) 9.040000e+11 0.000 0.000 +DUPLICATE + +! Reaction index: Chemkin #855; RMG #855 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C8H16L(15)<=>[H][H](83)+C8H15L(61) 1.191690e+10 0.568 0.000 + +! Reaction index: Chemkin #856; RMG #856 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C +H(82)+C7H14R(9)<=>[H][H](83)+C7H13R(62) 4.559710e+12 -0.222 0.000 +DUPLICATE + +! Reaction index: Chemkin #857; RMG #857 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H +H(82)+C7H14R(9)<=>[H][H](83)+C7H13R(62) 9.040000e+11 0.000 0.000 +DUPLICATE + +! Reaction index: Chemkin #858; RMG #858 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C +H(82)+C6H12L(11)<=>[H][H](83)+C6H11L(63) 4.559710e+12 -0.222 0.000 +DUPLICATE + +! Reaction index: Chemkin #859; RMG #859 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H +H(82)+C6H12L(11)<=>[H][H](83)+C6H11L(63) 9.040000e+11 0.000 0.000 +DUPLICATE + +! Reaction index: Chemkin #860; RMG #860 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C5H8L(77), C5H9L(84); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(77)+RC10L(1)<=>C5H9L(84)+C9H17LR(65) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #861; RMG #861 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C5H8L(77), C5H9L(84); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(77)+RC10L(1)<=>C5H9L(84)+C9H17LR(69) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #862; RMG #862 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C9H17LR(66)<=>C5H8L(77)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #863; RMG #863 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C9H17LR(68)<=>C5H8L(77)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #864; RMG #864 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C5H8L(77), C5H9L(84); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(77)+RC10L(1)<=>C5H9L(84)+C9H17LR(72) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #865; RMG #865 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C9H17LR(73)<=>C5H8L(77)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #866; RMG #866 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C9H17LR(71)<=>C5H8L(77)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #867; RMG #867 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C9H17LR(67)<=>C5H8L(77)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #868; RMG #868 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C9H17LR(70)<=>C5H8L(77)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #869; RMG #869 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C10H20R(64)<=>C5H8L(77)+RC10(2) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #870; RMG #870 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C10H20L(76)<=>C5H8L(77)+LC10(3) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #871; RMG #871 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(84); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C5H8L(77)<=>C3H5R(58)+C5H9L(84) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #872; RMG #872 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(84); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C5H8L(77)<=>C3H5R(12)+C5H9L(84) 1.225850e+27 -4.376 7.038 + +! Reaction index: Chemkin #873; RMG #873 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(84); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C5H8L(77)<=>C2H3L(19)+C5H9L(84) 1.225850e+27 -4.376 7.038 + +! Reaction index: Chemkin #874; RMG #874 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(77), C5H9L(84); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C5H8L(77)<=>C3H4R(78)+C5H9L(84) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #875; RMG #875 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(84), C5H8L(77); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C5H9L(84)<=>CC(C)L(13)+C5H8L(77) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #876; RMG #876 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C[CH]CC(C)L(7)<=>C5H8L(77)+CCCC(C)L(16) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #877; RMG #877 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(84), C5H8L(77); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C5H9L(84)<=>CC(C)CR(20)+C5H8L(77) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #878; RMG #878 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(84), C5H8L(77); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C5H9L(84)<=>CR(22)+C5H8L(77) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #879; RMG #879 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C7H14R(9)<=>C5H8L(77)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #880; RMG #880 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C6H12L(11)<=>C5H8L(77)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #881; RMG #881 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(84), C5H8L(77); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C5H9L(84)<=>CCL(26)+C5H8L(77) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #882; RMG #882 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(84), C5H8L(77); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C5H9L(84)<=>CCCR(27)+C5H8L(77) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #883; RMG #883 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C[CH]CC(C)CR(5)<=>C5H8L(77)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #884; RMG #884 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C8H16L(15)<=>C5H8L(77)+C8H17L(49) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #885; RMG #885 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H9L(84); C5H8L(77), C5H8L(77); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(77)+C5H9L(57)<=>C5H8L(77)+C5H9L(84) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #886; RMG #886 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(84), C5H8L(77); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C5H9L(84)<=>C3H5R(58)+C5H8L(77) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #887; RMG #887 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(77), C5H9L(84); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C5H8L(77)<=>C4H6R(79)+C5H9L(84) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #888; RMG #888 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(77), C5H9L(84); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C5H8L(77)<=>CH3(74)+C5H9L(84) 4.240000e-02 4.340 24.900 + +! Reaction index: Chemkin #889; RMG #889 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(84), C5H8L(77); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C5H9L(84)<=>C4H7R(81)+C5H8L(77) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #890; RMG #890 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(77), C5H9L(84); [H][H](83), H(82); +! From training reaction 790 used for H2;C_rad/H/CdCs +! Exact match found for rate rule [H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[H][H](83)+C5H8L(77)<=>H(82)+C5H9L(84) 4.580000e-02 4.340 22.200 + +! Reaction index: Chemkin #891; RMG #891 +! Library reaction: restart +! Flux pairs: H(82), C5H9L(84); C5H8L(77), C5H9L(84); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R +H(82)+C5H8L(77)<=>C5H9L(84) 1.803320e+13 0.128 0.000 + +! Reaction index: Chemkin #892; RMG #892 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C[CH]CC(C)CR(5)<=>C5H9L(84)+C6H11R(17) 1.225850e+27 -4.376 6.853 + +! Reaction index: Chemkin #893; RMG #893 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C8H16L(15)<=>C5H9L(84)+C8H15L(21) 1.225850e+27 -4.376 6.853 + +! Reaction index: Chemkin #894; RMG #894 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(84); C5H8L(77), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C[CH]CC(C)L(7)<=>C5H9L(24)+C5H9L(84) 1.225850e+27 -4.376 6.853 + +! Reaction index: Chemkin #895; RMG #895 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C[CH]CC(C)CR(5)<=>C5H9L(84)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #896; RMG #896 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(84); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C[CH]CC(C)L(7)<=>C5H9L(57)+C5H9L(84) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #897; RMG #897 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(84); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C5H8L(77)<=>C3H5L(59)+C5H9L(84) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #898; RMG #898 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(84); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C5H8L(77)<=>C4H7R(60)+C5H9L(84) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #899; RMG #899 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C8H16L(15)<=>C5H9L(84)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #900; RMG #900 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(77)+C7H14R(9)<=>C5H9L(84)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #901; RMG #901 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(77)+C6H12L(11)<=>C5H9L(84)+C6H11L(63) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #902; RMG #902 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), RC10(2); C7H15(85), RC10(2); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]CR(10)+C7H15(85)<=>RC10(2) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #903; RMG #903 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5R(58), C10H20R(64); C7H15(85), C10H20R(64); +! From training reaction 436 used for Cds-CsH_Cds-CsH;CsJ-CsHH +! Exact match found for rate rule [Cds-CsH_Cds-CsH;CsJ-CsHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H5R(58)+C7H15(85)<=>C10H20R(64) 1.020000e+03 2.410 6.230 + +! Reaction index: Chemkin #904; RMG #904 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5L(86), C10H20L(76); C7H15(85), C10H20L(76); +! From training reaction 436 used for Cds-CsH_Cds-CsH;CsJ-CsHH +! Exact match found for rate rule [Cds-CsH_Cds-CsH;CsJ-CsHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H5L(86)+C7H15(85)<=>C10H20L(76) 1.020000e+03 2.410 6.230 + +! Reaction index: Chemkin #905; RMG #905 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C7H15(85), CC(C)CC(C)C(87); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H15(85)+RC10L(1)<=>CC(C)CC(C)C(87)+C9H17LR(65) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #906; RMG #906 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C7H15(85), CC(C)CC(C)C(87); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H15(85)+RC10L(1)<=>CC(C)CC(C)C(87)+C9H17LR(69) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #907; RMG #907 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(66); C7H15(85), CC(C)CC(C)C(87); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H15(85)+RC10L(1)<=>CC(C)CC(C)C(87)+C9H17LR(66) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #908; RMG #908 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(68); C7H15(85), CC(C)CC(C)C(87); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H15(85)+RC10L(1)<=>CC(C)CC(C)C(87)+C9H17LR(68) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #909; RMG #909 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C7H15(85), CC(C)CC(C)C(87); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H15(85)+RC10L(1)<=>CC(C)CC(C)C(87)+C9H17LR(72) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #910; RMG #910 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); CC(C)CC(C)C(87), C7H15(85); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +CC(C)CC(C)C(87)+C9H17LR(73)<=>C7H15(85)+RC10L(1) 6.521200e-04 4.810 8.490 + +! Reaction index: Chemkin #911; RMG #911 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); CC(C)CC(C)C(87), C7H15(85); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +CC(C)CC(C)C(87)+C9H17LR(71)<=>C7H15(85)+RC10L(1) 6.521200e-04 4.810 8.490 + +! Reaction index: Chemkin #912; RMG #912 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(67); C7H15(85), CC(C)CC(C)C(87); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H15(85)+RC10L(1)<=>CC(C)CC(C)C(87)+C9H17LR(67) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #913; RMG #913 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); CC(C)CC(C)C(87), C7H15(85); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +CC(C)CC(C)C(87)+C9H17LR(70)<=>C7H15(85)+RC10L(1) 6.521200e-04 4.810 8.490 + +! Reaction index: Chemkin #914; RMG #914 +! Template reaction: H_Abstraction +! Flux pairs: RC10(2), C10H20R(64); C7H15(85), CC(C)CC(C)C(87); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H15(85)+RC10(2)<=>CC(C)CC(C)C(87)+C10H20R(64) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #915; RMG #915 +! Template reaction: H_Abstraction +! Flux pairs: LC10(3), C10H20L(76); C7H15(85), CC(C)CC(C)C(87); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H15(85)+LC10(3)<=>CC(C)CC(C)C(87)+C10H20L(76) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #916; RMG #916 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C7H15(85)<=>C3H4R(78)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #917; RMG #917 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)C(87), C7H15(85); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +[CH2]C(C)L(4)+CC(C)CC(C)C(87)<=>CC(C)L(13)+C7H15(85) 6.521200e-04 4.810 8.490 + +! Reaction index: Chemkin #918; RMG #918 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); CCCC(C)L(16), C[CH]CC(C)L(7); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)L(16)+C7H15(85)<=>C[CH]CC(C)L(7)+CC(C)CC(C)C(87) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #919; RMG #919 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)C(87), C7H15(85); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+CC(C)CC(C)C(87)<=>CC(C)CR(20)+C7H15(85) 6.521200e-04 4.810 8.490 + +! Reaction index: Chemkin #920; RMG #920 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)C(87), C7H15(85); [CH2]R(14), CR(22); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +[CH2]R(14)+CC(C)CC(C)C(87)<=>CR(22)+C7H15(85) 6.521200e-04 4.810 8.490 + +! Reaction index: Chemkin #921; RMG #921 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)C(87), C7H15(85); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +C7H14R(9)+CC(C)CC(C)C(87)<=>CC(C)CC(C)CR(23)+C7H15(85) 6.521200e-04 4.810 8.490 + +! Reaction index: Chemkin #922; RMG #922 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)C(87), C7H15(85); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +C6H12L(11)+CC(C)CC(C)C(87)<=>CC(C)CC(C)L(25)+C7H15(85) 6.521200e-04 4.810 8.490 + +! Reaction index: Chemkin #923; RMG #923 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); CCL(26), C[CH]L(8); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCL(26)+C7H15(85)<=>C[CH]L(8)+CC(C)CC(C)C(87) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #924; RMG #924 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); CCCR(27), C[CH]CR(10); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCR(27)+C7H15(85)<=>C[CH]CR(10)+CC(C)CC(C)C(87) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #925; RMG #925 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); CCCC(C)CR(32), C[CH]CC(C)CR(5); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCC(C)CR(32)+C7H15(85)<=>C[CH]CC(C)CR(5)+CC(C)CC(C)C(87) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #926; RMG #926 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H9L(57), C5H8L(77); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C7H15(85)<=>C5H8L(77)+CC(C)CC(C)C(87) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #927; RMG #927 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+C7H15(85)<=>C3H4R(78)+CC(C)CC(C)C(87) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #928; RMG #928 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C7H15(85)<=>C4H6R(79)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #929; RMG #929 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)C(87), C7H15(85); CH3(74), C(75); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +CH3(74)+CC(C)CC(C)C(87)<=>C(75)+C7H15(85) 5.676000e+00 3.600 11.050 + +! Reaction index: Chemkin #930; RMG #930 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C7H15(85)<=>C4H6R(79)+CC(C)CC(C)C(87) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #931; RMG #931 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)C(87), C7H15(85); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +H(82)+CC(C)CC(C)C(87)<=>[H][H](83)+C7H15(85) 2.268000e+07 2.210 7.500 + +! Reaction index: Chemkin #932; RMG #932 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C7H15(85)<=>C5H8L(77)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #933; RMG #933 +! Template reaction: H_Abstraction +! Flux pairs: C8H17L(49), C8H16L(15); C7H15(85), CC(C)CC(C)C(87); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H15(85)+C8H17L(49)<=>CC(C)CC(C)C(87)+C8H16L(15) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #934; RMG #934 +! Library reaction: restart +! Flux pairs: H(82), CC(C)CC(C)C(87); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- +! Sp-4R!H=3C_Sp-4R!H-3C +H(82)+C7H15(85)<=>CC(C)CC(C)C(87) 9.174990e+13 0.115 0.000 + +! Reaction index: Chemkin #935; RMG #935 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C7H15(85)<=>C3H5R(12)+CC(C)CC(C)C(87) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #936; RMG #936 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C7H15(85)<=>C6H11R(17)+CC(C)CC(C)C(87) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #937; RMG #937 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C7H15(85)<=>C2H3L(19)+CC(C)CC(C)C(87) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #938; RMG #938 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H15(85)+C8H16L(15)<=>CC(C)CC(C)C(87)+C8H15L(21) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #939; RMG #939 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C7H15(85)<=>C5H9L(24)+CC(C)CC(C)C(87) 1.225850e+27 -4.376 3.707 + +! Reaction index: Chemkin #940; RMG #940 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C7H15(85)<=>C6H11R(56)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #941; RMG #941 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C7H15(85)<=>C5H9L(57)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #942; RMG #942 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C7H15(85)<=>C3H5R(58)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #943; RMG #943 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C7H15(85)<=>C3H5L(59)+CC(C)CC(C)C(87) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #944; RMG #944 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+C7H15(85)<=>C4H7R(60)+CC(C)CC(C)C(87) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #945; RMG #945 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H15(85)+C8H16L(15)<=>CC(C)CC(C)C(87)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #946; RMG #946 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C7H14R(9)+C7H15(85)<=>C7H13R(62)+CC(C)CC(C)C(87) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #947; RMG #947 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H12L(11)+C7H15(85)<=>C6H11L(63)+CC(C)CC(C)C(87) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #948; RMG #948 +! Library reaction: restart +! Flux pairs: C3H4R(78), RC1[CH]C1(88); +! Estimated from node Backbone0 +C3H4R(78)<=>RC1[CH]C1(88) 1.014560e+05 2.304 35.490 + +! Reaction index: Chemkin #949; RMG #949 +! Library reaction: restart +! Flux pairs: H(82), C5H9L(24); C5H8L(89), C5H9L(24); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R +H(82)+C5H8L(89)<=>C5H9L(24) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #950; RMG #950 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(24); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C5H8L(89)<=>C3H5R(12)+C5H9L(24) 1.225850e+27 -4.376 7.050 + +! Reaction index: Chemkin #951; RMG #951 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(24); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C5H8L(89)<=>C2H3L(19)+C5H9L(24) 1.225850e+27 -4.376 7.050 + +! Reaction index: Chemkin #952; RMG #952 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(24), C5H8L(89); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C5H9L(24)<=>CC(C)CR(20)+C5H8L(89) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #953; RMG #953 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(24), C5H8L(89); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C5H9L(24)<=>CCCR(27)+C5H8L(89) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #954; RMG #954 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C[CH]CC(C)CR(5)<=>C5H8L(89)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #955; RMG #955 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(24), C5H8L(89); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C5H9L(24)<=>CC(C)L(13)+C5H8L(89) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #956; RMG #956 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C7H14R(9)<=>C5H8L(89)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #957; RMG #957 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C[CH]CC(C)L(7)<=>C5H8L(89)+CCCC(C)L(16) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #958; RMG #958 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(24), C5H8L(89); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C5H9L(24)<=>CCL(26)+C5H8L(89) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #959; RMG #959 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C6H12L(11)<=>C5H8L(89)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #960; RMG #960 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(24), C5H8L(89); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C5H9L(24)<=>CR(22)+C5H8L(89) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #961; RMG #961 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C[CH]CC(C)CR(5)<=>C5H9L(24)+C6H11R(17) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #962; RMG #962 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C8H16L(15)<=>C5H9L(24)+C8H15L(21) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #963; RMG #963 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C[CH]CC(C)L(7)<=>C5H9L(24)+C5H9L(24) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #964; RMG #964 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C8H16L(15)<=>C5H8L(89)+C8H17L(49) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #965; RMG #965 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C[CH]CC(C)CR(5)<=>C5H9L(24)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #966; RMG #966 +! Library reaction: restart +! Flux pairs: H(82), C5H9L(57); C5H8L(89), C5H9L(57); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- +! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing +H(82)+C5H8L(89)<=>C5H9L(57) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #967; RMG #967 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(89); C[CH]CR(10), CCCR(27); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]CR(10)+C5H9L(57)<=>CCCR(27)+C5H8L(89) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #968; RMG #968 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(89); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C5H9L(57)<=>CC(C)L(13)+C5H8L(89) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #969; RMG #969 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(89); C[CH]L(8), CCL(26); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]L(8)+C5H9L(57)<=>CCL(26)+C5H8L(89) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #970; RMG #970 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(57); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C5H8L(89)<=>C3H5R(12)+C5H9L(57) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #971; RMG #971 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(89); [CH2]R(14), CR(22); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]R(14)+C5H9L(57)<=>CR(22)+C5H8L(89) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #972; RMG #972 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C[CH]CC(C)CR(5)<=>C5H9L(57)+C6H11R(17) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #973; RMG #973 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(57); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C5H8L(89)<=>C2H3L(19)+C5H9L(57) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #974; RMG #974 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C8H16L(15)<=>C5H9L(57)+C8H15L(21) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #975; RMG #975 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C[CH]CC(C)L(7)<=>C5H9L(24)+C5H9L(57) 1.547940e+12 0.025 0.000 +DUPLICATE + +! Reaction index: Chemkin #976; RMG #976 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C[CH]CC(C)L(7)<=>C5H9L(24)+C5H9L(57) 1.225850e+27 -4.376 6.090 +DUPLICATE + +! Reaction index: Chemkin #977; RMG #977 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(24); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C5H8L(89)<=>C3H5R(58)+C5H9L(24) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #978; RMG #978 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C[CH]CC(C)CR(5)<=>C5H9L(57)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #979; RMG #979 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C[CH]CC(C)L(7)<=>C5H9L(57)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #980; RMG #980 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(57); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C5H8L(89)<=>C3H5R(58)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #981; RMG #981 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(24); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C5H8L(89)<=>C3H5L(59)+C5H9L(24) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #982; RMG #982 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(57); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C5H8L(89)<=>C3H5L(59)+C5H9L(57) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #983; RMG #983 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(24); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C5H8L(89)<=>C4H7R(60)+C5H9L(24) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #984; RMG #984 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(57); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+C5H8L(89)<=>C4H7R(60)+C5H9L(57) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #985; RMG #985 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C7H14R(9)<=>C5H9L(24)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #986; RMG #986 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C6H12L(11)<=>C5H9L(24)+C6H11L(63) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #987; RMG #987 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C10H20R(64)<=>C5H8L(89)+RC10(2) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #988; RMG #988 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(89); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C5H9L(57)<=>CC(C)CR(20)+C5H8L(89) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #989; RMG #989 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H9L(57), C5H8L(89); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H9L(57)+C[CH]CC(C)L(7)<=>C5H8L(89)+CCCC(C)L(16) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #990; RMG #990 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C8H16L(15)<=>C5H9L(24)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #991; RMG #991 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C5H8L(89), C5H9L(24); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+RC10L(1)<=>C5H9L(24)+C9H17LR(65) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #992; RMG #992 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C8H16L(15)<=>C5H9L(57)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #993; RMG #993 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C5H8L(89)+C7H14R(9)<=>C5H9L(57)+C7H13R(62) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #994; RMG #994 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C5H8L(89)+C6H12L(11)<=>C5H9L(57)+C6H11L(63) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #995; RMG #995 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C5H9L(57), C5H8L(89); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H9L(57)+C10H20R(64)<=>C5H8L(89)+RC10(2) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #996; RMG #996 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C5H8L(89), C5H9L(57); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+RC10L(1)<=>C5H9L(57)+C9H17LR(65) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #997; RMG #997 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H9L(57), C5H8L(89); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H9L(57)+C[CH]CC(C)CR(5)<=>C5H8L(89)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #998; RMG #998 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H9L(57), C5H8L(89); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H9L(57)+C7H14R(9)<=>C5H8L(89)+CC(C)CC(C)CR(23) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #999; RMG #999 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H9L(57), C5H8L(89); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H9L(57)+C6H12L(11)<=>C5H8L(89)+CC(C)CC(C)L(25) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #1000; RMG #1000 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C5H9L(57), C5H8L(89); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H9L(57)+C9H17LR(66)<=>C5H8L(89)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1001; RMG #1001 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C5H9L(57), C5H8L(89); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H9L(57)+C9H17LR(67)<=>C5H8L(89)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1002; RMG #1002 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C5H9L(57), C5H8L(89); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H9L(57)+C9H17LR(68)<=>C5H8L(89)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1003; RMG #1003 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C5H9L(57), C5H8L(89); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H9L(57)+C8H16L(15)<=>C5H8L(89)+C8H17L(49) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1004; RMG #1004 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C5H8L(89), C5H9L(57); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+RC10L(1)<=>C5H9L(57)+C9H17LR(69) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #1005; RMG #1005 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C5H9L(57), C5H8L(89); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H9L(57)+C9H17LR(70)<=>C5H8L(89)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #1006; RMG #1006 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C5H9L(57), C5H8L(89); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H9L(57)+C9H17LR(71)<=>C5H8L(89)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #1007; RMG #1007 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C5H8L(89), C5H9L(57); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+RC10L(1)<=>C5H9L(57)+C9H17LR(72) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #1008; RMG #1008 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C9H17LR(66)<=>C5H8L(89)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1009; RMG #1009 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C9H17LR(67)<=>C5H8L(89)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1010; RMG #1010 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C9H17LR(68)<=>C5H8L(89)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1011; RMG #1011 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C5H8L(89), C5H9L(24); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+RC10L(1)<=>C5H9L(24)+C9H17LR(69) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #1012; RMG #1012 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C9H17LR(70)<=>C5H8L(89)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1013; RMG #1013 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C9H17LR(71)<=>C5H8L(89)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1014; RMG #1014 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C5H8L(89), C5H9L(24); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+RC10L(1)<=>C5H9L(24)+C9H17LR(72) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #1015; RMG #1015 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C9H17LR(73)<=>C5H8L(89)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1016; RMG #1016 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C5H9L(57), C5H8L(89); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H9L(57)+C9H17LR(73)<=>C5H8L(89)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #1017; RMG #1017 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(24); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C5H8L(89)<=>CH3(74)+C5H9L(24) 4.240000e-02 4.340 24.900 + +! Reaction index: Chemkin #1018; RMG #1018 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(89); CH3(74), C(75); +! From training reaction 758 used for C/H3/Cd\H_Cd\H\Cs;C_methyl +! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +CH3(74)+C5H9L(57)<=>C(75)+C5H8L(89) 7.200000e-02 4.250 7.530 + +! Reaction index: Chemkin #1019; RMG #1019 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C10H20L(76)<=>C5H8L(89)+LC10(3) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1020; RMG #1020 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C5H9L(57), C5H8L(89); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H9L(57)+C10H20L(76)<=>C5H8L(89)+LC10(3) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1021; RMG #1021 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H9L(24); C5H8L(89), C5H8L(77); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+C5H9L(57)<=>C5H8L(77)+C5H9L(24) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1022; RMG #1022 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(24), C5H9L(84); C5H8L(77), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(77)+C5H9L(24)<=>C5H8L(89)+C5H9L(84) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1023; RMG #1023 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H9L(57); C5H8L(89), C5H8L(77); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+C5H9L(57)<=>C5H8L(77)+C5H9L(57) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #1024; RMG #1024 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(84), C5H9L(57); C5H8L(89), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C5H9L(84)<=>C5H8L(77)+C5H9L(57) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1025; RMG #1025 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(24), C5H8L(89); C3H4R(78), C3H5R(12); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C5H9L(24)<=>C3H5R(12)+C5H8L(89) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1026; RMG #1026 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(24), C5H8L(89); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C5H9L(24)<=>C3H5R(58)+C5H8L(89) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1027; RMG #1027 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(57); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C5H8L(89)<=>C3H4R(78)+C5H9L(57) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1028; RMG #1028 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(57); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+C5H8L(89)<=>C3H4R(78)+C5H9L(57) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #1029; RMG #1029 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(24), C5H8L(89); C4H6R(79), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C5H9L(24)<=>C4H7R(60)+C5H8L(89) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1030; RMG #1030 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(24), C5H8L(89); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C5H9L(24)<=>C4H7R(81)+C5H8L(89) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1031; RMG #1031 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(57); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C5H8L(89)<=>C4H6R(79)+C5H9L(57) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1032; RMG #1032 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(57); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C5H8L(89)<=>C4H6R(79)+C5H9L(57) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #1033; RMG #1033 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(24); [H][H](83), H(82); +! From training reaction 790 used for H2;C_rad/H/CdCs +! Exact match found for rate rule [H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[H][H](83)+C5H8L(89)<=>H(82)+C5H9L(24) 4.580000e-02 4.340 22.200 + +! Reaction index: Chemkin #1034; RMG #1034 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(89); H(82), [H][H](83); +! From training reaction 756 used for C/H3/Cd\H_Cd\H\Cs;H_rad +! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +H(82)+C5H9L(57)<=>[H][H](83)+C5H8L(89) 3.360000e+03 3.140 4.290 + +! Reaction index: Chemkin #1035; RMG #1035 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C7H15(85)<=>C5H8L(89)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1036; RMG #1036 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H9L(57), C5H8L(89); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H9L(57)+C7H15(85)<=>C5H8L(89)+CC(C)CC(C)C(87) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #1037; RMG #1037 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(24), C5H9L(57); C5H8L(89), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C5H9L(24)<=>C5H8L(89)+C5H9L(57) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1038; RMG #1038 +! Library reaction: restart +! Flux pairs: H(82), C6H11R(56); C6H10R(90), C6H11R(56); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R_Ext-5R!H-R_Ext-3R!H-R +H(82)+C6H10R(90)<=>C6H11R(56) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #1039; RMG #1039 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H11R(56)<=>CC(C)CR(20)+C6H10R(90) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1040; RMG #1040 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CR(10)+C6H11R(56)<=>CCCR(27)+C6H10R(90) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1041; RMG #1041 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H11R(56), C6H10R(90); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C[CH]CC(C)CR(5)<=>C6H10R(90)+CCCC(C)CR(32) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1042; RMG #1042 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H11R(56)<=>CC(C)L(13)+C6H10R(90) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1043; RMG #1043 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H11R(56)<=>CCCC(C)L(16)+C6H10R(90) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1044; RMG #1044 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]L(8)+C6H11R(56)<=>CCL(26)+C6H10R(90) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1045; RMG #1045 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H11R(56), C6H10R(90); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C6H12L(11)<=>C6H10R(90)+CC(C)CC(C)L(25) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1046; RMG #1046 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H10R(90)<=>C3H5R(12)+C6H11R(56) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #1047; RMG #1047 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]R(14)+C6H11R(56)<=>CR(22)+C6H10R(90) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1048; RMG #1048 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10R(90), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C[CH]CC(C)CR(5)<=>C6H11R(17)+C6H11R(56) 1.225850e+27 -4.376 7.170 + +! Reaction index: Chemkin #1049; RMG #1049 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H10R(90)<=>C2H3L(19)+C6H11R(56) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #1050; RMG #1050 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C8H16L(15)<=>C6H11R(56)+C8H15L(21) 1.225850e+27 -4.376 7.170 + +! Reaction index: Chemkin #1051; RMG #1051 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H10R(90)<=>C5H9L(24)+C6H11R(56) 1.225850e+27 -4.376 7.170 + +! Reaction index: Chemkin #1052; RMG #1052 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C[CH]CC(C)CR(5)<=>C6H11R(56)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1053; RMG #1053 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H10R(90)<=>C5H9L(57)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1054; RMG #1054 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H10R(90)<=>C3H5R(58)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1055; RMG #1055 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C6H10R(90)<=>C3H5L(59)+C6H11R(56) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1056; RMG #1056 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C6H10R(90)<=>C4H7R(60)+C6H11R(56) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1057; RMG #1057 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C8H16L(15)<=>C6H11R(56)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1058; RMG #1058 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(90)+C7H14R(9)<=>C6H11R(56)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1059; RMG #1059 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11R(56); C6H10R(90), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(90)+C6H12L(11)<=>C6H11L(63)+C6H11R(56) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1060; RMG #1060 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H11R(56), C6H10R(90); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C7H14R(9)<=>C6H10R(90)+CC(C)CC(C)CR(23) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1061; RMG #1061 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H11R(56), C6H10R(90); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C8H16L(15)<=>C6H10R(90)+C8H17L(49) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1062; RMG #1062 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H11R(56), C6H10R(90); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C10H20R(64)<=>C6H10R(90)+RC10(2) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1063; RMG #1063 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C6H11R(56), C6H10R(90); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C9H17LR(65)<=>C6H10R(90)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #1064; RMG #1064 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H11R(56), C6H10R(90); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C9H17LR(66)<=>C6H10R(90)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1065; RMG #1065 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H11R(56), C6H10R(90); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C9H17LR(67)<=>C6H10R(90)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1066; RMG #1066 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H11R(56), C6H10R(90); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C9H17LR(68)<=>C6H10R(90)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1067; RMG #1067 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C6H11R(56), C6H10R(90); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C9H17LR(69)<=>C6H10R(90)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #1068; RMG #1068 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H11R(56), C6H10R(90); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C9H17LR(70)<=>C6H10R(90)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1069; RMG #1069 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H11R(56), C6H10R(90); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C9H17LR(71)<=>C6H10R(90)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1070; RMG #1070 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C6H11R(56), C6H10R(90); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C9H17LR(72)<=>C6H10R(90)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #1071; RMG #1071 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H11R(56), C6H10R(90); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C9H17LR(73)<=>C6H10R(90)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1072; RMG #1072 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); CH3(74), C(75); +! From training reaction 1082 used for C/H/Cs2Cd;C_methyl +! Exact match found for rate rule [C/H/Cs2Cd;C_methyl] +! Euclidian distance = 0 +! family: H_Abstraction +CH3(74)+C6H11R(56)<=>C(75)+C6H10R(90) 5.870000e-03 4.340 2.200 + +! Reaction index: Chemkin #1073; RMG #1073 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H11R(56), C6H10R(90); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C10H20L(76)<=>C6H10R(90)+LC10(3) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1074; RMG #1074 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(56); C5H9L(57), C5H8L(77); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C6H10R(90)<=>C5H8L(77)+C6H11R(56) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #1075; RMG #1075 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C5H8L(77), C5H9L(84); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(77)+C6H11R(56)<=>C5H9L(84)+C6H10R(90) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1076; RMG #1076 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C3H4R(78), C3H5R(12); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+C6H11R(56)<=>C3H5R(12)+C6H10R(90) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1077; RMG #1077 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C3H4R(78), C3H5R(58); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+C6H11R(56)<=>C3H5R(58)+C6H10R(90) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #1078; RMG #1078 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C4H6R(79), C4H7R(60); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6R(79)+C6H11R(56)<=>C4H7R(60)+C6H10R(90) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1079; RMG #1079 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6R(79)+C6H11R(56)<=>C4H7R(81)+C6H10R(90) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #1080; RMG #1080 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); H(82), [H][H](83); +! From training reaction 1081 used for C/H/Cs2Cd;H_rad +! Exact match found for rate rule [C/H/Cs2Cd;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(82)+C6H11R(56)<=>[H][H](83)+C6H10R(90) 2.480000e-01 4.340 0.100 + +! Reaction index: Chemkin #1081; RMG #1081 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H11R(56), C6H10R(90); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C7H15(85)<=>C6H10R(90)+CC(C)CC(C)C(87) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1082; RMG #1082 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C5H8L(89), C5H9L(24); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+C6H11R(56)<=>C5H9L(24)+C6H10R(90) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1083; RMG #1083 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C5H8L(89), C5H9L(57); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+C6H11R(56)<=>C5H9L(57)+C6H10R(90) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #1084; RMG #1084 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CH3(74), C5H8L(89); C4H5L(91), C5H8L(89); +! From training reaction 471 used for Cds-CsH_Cds-CdH;CsJ-HHH +! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-HHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +CH3(74)+C4H5L(91)<=>C5H8L(89) 1.130000e+04 2.410 4.000 + +! Reaction index: Chemkin #1085; RMG #1085 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C[CH]L(8), C6H9L2(92); C4H5L(91), C6H9L2(92); +! From training reaction 275 used for Cds-HH_Cds-CdH;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]L(8)+C4H5L(91)<=>C6H9L2(92) 1.920000e+03 2.410 0.760 + +! Reaction index: Chemkin #1086; RMG #1086 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CH3(74), C[CH]CC(93); C3H6(18), C[CH]CC(93); +! Matched reaction 237 CH3 + propene_1 <=> C4H9-3 in R_Addition_MultipleBond/training +! This reaction matched rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-HHH] +! family: R_Addition_MultipleBond +CH3(74)+C3H6(18)<=>C[CH]CC(93) 2.100000e+04 2.410 5.320 + +! Reaction index: Chemkin #1087; RMG #1087 +! Library reaction: restart +! Flux pairs: C[CH]C(94), RC10(2); C7H14R(9), RC10(2); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-5R!H-R +C[CH]C(94)+C7H14R(9)<=>RC10(2) 2.124550e+14 -0.429 0.000 + +! Reaction index: Chemkin #1088; RMG #1088 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C9H17LR(65)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 4.536 + +! Reaction index: Chemkin #1089; RMG #1089 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C9H17LR(69)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 4.536 + +! Reaction index: Chemkin #1090; RMG #1090 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C9H17LR(66)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 4.198 + +! Reaction index: Chemkin #1091; RMG #1091 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C9H17LR(68)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 4.198 + +! Reaction index: Chemkin #1092; RMG #1092 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C9H17LR(72)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 4.536 + +! Reaction index: Chemkin #1093; RMG #1093 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C9H17LR(73)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 3.763 + +! Reaction index: Chemkin #1094; RMG #1094 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C9H17LR(71)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 3.763 + +! Reaction index: Chemkin #1095; RMG #1095 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C9H17LR(67)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 4.198 + +! Reaction index: Chemkin #1096; RMG #1096 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C9H17LR(70)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 3.763 + +! Reaction index: Chemkin #1097; RMG #1097 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C10H20R(64)<=>C3H6(18)+RC10(2) 2.451710e+27 -4.376 4.198 + +! Reaction index: Chemkin #1098; RMG #1098 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C10H20L(76)<=>C3H6(18)+LC10(3) 2.451710e+27 -4.376 4.198 + +! Reaction index: Chemkin #1099; RMG #1099 +! Library reaction: restart +! Flux pairs: C[CH]C(94), C3H6(18); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4R(78)+C[CH]C(94)<=>C3H5R(12)+C3H6(18) 2.451710e+27 -4.376 6.820 + +! Reaction index: Chemkin #1100; RMG #1100 +! Library reaction: restart +! Flux pairs: C[CH]C(94), CC(C)L(13); [CH2]C(C)L(4), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +[CH2]C(C)L(4)+C[CH]C(94)<=>C3H6(18)+CC(C)L(13) 2.451710e+27 -4.376 3.763 + +! Reaction index: Chemkin #1101; RMG #1101 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C[CH]CC(C)L(7)<=>C3H6(18)+CCCC(C)L(16) 2.451710e+27 -4.376 4.198 + +! Reaction index: Chemkin #1102; RMG #1102 +! Library reaction: restart +! Flux pairs: [CH2]R(14), CC(C)CR(20); C[CH]C(94), CC(C)CR(20); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-5R!H-R +[CH2]R(14)+C[CH]C(94)<=>CC(C)CR(20) 2.124550e+14 -0.429 0.000 + +! Reaction index: Chemkin #1103; RMG #1103 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+[CH2]C(C)CR(6)<=>C3H6(18)+CC(C)CR(20) 2.451710e+27 -4.376 3.763 + +! Reaction index: Chemkin #1104; RMG #1104 +! Library reaction: restart +! Flux pairs: C[CH]C(94), C3H6(18); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +[CH2]R(14)+C[CH]C(94)<=>CR(22)+C3H6(18) 2.451710e+27 -4.376 3.763 + +! Reaction index: Chemkin #1105; RMG #1105 +! Library reaction: restart +! Flux pairs: C[CH]C(94), CC(C)CC(C)CR(23); [CH2]C(C)CR(6), CC(C)CC(C)CR(23); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-5R!H-R +C[CH]C(94)+[CH2]C(C)CR(6)<=>CC(C)CC(C)CR(23) 2.124550e+14 -0.429 0.000 + +! Reaction index: Chemkin #1106; RMG #1106 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C7H14R(9)<=>C3H6(18)+CC(C)CC(C)CR(23) 2.451710e+27 -4.376 3.763 + +! Reaction index: Chemkin #1107; RMG #1107 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(24); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C5H8L(89)<=>C3H6(18)+C5H9L(24) 2.451710e+27 -4.376 6.946 + +! Reaction index: Chemkin #1108; RMG #1108 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), CC(C)CC(C)L(25); C[CH]C(94), CC(C)CC(C)L(25); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-5R!H-R +[CH2]C(C)L(4)+C[CH]C(94)<=>CC(C)CC(C)L(25) 2.124550e+14 -0.429 0.000 + +! Reaction index: Chemkin #1109; RMG #1109 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C6H12L(11)<=>C3H6(18)+CC(C)CC(C)L(25) 2.451710e+27 -4.376 3.763 + +! Reaction index: Chemkin #1110; RMG #1110 +! Library reaction: restart +! Flux pairs: C[CH]C(94), C3H6(18); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]L(8)+C[CH]C(94)<=>CCL(26)+C3H6(18) 2.451710e+27 -4.376 4.198 + +! Reaction index: Chemkin #1111; RMG #1111 +! Library reaction: restart +! Flux pairs: C[CH]C(94), CCCR(27); C[CH]CR(10), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]CR(10)+C[CH]C(94)<=>C3H6(18)+CCCR(27) 2.451710e+27 -4.376 4.198 + +! Reaction index: Chemkin #1112; RMG #1112 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C[CH]CC(C)CR(5)<=>C3H6(18)+CCCC(C)CR(32) 2.451710e+27 -4.376 4.198 + +! Reaction index: Chemkin #1113; RMG #1113 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C8H16L(15)<=>C3H6(18)+C8H17L(49) 2.451710e+27 -4.376 4.198 + +! Reaction index: Chemkin #1114; RMG #1114 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C6H10R(90)<=>C3H6(18)+C6H11R(56) 2.451710e+27 -4.376 7.254 + +! Reaction index: Chemkin #1115; RMG #1115 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(57); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C5H8L(77)<=>C3H6(18)+C5H9L(57) 2.451710e+27 -4.376 7.254 + +! Reaction index: Chemkin #1116; RMG #1116 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(57); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C5H8L(89)<=>C3H6(18)+C5H9L(57) 2.451710e+27 -4.376 6.166 + +! Reaction index: Chemkin #1117; RMG #1117 +! Library reaction: restart +! Flux pairs: C[CH]C(94), C3H6(18); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4R(78)+C[CH]C(94)<=>C3H5R(58)+C3H6(18) 2.451710e+27 -4.376 6.166 + +! Reaction index: Chemkin #1118; RMG #1118 +! Library reaction: restart +! Flux pairs: C4H6R(79), C4H7R(60); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C4H6R(79)<=>C3H6(18)+C4H7R(60) 2.451710e+27 -4.376 6.820 + +! Reaction index: Chemkin #1119; RMG #1119 +! Library reaction: restart +! Flux pairs: C[CH]C(94), C3H6(18); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +CH3(74)+C[CH]C(94)<=>C(75)+C3H6(18) 2.451710e+27 -4.376 3.164 + +! Reaction index: Chemkin #1120; RMG #1120 +! Library reaction: restart +! Flux pairs: C4H6R(79), C4H7R(81); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C4H6R(79)<=>C3H6(18)+C4H7R(81) 2.451710e+27 -4.376 6.166 + +! Reaction index: Chemkin #1121; RMG #1121 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C[CH]C(94); C3H6(18), C[CH]C(94); +! Matched reaction 2814 H + propene_1 <=> C3H7-3 in R_Addition_MultipleBond/training +! This reaction matched rate rule [Cds-HH_Cds-Cs\H3/H;HJ] +! family: R_Addition_MultipleBond +H(82)+C3H6(18)<=>C[CH]C(94) 1.840000e+09 1.553 1.570 + +! Reaction index: Chemkin #1122; RMG #1122 +! Library reaction: restart +! Flux pairs: C[CH]C(94), C3H6(18); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +H(82)+C[CH]C(94)<=>[H][H](83)+C3H6(18) 2.451710e+27 -4.376 3.290 + +! Reaction index: Chemkin #1123; RMG #1123 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(84); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C5H8L(77)<=>C3H6(18)+C5H9L(84) 2.451710e+27 -4.376 6.935 + +! Reaction index: Chemkin #1124; RMG #1124 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C7H15(85)<=>C3H6(18)+CC(C)CC(C)C(87) 2.451710e+27 -4.376 3.763 + +! Reaction index: Chemkin #1125; RMG #1125 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C[CH]C(94), CCC(95); +! From training reaction 955 used for C/H/Cs3;C_rad/H/Cs\H3/Cs\H3 +! Exact match found for rate rule [C/H/Cs3;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]C(94)+RC10L(1)<=>CCC(95)+C9H17LR(65) 8.110000e-04 4.340 5.300 + +! Reaction index: Chemkin #1126; RMG #1126 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C[CH]C(94), CCC(95); +! From training reaction 955 used for C/H/Cs3;C_rad/H/Cs\H3/Cs\H3 +! Exact match found for rate rule [C/H/Cs3;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]C(94)+RC10L(1)<=>CCC(95)+C9H17LR(69) 8.110000e-04 4.340 5.300 + +! Reaction index: Chemkin #1127; RMG #1127 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(66); C[CH]C(94), CCC(95); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]C(94)+RC10L(1)<=>CCC(95)+C9H17LR(66) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #1128; RMG #1128 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(68); C[CH]C(94), CCC(95); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]C(94)+RC10L(1)<=>CCC(95)+C9H17LR(68) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #1129; RMG #1129 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C[CH]C(94), CCC(95); +! From training reaction 955 used for C/H/Cs3;C_rad/H/Cs\H3/Cs\H3 +! Exact match found for rate rule [C/H/Cs3;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]C(94)+RC10L(1)<=>CCC(95)+C9H17LR(72) 8.110000e-04 4.340 5.300 + +! Reaction index: Chemkin #1130; RMG #1130 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); CCC(95), C[CH]C(94); +! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C9H17LR(73)<=>C[CH]C(94)+RC10L(1) 1.840000e-03 4.340 7.000 + +! Reaction index: Chemkin #1131; RMG #1131 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); CCC(95), C[CH]C(94); +! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C9H17LR(71)<=>C[CH]C(94)+RC10L(1) 1.840000e-03 4.340 7.000 + +! Reaction index: Chemkin #1132; RMG #1132 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(67); C[CH]C(94), CCC(95); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]C(94)+RC10L(1)<=>CCC(95)+C9H17LR(67) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #1133; RMG #1133 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); CCC(95), C[CH]C(94); +! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C9H17LR(70)<=>C[CH]C(94)+RC10L(1) 1.840000e-03 4.340 7.000 + +! Reaction index: Chemkin #1134; RMG #1134 +! Template reaction: H_Abstraction +! Flux pairs: RC10(2), C10H20R(64); C[CH]C(94), CCC(95); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]C(94)+RC10(2)<=>CCC(95)+C10H20R(64) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #1135; RMG #1135 +! Template reaction: H_Abstraction +! Flux pairs: LC10(3), C10H20L(76); C[CH]C(94), CCC(95); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]C(94)+LC10(3)<=>CCC(95)+C10H20L(76) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #1136; RMG #1136 +! Template reaction: H_Abstraction +! Flux pairs: CCC(95), C[CH]C(94); C3H4R(78), C3H5R(12); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+CCC(95)<=>C3H5R(12)+C[CH]C(94) 1.476000e-02 4.340 18.000 + +! Reaction index: Chemkin #1137; RMG #1137 +! Template reaction: H_Abstraction +! Flux pairs: CCC(95), C[CH]C(94); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+CCC(95)<=>CC(C)L(13)+C[CH]C(94) 1.840000e-03 4.340 7.000 + +! Reaction index: Chemkin #1138; RMG #1138 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)L(16), C[CH]CC(C)L(7); C[CH]C(94), CCC(95); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]C(94)+CCCC(C)L(16)<=>CCC(95)+C[CH]CC(C)L(7) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #1139; RMG #1139 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); CCC(95), C[CH]C(94); +! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+[CH2]C(C)CR(6)<=>C[CH]C(94)+CC(C)CR(20) 1.840000e-03 4.340 7.000 + +! Reaction index: Chemkin #1140; RMG #1140 +! Template reaction: H_Abstraction +! Flux pairs: CCC(95), C[CH]C(94); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+CCC(95)<=>CR(22)+C[CH]C(94) 1.840000e-03 4.340 7.000 + +! Reaction index: Chemkin #1141; RMG #1141 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); CCC(95), C[CH]C(94); +! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C7H14R(9)<=>C[CH]C(94)+CC(C)CC(C)CR(23) 1.840000e-03 4.340 7.000 + +! Reaction index: Chemkin #1142; RMG #1142 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(24); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C5H8L(89)<=>C[CH]C(94)+C5H9L(24) 1.476000e-02 4.340 18.000 + +! Reaction index: Chemkin #1143; RMG #1143 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); CCC(95), C[CH]C(94); +! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C6H12L(11)<=>C[CH]C(94)+CC(C)CC(C)L(25) 1.840000e-03 4.340 7.000 + +! Reaction index: Chemkin #1144; RMG #1144 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]C(94), CCC(95); CCL(26), C[CH]L(8); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCL(26)+C[CH]C(94)<=>C[CH]L(8)+CCC(95) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #1145; RMG #1145 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]C(94), CCC(95); CCCR(27), C[CH]CR(10); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCR(27)+C[CH]C(94)<=>C[CH]CR(10)+CCC(95) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #1146; RMG #1146 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); C[CH]C(94), CCC(95); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]C(94)+CCCC(C)CR(32)<=>CCC(95)+C[CH]CC(C)CR(5) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #1147; RMG #1147 +! Template reaction: H_Abstraction +! Flux pairs: C8H17L(49), C8H16L(15); C[CH]C(94), CCC(95); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]C(94)+C8H17L(49)<=>CCC(95)+C8H16L(15) 2.573750e-03 4.290 7.713 + +! Reaction index: Chemkin #1148; RMG #1148 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C[CH]C(94), CCC(95); +! From training reaction 1084 used for C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]C(94)+C6H11R(56)<=>CCC(95)+C6H10R(90) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1149; RMG #1149 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); C[CH]C(94), CCC(95); +! From training reaction 1084 used for C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]C(94)+C5H9L(57)<=>CCC(95)+C5H8L(77) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1150; RMG #1150 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(57); CCC(95), C[CH]C(94); +! From training reaction 913 used for C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C5H8L(89)<=>C[CH]C(94)+C5H9L(57) 2.920000e-02 4.340 16.600 + +! Reaction index: Chemkin #1151; RMG #1151 +! Template reaction: H_Abstraction +! Flux pairs: CCC(95), C[CH]C(94); C3H4R(78), C3H5R(58); +! From training reaction 913 used for C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+CCC(95)<=>C3H5R(58)+C[CH]C(94) 2.920000e-02 4.340 16.600 + +! Reaction index: Chemkin #1152; RMG #1152 +! Template reaction: H_Abstraction +! Flux pairs: C4H6R(79), C4H7R(60); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C4H6R(79)<=>C[CH]C(94)+C4H7R(60) 1.476000e-02 4.340 18.000 + +! Reaction index: Chemkin #1153; RMG #1153 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]C(94), CCC(95); C(75), CH3(74); +! Matched reaction 315 C3H7 + CH4b <=> C3H8 + CH3_p1 in H_Abstraction/training +! This reaction matched rate rule [C_methane;C_rad/H/Cs\H3/Cs\H3] +! family: H_Abstraction +C(75)+C[CH]C(94)<=>CH3(74)+CCC(95) 7.240000e-04 4.400 10.790 + +! Reaction index: Chemkin #1154; RMG #1154 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(81), C4H6R(79); C[CH]C(94), CCC(95); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C[CH]C(94)+C4H7R(81)<=>CCC(95)+C4H6R(79) 2.016000e-03 4.340 4.700 + +! Reaction index: Chemkin #1155; RMG #1155 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]C(94), CCC(95); [H][H](83), H(82); +! Matched reaction 787 H2 + C3H7 <=> C3H8 + H in H_Abstraction/training +! This reaction matched rate rule [H2;C_rad/H/Cs\H3/Cs\H3] +! family: H_Abstraction +[H][H](83)+C[CH]C(94)<=>H(82)+CCC(95) 5.420000e-03 4.340 9.900 + +! Reaction index: Chemkin #1156; RMG #1156 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(77), C5H9L(84); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C5H8L(77)<=>C[CH]C(94)+C5H9L(84) 1.476000e-02 4.340 18.000 + +! Reaction index: Chemkin #1157; RMG #1157 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); CCC(95), C[CH]C(94); +! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C7H15(85)<=>C[CH]C(94)+CC(C)CC(C)C(87) 1.840000e-03 4.340 7.000 + +! Reaction index: Chemkin #1158; RMG #1158 +! Template reaction: R_Recombination +! Flux pairs: H(82), CCC(95); C[CH]C(94), CCC(95); +! Matched reaction 59 H + C3H7-2 <=> C3H8-2 in R_Recombination/training +! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R] +! family: R_Recombination +H(82)+C[CH]C(94)<=>CCC(95) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1159; RMG #1159 +! Library reaction: restart +! Flux pairs: C[CH]C(94), CCC(95); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C[CH]C(94)<=>C3H5R(12)+CCC(95) 1.225850e+27 -4.376 4.256 + +! Reaction index: Chemkin #1160; RMG #1160 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C[CH]CC(C)CR(5)<=>CCC(95)+C6H11R(17) 1.225850e+27 -4.376 4.120 + +! Reaction index: Chemkin #1161; RMG #1161 +! Library reaction: restart +! Flux pairs: C[CH]C(94), CCC(95); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C[CH]C(94)<=>C3H6(18)+CCC(95) 2.451710e+27 -4.376 4.180 + +! Reaction index: Chemkin #1162; RMG #1162 +! Library reaction: restart +! Flux pairs: C[CH]C(94), CCC(95); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C[CH]C(94)<=>C2H3L(19)+CCC(95) 1.225850e+27 -4.376 4.256 + +! Reaction index: Chemkin #1163; RMG #1163 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C8H16L(15)<=>CCC(95)+C8H15L(21) 1.225850e+27 -4.376 4.120 + +! Reaction index: Chemkin #1164; RMG #1164 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C[CH]CC(C)L(7)<=>CCC(95)+C5H9L(24) 1.225850e+27 -4.376 4.120 + +! Reaction index: Chemkin #1165; RMG #1165 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]C(94)+C[CH]CC(C)CR(5)<=>CCC(95)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1166; RMG #1166 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]C(94)+C[CH]CC(C)L(7)<=>CCC(95)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1167; RMG #1167 +! Library reaction: restart +! Flux pairs: C[CH]C(94), CCC(95); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C[CH]C(94)<=>C3H5R(58)+CCC(95) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1168; RMG #1168 +! Library reaction: restart +! Flux pairs: C[CH]C(94), CCC(95); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C[CH]C(94)<=>C3H5L(59)+CCC(95) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1169; RMG #1169 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]C(94)+[CH2]C(C)CR(6)<=>CCC(95)+C4H7R(60) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1170; RMG #1170 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]C(94)+C8H16L(15)<=>CCC(95)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1171; RMG #1171 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]C(94)+C7H14R(9)<=>CCC(95)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1172; RMG #1172 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]C(94)+C6H12L(11)<=>CCC(95)+C6H11L(63) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1173; RMG #1173 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CH3(74), C5H8L(96); C4H5L(91), C5H8L(96); +! From training reaction 273 used for Cds-HH_Cds-CdH;CsJ-HHH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-HHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +CH3(74)+C4H5L(91)<=>C5H8L(96) 2.360000e+04 2.410 2.520 + +! Reaction index: Chemkin #1174; RMG #1174 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C[CH]CR(10), C7H11LR(97); C4H5L(91), C7H11LR(97); +! From training reaction 275 used for Cds-HH_Cds-CdH;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]CR(10)+C4H5L(91)<=>C7H11LR(97) 1.920000e+03 2.410 0.760 + +! Reaction index: Chemkin #1175; RMG #1175 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C6H10R(90), C6H11R(98); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(90)+RC10L(1)<=>C6H11R(98)+C9H17LR(65) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #1176; RMG #1176 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C6H10R(90), C6H11R(98); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(90)+RC10L(1)<=>C6H11R(98)+C9H17LR(69) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #1177; RMG #1177 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H11R(98), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(98)+C9H17LR(66)<=>C6H10R(90)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1178; RMG #1178 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H11R(98), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(98)+C9H17LR(68)<=>C6H10R(90)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1179; RMG #1179 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C6H10R(90), C6H11R(98); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(90)+RC10L(1)<=>C6H11R(98)+C9H17LR(72) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #1180; RMG #1180 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H11R(98), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(98)+C9H17LR(73)<=>C6H10R(90)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1181; RMG #1181 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H11R(98), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(98)+C9H17LR(71)<=>C6H10R(90)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1182; RMG #1182 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H11R(98), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(98)+C9H17LR(67)<=>C6H10R(90)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1183; RMG #1183 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H11R(98), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(98)+C9H17LR(70)<=>C6H10R(90)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1184; RMG #1184 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H11R(98), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(98)+C10H20R(64)<=>C6H10R(90)+RC10(2) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1185; RMG #1185 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H11R(98), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(98)+C10H20L(76)<=>C6H10R(90)+LC10(3) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1186; RMG #1186 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C6H10R(90)<=>C3H4R(78)+C6H11R(98) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1187; RMG #1187 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(98), C6H10R(90); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H11R(98)<=>CC(C)L(13)+C6H10R(90) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1188; RMG #1188 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(98), C6H10R(90); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H11R(98)<=>CCCC(C)L(16)+C6H10R(90) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1189; RMG #1189 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(98), C6H10R(90); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H11R(98)<=>CC(C)CR(20)+C6H10R(90) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1190; RMG #1190 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(98), C6H10R(90); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C6H11R(98)<=>CR(22)+C6H10R(90) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1191; RMG #1191 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H11R(98), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(98)+C7H14R(9)<=>C6H10R(90)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1192; RMG #1192 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C6H10R(90)<=>C5H8L(89)+C6H11R(98) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1193; RMG #1193 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H11R(98), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(98)+C6H12L(11)<=>C6H10R(90)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1194; RMG #1194 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(98), C6H10R(90); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C6H11R(98)<=>CCL(26)+C6H10R(90) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1195; RMG #1195 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(98), C6H10R(90); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C6H11R(98)<=>CCCR(27)+C6H10R(90) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1196; RMG #1196 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H11R(98), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(98)+C[CH]CC(C)CR(5)<=>C6H10R(90)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1197; RMG #1197 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H11R(98), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(98)+C8H16L(15)<=>C6H10R(90)+C8H17L(49) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1198; RMG #1198 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H11R(98); C6H10R(90), C6H10R(90); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(90)+C6H11R(56)<=>C6H10R(90)+C6H11R(98) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1199; RMG #1199 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C5H9L(57), C5H8L(77); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C6H10R(90)<=>C5H8L(77)+C6H11R(98) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1200; RMG #1200 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(98), C6H10R(90); C5H8L(89), C5H9L(57); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C6H11R(98)<=>C5H9L(57)+C6H10R(90) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1201; RMG #1201 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(98), C6H10R(90); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C6H11R(98)<=>C3H5R(58)+C6H10R(90) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1202; RMG #1202 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C6H10R(90)<=>C4H6R(79)+C6H11R(98) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1203; RMG #1203 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C6H10R(90)<=>CH3(74)+C6H11R(98) 4.240000e-02 4.340 24.900 + +! Reaction index: Chemkin #1204; RMG #1204 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(98), C6H10R(90); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C6H11R(98)<=>C4H7R(81)+C6H10R(90) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1205; RMG #1205 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); [H][H](83), H(82); +! From training reaction 790 used for H2;C_rad/H/CdCs +! Exact match found for rate rule [H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[H][H](83)+C6H10R(90)<=>H(82)+C6H11R(98) 4.580000e-02 4.340 22.200 + +! Reaction index: Chemkin #1206; RMG #1206 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(98), C6H10R(90); C5H8L(77), C5H9L(84); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(77)+C6H11R(98)<=>C5H9L(84)+C6H10R(90) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1207; RMG #1207 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H11R(98), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(98)+C7H15(85)<=>C6H10R(90)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1208; RMG #1208 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C6H10R(90)<=>C[CH]C(94)+C6H11R(98) 1.476000e-02 4.340 18.000 + +! Reaction index: Chemkin #1209; RMG #1209 +! Library reaction: restart +! Flux pairs: H(82), C6H11R(98); C6H10R(90), C6H11R(98); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R +H(82)+C6H10R(90)<=>C6H11R(98) 1.803320e+13 0.128 0.000 + +! Reaction index: Chemkin #1210; RMG #1210 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H10R(90)<=>C3H5R(12)+C6H11R(98) 1.225850e+27 -4.376 7.038 + +! Reaction index: Chemkin #1211; RMG #1211 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(98); C6H10R(90), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C[CH]CC(C)CR(5)<=>C6H11R(17)+C6H11R(98) 1.225850e+27 -4.376 6.853 + +! Reaction index: Chemkin #1212; RMG #1212 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C6H10R(90)<=>C3H6(18)+C6H11R(98) 2.451710e+27 -4.376 6.935 + +! Reaction index: Chemkin #1213; RMG #1213 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H10R(90)<=>C2H3L(19)+C6H11R(98) 1.225850e+27 -4.376 7.038 + +! Reaction index: Chemkin #1214; RMG #1214 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C8H16L(15)<=>C6H11R(98)+C8H15L(21) 1.225850e+27 -4.376 6.853 + +! Reaction index: Chemkin #1215; RMG #1215 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H10R(90)<=>C5H9L(24)+C6H11R(98) 1.225850e+27 -4.376 6.853 + +! Reaction index: Chemkin #1216; RMG #1216 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(98); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C[CH]CC(C)CR(5)<=>C6H11R(56)+C6H11R(98) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1217; RMG #1217 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H10R(90)<=>C5H9L(57)+C6H11R(98) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1218; RMG #1218 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H10R(90)<=>C3H5R(58)+C6H11R(98) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1219; RMG #1219 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C6H10R(90)<=>C3H5L(59)+C6H11R(98) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1220; RMG #1220 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C6H10R(90)<=>C4H7R(60)+C6H11R(98) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1221; RMG #1221 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C8H16L(15)<=>C6H11R(98)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1222; RMG #1222 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(90)+C7H14R(9)<=>C6H11R(98)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1223; RMG #1223 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11R(98); C6H10R(90), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(90)+C6H12L(11)<=>C6H11L(63)+C6H11R(98) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1224; RMG #1224 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H4R(78), C6H9LR(99); C3H5L(59), C6H9LR(99); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H4R(78)+C3H5L(59)<=>C6H9LR(99) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #1225; RMG #1225 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H4R(78), C7H9LR(100); C4H5L(91), C7H9LR(100); +! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H4R(78)+C4H5L(91)<=>C7H9LR(100) 2.490000e+04 2.410 8.810 + +! Reaction index: Chemkin #1226; RMG #1226 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C2H3L(19), CC(L)C[CH]L(101); C[CH]L(8), CC(L)C[CH]L(101); +! Estimated using an average for rate rule [Cds-HH_Cds-CsH;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C2H3L(19)+C[CH]L(8)<=>CC(L)C[CH]L(101) 1.710000e+03 2.410 3.550 + +! Reaction index: Chemkin #1227; RMG #1227 +! Library reaction: restart +! Flux pairs: CH3(74), CC(L)CC(C)L(35); CC(L)C[CH]L(101), CC(L)CC(C)L(35); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +CH3(74)+CC(L)C[CH]L(101)<=>CC(L)CC(C)L(35) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #1228; RMG #1228 +! Library reaction: restart +! Flux pairs: C3H5(102), C6H11R(17); C[CH]CR(10), C6H11R(17); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +! Multiplied by reaction path degeneracy 2.0 +C3H5(102)+C[CH]CR(10)<=>C6H11R(17) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #1229; RMG #1229 +! Template reaction: R_Recombination +! Flux pairs: H(82), C3H6(18); C3H5(102), C3H6(18); +! Matched reaction 121 H + C3H5 <=> C3H6-2 in R_Recombination/training +! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- +! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing] +! family: R_Recombination +H(82)+C3H5(102)<=>C3H6(18) 5.840000e+13 0.180 0.124 + +! Reaction index: Chemkin #1230; RMG #1230 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+[CH2]C(C)CR(6)<=>C3H5(102)+CC(C)CR(20) 2.961350e-04 4.545 4.565 + +! Reaction index: Chemkin #1231; RMG #1231 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CR(10), CCCR(27); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C[CH]CR(10)<=>C3H5(102)+CCCR(27) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1232; RMG #1232 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+[CH2]C(C)L(4)<=>C3H5(102)+CC(C)L(13) 2.961350e-04 4.545 4.565 + +! Reaction index: Chemkin #1233; RMG #1233 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C7H14R(9)<=>C3H5(102)+CC(C)CC(C)CR(23) 2.961350e-04 4.545 4.565 + +! Reaction index: Chemkin #1234; RMG #1234 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C[CH]CC(C)L(7)<=>C3H5(102)+CCCC(C)L(16) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1235; RMG #1235 +! Template reaction: H_Abstraction +! Flux pairs: C3H6(18), C3H5(102); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]L(8)+C3H6(18)<=>CCL(26)+C3H5(102) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1236; RMG #1236 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C6H12L(11)<=>C3H5(102)+CC(C)CC(C)L(25) 2.961350e-04 4.545 4.565 + +! Reaction index: Chemkin #1237; RMG #1237 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H6(18); C3H5(102), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C[CH]CR(10)<=>C3H5R(12)+C3H6(18) 2.451710e+27 -4.376 6.289 + +! Reaction index: Chemkin #1238; RMG #1238 +! Template reaction: H_Abstraction +! Flux pairs: C3H6(18), C3H5(102); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]R(14)+C3H6(18)<=>CR(22)+C3H5(102) 2.961350e-04 4.545 4.565 + +! Reaction index: Chemkin #1239; RMG #1239 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C[CH]CC(C)CR(5)<=>C3H6(18)+C6H11R(17) 2.451710e+27 -4.376 6.116 + +! Reaction index: Chemkin #1240; RMG #1240 +! Library reaction: restart +! Flux pairs: C[CH]C(94), C3H6(18); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C3H5(102)+C[CH]C(94)<=>C3H6(18)+C3H6(18) 4.903420e+27 -4.376 6.192 + +! Reaction index: Chemkin #1241; RMG #1241 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C[CH]CC(C)CR(5)<=>C3H5(102)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1242; RMG #1242 +! Library reaction: restart +! Flux pairs: C3H5(102), C3H6(18); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]L(8)+C3H5(102)<=>C2H3L(19)+C3H6(18) 2.451710e+27 -4.376 6.289 + +! Reaction index: Chemkin #1243; RMG #1243 +! Library reaction: restart +! Flux pairs: C3H5(102), C8H15L(21); C[CH]CC(C)L(7), C8H15L(21); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +! Multiplied by reaction path degeneracy 2.0 +C3H5(102)+C[CH]CC(C)L(7)<=>C8H15L(21) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #1244; RMG #1244 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C8H16L(15)<=>C3H5(102)+C8H17L(49) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1245; RMG #1245 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C8H16L(15)<=>C3H6(18)+C8H15L(21) 2.451710e+27 -4.376 6.116 + +! Reaction index: Chemkin #1246; RMG #1246 +! Library reaction: restart +! Flux pairs: C[CH]L(8), C5H9L(24); C3H5(102), C5H9L(24); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C3H5(102)<=>C5H9L(24) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #1247; RMG #1247 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C[CH]CC(C)L(7)<=>C3H6(18)+C5H9L(24) 2.451710e+27 -4.376 6.116 + +! Reaction index: Chemkin #1248; RMG #1248 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C[CH]CC(C)CR(5)<=>C3H6(18)+C6H11R(56) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1249; RMG #1249 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C[CH]CC(C)L(7)<=>C3H6(18)+C5H9L(57) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1250; RMG #1250 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H6(18); C3H5(102), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C[CH]CR(10)<=>C3H5R(58)+C3H6(18) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1251; RMG #1251 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), C3H6(18); C3H5(102), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C3H5(102)+[CH2]C(C)L(4)<=>C3H5L(59)+C3H6(18) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #1252; RMG #1252 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C3H5(102)+[CH2]C(C)CR(6)<=>C3H6(18)+C4H7R(60) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #1253; RMG #1253 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C8H16L(15)<=>C3H6(18)+C8H15L(61) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1254; RMG #1254 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C3H5(102)+C7H14R(9)<=>C3H6(18)+C7H13R(62) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #1255; RMG #1255 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C3H5(102)+C6H12L(11)<=>C3H6(18)+C6H11L(63) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #1256; RMG #1256 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C10H20R(64)<=>C3H5(102)+RC10(2) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1257; RMG #1257 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C3H6(18), C3H5(102); +! From training reaction 999 used for C/H3/Cd\H_Cd\H2;C_rad/Cs3 +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C9H17LR(65)<=>C3H5(102)+RC10L(1) 1.014000e-03 4.340 3.700 + +! Reaction index: Chemkin #1258; RMG #1258 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C9H17LR(66)<=>C3H5(102)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1259; RMG #1259 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C9H17LR(67)<=>C3H5(102)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1260; RMG #1260 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C9H17LR(68)<=>C3H5(102)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1261; RMG #1261 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C3H6(18), C3H5(102); +! From training reaction 999 used for C/H3/Cd\H_Cd\H2;C_rad/Cs3 +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C9H17LR(69)<=>C3H5(102)+RC10L(1) 1.014000e-03 4.340 3.700 + +! Reaction index: Chemkin #1262; RMG #1262 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C9H17LR(70)<=>C3H5(102)+RC10L(1) 2.961350e-04 4.545 4.565 + +! Reaction index: Chemkin #1263; RMG #1263 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C9H17LR(71)<=>C3H5(102)+RC10L(1) 2.961350e-04 4.545 4.565 + +! Reaction index: Chemkin #1264; RMG #1264 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C3H6(18), C3H5(102); +! From training reaction 999 used for C/H3/Cd\H_Cd\H2;C_rad/Cs3 +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C9H17LR(72)<=>C3H5(102)+RC10L(1) 1.014000e-03 4.340 3.700 + +! Reaction index: Chemkin #1265; RMG #1265 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C9H17LR(73)<=>C3H5(102)+RC10L(1) 2.961350e-04 4.545 4.565 + +! Reaction index: Chemkin #1266; RMG #1266 +! Template reaction: H_Abstraction +! Flux pairs: C3H6(18), C3H5(102); CH3(74), C(75); +! Matched reaction 757 CH3_r3 + C3H6 <=> CH4b + C3H5 in H_Abstraction/training +! This reaction matched rate rule [C/H3/Cd\H_Cd\H2;C_methyl] +! family: H_Abstraction +CH3(74)+C3H6(18)<=>C(75)+C3H5(102) 7.200000e-02 4.250 7.530 + +! Reaction index: Chemkin #1267; RMG #1267 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C10H20L(76)<=>C3H5(102)+LC10(3) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1268; RMG #1268 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); C3H5(102), C3H6(18); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5(102)+C5H9L(57)<=>C3H6(18)+C5H8L(77) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #1269; RMG #1269 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(77), C5H9L(84); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C5H8L(77)<=>C3H5(102)+C5H9L(84) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #1270; RMG #1270 +! Template reaction: H_Abstraction +! Flux pairs: C3H6(18), C3H5(102); C3H4R(78), C3H5R(12); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4R(78)+C3H6(18)<=>C3H5R(12)+C3H5(102) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #1271; RMG #1271 +! Template reaction: H_Abstraction +! Flux pairs: C3H6(18), C3H5(102); C3H4R(78), C3H5R(58); +! From training reaction 3027 used for C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4R(78)+C3H6(18)<=>C3H5R(58)+C3H5(102) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #1272; RMG #1272 +! Template reaction: H_Abstraction +! Flux pairs: C4H6R(79), C4H7R(60); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C4H6R(79)<=>C3H5(102)+C4H7R(60) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #1273; RMG #1273 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(81), C4H6R(79); C3H5(102), C3H6(18); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +C3H5(102)+C4H7R(81)<=>C3H6(18)+C4H6R(79) 1.740000e-02 4.340 13.600 + +! Reaction index: Chemkin #1274; RMG #1274 +! Template reaction: H_Abstraction +! Flux pairs: C3H6(18), C3H5(102); H(82), [H][H](83); +! Matched reaction 755 H + C3H6 <=> H2 + C3H5 in H_Abstraction/training +! This reaction matched rate rule [C/H3/Cd\H_Cd\H2;H_rad] +! family: H_Abstraction +H(82)+C3H6(18)<=>[H][H](83)+C3H5(102) 3.360000e+03 3.140 4.290 + +! Reaction index: Chemkin #1275; RMG #1275 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C7H15(85)<=>C3H5(102)+CC(C)CC(C)C(87) 2.961350e-04 4.545 4.565 + +! Reaction index: Chemkin #1276; RMG #1276 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(24); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C5H8L(89)<=>C3H5(102)+C5H9L(24) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #1277; RMG #1277 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(57); C3H6(18), C3H5(102); +! From training reaction 3027 used for C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C5H8L(89)<=>C3H5(102)+C5H9L(57) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #1278; RMG #1278 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C3H5(102), C3H6(18); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5(102)+C6H11R(56)<=>C3H6(18)+C6H10R(90) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #1279; RMG #1279 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C6H10R(90)<=>C3H5(102)+C6H11R(98) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #1280; RMG #1280 +! Template reaction: H_Abstraction +! Flux pairs: CCC(95), C[CH]C(94); C3H5(102), C3H6(18); +! Matched reaction 913 C3H5 + C3H8 <=> C3H6 + C3H7 in H_Abstraction/training +! This reaction matched rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/Cs\H3/Cs\H3] +! family: H_Abstraction +C3H5(102)+CCC(95)<=>C3H6(18)+C[CH]C(94) 5.840000e-02 4.340 16.600 + +! Reaction index: Chemkin #1281; RMG #1281 +! Library reaction: restart +! Flux pairs: H(82), C6H11L(63); C6H10L(103), C6H11L(63); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R +H(82)+C6H10L(103)<=>C6H11L(63) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1282; RMG #1282 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H10L(103)<=>C3H5R(12)+C6H11L(63) 1.225850e+27 -4.376 7.050 + +! Reaction index: Chemkin #1283; RMG #1283 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C6H10L(103)<=>C3H6(18)+C6H11L(63) 2.451710e+27 -4.376 6.946 + +! Reaction index: Chemkin #1284; RMG #1284 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H10L(103)<=>C2H3L(19)+C6H11L(63) 1.225850e+27 -4.376 7.050 + +! Reaction index: Chemkin #1285; RMG #1285 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H10L(103)<=>C3H5R(58)+C6H11L(63) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1286; RMG #1286 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C6H10L(103)<=>C3H5L(59)+C6H11L(63) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1287; RMG #1287 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H10L(103); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H11L(63)<=>CC(C)L(13)+C6H10L(103) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1288; RMG #1288 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H10L(103); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C6H11L(63)<=>CCL(26)+C6H10L(103) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1289; RMG #1289 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H10L(103); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C6H11L(63)<=>CR(22)+C6H10L(103) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1290; RMG #1290 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C[CH]CC(C)CR(5)<=>C6H11L(63)+C6H11R(17) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #1291; RMG #1291 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H10L(103)<=>C5H9L(24)+C6H11L(63) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #1292; RMG #1292 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C6H10L(103)<=>C4H7R(60)+C6H11L(63) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1293; RMG #1293 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10L(103)+C7H14R(9)<=>C6H11L(63)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1294; RMG #1294 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10L(103)+C6H12L(11)<=>C6H11L(63)+C6H11L(63) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1295; RMG #1295 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11L(63)+C10H20R(64)<=>C6H10L(103)+RC10(2) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1296; RMG #1296 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H10L(103); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C6H11L(63)<=>CCCR(27)+C6H10L(103) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1297; RMG #1297 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H10L(103); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H11L(63)<=>CCCC(C)L(16)+C6H10L(103) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1298; RMG #1298 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C8H16L(15)<=>C6H11L(63)+C8H15L(21) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #1299; RMG #1299 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C[CH]CC(C)CR(5)<=>C6H11L(63)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1300; RMG #1300 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H10L(103)<=>C5H9L(57)+C6H11L(63) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1301; RMG #1301 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C8H16L(15)<=>C6H11L(63)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1302; RMG #1302 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H10L(103); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H11L(63)<=>CC(C)CR(20)+C6H10L(103) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1303; RMG #1303 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11L(63)+C[CH]CC(C)CR(5)<=>C6H10L(103)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1304; RMG #1304 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11L(63)+C7H14R(9)<=>C6H10L(103)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1305; RMG #1305 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11L(63)+C6H12L(11)<=>C6H10L(103)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1306; RMG #1306 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11L(63)+C8H16L(15)<=>C6H10L(103)+C8H17L(49) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1307; RMG #1307 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C6H10L(103), C6H11L(63); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(103)+RC10L(1)<=>C6H11L(63)+C9H17LR(65) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #1308; RMG #1308 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11L(63)+C9H17LR(66)<=>C6H10L(103)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1309; RMG #1309 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11L(63)+C9H17LR(67)<=>C6H10L(103)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1310; RMG #1310 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11L(63)+C9H17LR(68)<=>C6H10L(103)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1311; RMG #1311 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C6H10L(103), C6H11L(63); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(103)+RC10L(1)<=>C6H11L(63)+C9H17LR(69) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #1312; RMG #1312 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11L(63)+C9H17LR(70)<=>C6H10L(103)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1313; RMG #1313 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11L(63)+C9H17LR(71)<=>C6H10L(103)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1314; RMG #1314 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C6H10L(103), C6H11L(63); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(103)+RC10L(1)<=>C6H11L(63)+C9H17LR(72) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #1315; RMG #1315 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11L(63)+C9H17LR(73)<=>C6H10L(103)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1316; RMG #1316 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C6H10L(103)<=>CH3(74)+C6H11L(63) 4.240000e-02 4.340 24.900 + +! Reaction index: Chemkin #1317; RMG #1317 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11L(63)+C10H20L(76)<=>C6H10L(103)+LC10(3) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1318; RMG #1318 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); C5H9L(57), C5H8L(77); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C6H10L(103)<=>C5H8L(77)+C6H11L(63) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1319; RMG #1319 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H10L(103); C5H8L(77), C5H9L(84); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(77)+C6H11L(63)<=>C5H9L(84)+C6H10L(103) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1320; RMG #1320 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H10L(103); C3H4R(78), C3H5R(12); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C6H11L(63)<=>C3H5R(12)+C6H10L(103) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1321; RMG #1321 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H10L(103); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C6H11L(63)<=>C3H5R(58)+C6H10L(103) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1322; RMG #1322 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H10L(103); C4H6R(79), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C6H11L(63)<=>C4H7R(60)+C6H10L(103) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1323; RMG #1323 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H10L(103); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C6H11L(63)<=>C4H7R(81)+C6H10L(103) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1324; RMG #1324 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); [H][H](83), H(82); +! From training reaction 790 used for H2;C_rad/H/CdCs +! Exact match found for rate rule [H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[H][H](83)+C6H10L(103)<=>H(82)+C6H11L(63) 4.580000e-02 4.340 22.200 + +! Reaction index: Chemkin #1325; RMG #1325 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11L(63)+C7H15(85)<=>C6H10L(103)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1326; RMG #1326 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C6H10L(103)<=>C5H8L(89)+C6H11L(63) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1327; RMG #1327 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H10L(103); C5H8L(89), C5H9L(57); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C6H11L(63)<=>C5H9L(57)+C6H10L(103) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1328; RMG #1328 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H11L(63); C6H10L(103), C6H10R(90); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(103)+C6H11R(56)<=>C6H10R(90)+C6H11L(63) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1329; RMG #1329 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H11R(98); C6H10R(90), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(90)+C6H11L(63)<=>C6H10L(103)+C6H11R(98) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1330; RMG #1330 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C6H10L(103)<=>C[CH]C(94)+C6H11L(63) 1.476000e-02 4.340 18.000 + +! Reaction index: Chemkin #1331; RMG #1331 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C6H10L(103)<=>C3H5(102)+C6H11L(63) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #1332; RMG #1332 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CH3(74), C6H10L(103); C5H7L(104), C6H10L(103); +! From training reaction 471 used for Cds-CsH_Cds-CdH;CsJ-HHH +! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-HHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +CH3(74)+C5H7L(104)<=>C6H10L(103) 1.130000e+04 2.410 4.000 + +! Reaction index: Chemkin #1333; RMG #1333 +! Library reaction: restart +! Flux pairs: C3H4R(78), C6H9R(105); C3H5(102), C6H9R(105); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C3H5(102)<=>C6H9R(105) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #1334; RMG #1334 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C[CH]L(8), C7H11L2(106); C5H7L(104), C7H11L2(106); +! From training reaction 293 used for Cds-HH_Cds-CdCs;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]L(8)+C5H7L(104)<=>C7H11L2(106) 2.180000e+03 2.410 0.340 + +! Reaction index: Chemkin #1335; RMG #1335 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C6H11L(107), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(65)<=>C6H10L(103)+RC10L(1) 5.136920e-04 4.418 3.856 + +! Reaction index: Chemkin #1336; RMG #1336 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C6H11L(107), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(69)<=>C6H10L(103)+RC10L(1) 5.136920e-04 4.418 3.856 + +! Reaction index: Chemkin #1337; RMG #1337 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H11L(107), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(66)<=>C6H10L(103)+RC10L(1) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1338; RMG #1338 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H11L(107), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(68)<=>C6H10L(103)+RC10L(1) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1339; RMG #1339 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C6H11L(107), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(72)<=>C6H10L(103)+RC10L(1) 5.136920e-04 4.418 3.856 + +! Reaction index: Chemkin #1340; RMG #1340 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H11L(107), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(73)<=>C6H10L(103)+RC10L(1) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1341; RMG #1341 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H11L(107), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(71)<=>C6H10L(103)+RC10L(1) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1342; RMG #1342 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H11L(107), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(67)<=>C6H10L(103)+RC10L(1) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1343; RMG #1343 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H11L(107), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(70)<=>C6H10L(103)+RC10L(1) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1344; RMG #1344 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H11L(107), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H11L(107)+C10H20R(64)<=>C6H10L(103)+RC10(2) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1345; RMG #1345 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H11L(107), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H11L(107)+C10H20L(76)<=>C6H10L(103)+LC10(3) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1346; RMG #1346 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(107); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C6H10L(103)<=>C3H4R(78)+C6H11L(107) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1347; RMG #1347 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H11L(107)<=>CC(C)L(13)+C6H10L(103) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1348; RMG #1348 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H11L(107)<=>CCCC(C)L(16)+C6H10L(103) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1349; RMG #1349 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); C3H5(102), C3H6(18); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +C3H5(102)+C6H11L(107)<=>C3H6(18)+C6H10L(103) 1.740000e-02 4.340 13.600 + +! Reaction index: Chemkin #1350; RMG #1350 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H11L(107)<=>CC(C)CR(20)+C6H10L(103) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1351; RMG #1351 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]R(14)+C6H11L(107)<=>CR(22)+C6H10L(103) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1352; RMG #1352 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H11L(107), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H11L(107)+C7H14R(9)<=>C6H10L(103)+CC(C)CC(C)CR(23) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1353; RMG #1353 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(107); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C6H10L(103)<=>C5H8L(89)+C6H11L(107) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1354; RMG #1354 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H11L(107), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H11L(107)+C6H12L(11)<=>C6H10L(103)+CC(C)CC(C)L(25) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1355; RMG #1355 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C[CH]L(8)+C6H11L(107)<=>CCL(26)+C6H10L(103) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1356; RMG #1356 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C[CH]CR(10)+C6H11L(107)<=>CCCR(27)+C6H10L(103) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1357; RMG #1357 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H11L(107), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H11L(107)+C[CH]CC(C)CR(5)<=>C6H10L(103)+CCCC(C)CR(32) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1358; RMG #1358 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H11L(107); C6H10L(103), C6H10R(90); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(103)+C6H11R(56)<=>C6H10R(90)+C6H11L(107) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #1359; RMG #1359 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(107); C5H9L(57), C5H8L(77); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C6H10L(103)<=>C5H8L(77)+C6H11L(107) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #1360; RMG #1360 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); C5H8L(89), C5H9L(57); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C5H8L(89)+C6H11L(107)<=>C5H9L(57)+C6H10L(103) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #1361; RMG #1361 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H4R(78)+C6H11L(107)<=>C3H5R(58)+C6H10L(103) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #1362; RMG #1362 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(107); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C6H10L(103)<=>C4H6R(79)+C6H11L(107) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1363; RMG #1363 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H11L(107); C6H10L(103), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C6H11L(63)<=>C6H10L(103)+C6H11L(107) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1364; RMG #1364 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); CH3(74), C(75); +! Estimated using an average for rate rule [C/H3/Cd;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CH3(74)+C6H11L(107)<=>C(75)+C6H10L(103) 1.350560e-01 4.253 7.537 + +! Reaction index: Chemkin #1365; RMG #1365 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H6R(79)+C6H11L(107)<=>C4H7R(81)+C6H10L(103) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #1366; RMG #1366 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H3/Cd;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +H(82)+C6H11L(107)<=>[H][H](83)+C6H10L(103) 6.100680e+03 3.153 4.317 + +! Reaction index: Chemkin #1367; RMG #1367 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(107); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C6H10L(103)<=>C5H8L(77)+C6H11L(107) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1368; RMG #1368 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H11L(107), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H11L(107)+C7H15(85)<=>C6H10L(103)+CC(C)CC(C)C(87) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1369; RMG #1369 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); C[CH]C(94), CCC(95); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C[CH]C(94)+C6H11L(107)<=>CCC(95)+C6H10L(103) 2.016000e-03 4.340 4.700 + +! Reaction index: Chemkin #1370; RMG #1370 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(98), C6H11L(107); C6H10L(103), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C6H11R(98)<=>C6H10R(90)+C6H11L(107) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1371; RMG #1371 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H10L(103)<=>C3H5R(58)+C6H11L(107) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1372; RMG #1372 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H10L(103)<=>C3H5R(12)+C6H11L(107) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #1373; RMG #1373 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H10L(103)<=>C2H3L(19)+C6H11L(107) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #1374; RMG #1374 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H11L(107), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H11L(107)+C8H16L(15)<=>C6H10L(103)+C8H17L(49) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1375; RMG #1375 +! Library reaction: restart +! Flux pairs: H(82), C6H11L(107); C6H10L(103), C6H11L(107); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- +! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing +H(82)+C6H10L(103)<=>C6H11L(107) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #1376; RMG #1376 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11L(107); C6H10L(103), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C[CH]CC(C)CR(5)<=>C6H11R(17)+C6H11L(107) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #1377; RMG #1377 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C6H10L(103)<=>C3H6(18)+C6H11L(107) 2.451710e+27 -4.376 6.166 + +! Reaction index: Chemkin #1378; RMG #1378 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C8H16L(15)<=>C6H11L(107)+C8H15L(21) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #1379; RMG #1379 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H10L(103)<=>C5H9L(24)+C6H11L(107) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #1380; RMG #1380 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C[CH]CC(C)CR(5)<=>C6H11L(107)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1381; RMG #1381 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H10L(103)<=>C5H9L(57)+C6H11L(107) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1382; RMG #1382 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C6H10L(103)<=>C3H5L(59)+C6H11L(107) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #1383; RMG #1383 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+C6H10L(103)<=>C4H7R(60)+C6H11L(107) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #1384; RMG #1384 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C8H16L(15)<=>C6H11L(107)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1385; RMG #1385 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H10L(103)+C7H14R(9)<=>C6H11L(107)+C7H13R(62) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #1386; RMG #1386 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(107); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H10L(103)+C6H12L(11)<=>C6H11L(63)+C6H11L(107) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #1387; RMG #1387 +! Library reaction: restart +! Flux pairs: H(82), C7H13R(62); C7H12R(108), C7H13R(62); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R +H(82)+C7H12R(108)<=>C7H13R(62) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1388; RMG #1388 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C7H12R(108)<=>C3H5R(12)+C7H13R(62) 1.225850e+27 -4.376 7.050 + +! Reaction index: Chemkin #1389; RMG #1389 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C7H12R(108)<=>C3H6(18)+C7H13R(62) 2.451710e+27 -4.376 6.946 + +! Reaction index: Chemkin #1390; RMG #1390 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C7H12R(108)<=>C2H3L(19)+C7H13R(62) 1.225850e+27 -4.376 7.050 + +! Reaction index: Chemkin #1391; RMG #1391 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C7H12R(108)<=>C3H5R(58)+C7H13R(62) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1392; RMG #1392 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C7H12R(108)<=>C3H5L(59)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1393; RMG #1393 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C7H13R(62)<=>CC(C)L(13)+C7H12R(108) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1394; RMG #1394 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C7H13R(62)<=>CCL(26)+C7H12R(108) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1395; RMG #1395 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C7H13R(62)<=>CR(22)+C7H12R(108) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1396; RMG #1396 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C7H12R(108)<=>C6H11R(17)+C7H13R(62) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #1397; RMG #1397 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C7H12R(108)<=>C5H9L(24)+C7H13R(62) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #1398; RMG #1398 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C7H12R(108)<=>C4H7R(60)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1399; RMG #1399 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H12R(108)+C7H14R(9)<=>C7H13R(62)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1400; RMG #1400 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C7H12R(108)<=>C6H11L(63)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1401; RMG #1401 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C7H13R(62), C7H12R(108); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H13R(62)+C10H20R(64)<=>C7H12R(108)+RC10(2) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1402; RMG #1402 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C7H13R(62)<=>CC(C)CR(20)+C7H12R(108) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1403; RMG #1403 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C7H13R(62)<=>CCCR(27)+C7H12R(108) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1404; RMG #1404 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)CR(5)+C7H13R(62)<=>CCCC(C)CR(32)+C7H12R(108) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1405; RMG #1405 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C7H13R(62), C7H12R(108); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H13R(62)+C7H14R(9)<=>C7H12R(108)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1406; RMG #1406 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C7H13R(62)<=>CCCC(C)L(16)+C7H12R(108) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1407; RMG #1407 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H12L(11)+C7H13R(62)<=>CC(C)CC(C)L(25)+C7H12R(108) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1408; RMG #1408 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C7H13R(62), C7H12R(108); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H13R(62)+C8H16L(15)<=>C7H12R(108)+C8H17L(49) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1409; RMG #1409 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C8H16L(15)<=>C7H13R(62)+C8H15L(21) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #1410; RMG #1410 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C7H12R(108)<=>C6H11R(56)+C7H13R(62) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1411; RMG #1411 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C7H12R(108)<=>C5H9L(57)+C7H13R(62) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1412; RMG #1412 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(108)+C8H16L(15)<=>C7H13R(62)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1413; RMG #1413 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C7H12R(108), C7H13R(62); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H12R(108)+RC10L(1)<=>C7H13R(62)+C9H17LR(65) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #1414; RMG #1414 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C7H13R(62), C7H12R(108); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H13R(62)+C9H17LR(66)<=>C7H12R(108)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1415; RMG #1415 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C7H13R(62), C7H12R(108); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H13R(62)+C9H17LR(67)<=>C7H12R(108)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1416; RMG #1416 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C7H13R(62), C7H12R(108); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H13R(62)+C9H17LR(68)<=>C7H12R(108)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1417; RMG #1417 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C7H12R(108), C7H13R(62); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H12R(108)+RC10L(1)<=>C7H13R(62)+C9H17LR(69) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #1418; RMG #1418 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C7H13R(62), C7H12R(108); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H13R(62)+C9H17LR(70)<=>C7H12R(108)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1419; RMG #1419 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C7H13R(62), C7H12R(108); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H13R(62)+C9H17LR(71)<=>C7H12R(108)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1420; RMG #1420 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C7H12R(108), C7H13R(62); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H12R(108)+RC10L(1)<=>C7H13R(62)+C9H17LR(72) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #1421; RMG #1421 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C7H13R(62), C7H12R(108); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H13R(62)+C9H17LR(73)<=>C7H12R(108)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1422; RMG #1422 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C7H12R(108)<=>CH3(74)+C7H13R(62) 4.240000e-02 4.340 24.900 + +! Reaction index: Chemkin #1423; RMG #1423 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C7H13R(62), C7H12R(108); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H13R(62)+C10H20L(76)<=>C7H12R(108)+LC10(3) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1424; RMG #1424 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C5H9L(57), C5H8L(77); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C7H12R(108)<=>C5H8L(77)+C7H13R(62) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1425; RMG #1425 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C5H8L(77), C5H9L(84); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(77)+C7H13R(62)<=>C5H9L(84)+C7H12R(108) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1426; RMG #1426 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C3H4R(78), C3H5R(12); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C7H13R(62)<=>C3H5R(12)+C7H12R(108) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1427; RMG #1427 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C7H13R(62)<=>C3H5R(58)+C7H12R(108) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1428; RMG #1428 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C4H6R(79), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C7H13R(62)<=>C4H7R(60)+C7H12R(108) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1429; RMG #1429 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C7H13R(62)<=>C4H7R(81)+C7H12R(108) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1430; RMG #1430 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); [H][H](83), H(82); +! From training reaction 790 used for H2;C_rad/H/CdCs +! Exact match found for rate rule [H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[H][H](83)+C7H12R(108)<=>H(82)+C7H13R(62) 4.580000e-02 4.340 22.200 + +! Reaction index: Chemkin #1431; RMG #1431 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C7H13R(62), C7H12R(108); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H13R(62)+C7H15(85)<=>C7H12R(108)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1432; RMG #1432 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C7H12R(108)<=>C5H8L(89)+C7H13R(62) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1433; RMG #1433 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C5H8L(89), C5H9L(57); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C7H13R(62)<=>C5H9L(57)+C7H12R(108) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1434; RMG #1434 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C6H11R(56), C6H10R(90); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C7H12R(108)<=>C6H10R(90)+C7H13R(62) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1435; RMG #1435 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C6H10R(90), C6H11R(98); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(90)+C7H13R(62)<=>C6H11R(98)+C7H12R(108) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1436; RMG #1436 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C7H12R(108)<=>C[CH]C(94)+C7H13R(62) 1.476000e-02 4.340 18.000 + +! Reaction index: Chemkin #1437; RMG #1437 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C7H12R(108)<=>C3H5(102)+C7H13R(62) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #1438; RMG #1438 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11L(63)+C7H12R(108)<=>C6H10L(103)+C7H13R(62) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1439; RMG #1439 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C6H10L(103), C6H11L(107); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C7H13R(62)<=>C6H11L(107)+C7H12R(108) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1440; RMG #1440 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H12R(109); +! Estimated from node Backbone0 +C7H12R(108)<=>C7H12R(109) 1.014560e+05 2.304 30.391 + +! Reaction index: Chemkin #1441; RMG #1441 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: [CH2]R(14), C7H12R(108); C6H10(110), C7H12R(108); +! From training reaction 472 used for Cds-CsH_Cds-CdH;CsJ-CsHH +! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-CsHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +[CH2]R(14)+C6H10(110)<=>C7H12R(108) 1.150000e+03 2.410 3.430 + +! Reaction index: Chemkin #1442; RMG #1442 +! Library reaction: restart +! Flux pairs: C3H4R(78), C6H9R(111); C3H5(102), C6H9R(111); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C3H5(102)<=>C6H9R(111) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #1443; RMG #1443 +! Library reaction: restart +! Flux pairs: H(82), C8H15L(61); C8H14L(112), C8H15L(61); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R_Ext-5R!H-R_Ext-3R!H-R +H(82)+C8H14L(112)<=>C8H15L(61) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #1444; RMG #1444 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C8H14L(112)<=>C3H5R(12)+C8H15L(61) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #1445; RMG #1445 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C8H14L(112)<=>C3H6(18)+C8H15L(61) 2.451710e+27 -4.376 7.254 + +! Reaction index: Chemkin #1446; RMG #1446 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C8H14L(112)<=>C2H3L(19)+C8H15L(61) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #1447; RMG #1447 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C8H14L(112)<=>C3H5R(58)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1448; RMG #1448 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C8H14L(112)<=>C3H5L(59)+C8H15L(61) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1449; RMG #1449 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CR(10)+C8H15L(61)<=>CCCR(27)+C8H14L(112) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1450; RMG #1450 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]L(8)+C8H15L(61)<=>CCL(26)+C8H14L(112) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1451; RMG #1451 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C8H14L(112)<=>C6H11R(17)+C8H15L(61) 1.225850e+27 -4.376 7.170 + +! Reaction index: Chemkin #1452; RMG #1452 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C8H14L(112), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H14L(112)+C8H16L(15)<=>C8H15L(21)+C8H15L(61) 1.225850e+27 -4.376 7.170 + +! Reaction index: Chemkin #1453; RMG #1453 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C8H14L(112)<=>C5H9L(24)+C8H15L(61) 1.225850e+27 -4.376 7.170 + +! Reaction index: Chemkin #1454; RMG #1454 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C8H14L(112)<=>C6H11R(56)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1455; RMG #1455 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C8H14L(112)<=>C5H9L(57)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1456; RMG #1456 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C8H14L(112)<=>C4H7R(60)+C8H15L(61) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1457; RMG #1457 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H14L(112)+C8H16L(15)<=>C8H15L(61)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1458; RMG #1458 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C8H14L(112)<=>C7H13R(62)+C8H15L(61) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1459; RMG #1459 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C8H14L(112)<=>C6H11L(63)+C8H15L(61) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1460; RMG #1460 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)L(4)+C8H15L(61)<=>CC(C)L(13)+C8H14L(112) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1461; RMG #1461 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H12L(11)+C8H15L(61)<=>CC(C)CC(C)L(25)+C8H14L(112) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1462; RMG #1462 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]R(14)+C8H15L(61)<=>CR(22)+C8H14L(112) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1463; RMG #1463 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C8H15L(61), C8H14L(112); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C8H15L(61)+C10H20R(64)<=>C8H14L(112)+RC10(2) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1464; RMG #1464 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C8H15L(61), C8H14L(112); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C8H15L(61)+C9H17LR(65)<=>C8H14L(112)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #1465; RMG #1465 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C8H15L(61), C8H14L(112); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C8H15L(61)+C9H17LR(66)<=>C8H14L(112)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1466; RMG #1466 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C8H15L(61), C8H14L(112); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C8H15L(61)+C9H17LR(67)<=>C8H14L(112)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1467; RMG #1467 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C8H15L(61)<=>CC(C)CR(20)+C8H14L(112) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1468; RMG #1468 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CC(C)CR(5)+C8H15L(61)<=>CCCC(C)CR(32)+C8H14L(112) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1469; RMG #1469 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H14R(9)+C8H15L(61)<=>CC(C)CC(C)CR(23)+C8H14L(112) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1470; RMG #1470 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C8H15L(61)<=>CCCC(C)L(16)+C8H14L(112) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1471; RMG #1471 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C8H15L(61), C8H14L(112); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C8H15L(61)+C9H17LR(68)<=>C8H14L(112)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1472; RMG #1472 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C8H15L(61), C8H14L(112); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C8H15L(61)+C9H17LR(69)<=>C8H14L(112)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #1473; RMG #1473 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C8H15L(61), C8H14L(112); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C8H15L(61)+C8H16L(15)<=>C8H14L(112)+C8H17L(49) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1474; RMG #1474 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C8H15L(61), C8H14L(112); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C8H15L(61)+C9H17LR(70)<=>C8H14L(112)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1475; RMG #1475 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C8H15L(61), C8H14L(112); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C8H15L(61)+C9H17LR(71)<=>C8H14L(112)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1476; RMG #1476 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C8H15L(61), C8H14L(112); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C8H15L(61)+C9H17LR(72)<=>C8H14L(112)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #1477; RMG #1477 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C8H15L(61), C8H14L(112); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C8H15L(61)+C9H17LR(73)<=>C8H14L(112)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1478; RMG #1478 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); CH3(74), C(75); +! From training reaction 1082 used for C/H/Cs2Cd;C_methyl +! Exact match found for rate rule [C/H/Cs2Cd;C_methyl] +! Euclidian distance = 0 +! family: H_Abstraction +CH3(74)+C8H15L(61)<=>C(75)+C8H14L(112) 5.870000e-03 4.340 2.200 + +! Reaction index: Chemkin #1479; RMG #1479 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C8H15L(61), C8H14L(112); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C8H15L(61)+C10H20L(76)<=>C8H14L(112)+LC10(3) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1480; RMG #1480 +! Template reaction: H_Abstraction +! Flux pairs: C8H14L(112), C8H15L(61); C5H9L(57), C5H8L(77); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C8H14L(112)<=>C5H8L(77)+C8H15L(61) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #1481; RMG #1481 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C5H8L(77), C5H9L(84); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(77)+C8H15L(61)<=>C5H9L(84)+C8H14L(112) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1482; RMG #1482 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C3H4R(78), C3H5R(12); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+C8H15L(61)<=>C3H5R(12)+C8H14L(112) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1483; RMG #1483 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C3H4R(78), C3H5R(58); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+C8H15L(61)<=>C3H5R(58)+C8H14L(112) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #1484; RMG #1484 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C4H6R(79), C4H7R(60); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6R(79)+C8H15L(61)<=>C4H7R(60)+C8H14L(112) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1485; RMG #1485 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6R(79)+C8H15L(61)<=>C4H7R(81)+C8H14L(112) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #1486; RMG #1486 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); H(82), [H][H](83); +! From training reaction 1081 used for C/H/Cs2Cd;H_rad +! Exact match found for rate rule [C/H/Cs2Cd;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(82)+C8H15L(61)<=>[H][H](83)+C8H14L(112) 2.480000e-01 4.340 0.100 + +! Reaction index: Chemkin #1487; RMG #1487 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C7H15(85), CC(C)CC(C)C(87); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H15(85)+C8H15L(61)<=>CC(C)CC(C)C(87)+C8H14L(112) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #1488; RMG #1488 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C5H8L(89), C5H9L(24); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+C8H15L(61)<=>C5H9L(24)+C8H14L(112) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1489; RMG #1489 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C5H8L(89), C5H9L(57); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+C8H15L(61)<=>C5H9L(57)+C8H14L(112) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #1490; RMG #1490 +! Template reaction: H_Abstraction +! Flux pairs: C8H14L(112), C8H15L(61); C6H11R(56), C6H10R(90); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C8H14L(112)<=>C6H10R(90)+C8H15L(61) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #1491; RMG #1491 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C6H10R(90), C6H11R(98); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(90)+C8H15L(61)<=>C6H11R(98)+C8H14L(112) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1492; RMG #1492 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C[CH]C(94), CCC(95); +! From training reaction 1084 used for C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]C(94)+C8H15L(61)<=>CCC(95)+C8H14L(112) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #1493; RMG #1493 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C3H5(102), C3H6(18); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5(102)+C8H15L(61)<=>C3H6(18)+C8H14L(112) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #1494; RMG #1494 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C6H10L(103), C6H11L(63); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(103)+C8H15L(61)<=>C6H11L(63)+C8H14L(112) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1495; RMG #1495 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C6H10L(103), C6H11L(107); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(103)+C8H15L(61)<=>C6H11L(107)+C8H14L(112) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #1496; RMG #1496 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C7H12R(108), C7H13R(62); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H12R(108)+C8H15L(61)<=>C7H13R(62)+C8H14L(112) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1497; RMG #1497 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C[CH]L(8), C8H14L(112); C6H10(110), C8H14L(112); +! From training reaction 293 used for Cds-HH_Cds-CdCs;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]L(8)+C6H10(110)<=>C8H14L(112) 2.180000e+03 2.410 0.340 + +! Reaction index: Chemkin #1498; RMG #1498 +! Library reaction: restart +! Flux pairs: H(82), C6H10(110); C6H9(113), C6H10(110); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- +! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing +H(82)+C6H9(113)<=>C6H10(110) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #1499; RMG #1499 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H10(110)<=>CC(C)CR(20)+C6H9(113) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #1500; RMG #1500 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]CR(10)+C6H10(110)<=>CCCR(27)+C6H9(113) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1501; RMG #1501 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C[CH]CC(C)CR(5)<=>C6H9(113)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1502; RMG #1502 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H10(110)<=>CC(C)L(13)+C6H9(113) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #1503; RMG #1503 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C7H14R(9)<=>C6H9(113)+CC(C)CC(C)CR(23) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #1504; RMG #1504 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H10(110)<=>CCCC(C)L(16)+C6H9(113) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1505; RMG #1505 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]L(8)+C6H10(110)<=>CCL(26)+C6H9(113) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1506; RMG #1506 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C6H12L(11)<=>C6H9(113)+CC(C)CC(C)L(25) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #1507; RMG #1507 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H9(113)<=>C3H5R(12)+C6H10(110) 1.225850e+27 -4.376 8.296 + +! Reaction index: Chemkin #1508; RMG #1508 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]R(14)+C6H10(110)<=>CR(22)+C6H9(113) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #1509; RMG #1509 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C[CH]CC(C)CR(5)<=>C6H10(110)+C6H11R(17) 1.225850e+27 -4.376 8.091 + +! Reaction index: Chemkin #1510; RMG #1510 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C6H9(113)<=>C3H6(18)+C6H10(110) 2.451710e+27 -4.376 8.181 + +! Reaction index: Chemkin #1511; RMG #1511 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H9(113)<=>C2H3L(19)+C6H10(110) 1.225850e+27 -4.376 8.296 + +! Reaction index: Chemkin #1512; RMG #1512 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C8H16L(15)<=>C6H10(110)+C8H15L(21) 1.225850e+27 -4.376 8.091 + +! Reaction index: Chemkin #1513; RMG #1513 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H9(113)<=>C5H9L(24)+C6H10(110) 1.225850e+27 -4.376 8.091 + +! Reaction index: Chemkin #1514; RMG #1514 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(113)+C[CH]CC(C)CR(5)<=>C6H10(110)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1515; RMG #1515 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H9(113)<=>C5H9L(57)+C6H10(110) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1516; RMG #1516 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H9(113)<=>C3H5R(58)+C6H10(110) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1517; RMG #1517 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C6H9(113)<=>C3H5L(59)+C6H10(110) 7.830000e+11 0.000 0.230 + +! Reaction index: Chemkin #1518; RMG #1518 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+C6H9(113)<=>C4H7R(60)+C6H10(110) 7.830000e+11 0.000 0.230 + +! Reaction index: Chemkin #1519; RMG #1519 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(113)+C8H16L(15)<=>C6H10(110)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1520; RMG #1520 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H9(113)+C7H14R(9)<=>C6H10(110)+C7H13R(62) 7.830000e+11 0.000 0.188 + +! Reaction index: Chemkin #1521; RMG #1521 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H9(113)+C6H12L(11)<=>C6H10(110)+C6H11L(63) 7.830000e+11 0.000 0.188 + +! Reaction index: Chemkin #1522; RMG #1522 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C9H17LR(67)<=>C6H9(113)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1523; RMG #1523 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C9H17LR(70)<=>C6H9(113)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #1524; RMG #1524 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(113), C6H10(110); C(75), CH3(74); +! From training reaction 829 used for C_methane;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C_methane;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C6H9(113)<=>CH3(74)+C6H10(110) 5.600000e-02 4.340 25.430 + +! Reaction index: Chemkin #1525; RMG #1525 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(113), C6H10(110); C5H9L(57), C5H8L(77); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C6H9(113)<=>C5H8L(77)+C6H10(110) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #1526; RMG #1526 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C5H8L(77), C5H9L(84); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8L(77)+C6H10(110)<=>C5H9L(84)+C6H9(113) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #1527; RMG #1527 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C3H4R(78), C3H5R(12); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4R(78)+C6H10(110)<=>C3H5R(12)+C6H9(113) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #1528; RMG #1528 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4R(78)+C6H10(110)<=>C3H5R(58)+C6H9(113) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #1529; RMG #1529 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C4H6R(79), C4H7R(60); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H6R(79)+C6H10(110)<=>C4H7R(60)+C6H9(113) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #1530; RMG #1530 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H6R(79)+C6H10(110)<=>C4H7R(81)+C6H9(113) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #1531; RMG #1531 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(113), C6H10(110); [H][H](83), H(82); +! From training reaction 789 used for H2;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [H2;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +! Ea raised from 102.7 to 103.8 kJ/mol to match endothermicity of reaction. +[H][H](83)+C6H9(113)<=>H(82)+C6H10(110) 6.060000e-02 4.340 24.813 + +! Reaction index: Chemkin #1532; RMG #1532 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C7H15(85)<=>C6H9(113)+CC(C)CC(C)C(87) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #1533; RMG #1533 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C5H8L(89), C5H9L(24); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8L(89)+C6H10(110)<=>C5H9L(24)+C6H9(113) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #1534; RMG #1534 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C5H8L(89), C5H9L(57); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8L(89)+C6H10(110)<=>C5H9L(57)+C6H9(113) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #1535; RMG #1535 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C6H9(113), C6H10(110); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(113)+C6H11R(56)<=>C6H10(110)+C6H10R(90) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #1536; RMG #1536 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C6H10R(90)<=>C6H9(113)+C6H11R(98) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #1537; RMG #1537 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(113), C6H10(110); CCC(95), C[CH]C(94); +! From training reaction 913 used for C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C6H9(113)<=>C[CH]C(94)+C6H10(110) 2.920000e-02 4.340 18.905 + +! Reaction index: Chemkin #1538; RMG #1538 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(113), C6H10(110); C3H6(18), C3H5(102); +! From training reaction 3027 used for C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C6H9(113)<=>C3H5(102)+C6H10(110) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #1539; RMG #1539 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C6H10L(103)<=>C6H9(113)+C6H11L(63) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #1540; RMG #1540 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(107); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C6H10L(103)<=>C6H9(113)+C6H11L(107) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #1541; RMG #1541 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C7H12R(108)<=>C6H9(113)+C7H13R(62) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #1542; RMG #1542 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C8H16L(15)<=>C6H9(113)+C8H17L(49) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1543; RMG #1543 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C10H20R(64)<=>C6H9(113)+RC10(2) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1544; RMG #1544 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C6H9(113), C6H10(110); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(113)+RC10L(1)<=>C6H10(110)+C9H17LR(65) 1.690000e-02 4.340 16.850 + +! Reaction index: Chemkin #1545; RMG #1545 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C9H17LR(66)<=>C6H9(113)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1546; RMG #1546 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C9H17LR(68)<=>C6H9(113)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1547; RMG #1547 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C6H9(113), C6H10(110); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(113)+RC10L(1)<=>C6H10(110)+C9H17LR(69) 1.690000e-02 4.340 16.850 + +! Reaction index: Chemkin #1548; RMG #1548 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C9H17LR(71)<=>C6H9(113)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #1549; RMG #1549 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C6H9(113), C6H10(110); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(113)+RC10L(1)<=>C6H10(110)+C9H17LR(72) 1.690000e-02 4.340 16.850 + +! Reaction index: Chemkin #1550; RMG #1550 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C9H17LR(73)<=>C6H9(113)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #1551; RMG #1551 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C10H20L(76)<=>C6H9(113)+LC10(3) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #1552; RMG #1552 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C6H9(113), C6H10(110); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(113)+C8H15L(61)<=>C6H10(110)+C8H14L(112) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #1553; RMG #1553 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H9(114); +! Estimated from node Backbone2_Sp-3R!H=1R!H_N-4R!H->S +C6H9(113)<=>C6H9(114) 1.572550e+29 -4.713 38.794 + +! Reaction index: Chemkin #1554; RMG #1554 +! Library reaction: restart +! Flux pairs: C6H9(114), C12H18(115); C6H9(114), C12H18(115); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +C6H9(114)+C6H9(114)<=>C12H18(115) 5.000000e+13 -0.000 0.000 + +! Reaction index: Chemkin #1555; RMG #1555 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C6H9(114), C6H10(116); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(114)+RC10L(1)<=>C6H10(116)+C9H17LR(65) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #1556; RMG #1556 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C6H9(114), C6H10(116); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(114)+RC10L(1)<=>C6H10(116)+C9H17LR(69) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #1557; RMG #1557 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C9H17LR(66)<=>C6H9(114)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1558; RMG #1558 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C9H17LR(68)<=>C6H9(114)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1559; RMG #1559 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C6H9(114), C6H10(116); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(114)+RC10L(1)<=>C6H10(116)+C9H17LR(72) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #1560; RMG #1560 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C9H17LR(73)<=>C6H9(114)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1561; RMG #1561 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C9H17LR(71)<=>C6H9(114)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1562; RMG #1562 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C9H17LR(67)<=>C6H9(114)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1563; RMG #1563 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C9H17LR(70)<=>C6H9(114)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1564; RMG #1564 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C10H20R(64)<=>C6H9(114)+RC10(2) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1565; RMG #1565 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C10H20L(76)<=>C6H9(114)+LC10(3) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1566; RMG #1566 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H9(114)<=>C3H5R(58)+C6H10(116) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1567; RMG #1567 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H9(114)<=>C3H5R(12)+C6H10(116) 1.225850e+27 -4.376 7.628 + +! Reaction index: Chemkin #1568; RMG #1568 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H9(114)<=>C2H3L(19)+C6H10(116) 1.225850e+27 -4.376 7.628 + +! Reaction index: Chemkin #1569; RMG #1569 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); C3H4R(78), C3H5R(12); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C6H10(116)<=>C3H5R(12)+C6H9(114) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1570; RMG #1570 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H10(116)<=>CC(C)L(13)+C6H9(114) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1571; RMG #1571 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H10(116)<=>CCCC(C)L(16)+C6H9(114) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1572; RMG #1572 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(114), C6H10(116); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C6H9(114)<=>C3H5(102)+C6H10(116) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #1573; RMG #1573 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H10(116)<=>CC(C)CR(20)+C6H9(114) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1574; RMG #1574 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C6H10(116)<=>CR(22)+C6H9(114) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1575; RMG #1575 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C7H14R(9)<=>C6H9(114)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1576; RMG #1576 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); C5H8L(89), C5H9L(24); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C6H10(116)<=>C5H9L(24)+C6H9(114) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1577; RMG #1577 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C6H12L(11)<=>C6H9(114)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1578; RMG #1578 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C6H10(116)<=>CCL(26)+C6H9(114) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1579; RMG #1579 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C6H10(116)<=>CCCR(27)+C6H9(114) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1580; RMG #1580 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C[CH]CC(C)CR(5)<=>C6H9(114)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1581; RMG #1581 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C8H16L(15)<=>C6H9(114)+C8H17L(49) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #1582; RMG #1582 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C6H9(114), C6H10(116); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(114)+C6H11R(56)<=>C6H10(116)+C6H10R(90) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1583; RMG #1583 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(114), C6H10(116); C5H9L(57), C5H8L(77); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C6H9(114)<=>C5H8L(77)+C6H10(116) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1584; RMG #1584 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); C5H8L(89), C5H9L(57); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C6H10(116)<=>C5H9L(57)+C6H9(114) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1585; RMG #1585 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C6H10(116)<=>C3H5R(58)+C6H9(114) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1586; RMG #1586 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); C4H6R(79), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C6H10(116)<=>C4H7R(60)+C6H9(114) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1587; RMG #1587 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C6H9(114), C6H10(116); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(114)+C8H15L(61)<=>C6H10(116)+C8H14L(112) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #1588; RMG #1588 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C7H12R(108)<=>C6H9(114)+C7H13R(62) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1589; RMG #1589 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H11L(63); C6H10L(103), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C6H10(116)<=>C6H9(114)+C6H11L(63) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1590; RMG #1590 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(114), C6H10(116); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C6H9(114)<=>CH3(74)+C6H10(116) 4.240000e-02 4.340 24.900 + +! Reaction index: Chemkin #1591; RMG #1591 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C6H10(116)<=>C4H7R(81)+C6H9(114) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1592; RMG #1592 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(114), C6H10(116); [H][H](83), H(82); +! From training reaction 790 used for H2;C_rad/H/CdCs +! Exact match found for rate rule [H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +! Ea raised from 92.9 to 93.1 kJ/mol to match endothermicity of reaction. +! Ea raised from 93.1 to 93.1 kJ/mol to match endothermicity of reaction. +[H][H](83)+C6H9(114)<=>H(82)+C6H10(116) 4.580000e-02 4.340 22.252 + +! Reaction index: Chemkin #1593; RMG #1593 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); C5H8L(77), C5H9L(84); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(77)+C6H10(116)<=>C5H9L(84)+C6H9(114) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1594; RMG #1594 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C7H15(85)<=>C6H9(114)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #1595; RMG #1595 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C6H9(114)<=>C3H6(18)+C6H10(116) 2.451710e+27 -4.376 7.519 + +! Reaction index: Chemkin #1596; RMG #1596 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(114), C6H10(116); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C6H9(114)<=>C[CH]C(94)+C6H10(116) 1.476000e-02 4.340 18.000 + +! Reaction index: Chemkin #1597; RMG #1597 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C6H10R(90)<=>C6H9(114)+C6H11R(98) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #1598; RMG #1598 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H11L(107); C6H10L(103), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C6H10(116)<=>C6H9(114)+C6H11L(107) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1599; RMG #1599 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H10(116); C6H9(114), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9(114)+C6H10(110)<=>C6H9(113)+C6H10(116) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #1600; RMG #1600 +! Library reaction: restart +! Flux pairs: H(82), C6H10(116); C6H9(114), C6H10(116); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H +H(82)+C6H9(114)<=>C6H10(116) 1.576430e+13 -0.222 0.000 + +! Reaction index: Chemkin #1601; RMG #1601 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C[CH]CC(C)CR(5)<=>C6H10(116)+C6H11R(17) 1.225850e+27 -4.376 7.433 + +! Reaction index: Chemkin #1602; RMG #1602 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C8H16L(15)<=>C6H10(116)+C8H15L(21) 1.225850e+27 -4.376 7.433 + +! Reaction index: Chemkin #1603; RMG #1603 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H9(114)<=>C5H9L(24)+C6H10(116) 1.225850e+27 -4.376 7.433 + +! Reaction index: Chemkin #1604; RMG #1604 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C[CH]CC(C)CR(5)<=>C6H10(116)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1605; RMG #1605 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H9(114)<=>C5H9L(57)+C6H10(116) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1606; RMG #1606 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C6H9(114)<=>C3H5L(59)+C6H10(116) 5.258140e+13 -0.550 0.110 + +! Reaction index: Chemkin #1607; RMG #1607 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C6H9(114)<=>C4H7R(60)+C6H10(116) 5.258140e+13 -0.550 0.110 + +! Reaction index: Chemkin #1608; RMG #1608 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C8H16L(15)<=>C6H10(116)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1609; RMG #1609 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H9(114)+C7H14R(9)<=>C6H10(116)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1610; RMG #1610 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H9(114)+C6H12L(11)<=>C6H10(116)+C6H11L(63) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #1611; RMG #1611 +! Library reaction: restart +! Flux pairs: C6H9(114), C12H18(117); C6H9(114), C12H18(117); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +C6H9(114)+C6H9(114)<=>C12H18(117) 2.500000e+13 -0.000 0.000 + +! Reaction index: Chemkin #1612; RMG #1612 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C6H9(114); C6H8(118), C6H9(114); +! From training reaction 11 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ +! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C6H8(118)<=>C6H9(114) 1.650000e+09 1.480 0.900 + +! Reaction index: Chemkin #1613; RMG #1613 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H9(114)<=>CCCR(27)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1614; RMG #1614 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C6H9(114)<=>CCL(26)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1615; RMG #1615 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C6H9(114)<=>CR(22)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1616; RMG #1616 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(74)+C6H9(114)<=>C(75)+C6H8(118) 9.124700e+12 -0.160 0.000 +DUPLICATE + +! Reaction index: Chemkin #1617; RMG #1617 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C6H9(114)<=>C5H9L(57)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1618; RMG #1618 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C6H9(114)<=>C5H9L(84)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1619; RMG #1619 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C6H9(114)<=>C3H5R(12)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1620; RMG #1620 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C6H9(114)<=>C3H5R(58)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1621; RMG #1621 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C6H9(114)<=>C4H7R(60)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1622; RMG #1622 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C6H9(114)<=>C4H7R(81)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1623; RMG #1623 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C6H9(114)<=>C5H9L(24)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1624; RMG #1624 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C6H9(114)<=>C5H9L(57)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1625; RMG #1625 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H10R(90)<=>C6H8(118)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1626; RMG #1626 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H10R(90)<=>C6H8(118)+C6H11R(98) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1627; RMG #1627 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]C(94)+C6H9(114)<=>CCC(95)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1628; RMG #1628 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C6H9(114)<=>C3H6(18)+C6H8(118) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1629; RMG #1629 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H10L(103)<=>C6H8(118)+C6H11L(63) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1630; RMG #1630 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H10L(103)<=>C6H8(118)+C6H11L(107) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1631; RMG #1631 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C7H12R(108)<=>C6H8(118)+C7H13R(62) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1632; RMG #1632 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H9(113)<=>C6H8(118)+C6H10(110) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1633; RMG #1633 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H9(114)<=>C6H8(118)+C6H10(116) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1634; RMG #1634 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C8H14L(112)<=>C6H8(118)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1635; RMG #1635 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(65)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1636; RMG #1636 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(69)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1637; RMG #1637 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(66)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1638; RMG #1638 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(68)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1639; RMG #1639 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(72)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1640; RMG #1640 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(73)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1641; RMG #1641 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(71)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1642; RMG #1642 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(67)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1643; RMG #1643 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(70)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1644; RMG #1644 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C10H20R(64)<=>C6H8(118)+RC10(2) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1645; RMG #1645 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C10H20L(76)<=>C6H8(118)+LC10(3) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1646; RMG #1646 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C6H9(114)<=>CC(C)L(13)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1647; RMG #1647 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H9(114)<=>CCCC(C)L(16)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1648; RMG #1648 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C6H9(114)<=>CC(C)CR(20)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1649; RMG #1649 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C7H14R(9)<=>C6H8(118)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1650; RMG #1650 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H12L(11)<=>C6H8(118)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1651; RMG #1651 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C[CH]CC(C)CR(5)<=>C6H8(118)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1652; RMG #1652 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C8H16L(15)<=>C6H8(118)+C8H17L(49) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1653; RMG #1653 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C6H9(114)<=>C(75)+C6H8(118) 1.150000e+13 -0.320 0.000 +DUPLICATE + +! Reaction index: Chemkin #1654; RMG #1654 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(74)+C6H9(114)<=>C(75)+C6H8(118) 9.124700e+12 -0.160 0.000 +DUPLICATE + +! Reaction index: Chemkin #1655; RMG #1655 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C6H9(114)<=>[H][H](83)+C6H8(118) 1.191690e+10 0.568 0.000 + +! Reaction index: Chemkin #1656; RMG #1656 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C7H15(85)<=>C6H8(118)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1657; RMG #1657 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H5L(91), C10H14L(119); C6H9(113), C10H14L(119); +! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C4H5L(91)+C6H9(113)<=>C10H14L(119) 2.490000e+04 2.410 8.810 + +! Reaction index: Chemkin #1658; RMG #1658 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C7H13R(120), C7H12R(108); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(65)<=>C7H12R(108)+RC10L(1) 5.136920e-04 4.418 3.856 + +! Reaction index: Chemkin #1659; RMG #1659 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C7H13R(120), C7H12R(108); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(69)<=>C7H12R(108)+RC10L(1) 5.136920e-04 4.418 3.856 + +! Reaction index: Chemkin #1660; RMG #1660 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C7H13R(120), C7H12R(108); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(66)<=>C7H12R(108)+RC10L(1) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1661; RMG #1661 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C7H13R(120), C7H12R(108); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(68)<=>C7H12R(108)+RC10L(1) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1662; RMG #1662 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C7H13R(120), C7H12R(108); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(72)<=>C7H12R(108)+RC10L(1) 5.136920e-04 4.418 3.856 + +! Reaction index: Chemkin #1663; RMG #1663 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C7H13R(120), C7H12R(108); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(73)<=>C7H12R(108)+RC10L(1) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1664; RMG #1664 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C7H13R(120), C7H12R(108); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(71)<=>C7H12R(108)+RC10L(1) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1665; RMG #1665 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C7H13R(120), C7H12R(108); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(67)<=>C7H12R(108)+RC10L(1) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1666; RMG #1666 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C7H13R(120), C7H12R(108); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(70)<=>C7H12R(108)+RC10L(1) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1667; RMG #1667 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C7H13R(120), C7H12R(108); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C7H13R(120)+C10H20R(64)<=>C7H12R(108)+RC10(2) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1668; RMG #1668 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C7H13R(120), C7H12R(108); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C7H13R(120)+C10H20L(76)<=>C7H12R(108)+LC10(3) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1669; RMG #1669 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C7H12R(108)<=>C3H5R(58)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1670; RMG #1670 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C7H12R(108)<=>C3H5R(12)+C7H13R(120) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #1671; RMG #1671 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C7H12R(108)<=>C2H3L(19)+C7H13R(120) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #1672; RMG #1672 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C7H12R(108)<=>C3H4R(78)+C7H13R(120) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1673; RMG #1673 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C7H13R(120)<=>CC(C)L(13)+C7H12R(108) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1674; RMG #1674 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C7H13R(120)<=>CCCC(C)L(16)+C7H12R(108) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1675; RMG #1675 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); C3H5(102), C3H6(18); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +C3H5(102)+C7H13R(120)<=>C3H6(18)+C7H12R(108) 1.740000e-02 4.340 13.600 + +! Reaction index: Chemkin #1676; RMG #1676 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C7H13R(120)<=>CC(C)CR(20)+C7H12R(108) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1677; RMG #1677 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]R(14)+C7H13R(120)<=>CR(22)+C7H12R(108) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1678; RMG #1678 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C7H13R(120), C7H12R(108); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C7H13R(120)+C7H14R(9)<=>C7H12R(108)+CC(C)CC(C)CR(23) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1679; RMG #1679 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C7H12R(108)<=>C5H8L(89)+C7H13R(120) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1680; RMG #1680 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H12L(11)+C7H13R(120)<=>CC(C)CC(C)L(25)+C7H12R(108) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1681; RMG #1681 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C[CH]L(8)+C7H13R(120)<=>CCL(26)+C7H12R(108) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1682; RMG #1682 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C[CH]CR(10)+C7H13R(120)<=>CCCR(27)+C7H12R(108) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1683; RMG #1683 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C[CH]CC(C)CR(5)+C7H13R(120)<=>CCCC(C)CR(32)+C7H12R(108) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1684; RMG #1684 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C7H13R(120), C7H12R(108); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C7H13R(120)+C8H16L(15)<=>C7H12R(108)+C8H17L(49) 1.956390e-03 4.260 6.640 + +! Reaction index: Chemkin #1685; RMG #1685 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C6H11R(56), C6H10R(90); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C7H12R(108)<=>C6H10R(90)+C7H13R(120) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #1686; RMG #1686 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C5H9L(57), C5H8L(77); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C7H12R(108)<=>C5H8L(77)+C7H13R(120) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #1687; RMG #1687 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); C5H8L(89), C5H9L(57); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C5H8L(89)+C7H13R(120)<=>C5H9L(57)+C7H12R(108) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #1688; RMG #1688 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H4R(78)+C7H13R(120)<=>C3H5R(58)+C7H12R(108) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #1689; RMG #1689 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C7H12R(108)<=>C4H6R(79)+C7H13R(120) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1690; RMG #1690 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C7H12R(108), C7H13R(120); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C7H12R(108)+C8H15L(61)<=>C7H13R(120)+C8H14L(112) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #1691; RMG #1691 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H13R(120); C7H12R(108), C7H12R(108); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H12R(108)+C7H13R(62)<=>C7H12R(108)+C7H13R(120) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1692; RMG #1692 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11L(63)+C7H12R(108)<=>C6H10L(103)+C7H13R(120) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1693; RMG #1693 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); CH3(74), C(75); +! Estimated using an average for rate rule [C/H3/Cd;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CH3(74)+C7H13R(120)<=>C(75)+C7H12R(108) 1.350560e-01 4.253 7.537 + +! Reaction index: Chemkin #1694; RMG #1694 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H6R(79)+C7H13R(120)<=>C4H7R(81)+C7H12R(108) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #1695; RMG #1695 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H3/Cd;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +H(82)+C7H13R(120)<=>[H][H](83)+C7H12R(108) 6.100680e+03 3.153 4.317 + +! Reaction index: Chemkin #1696; RMG #1696 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C7H12R(108)<=>C5H8L(77)+C7H13R(120) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1697; RMG #1697 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C7H13R(120), C7H12R(108); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C7H13R(120)+C7H15(85)<=>C7H12R(108)+CC(C)CC(C)C(87) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #1698; RMG #1698 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); C[CH]C(94), CCC(95); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C[CH]C(94)+C7H13R(120)<=>CCC(95)+C7H12R(108) 2.016000e-03 4.340 4.700 + +! Reaction index: Chemkin #1699; RMG #1699 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C6H11R(98), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(98)+C7H12R(108)<=>C6H10R(90)+C7H13R(120) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1700; RMG #1700 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); C6H10L(103), C6H11L(107); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H10L(103)+C7H13R(120)<=>C6H11L(107)+C7H12R(108) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #1701; RMG #1701 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C7H12R(108)<=>C6H9(113)+C7H13R(120) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #1702; RMG #1702 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C7H12R(108)<=>C6H8(118)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1703; RMG #1703 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C7H12R(108)<=>C6H9(114)+C7H13R(120) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #1704; RMG #1704 +! Library reaction: restart +! Flux pairs: H(82), C7H13R(120); C7H12R(108), C7H13R(120); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- +! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing +H(82)+C7H12R(108)<=>C7H13R(120) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #1705; RMG #1705 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C7H12R(108)<=>C6H11R(17)+C7H13R(120) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #1706; RMG #1706 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C7H12R(108)<=>C3H6(18)+C7H13R(120) 2.451710e+27 -4.376 6.166 + +! Reaction index: Chemkin #1707; RMG #1707 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C8H16L(15)<=>C7H13R(120)+C8H15L(21) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #1708; RMG #1708 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C7H12R(108)<=>C5H9L(24)+C7H13R(120) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #1709; RMG #1709 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C7H12R(108)<=>C6H11R(56)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1710; RMG #1710 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C7H12R(108)<=>C5H9L(57)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1711; RMG #1711 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C7H12R(108)<=>C3H5L(59)+C7H13R(120) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #1712; RMG #1712 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+C7H12R(108)<=>C4H7R(60)+C7H13R(120) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #1713; RMG #1713 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(108)+C8H16L(15)<=>C7H13R(120)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1714; RMG #1714 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(120); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C7H12R(108)+C7H14R(9)<=>C7H13R(62)+C7H13R(120) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #1715; RMG #1715 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H12L(11)+C7H12R(108)<=>C6H11L(63)+C7H13R(120) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #1716; RMG #1716 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H5L(91), C10H14L(121); C6H9(113), C10H14L(121); +! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C4H5L(91)+C6H9(113)<=>C10H14L(121) 2.490000e+04 2.410 8.810 + +! Reaction index: Chemkin #1717; RMG #1717 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5L(59), C9H14L(122); C6H9(113), C9H14L(122); +! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C3H5L(59)+C6H9(113)<=>C9H14L(122) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #1718; RMG #1718 +! Template reaction: R_Recombination +! Flux pairs: H(82), C6H8(118); C6H7(123), C6H8(118); +! Matched reaction 14 C6H7-2 + H <=> C6H8-3 in R_Recombination/training +! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-3R!H-R] +! family: R_Recombination +H(82)+C6H7(123)<=>C6H8(118) 1.884000e+13 0.408 0.002 + +! Reaction index: Chemkin #1719; RMG #1719 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H8(118)<=>CC(C)CR(20)+C6H7(123) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1720; RMG #1720 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C6H8(118)<=>CCCR(27)+C6H7(123) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1721; RMG #1721 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H8(118), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C[CH]CC(C)CR(5)<=>C6H7(123)+CCCC(C)CR(32) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1722; RMG #1722 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H8(118)<=>CC(C)L(13)+C6H7(123) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1723; RMG #1723 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H8(118), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C7H14R(9)<=>C6H7(123)+CC(C)CC(C)CR(23) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1724; RMG #1724 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H8(118)<=>CCCC(C)L(16)+C6H7(123) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1725; RMG #1725 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C6H8(118)<=>CCL(26)+C6H7(123) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1726; RMG #1726 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H8(118), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C6H12L(11)<=>C6H7(123)+CC(C)CC(C)L(25) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1727; RMG #1727 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(118); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]CR(10)+C6H7(123)<=>C3H5R(12)+C6H8(118) 2.451710e+27 -4.376 7.020 + +! Reaction index: Chemkin #1728; RMG #1728 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C6H8(118)<=>CR(22)+C6H7(123) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1729; RMG #1729 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C[CH]CC(C)CR(5)<=>C6H8(118)+C6H11R(17) 2.451710e+27 -4.376 6.835 + +! Reaction index: Chemkin #1730; RMG #1730 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(118); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C[CH]C(94)+C6H7(123)<=>C3H6(18)+C6H8(118) 4.903420e+27 -4.376 6.916 + +! Reaction index: Chemkin #1731; RMG #1731 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(118); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]L(8)+C6H7(123)<=>C2H3L(19)+C6H8(118) 2.451710e+27 -4.376 7.020 + +! Reaction index: Chemkin #1732; RMG #1732 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C8H16L(15)<=>C6H8(118)+C8H15L(21) 2.451710e+27 -4.376 6.835 + +! Reaction index: Chemkin #1733; RMG #1733 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(118); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]CC(C)L(7)+C6H7(123)<=>C5H9L(24)+C6H8(118) 2.451710e+27 -4.376 6.835 + +! Reaction index: Chemkin #1734; RMG #1734 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C[CH]CC(C)CR(5)<=>C6H8(118)+C6H11R(56) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1735; RMG #1735 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(118); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C[CH]CC(C)L(7)+C6H7(123)<=>C5H9L(57)+C6H8(118) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1736; RMG #1736 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(118); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C[CH]CR(10)+C6H7(123)<=>C3H5R(58)+C6H8(118) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1737; RMG #1737 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(118); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C6H7(123)<=>C3H5L(59)+C6H8(118) 1.051630e+14 -0.550 0.000 + +! Reaction index: Chemkin #1738; RMG #1738 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(118); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C6H7(123)<=>C4H7R(60)+C6H8(118) 1.051630e+14 -0.550 0.000 + +! Reaction index: Chemkin #1739; RMG #1739 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C8H16L(15)<=>C6H8(118)+C8H15L(61) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1740; RMG #1740 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C6H7(123)+C7H14R(9)<=>C6H8(118)+C7H13R(62) 1.051630e+14 -0.550 0.000 + +! Reaction index: Chemkin #1741; RMG #1741 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C6H7(123)+C6H12L(11)<=>C6H8(118)+C6H11L(63) 1.051630e+14 -0.550 0.000 + +! Reaction index: Chemkin #1742; RMG #1742 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C6H8(118), C6H7(123); +! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(65)<=>C6H7(123)+RC10L(1) 1.916000e-03 4.340 -2.500 + +! Reaction index: Chemkin #1743; RMG #1743 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H8(118), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(66)<=>C6H7(123)+RC10L(1) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1744; RMG #1744 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H8(118), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(67)<=>C6H7(123)+RC10L(1) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1745; RMG #1745 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H8(118), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(68)<=>C6H7(123)+RC10L(1) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1746; RMG #1746 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C6H8(118), C6H7(123); +! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(69)<=>C6H7(123)+RC10L(1) 1.916000e-03 4.340 -2.500 + +! Reaction index: Chemkin #1747; RMG #1747 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H8(118), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(70)<=>C6H7(123)+RC10L(1) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1748; RMG #1748 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H8(118), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(71)<=>C6H7(123)+RC10L(1) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1749; RMG #1749 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C6H8(118), C6H7(123); +! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(72)<=>C6H7(123)+RC10L(1) 1.916000e-03 4.340 -2.500 + +! Reaction index: Chemkin #1750; RMG #1750 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H8(118), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(73)<=>C6H7(123)+RC10L(1) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1751; RMG #1751 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); CH3(74), C(75); +! From training reaction 1126 used for C/H2/CdCd;C_methyl +! Exact match found for rate rule [C/H2/CdCd;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(74)+C6H8(118)<=>C(75)+C6H7(123) 2.120000e-02 4.340 1.700 + +! Reaction index: Chemkin #1752; RMG #1752 +! Template reaction: H_Abstraction +! Flux pairs: C6H7(123), C6H8(118); C5H9L(57), C5H8L(77); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(57)+C6H7(123)<=>C5H8L(77)+C6H8(118) 2.920000e-03 4.340 12.900 + +! Reaction index: Chemkin #1753; RMG #1753 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C5H8L(77), C5H9L(84); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(77)+C6H8(118)<=>C5H9L(84)+C6H7(123) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #1754; RMG #1754 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C3H4R(78), C3H5R(12); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C6H8(118)<=>C3H5R(12)+C6H7(123) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #1755; RMG #1755 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C3H4R(78), C3H5R(58); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C6H8(118)<=>C3H5R(58)+C6H7(123) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #1756; RMG #1756 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C4H6R(79), C4H7R(60); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C6H8(118)<=>C4H7R(60)+C6H7(123) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #1757; RMG #1757 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C6H8(118)<=>C4H7R(81)+C6H7(123) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #1758; RMG #1758 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H8(118), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C7H15(85)<=>C6H7(123)+CC(C)CC(C)C(87) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1759; RMG #1759 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C5H8L(89), C5H9L(24); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C6H8(118)<=>C5H9L(24)+C6H7(123) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #1760; RMG #1760 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C5H8L(89), C5H9L(57); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C6H8(118)<=>C5H9L(57)+C6H7(123) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #1761; RMG #1761 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C6H7(123), C6H8(118); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H7(123)+C6H11R(56)<=>C6H8(118)+C6H10R(90) 2.920000e-03 4.340 12.900 + +! Reaction index: Chemkin #1762; RMG #1762 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C6H8(118), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C6H10R(90)<=>C6H7(123)+C6H11R(98) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #1763; RMG #1763 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C[CH]C(94), CCC(95); +! From training reaction 1128 used for C/H2/CdCd;C_rad/H/Cs\H3/Cs\H3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]C(94)+C6H8(118)<=>CCC(95)+C6H7(123) 2.320000e-03 4.340 -0.400 + +! Reaction index: Chemkin #1764; RMG #1764 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C3H5(102), C3H6(18); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H5(102)+C6H8(118)<=>C3H6(18)+C6H7(123) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #1765; RMG #1765 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); C6H8(118), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C6H10L(103)<=>C6H7(123)+C6H11L(63) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #1766; RMG #1766 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(107); C6H8(118), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C6H10L(103)<=>C6H7(123)+C6H11L(107) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #1767; RMG #1767 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C6H8(118), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C7H12R(108)<=>C6H7(123)+C7H13R(62) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #1768; RMG #1768 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C6H8(118), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C7H12R(108)<=>C6H7(123)+C7H13R(120) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #1769; RMG #1769 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C6H7(123), C6H8(118); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H7(123)+C8H15L(61)<=>C6H8(118)+C8H14L(112) 2.920000e-03 4.340 12.900 + +! Reaction index: Chemkin #1770; RMG #1770 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(113), C6H10(110); C6H8(118), C6H7(123); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C6H9(113)<=>C6H7(123)+C6H10(110) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #1771; RMG #1771 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(114), C6H10(116); C6H8(118), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C6H9(114)<=>C6H7(123)+C6H10(116) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #1772; RMG #1772 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C6H9(114)<=>C6H8(118)+C6H8(118) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1773; RMG #1773 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H8(118), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C8H16L(15)<=>C6H7(123)+C8H17L(49) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1774; RMG #1774 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H8(118), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C10H20R(64)<=>C6H7(123)+RC10(2) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1775; RMG #1775 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H8(118), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C10H20L(76)<=>C6H7(123)+LC10(3) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1776; RMG #1776 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); H(82), [H][H](83); +! From training reaction 1125 used for C/H2/CdCd;H_rad +! Exact match found for rate rule [C/H2/CdCd;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(82)+C6H8(118)<=>[H][H](83)+C6H7(123) 8.940000e-01 4.340 -0.400 + +! Reaction index: Chemkin #1777; RMG #1777 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C2H3L(19), C5H9LR(124); C[CH]CR(10), C5H9LR(124); +! Estimated using an average for rate rule [Cds-HH_Cds-CsH;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C2H3L(19)+C[CH]CR(10)<=>C5H9LR(124) 1.710000e+03 2.410 3.550 + +! Reaction index: Chemkin #1778; RMG #1778 +! Library reaction: restart +! Flux pairs: CH3(74), CC(L)CC(C)CR(37); C5H9LR(124), CC(L)CC(C)CR(37); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +CH3(74)+C5H9LR(124)<=>CC(L)CC(C)CR(37) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #1779; RMG #1779 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C6H9(114); C6H8(125), C6H9(114); +! From training reaction 2558 used for Cds-CsH_Cds-CdCs;HJ +! Exact match found for rate rule [Cds-CsH_Cds-CdCs;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C6H8(125)<=>C6H9(114) 1.520000e+08 1.640 0.140 + +! Reaction index: Chemkin #1780; RMG #1780 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H9(114)<=>CCCR(27)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1781; RMG #1781 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C6H9(114)<=>CCL(26)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1782; RMG #1782 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C6H9(114)<=>CR(22)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1783; RMG #1783 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(74)+C6H9(114)<=>C(75)+C6H8(125) 9.124700e+12 -0.160 0.000 +DUPLICATE + +! Reaction index: Chemkin #1784; RMG #1784 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C6H9(114)<=>C5H9L(57)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1785; RMG #1785 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C6H9(114)<=>C5H9L(84)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1786; RMG #1786 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C6H9(114)<=>C3H5R(12)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1787; RMG #1787 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C6H9(114)<=>C3H5R(58)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1788; RMG #1788 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C6H9(114)<=>C4H7R(60)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1789; RMG #1789 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C6H9(114)<=>C4H7R(81)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1790; RMG #1790 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C6H9(114)<=>C5H9L(24)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1791; RMG #1791 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C6H9(114)<=>C5H9L(57)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1792; RMG #1792 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H10R(90)<=>C6H8(125)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1793; RMG #1793 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H10R(90)<=>C6H8(125)+C6H11R(98) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1794; RMG #1794 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]C(94)+C6H9(114)<=>CCC(95)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1795; RMG #1795 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C6H9(114)<=>C3H6(18)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1796; RMG #1796 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H10L(103)<=>C6H8(125)+C6H11L(63) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1797; RMG #1797 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H10L(103)<=>C6H8(125)+C6H11L(107) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1798; RMG #1798 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C7H12R(108)<=>C6H8(125)+C7H13R(62) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1799; RMG #1799 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C7H12R(108)<=>C6H8(125)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1800; RMG #1800 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H9(113)<=>C6H8(125)+C6H10(110) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1801; RMG #1801 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H9(114)<=>C6H8(125)+C6H10(116) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1802; RMG #1802 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C8H14L(112)<=>C6H8(125)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1803; RMG #1803 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C6H8(125), C6H7(123); +! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C9H17LR(65)<=>C6H7(123)+RC10L(1) 1.916000e-03 4.340 -2.500 + +! Reaction index: Chemkin #1804; RMG #1804 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C6H8(125), C6H7(123); +! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C9H17LR(69)<=>C6H7(123)+RC10L(1) 1.916000e-03 4.340 -2.500 + +! Reaction index: Chemkin #1805; RMG #1805 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H8(125), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C9H17LR(66)<=>C6H7(123)+RC10L(1) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1806; RMG #1806 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H8(125), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C9H17LR(68)<=>C6H7(123)+RC10L(1) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1807; RMG #1807 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C6H8(125), C6H7(123); +! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C9H17LR(72)<=>C6H7(123)+RC10L(1) 1.916000e-03 4.340 -2.500 + +! Reaction index: Chemkin #1808; RMG #1808 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H8(125), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C9H17LR(73)<=>C6H7(123)+RC10L(1) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1809; RMG #1809 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H8(125), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C9H17LR(71)<=>C6H7(123)+RC10L(1) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1810; RMG #1810 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H8(125), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C9H17LR(67)<=>C6H7(123)+RC10L(1) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1811; RMG #1811 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H8(125), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C9H17LR(70)<=>C6H7(123)+RC10L(1) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1812; RMG #1812 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H8(125), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C10H20R(64)<=>C6H7(123)+RC10(2) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1813; RMG #1813 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H8(125), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C10H20L(76)<=>C6H7(123)+LC10(3) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1814; RMG #1814 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C3H4R(78), C3H5R(12); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C6H8(125)<=>C3H5R(12)+C6H7(123) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #1815; RMG #1815 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H8(125)<=>CC(C)L(13)+C6H7(123) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1816; RMG #1816 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H8(125)<=>CCCC(C)L(16)+C6H7(123) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1817; RMG #1817 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C3H5(102), C3H6(18); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H5(102)+C6H8(125)<=>C3H6(18)+C6H7(123) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #1818; RMG #1818 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H8(125)<=>CC(C)CR(20)+C6H7(123) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1819; RMG #1819 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C6H8(125)<=>CR(22)+C6H7(123) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1820; RMG #1820 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H8(125), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C7H14R(9)<=>C6H7(123)+CC(C)CC(C)CR(23) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1821; RMG #1821 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C5H8L(89), C5H9L(24); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C6H8(125)<=>C5H9L(24)+C6H7(123) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #1822; RMG #1822 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H8(125), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C6H12L(11)<=>C6H7(123)+CC(C)CC(C)L(25) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1823; RMG #1823 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C6H8(125)<=>CCL(26)+C6H7(123) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1824; RMG #1824 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C6H8(125)<=>CCCR(27)+C6H7(123) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1825; RMG #1825 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H8(125), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C[CH]CC(C)CR(5)<=>C6H7(123)+CCCC(C)CR(32) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1826; RMG #1826 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H8(125), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C8H16L(15)<=>C6H7(123)+C8H17L(49) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #1827; RMG #1827 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C6H7(123), C6H8(125); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H7(123)+C6H11R(56)<=>C6H8(125)+C6H10R(90) 2.920000e-03 4.340 12.900 + +! Reaction index: Chemkin #1828; RMG #1828 +! Template reaction: H_Abstraction +! Flux pairs: C6H7(123), C6H8(125); C5H9L(57), C5H8L(77); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(57)+C6H7(123)<=>C5H8L(77)+C6H8(125) 2.920000e-03 4.340 12.900 + +! Reaction index: Chemkin #1829; RMG #1829 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C5H8L(89), C5H9L(57); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C6H8(125)<=>C5H9L(57)+C6H7(123) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #1830; RMG #1830 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C3H4R(78), C3H5R(58); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C6H8(125)<=>C3H5R(58)+C6H7(123) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #1831; RMG #1831 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C4H6R(79), C4H7R(60); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C6H8(125)<=>C4H7R(60)+C6H7(123) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #1832; RMG #1832 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C6H7(123), C6H8(125); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H7(123)+C8H15L(61)<=>C6H8(125)+C8H14L(112) 2.920000e-03 4.340 12.900 + +! Reaction index: Chemkin #1833; RMG #1833 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C6H8(125), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C7H12R(108)<=>C6H7(123)+C7H13R(62) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #1834; RMG #1834 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); C6H8(125), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C6H10L(103)<=>C6H7(123)+C6H11L(63) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #1835; RMG #1835 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); CH3(74), C(75); +! From training reaction 1126 used for C/H2/CdCd;C_methyl +! Exact match found for rate rule [C/H2/CdCd;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(74)+C6H8(125)<=>C(75)+C6H7(123) 2.120000e-02 4.340 1.700 + +! Reaction index: Chemkin #1836; RMG #1836 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C6H8(125)<=>C4H7R(81)+C6H7(123) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #1837; RMG #1837 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); H(82), [H][H](83); +! From training reaction 1125 used for C/H2/CdCd;H_rad +! Exact match found for rate rule [C/H2/CdCd;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(82)+C6H8(125)<=>[H][H](83)+C6H7(123) 8.940000e-01 4.340 -0.400 + +! Reaction index: Chemkin #1838; RMG #1838 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C5H8L(77), C5H9L(84); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(77)+C6H8(125)<=>C5H9L(84)+C6H7(123) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #1839; RMG #1839 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H8(125), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C7H15(85)<=>C6H7(123)+CC(C)CC(C)C(87) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #1840; RMG #1840 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C[CH]C(94), CCC(95); +! From training reaction 1128 used for C/H2/CdCd;C_rad/H/Cs\H3/Cs\H3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]C(94)+C6H8(125)<=>CCC(95)+C6H7(123) 2.320000e-03 4.340 -0.400 + +! Reaction index: Chemkin #1841; RMG #1841 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C6H8(125), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C6H10R(90)<=>C6H7(123)+C6H11R(98) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #1842; RMG #1842 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(107); C6H8(125), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C6H10L(103)<=>C6H7(123)+C6H11L(107) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #1843; RMG #1843 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(113), C6H10(110); C6H8(125), C6H7(123); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C6H9(113)<=>C6H7(123)+C6H10(110) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #1844; RMG #1844 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(114), C6H10(116); C6H8(125), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C6H9(114)<=>C6H7(123)+C6H10(116) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #1845; RMG #1845 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H8(118); C6H7(123), C6H7(123); +! From training reaction 3030 used for C/H2/CdCd;C_rad/H/CdCd +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H7(123)+C6H8(125)<=>C6H7(123)+C6H8(118) 1.564000e-03 4.340 8.900 + +! Reaction index: Chemkin #1846; RMG #1846 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C6H8(125), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C7H12R(108)<=>C6H7(123)+C7H13R(120) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #1847; RMG #1847 +! Template reaction: R_Recombination +! Flux pairs: H(82), C6H8(125); C6H7(123), C6H8(125); +! Matched reaction 16 C6H7-4 + H <=> C6H8-5 in R_Recombination/training +! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-5R!H-R] +! family: R_Recombination +H(82)+C6H7(123)<=>C6H8(125) 5.871000e+13 0.158 -0.004 + +! Reaction index: Chemkin #1848; RMG #1848 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(65)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1849; RMG #1849 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(69)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1850; RMG #1850 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(66)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1851; RMG #1851 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(68)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1852; RMG #1852 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(72)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1853; RMG #1853 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(73)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1854; RMG #1854 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(71)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1855; RMG #1855 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(67)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1856; RMG #1856 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H17LR(70)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1857; RMG #1857 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C10H20R(64)<=>C6H8(125)+RC10(2) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1858; RMG #1858 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C10H20L(76)<=>C6H8(125)+LC10(3) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1859; RMG #1859 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(125); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]CR(10)+C6H7(123)<=>C3H5R(12)+C6H8(125) 2.451710e+27 -4.376 7.102 + +! Reaction index: Chemkin #1860; RMG #1860 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C6H9(114)<=>CC(C)L(13)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1861; RMG #1861 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H9(114)<=>CCCC(C)L(16)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1862; RMG #1862 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C[CH]CC(C)CR(5)<=>C6H8(125)+C6H11R(17) 2.451710e+27 -4.376 6.915 + +! Reaction index: Chemkin #1863; RMG #1863 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(125); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C[CH]C(94)+C6H7(123)<=>C3H6(18)+C6H8(125) 4.903420e+27 -4.376 6.997 + +! Reaction index: Chemkin #1864; RMG #1864 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(125); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]L(8)+C6H7(123)<=>C2H3L(19)+C6H8(125) 2.451710e+27 -4.376 7.102 + +! Reaction index: Chemkin #1865; RMG #1865 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C6H9(114)<=>CC(C)CR(20)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1866; RMG #1866 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C8H16L(15)<=>C6H8(125)+C8H15L(21) 2.451710e+27 -4.376 6.915 + +! Reaction index: Chemkin #1867; RMG #1867 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C7H14R(9)<=>C6H8(125)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1868; RMG #1868 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(125); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]CC(C)L(7)+C6H7(123)<=>C5H9L(24)+C6H8(125) 2.451710e+27 -4.376 6.915 + +! Reaction index: Chemkin #1869; RMG #1869 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H12L(11)<=>C6H8(125)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1870; RMG #1870 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C[CH]CC(C)CR(5)<=>C6H8(125)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1871; RMG #1871 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C[CH]CC(C)CR(5)<=>C6H8(125)+C6H11R(56) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1872; RMG #1872 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(125); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C[CH]CC(C)L(7)+C6H7(123)<=>C5H9L(57)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1873; RMG #1873 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(125); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C[CH]CR(10)+C6H7(123)<=>C3H5R(58)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1874; RMG #1874 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(125); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C6H7(123)<=>C3H5L(59)+C6H8(125) 1.051630e+14 -0.550 0.000 + +! Reaction index: Chemkin #1875; RMG #1875 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(125); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C6H7(123)<=>C4H7R(60)+C6H8(125) 1.051630e+14 -0.550 0.000 + +! Reaction index: Chemkin #1876; RMG #1876 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C8H16L(15)<=>C6H8(125)+C8H15L(61) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1877; RMG #1877 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C6H7(123)+C7H14R(9)<=>C6H8(125)+C7H13R(62) 1.051630e+14 -0.550 0.000 + +! Reaction index: Chemkin #1878; RMG #1878 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C6H7(123)+C6H12L(11)<=>C6H8(125)+C6H11L(63) 1.051630e+14 -0.550 0.000 + +! Reaction index: Chemkin #1879; RMG #1879 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C6H9(114)<=>C(75)+C6H8(125) 1.150000e+13 -0.320 0.000 +DUPLICATE + +! Reaction index: Chemkin #1880; RMG #1880 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(74)+C6H9(114)<=>C(75)+C6H8(125) 9.124700e+12 -0.160 0.000 +DUPLICATE + +! Reaction index: Chemkin #1881; RMG #1881 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C6H9(114)<=>[H][H](83)+C6H8(125) 1.191690e+10 0.568 0.000 + +! Reaction index: Chemkin #1882; RMG #1882 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C7H15(85)<=>C6H8(125)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1883; RMG #1883 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C8H16L(15)<=>C6H8(125)+C8H17L(49) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #1884; RMG #1884 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C6H7(123)+C6H9(114)<=>C6H8(118)+C6H8(125) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #1885; RMG #1885 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C6H9(114)<=>C6H8(125)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1886; RMG #1886 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CH3(74), C7H11(126); C6H8(125), C7H11(126); +! From training reaction 94 used for Cds-CsH_Cds-CdCs;CsJ-HHH +! Exact match found for rate rule [Cds-CsH_Cds-CdCs;CsJ-HHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +CH3(74)+C6H8(125)<=>C7H11(126) 1.079950e+05 2.652 -2.017 + +! Reaction index: Chemkin #1887; RMG #1887 +! Library reaction: restart +! Flux pairs: C7H11(127), C7H11(126); +! Estimated from node Backbone2_Sp-3R!H=1R!H_N-4R!H->S +C7H11(127)<=>C7H11(126) 1.572550e+29 -4.713 39.081 + +! Reaction index: Chemkin #1888; RMG #1888 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C[CH]CR(10), C8H13LR(128); C5H7L(104), C8H13LR(128); +! From training reaction 293 used for Cds-HH_Cds-CdCs;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]CR(10)+C5H7L(104)<=>C8H13LR(128) 2.180000e+03 2.410 0.340 + +! Reaction index: Chemkin #1889; RMG #1889 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H4R(78), C8H11LR(129); C5H7L(104), C8H11LR(129); +! From training reaction 295 used for Cds-HH_Cds-CdCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CdHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H4R(78)+C5H7L(104)<=>C8H11LR(129) 2.820000e+04 2.410 8.390 + +! Reaction index: Chemkin #1890; RMG #1890 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5(102), C7H10L(130); C4H5L(91), C7H10L(130); +! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C3H5(102)+C4H5L(91)<=>C7H10L(130) 4.980000e+04 2.410 8.810 + +! Reaction index: Chemkin #1891; RMG #1891 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CH3(74), C6H10L(131); C5H7L(104), C6H10L(131); +! From training reaction 291 used for Cds-HH_Cds-CdCs;CsJ-HHH +! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-HHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +CH3(74)+C5H7L(104)<=>C6H10L(131) 2.680000e+04 2.410 2.100 + +! Reaction index: Chemkin #1892; RMG #1892 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5L(59), C9H14L(132); C6H9(113), C9H14L(132); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H5L(59)+C6H9(113)<=>C9H14L(132) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #1893; RMG #1893 +! Library reaction: restart +! Flux pairs: C3H4R(78), C6H8R2(133); C3H4R(78), C6H8R2(133); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C3H4R(78)+C3H4R(78)<=>C6H8R2(133) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #1894; RMG #1894 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H5L(91), C8H11LR(134); C4H6R(79), C8H11LR(134); +! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C4H5L(91)+C4H6R(79)<=>C8H11LR(134) 2.490000e+04 2.410 8.810 + +! Reaction index: Chemkin #1895; RMG #1895 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7L(104), C11H16L(135); C6H9(113), C11H16L(135); +! Estimated using template [Cds-HH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C5H7L(104)+C6H9(113)<=>C11H16L(135) 2.820000e+04 2.410 8.390 + +! Reaction index: Chemkin #1896; RMG #1896 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7L(104), C11H16L(136); C6H9(113), C11H16L(136); +! From training reaction 295 used for Cds-HH_Cds-CdCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CdHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C5H7L(104)+C6H9(113)<=>C11H16L(136) 2.820000e+04 2.410 8.390 + +! Reaction index: Chemkin #1897; RMG #1897 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H7R(60), C10H16R(137); C6H9(113), C10H16R(137); +! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C4H7R(60)+C6H9(113)<=>C10H16R(137) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #1898; RMG #1898 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C[CH]L(8), C5H9LR(138); C3H5R(12), C5H9LR(138); +! Estimated using an average for rate rule [Cds-HH_Cds-CsH;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]L(8)+C3H5R(12)<=>C5H9LR(138) 1.710000e+03 2.410 3.550 + +! Reaction index: Chemkin #1899; RMG #1899 +! Library reaction: restart +! Flux pairs: CH3(74), CC(L)CC(C)CR(37); C5H9LR(138), CC(L)CC(C)CR(37); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +CH3(74)+C5H9LR(138)<=>CC(L)CC(C)CR(37) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #1900; RMG #1900 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5L(59), C6H10L(139); C3H5(102), C6H10L(139); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C3H5L(59)+C3H5(102)<=>C6H10L(139) 5.580000e+04 2.410 11.220 + +! Reaction index: Chemkin #1901; RMG #1901 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H7R(60), C10H16R(140); C6H9(113), C10H16R(140); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C4H7R(60)+C6H9(113)<=>C10H16R(140) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #1902; RMG #1902 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5(102), C8H12L(141); C5H7L(104), C8H12L(141); +! From training reaction 295 used for Cds-HH_Cds-CdCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C3H5(102)+C5H7L(104)<=>C8H12L(141) 5.640000e+04 2.410 8.390 + +! Reaction index: Chemkin #1903; RMG #1903 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H6R(79), C9H13LR(142); C5H7L(104), C9H13LR(142); +! Estimated using template [Cds-HH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C4H6R(79)+C5H7L(104)<=>C9H13LR(142) 2.820000e+04 2.410 8.390 + +! Reaction index: Chemkin #1904; RMG #1904 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5L(59), C7H11LR(143); C4H6R(79), C7H11LR(143); +! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C3H5L(59)+C4H6R(79)<=>C7H11LR(143) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #1905; RMG #1905 +! Library reaction: restart +! Flux pairs: C6H9LR(99), C6H9LR(144); +! Estimated from node Backbone2_N-Sp-3R!H=1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-4R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-9R!H=8R!H +C6H9LR(99)<=>C6H9LR(144) 9.833340e+10 0.517 17.349 + +! Reaction index: Chemkin #1906; RMG #1906 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C[CH]L(8), C6H9L2(145); C4H5L(91), C6H9L2(145); +! From training reaction 473 used for Cds-CsH_Cds-CdH;CsJ-CsCsH +! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]L(8)+C4H5L(91)<=>C6H9L2(145) 9.220000e+02 2.410 2.240 + +! Reaction index: Chemkin #1907; RMG #1907 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H4R(78), C7H11R2(146); C4H7R(60), C7H11R2(146); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H4R(78)+C4H7R(60)<=>C7H11R2(146) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #1908; RMG #1908 +! Library reaction: restart +! Flux pairs: H(82), C3H5L(59); C3H4L(147), C3H5L(59); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- +! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing +! Multiplied by reaction path degeneracy 2.0 +H(82)+C3H4L(147)<=>C3H5L(59) 3.251960e+13 0.255 0.000 + +! Reaction index: Chemkin #1909; RMG #1909 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C3H5L(59), C3H4L(147); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+[CH2]C(C)CR(6)<=>C3H4L(147)+CC(C)CR(20) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #1910; RMG #1910 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CR(10), CCCR(27); C3H5L(59), C3H4L(147); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C[CH]CR(10)<=>C3H4L(147)+CCCR(27) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #1911; RMG #1911 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C3H5L(59), C3H4L(147); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C[CH]CC(C)CR(5)<=>C3H4L(147)+CCCC(C)CR(32) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #1912; RMG #1912 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); C3H5L(59), C3H4L(147); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+[CH2]C(C)L(4)<=>C3H4L(147)+CC(C)L(13) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #1913; RMG #1913 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C3H5L(59), C3H4L(147); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C7H14R(9)<=>C3H4L(147)+CC(C)CC(C)CR(23) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #1914; RMG #1914 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C3H5L(59), C3H4L(147); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C[CH]CC(C)L(7)<=>C3H4L(147)+CCCC(C)L(16) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #1915; RMG #1915 +! Template reaction: H_Abstraction +! Flux pairs: C3H5L(59), C3H4L(147); C[CH]L(8), CCL(26); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]L(8)+C3H5L(59)<=>CCL(26)+C3H4L(147) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #1916; RMG #1916 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C3H5L(59), C3H4L(147); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C6H12L(11)<=>C3H4L(147)+CC(C)CC(C)L(25) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #1917; RMG #1917 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(12); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C[CH]CR(10)<=>C3H5L(59)+C3H5R(12) 2.451710e+27 -4.376 6.263 + +! Reaction index: Chemkin #1918; RMG #1918 +! Template reaction: H_Abstraction +! Flux pairs: C3H5L(59), C3H4L(147); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]R(14)+C3H5L(59)<=>CR(22)+C3H4L(147) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #1919; RMG #1919 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C[CH]CC(C)CR(5)<=>C3H5L(59)+C6H11R(17) 2.451710e+27 -4.376 6.090 + +! Reaction index: Chemkin #1920; RMG #1920 +! Library reaction: restart +! Flux pairs: C[CH]C(94), C3H6(18); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C3H4L(147)+C[CH]C(94)<=>C3H5L(59)+C3H6(18) 4.903420e+27 -4.376 6.166 + +! Reaction index: Chemkin #1921; RMG #1921 +! Library reaction: restart +! Flux pairs: C3H4L(147), C3H5L(59); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]L(8)+C3H4L(147)<=>C2H3L(19)+C3H5L(59) 2.451710e+27 -4.376 6.263 + +! Reaction index: Chemkin #1922; RMG #1922 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C8H16L(15)<=>C3H5L(59)+C8H15L(21) 2.451710e+27 -4.376 6.090 + +! Reaction index: Chemkin #1923; RMG #1923 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C[CH]CC(C)L(7)<=>C3H5L(59)+C5H9L(24) 2.451710e+27 -4.376 6.090 + +! Reaction index: Chemkin #1924; RMG #1924 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C[CH]CC(C)CR(5)<=>C3H5L(59)+C6H11R(56) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1925; RMG #1925 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C[CH]CC(C)L(7)<=>C3H5L(59)+C5H9L(57) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1926; RMG #1926 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(58); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C[CH]CR(10)<=>C3H5L(59)+C3H5R(58) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1927; RMG #1927 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), C3H5L(59); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C3H4L(147)+[CH2]C(C)L(4)<=>C3H5L(59)+C3H5L(59) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #1928; RMG #1928 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C3H4L(147)+[CH2]C(C)CR(6)<=>C3H5L(59)+C4H7R(60) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #1929; RMG #1929 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C8H16L(15)<=>C3H5L(59)+C8H15L(61) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1930; RMG #1930 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C3H4L(147)+C7H14R(9)<=>C3H5L(59)+C7H13R(62) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #1931; RMG #1931 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C3H4L(147)+C6H12L(11)<=>C3H5L(59)+C6H11L(63) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #1932; RMG #1932 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C3H5L(59), C3H4L(147); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C10H20R(64)<=>C3H4L(147)+RC10(2) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #1933; RMG #1933 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C3H5L(59), C3H4L(147); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C9H17LR(65)<=>C3H4L(147)+RC10L(1) 4.320000e-05 4.520 1.460 + +! Reaction index: Chemkin #1934; RMG #1934 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C3H5L(59), C3H4L(147); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C9H17LR(66)<=>C3H4L(147)+RC10L(1) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #1935; RMG #1935 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C3H5L(59), C3H4L(147); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C9H17LR(70)<=>C3H4L(147)+RC10L(1) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #1936; RMG #1936 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C3H5L(59), C3H4L(147); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C9H17LR(71)<=>C3H4L(147)+RC10L(1) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #1937; RMG #1937 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C3H5L(59), C3H4L(147); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C8H16L(15)<=>C3H4L(147)+C8H17L(49) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #1938; RMG #1938 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C3H5L(59), C3H4L(147); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C9H17LR(67)<=>C3H4L(147)+RC10L(1) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #1939; RMG #1939 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C3H5L(59), C3H4L(147); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C9H17LR(68)<=>C3H4L(147)+RC10L(1) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #1940; RMG #1940 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C3H5L(59), C3H4L(147); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C9H17LR(69)<=>C3H4L(147)+RC10L(1) 4.320000e-05 4.520 1.460 + +! Reaction index: Chemkin #1941; RMG #1941 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C3H5L(59), C3H4L(147); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C9H17LR(72)<=>C3H4L(147)+RC10L(1) 4.320000e-05 4.520 1.460 + +! Reaction index: Chemkin #1942; RMG #1942 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C3H5L(59), C3H4L(147); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C9H17LR(73)<=>C3H4L(147)+RC10L(1) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #1943; RMG #1943 +! Template reaction: H_Abstraction +! Flux pairs: C3H5L(59), C3H4L(147); CH3(74), C(75); +! From training reaction 760 used for C/H3/Cd\Cs_Cd\H2;C_methyl +! Exact match found for rate rule [C/H3/Cd\Cs_Cd\H2;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +CH3(74)+C3H5L(59)<=>C(75)+C3H4L(147) 5.940000e-02 4.260 7.550 + +! Reaction index: Chemkin #1944; RMG #1944 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C3H5L(59), C3H4L(147); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C10H20L(76)<=>C3H4L(147)+LC10(3) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #1945; RMG #1945 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(147)+C5H9L(57)<=>C3H5L(59)+C5H8L(77) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #1946; RMG #1946 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(84), C5H8L(77); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C5H9L(84)<=>C3H5L(59)+C5H8L(77) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #1947; RMG #1947 +! Template reaction: H_Abstraction +! Flux pairs: C3H5R(12), C3H5L(59); C3H4L(147), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C3H5R(12)<=>C3H4R(78)+C3H5L(59) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #1948; RMG #1948 +! Template reaction: H_Abstraction +! Flux pairs: C3H5R(58), C3H5L(59); C3H4L(147), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H4L(147)+C3H5R(58)<=>C3H4R(78)+C3H5L(59) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #1949; RMG #1949 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H6R(79); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C4H7R(60)<=>C3H5L(59)+C4H6R(79) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #1950; RMG #1950 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(81), C4H6R(79); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +C3H4L(147)+C4H7R(81)<=>C3H5L(59)+C4H6R(79) 1.740000e-02 4.340 13.600 + +! Reaction index: Chemkin #1951; RMG #1951 +! Template reaction: H_Abstraction +! Flux pairs: C3H5L(59), C3H4L(147); H(82), [H][H](83); +! From training reaction 759 used for C/H3/Cd\Cs_Cd\H2;H_rad +! Exact match found for rate rule [C/H3/Cd\Cs_Cd\H2;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +H(82)+C3H5L(59)<=>[H][H](83)+C3H4L(147) 2.514000e+03 3.180 4.370 + +! Reaction index: Chemkin #1952; RMG #1952 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C3H5L(59), C3H4L(147); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C7H15(85)<=>C3H4L(147)+CC(C)CC(C)C(87) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #1953; RMG #1953 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(24), C5H8L(89); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C5H9L(24)<=>C3H5L(59)+C5H8L(89) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #1954; RMG #1954 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(89); C3H4L(147), C3H5L(59); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H4L(147)+C5H9L(57)<=>C3H5L(59)+C5H8L(89) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #1955; RMG #1955 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(147)+C6H11R(56)<=>C3H5L(59)+C6H10R(90) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #1956; RMG #1956 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(98), C6H10R(90); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C6H11R(98)<=>C3H5L(59)+C6H10R(90) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #1957; RMG #1957 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]C(94), CCC(95); C3H5L(59), C3H4L(147); +! Estimated using template [C/H3/Cd;C_rad/H/Cs\H3/Cs\H3] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C[CH]C(94)<=>C3H4L(147)+CCC(95) 1.008000e-03 4.340 4.700 + +! Reaction index: Chemkin #1958; RMG #1958 +! Template reaction: H_Abstraction +! Flux pairs: C3H6(18), C3H5(102); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H4L(147)+C3H6(18)<=>C3H5L(59)+C3H5(102) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #1959; RMG #1959 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H10L(103); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C6H11L(63)<=>C3H5L(59)+C6H10L(103) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #1960; RMG #1960 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +C3H4L(147)+C6H11L(107)<=>C3H5L(59)+C6H10L(103) 1.740000e-02 4.340 13.600 + +! Reaction index: Chemkin #1961; RMG #1961 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C7H13R(62)<=>C3H5L(59)+C7H12R(108) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #1962; RMG #1962 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +C3H4L(147)+C7H13R(120)<=>C3H5L(59)+C7H12R(108) 1.740000e-02 4.340 13.600 + +! Reaction index: Chemkin #1963; RMG #1963 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(147)+C8H15L(61)<=>C3H5L(59)+C8H14L(112) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #1964; RMG #1964 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H4L(147)+C6H10(110)<=>C3H5L(59)+C6H9(113) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #1965; RMG #1965 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C6H10(116)<=>C3H5L(59)+C6H9(114) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #1966; RMG #1966 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C6H9(114)<=>C3H5L(59)+C6H8(118) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1967; RMG #1967 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C6H8(118)<=>C3H5L(59)+C6H7(123) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #1968; RMG #1968 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C6H8(125)<=>C3H5L(59)+C6H7(123) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #1969; RMG #1969 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C6H9(114)<=>C3H5L(59)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #1970; RMG #1970 +! Library reaction: restart +! Flux pairs: C7H9LR(100), C7H9LR(148); +! Estimated from node Backbone2_N-Sp-3R!H=1R!H_N-1R!H-inRing_Sp-4R!H-3R!H_Ext-5R!H-R +C7H9LR(100)<=>C7H9LR(148) 2.322560e-20 8.934 1.317 + +! Reaction index: Chemkin #1971; RMG #1971 +! Library reaction: restart +! Flux pairs: C3H4L(147), L[C]1CC1(149); +! Estimated from node Backbone0 +C3H4L(147)<=>L[C]1CC1(149) 1.014560e+05 2.304 29.598 + +! Reaction index: Chemkin #1972; RMG #1972 +! Library reaction: restart +! Flux pairs: C7H9LR(148), C7H9LR(150); +! Estimated from node Backbone2_N-Sp-3R!H=1R!H_1R!H-inRing_3R!H-inRing_Ext-5R!H-R +C7H9LR(148)<=>C7H9LR(150) 4.825870e+53 -11.671 43.097 + +! Reaction index: Chemkin #1973; RMG #1973 +! Library reaction: restart +! Flux pairs: C7H9LR(100), C7H9LR(151); +! Estimated from node Backbone4_N-Sp-5R!H-2R!H_Sp-2R!H-1R!H_N-3R!H-inRing_6R!H->C_Sp-3R!H-1R!H +C7H9LR(100)<=>C7H9LR(151) 5.228090e+01 2.741 14.849 + +! Reaction index: Chemkin #1974; RMG #1974 +! Library reaction: restart +! Flux pairs: C7H9LR(151), C7H9LR(150); +! Estimated from node Backbone2_N-Sp-3R!H=1R!H_1R!H-inRing_3R!H-inRing_Ext-5R!H-R +C7H9LR(151)<=>C7H9LR(150) 4.825870e+53 -11.671 45.710 + +! Reaction index: Chemkin #1975; RMG #1975 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H4L(147), C7H9L2(152); C4H5L(91), C7H9L2(152); +! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C3H4L(147)+C4H5L(91)<=>C7H9L2(152) 4.980000e+04 2.410 8.810 + +! Reaction index: Chemkin #1976; RMG #1976 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5(102), C7H12R(153); C4H7R(60), C7H12R(153); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C3H5(102)+C4H7R(60)<=>C7H12R(153) 5.580000e+04 2.410 11.220 + +! Reaction index: Chemkin #1977; RMG #1977 +! Library reaction: restart +! Flux pairs: C7H9LR(151), C7H9LR(154); +! Estimated from node Backbone3_N-Sp-4R!H=1R!H_Sp-2R!H-1R!H_Ext-5R!H-R_Ext-7R!H-R_4R!H-inRing +C7H9LR(151)<=>C7H9LR(154) 6.090000e+08 0.695 15.986 + +! Reaction index: Chemkin #1978; RMG #1978 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CH3(74), CC[C](C)L(155); C3H5L(59), CC[C](C)L(155); +! From training reaction 255 used for Cds-HH_Cds-CsCs;CsJ-HHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-HHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +CH3(74)+C3H5L(59)<=>CC[C](C)L(155) 2.640000e+04 2.410 4.930 + +! Reaction index: Chemkin #1979; RMG #1979 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C7H13R(62); C4H7(156), C7H13R(62); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C4H7(156)<=>C7H13R(62) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #1980; RMG #1980 +! Library reaction: restart +! Flux pairs: C[CH]L(8), C6H11L(63); C4H7(156), C6H11L(63); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C4H7(156)<=>C6H11L(63) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #1981; RMG #1981 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C4H8(157), C4H7(156); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C9H17LR(65)<=>C4H7(156)+RC10L(1) 8.640000e-05 4.520 1.460 + +! Reaction index: Chemkin #1982; RMG #1982 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C4H8(157), C4H7(156); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C9H17LR(69)<=>C4H7(156)+RC10L(1) 8.640000e-05 4.520 1.460 + +! Reaction index: Chemkin #1983; RMG #1983 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C4H8(157), C4H7(156); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C9H17LR(66)<=>C4H7(156)+RC10L(1) 2.400730e-04 4.665 5.150 + +! Reaction index: Chemkin #1984; RMG #1984 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C4H8(157), C4H7(156); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C9H17LR(68)<=>C4H7(156)+RC10L(1) 2.400730e-04 4.665 5.150 + +! Reaction index: Chemkin #1985; RMG #1985 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C4H8(157), C4H7(156); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C9H17LR(72)<=>C4H7(156)+RC10L(1) 8.640000e-05 4.520 1.460 + +! Reaction index: Chemkin #1986; RMG #1986 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C4H8(157), C4H7(156); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C9H17LR(73)<=>C4H7(156)+RC10L(1) 5.034000e-05 4.890 4.320 + +! Reaction index: Chemkin #1987; RMG #1987 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C4H8(157), C4H7(156); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C9H17LR(71)<=>C4H7(156)+RC10L(1) 5.034000e-05 4.890 4.320 + +! Reaction index: Chemkin #1988; RMG #1988 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C4H8(157), C4H7(156); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C9H17LR(67)<=>C4H7(156)+RC10L(1) 2.400730e-04 4.665 5.150 + +! Reaction index: Chemkin #1989; RMG #1989 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C4H8(157), C4H7(156); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C9H17LR(70)<=>C4H7(156)+RC10L(1) 5.034000e-05 4.890 4.320 + +! Reaction index: Chemkin #1990; RMG #1990 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C4H8(157), C4H7(156); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C10H20R(64)<=>C4H7(156)+RC10(2) 2.400730e-04 4.665 5.150 + +! Reaction index: Chemkin #1991; RMG #1991 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C4H8(157), C4H7(156); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C10H20L(76)<=>C4H7(156)+LC10(3) 2.400730e-04 4.665 5.150 + +! Reaction index: Chemkin #1992; RMG #1992 +! Template reaction: H_Abstraction +! Flux pairs: C4H7(156), C4H8(157); C3H5R(12), C3H4R(78); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H5R(12)+C4H7(156)<=>C3H4R(78)+C4H8(157) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #1993; RMG #1993 +! Template reaction: H_Abstraction +! Flux pairs: C4H8(157), C4H7(156); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C4H8(157)<=>CC(C)L(13)+C4H7(156) 5.034000e-05 4.890 4.320 + +! Reaction index: Chemkin #1994; RMG #1994 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C4H8(157), C4H7(156); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C[CH]CC(C)L(7)<=>C4H7(156)+CCCC(C)L(16) 2.400730e-04 4.665 5.150 + +! Reaction index: Chemkin #1995; RMG #1995 +! Template reaction: H_Abstraction +! Flux pairs: C4H7(156), C4H8(157); C3H6(18), C3H5(102); +! Estimated using template [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H6(18)+C4H7(156)<=>C3H5(102)+C4H8(157) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #1996; RMG #1996 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C4H8(157), C4H7(156); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+[CH2]C(C)CR(6)<=>C4H7(156)+CC(C)CR(20) 5.034000e-05 4.890 4.320 + +! Reaction index: Chemkin #1997; RMG #1997 +! Template reaction: H_Abstraction +! Flux pairs: C4H8(157), C4H7(156); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]R(14)+C4H8(157)<=>CR(22)+C4H7(156) 5.034000e-05 4.890 4.320 + +! Reaction index: Chemkin #1998; RMG #1998 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C4H8(157), C4H7(156); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C7H14R(9)<=>C4H7(156)+CC(C)CC(C)CR(23) 5.034000e-05 4.890 4.320 + +! Reaction index: Chemkin #1999; RMG #1999 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(24), C5H8L(89); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C5H9L(24)<=>C4H8(157)+C5H8L(89) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #2000; RMG #2000 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C4H8(157), C4H7(156); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C6H12L(11)<=>C4H7(156)+CC(C)CC(C)L(25) 5.034000e-05 4.890 4.320 + +! Reaction index: Chemkin #2001; RMG #2001 +! Template reaction: H_Abstraction +! Flux pairs: C4H8(157), C4H7(156); C[CH]L(8), CCL(26); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C[CH]L(8)+C4H8(157)<=>CCL(26)+C4H7(156) 2.400730e-04 4.665 5.150 + +! Reaction index: Chemkin #2002; RMG #2002 +! Template reaction: H_Abstraction +! Flux pairs: C4H8(157), C4H7(156); C[CH]CR(10), CCCR(27); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C[CH]CR(10)+C4H8(157)<=>CCCR(27)+C4H7(156) 2.400730e-04 4.665 5.150 + +! Reaction index: Chemkin #2003; RMG #2003 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C4H8(157), C4H7(156); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C[CH]CC(C)CR(5)<=>C4H7(156)+CCCC(C)CR(32) 2.400730e-04 4.665 5.150 + +! Reaction index: Chemkin #2004; RMG #2004 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C4H8(157), C4H7(156); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C8H16L(15)<=>C4H7(156)+C8H17L(49) 2.400730e-04 4.665 5.150 + +! Reaction index: Chemkin #2005; RMG #2005 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C4H7(156), C4H8(157); +! Estimated using template [C/H/Cs2Cd;C_rad/H2/Cd] for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7(156)+C6H11R(56)<=>C4H8(157)+C6H10R(90) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #2006; RMG #2006 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); C4H7(156), C4H8(157); +! Estimated using template [C/H/Cs2Cd;C_rad/H2/Cd] for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7(156)+C5H9L(57)<=>C4H8(157)+C5H8L(77) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #2007; RMG #2007 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(89); C4H7(156), C4H8(157); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.4142135623730951 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7(156)+C5H9L(57)<=>C4H8(157)+C5H8L(89) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #2008; RMG #2008 +! Template reaction: H_Abstraction +! Flux pairs: C4H7(156), C4H8(157); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.4142135623730951 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H5R(58)+C4H7(156)<=>C3H4R(78)+C4H8(157) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #2009; RMG #2009 +! Template reaction: H_Abstraction +! Flux pairs: C4H7(156), C4H8(157); C3H5L(59), C3H4L(147); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.4142135623730951 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H5L(59)+C4H7(156)<=>C3H4L(147)+C4H8(157) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #2010; RMG #2010 +! Template reaction: H_Abstraction +! Flux pairs: C4H7(156), C4H8(157); C4H7R(60), C4H6R(79); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7R(60)+C4H7(156)<=>C4H6R(79)+C4H8(157) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #2011; RMG #2011 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C4H7(156), C4H8(157); +! Estimated using template [C/H/Cs2Cd;C_rad/H2/Cd] for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7(156)+C8H15L(61)<=>C4H8(157)+C8H14L(112) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #2012; RMG #2012 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C7H13R(62)<=>C4H8(157)+C7H12R(108) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #2013; RMG #2013 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H10L(103); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C6H11L(63)<=>C4H8(157)+C6H10L(103) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #2014; RMG #2014 +! Template reaction: H_Abstraction +! Flux pairs: C4H8(157), C4H7(156); CH3(74), C(75); +! Matched reaction 760 CH3_r3 + C4H8 <=> CH4b + C4H7 in H_Abstraction/training +! This reaction matched rate rule [C_methane;C_rad/H2/Cd\Cs_Cd\H2] +! family: H_Abstraction +CH3(74)+C4H8(157)<=>C(75)+C4H7(156) 1.188000e-01 4.260 7.550 + +! Reaction index: Chemkin #2015; RMG #2015 +! Template reaction: H_Abstraction +! Flux pairs: C4H7(156), C4H8(157); C4H7R(81), C4H6R(79); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +C4H7R(81)+C4H7(156)<=>C4H6R(79)+C4H8(157) 1.740000e-02 4.340 13.600 + +! Reaction index: Chemkin #2016; RMG #2016 +! Template reaction: H_Abstraction +! Flux pairs: C4H8(157), C4H7(156); H(82), [H][H](83); +! Matched reaction 759 H + C4H8 <=> H2 + C4H7 in H_Abstraction/training +! This reaction matched rate rule [H2;C_rad/H2/Cd\Cs_Cd\H2] +! family: H_Abstraction +H(82)+C4H8(157)<=>[H][H](83)+C4H7(156) 5.028000e+03 3.180 4.370 + +! Reaction index: Chemkin #2017; RMG #2017 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(84), C5H8L(77); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C5H9L(84)<=>C4H8(157)+C5H8L(77) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #2018; RMG #2018 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C4H8(157), C4H7(156); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C7H15(85)<=>C4H7(156)+CC(C)CC(C)C(87) 5.034000e-05 4.890 4.320 + +! Reaction index: Chemkin #2019; RMG #2019 +! Template reaction: H_Abstraction +! Flux pairs: C4H8(157), C4H7(156); C[CH]C(94), CCC(95); +! Estimated using template [C/H3/Cd;C_rad/H/Cs\H3/Cs\H3] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C[CH]C(94)+C4H8(157)<=>CCC(95)+C4H7(156) 2.016000e-03 4.340 4.700 + +! Reaction index: Chemkin #2020; RMG #2020 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(98), C6H10R(90); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C6H11R(98)<=>C4H8(157)+C6H10R(90) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #2021; RMG #2021 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); C4H7(156), C4H8(157); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +C4H7(156)+C6H11L(107)<=>C4H8(157)+C6H10L(103) 1.740000e-02 4.340 13.600 + +! Reaction index: Chemkin #2022; RMG #2022 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C4H7(156), C4H8(157); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7(156)+C6H10(110)<=>C4H8(157)+C6H9(113) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #2023; RMG #2023 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H7(156)+C6H9(114)<=>C4H8(157)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2024; RMG #2024 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H7(156)+C6H9(114)<=>C4H8(157)+C6H8(118) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2025; RMG #2025 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C6H10(116)<=>C4H8(157)+C6H9(114) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #2026; RMG #2026 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCd;C_rad/H2/Cd] for rate rule [C/H2/CdCd;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C6H8(118)<=>C4H8(157)+C6H7(123) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #2027; RMG #2027 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); C4H7(156), C4H8(157); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +C4H7(156)+C7H13R(120)<=>C4H8(157)+C7H12R(108) 1.740000e-02 4.340 13.600 + +! Reaction index: Chemkin #2028; RMG #2028 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCd;C_rad/H2/Cd] for rate rule [C/H2/CdCd;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C6H8(125)<=>C4H8(157)+C6H7(123) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #2029; RMG #2029 +! Library reaction: restart +! Flux pairs: H(82), C4H8(157); C4H7(156), C4H8(157); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- +! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing +! Multiplied by reaction path degeneracy 2.0 +H(82)+C4H7(156)<=>C4H8(157) 3.251960e+13 0.255 0.000 + +! Reaction index: Chemkin #2030; RMG #2030 +! Library reaction: restart +! Flux pairs: C4H7(156), C4H8(157); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]CR(10)+C4H7(156)<=>C3H5R(12)+C4H8(157) 2.451710e+27 -4.376 5.972 + +! Reaction index: Chemkin #2031; RMG #2031 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C[CH]CC(C)CR(5)<=>C4H8(157)+C6H11R(17) 2.451710e+27 -4.376 5.805 + +! Reaction index: Chemkin #2032; RMG #2032 +! Library reaction: restart +! Flux pairs: C4H7(156), C4H8(157); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C[CH]C(94)+C4H7(156)<=>C3H6(18)+C4H8(157) 4.903420e+27 -4.376 5.879 + +! Reaction index: Chemkin #2033; RMG #2033 +! Library reaction: restart +! Flux pairs: C4H7(156), C4H8(157); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]L(8)+C4H7(156)<=>C2H3L(19)+C4H8(157) 2.451710e+27 -4.376 5.972 + +! Reaction index: Chemkin #2034; RMG #2034 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C8H16L(15)<=>C4H8(157)+C8H15L(21) 2.451710e+27 -4.376 5.805 + +! Reaction index: Chemkin #2035; RMG #2035 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C[CH]CC(C)L(7)<=>C4H8(157)+C5H9L(24) 2.451710e+27 -4.376 5.805 + +! Reaction index: Chemkin #2036; RMG #2036 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H7(156)+C[CH]CC(C)CR(5)<=>C4H8(157)+C6H11R(56) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2037; RMG #2037 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H7(156)+C[CH]CC(C)L(7)<=>C4H8(157)+C5H9L(57) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2038; RMG #2038 +! Library reaction: restart +! Flux pairs: C4H7(156), C4H8(157); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C[CH]CR(10)+C4H7(156)<=>C3H5R(58)+C4H8(157) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2039; RMG #2039 +! Library reaction: restart +! Flux pairs: C4H7(156), C4H8(157); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C4H7(156)<=>C3H5L(59)+C4H8(157) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #2040; RMG #2040 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H8(157); C4H7(156), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C4H7(156)+[CH2]C(C)CR(6)<=>C4H7R(60)+C4H8(157) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #2041; RMG #2041 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H7(156)+C8H16L(15)<=>C4H8(157)+C8H15L(61) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2042; RMG #2042 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C4H7(156)+C7H14R(9)<=>C4H8(157)+C7H13R(62) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #2043; RMG #2043 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C4H7(156)+C6H12L(11)<=>C4H8(157)+C6H11L(63) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #2044; RMG #2044 +! Library reaction: restart +! Flux pairs: C4H7(156), C[C]1CC1(158); +! Estimated from node Backbone0 +C4H7(156)<=>C[C]1CC1(158) 1.014560e+05 2.304 29.056 + +! Reaction index: Chemkin #2045; RMG #2045 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H6(18), C9H15(159); C6H9(114), C9H15(159); +! From training reaction 242 used for Cds-HH_Cds-Cs\H3/H;CsJ-CdCsH +! Exact match found for rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-CdCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H6(18)+C6H9(114)<=>C9H15(159) 3.860000e+03 2.410 11.370 + +! Reaction index: Chemkin #2046; RMG #2046 +! Library reaction: restart +! Flux pairs: H(82), C6H10(116); C6H9(160), C6H10(116); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO +! Multiplied by reaction path degeneracy 2.0 +H(82)+C6H9(160)<=>C6H10(116) 7.360220e+13 -0.486 0.000 + +! Reaction index: Chemkin #2047; RMG #2047 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H10(116)<=>CC(C)CR(20)+C6H9(160) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2048; RMG #2048 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C6H10(116)<=>CCCR(27)+C6H9(160) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2049; RMG #2049 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C[CH]CC(C)CR(5)<=>C6H9(160)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2050; RMG #2050 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H10(116)<=>CC(C)L(13)+C6H9(160) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2051; RMG #2051 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C7H14R(9)<=>C6H9(160)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2052; RMG #2052 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H10(116)<=>CCCC(C)L(16)+C6H9(160) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2053; RMG #2053 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C6H10(116)<=>CCL(26)+C6H9(160) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2054; RMG #2054 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C6H12L(11)<=>C6H9(160)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2055; RMG #2055 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H10(116); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]CR(10)+C6H9(160)<=>C3H5R(12)+C6H10(116) 2.451710e+27 -4.376 7.628 + +! Reaction index: Chemkin #2056; RMG #2056 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C6H10(116)<=>CR(22)+C6H9(160) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2057; RMG #2057 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C[CH]CC(C)CR(5)<=>C6H10(116)+C6H11R(17) 2.451710e+27 -4.376 7.433 + +! Reaction index: Chemkin #2058; RMG #2058 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H10(116); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C[CH]C(94)+C6H9(160)<=>C3H6(18)+C6H10(116) 4.903420e+27 -4.376 7.519 + +! Reaction index: Chemkin #2059; RMG #2059 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H10(116); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]L(8)+C6H9(160)<=>C2H3L(19)+C6H10(116) 2.451710e+27 -4.376 7.628 + +! Reaction index: Chemkin #2060; RMG #2060 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C8H16L(15)<=>C6H10(116)+C8H15L(21) 2.451710e+27 -4.376 7.433 + +! Reaction index: Chemkin #2061; RMG #2061 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H10(116); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]CC(C)L(7)+C6H9(160)<=>C5H9L(24)+C6H10(116) 2.451710e+27 -4.376 7.433 + +! Reaction index: Chemkin #2062; RMG #2062 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C[CH]CC(C)CR(5)<=>C6H10(116)+C6H11R(56) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2063; RMG #2063 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H10(116); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C[CH]CC(C)L(7)+C6H9(160)<=>C5H9L(57)+C6H10(116) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2064; RMG #2064 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H10(116); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C[CH]CR(10)+C6H9(160)<=>C3H5R(58)+C6H10(116) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2065; RMG #2065 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H10(116); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C6H9(160)<=>C3H5L(59)+C6H10(116) 1.051630e+14 -0.550 0.110 + +! Reaction index: Chemkin #2066; RMG #2066 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H10(116); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C6H9(160)<=>C4H7R(60)+C6H10(116) 1.051630e+14 -0.550 0.110 + +! Reaction index: Chemkin #2067; RMG #2067 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C8H16L(15)<=>C6H10(116)+C8H15L(61) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2068; RMG #2068 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C6H9(160)+C7H14R(9)<=>C6H10(116)+C7H13R(62) 1.051630e+14 -0.550 0.000 + +! Reaction index: Chemkin #2069; RMG #2069 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C6H9(160)+C6H12L(11)<=>C6H10(116)+C6H11L(63) 1.051630e+14 -0.550 0.000 + +! Reaction index: Chemkin #2070; RMG #2070 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C6H9(160), C6H10(116); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9(160)+RC10L(1)<=>C6H10(116)+C9H17LR(65) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #2071; RMG #2071 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C9H17LR(66)<=>C6H9(160)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2072; RMG #2072 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C9H17LR(67)<=>C6H9(160)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2073; RMG #2073 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C9H17LR(68)<=>C6H9(160)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2074; RMG #2074 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C6H9(160), C6H10(116); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9(160)+RC10L(1)<=>C6H10(116)+C9H17LR(69) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #2075; RMG #2075 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C9H17LR(70)<=>C6H9(160)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2076; RMG #2076 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C9H17LR(71)<=>C6H9(160)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2077; RMG #2077 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C6H9(160), C6H10(116); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9(160)+RC10L(1)<=>C6H10(116)+C9H17LR(72) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #2078; RMG #2078 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C9H17LR(73)<=>C6H9(160)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2079; RMG #2079 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(160), C6H10(116); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 8.0 +! family: H_Abstraction +C(75)+C6H9(160)<=>CH3(74)+C6H10(116) 8.480000e-02 4.340 24.900 + +! Reaction index: Chemkin #2080; RMG #2080 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(160), C6H10(116); C5H9L(57), C5H8L(77); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(57)+C6H9(160)<=>C5H8L(77)+C6H10(116) 2.300000e-03 4.340 9.300 + +! Reaction index: Chemkin #2081; RMG #2081 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); C5H8L(77), C5H9L(84); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(77)+C6H10(116)<=>C5H9L(84)+C6H9(160) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #2082; RMG #2082 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); C3H4R(78), C3H5R(12); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C6H10(116)<=>C3H5R(12)+C6H9(160) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #2083; RMG #2083 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C6H10(116)<=>C3H5R(58)+C6H9(160) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2084; RMG #2084 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); C4H6R(79), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C6H10(116)<=>C4H7R(60)+C6H9(160) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #2085; RMG #2085 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C6H10(116)<=>C4H7R(81)+C6H9(160) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2086; RMG #2086 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(160), C6H10(116); [H][H](83), H(82); +! From training reaction 790 used for H2;C_rad/H/CdCs +! Exact match found for rate rule [H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +! Ea raised from 92.9 to 93.1 kJ/mol to match endothermicity of reaction. +! Ea raised from 93.1 to 93.1 kJ/mol to match endothermicity of reaction. +[H][H](83)+C6H9(160)<=>H(82)+C6H10(116) 9.160000e-02 4.340 22.252 + +! Reaction index: Chemkin #2087; RMG #2087 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C7H15(85)<=>C6H9(160)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2088; RMG #2088 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); C5H8L(89), C5H9L(24); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C6H10(116)<=>C5H9L(24)+C6H9(160) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #2089; RMG #2089 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); C5H8L(89), C5H9L(57); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C6H10(116)<=>C5H9L(57)+C6H9(160) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2090; RMG #2090 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C6H9(160), C6H10(116); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9(160)+C6H11R(56)<=>C6H10(116)+C6H10R(90) 2.300000e-03 4.340 9.300 + +! Reaction index: Chemkin #2091; RMG #2091 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C6H10R(90)<=>C6H9(160)+C6H11R(98) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #2092; RMG #2092 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(160), C6H10(116); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CCC(95)+C6H9(160)<=>C[CH]C(94)+C6H10(116) 2.952000e-02 4.340 18.000 + +! Reaction index: Chemkin #2093; RMG #2093 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(160), C6H10(116); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H6(18)+C6H9(160)<=>C3H5(102)+C6H10(116) 5.382000e-03 4.340 14.300 + +! Reaction index: Chemkin #2094; RMG #2094 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H11L(63); C6H10L(103), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C6H10(116)<=>C6H9(160)+C6H11L(63) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #2095; RMG #2095 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H11L(107); C6H10L(103), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C6H10(116)<=>C6H9(160)+C6H11L(107) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2096; RMG #2096 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C7H12R(108)<=>C6H9(160)+C7H13R(62) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #2097; RMG #2097 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C7H12R(108)<=>C6H9(160)+C7H13R(120) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2098; RMG #2098 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C6H9(160), C6H10(116); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9(160)+C8H15L(61)<=>C6H10(116)+C8H14L(112) 2.300000e-03 4.340 9.300 + +! Reaction index: Chemkin #2099; RMG #2099 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H10(116); C6H9(160), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H9(160)+C6H10(110)<=>C6H9(113)+C6H10(116) 5.382000e-03 4.340 14.300 + +! Reaction index: Chemkin #2100; RMG #2100 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H10(116); C6H9(160), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H9(160)+C6H10(116)<=>C6H9(114)+C6H10(116) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #2101; RMG #2101 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); C6H9(160), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C6H9(114)<=>C6H8(118)+C6H10(116) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2102; RMG #2102 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C8H16L(15)<=>C6H9(160)+C8H17L(49) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2103; RMG #2103 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C10H20R(64)<=>C6H9(160)+RC10(2) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2104; RMG #2104 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C10H20L(76)<=>C6H9(160)+LC10(3) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2105; RMG #2105 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(160), C6H10(116); C6H8(118), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(118)+C6H9(160)<=>C6H7(123)+C6H10(116) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #2106; RMG #2106 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(160), C6H10(116); C6H8(125), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(125)+C6H9(160)<=>C6H7(123)+C6H10(116) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #2107; RMG #2107 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C9H17LR(65)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2108; RMG #2108 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C9H17LR(69)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2109; RMG #2109 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C9H17LR(66)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2110; RMG #2110 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C9H17LR(68)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2111; RMG #2111 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C9H17LR(72)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2112; RMG #2112 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C9H17LR(73)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2113; RMG #2113 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C9H17LR(71)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2114; RMG #2114 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C9H17LR(67)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2115; RMG #2115 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C9H17LR(70)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2116; RMG #2116 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C10H20R(64)<=>C6H8(125)+RC10(2) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2117; RMG #2117 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C10H20L(76)<=>C6H8(125)+LC10(3) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2118; RMG #2118 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4R(78)+C6H9(160)<=>C3H5R(12)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2119; RMG #2119 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +[CH2]C(C)L(4)+C6H9(160)<=>CC(C)L(13)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2120; RMG #2120 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C[CH]CC(C)L(7)+C6H9(160)<=>CCCC(C)L(16)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2121; RMG #2121 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C3H5(102)+C6H9(160)<=>C3H6(18)+C6H8(125) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #2122; RMG #2122 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +[CH2]C(C)CR(6)+C6H9(160)<=>CC(C)CR(20)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2123; RMG #2123 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +[CH2]R(14)+C6H9(160)<=>CR(22)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2124; RMG #2124 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C7H14R(9)<=>C6H8(125)+CC(C)CC(C)CR(23) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2125; RMG #2125 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H8L(89)+C6H9(160)<=>C5H9L(24)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2126; RMG #2126 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C6H12L(11)<=>C6H8(125)+CC(C)CC(C)L(25) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2127; RMG #2127 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C[CH]L(8)+C6H9(160)<=>CCL(26)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2128; RMG #2128 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C[CH]CR(10)+C6H9(160)<=>CCCR(27)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2129; RMG #2129 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C[CH]CC(C)CR(5)<=>C6H8(125)+CCCC(C)CR(32) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2130; RMG #2130 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C6H10R(90)<=>C6H8(125)+C6H11R(56) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2131; RMG #2131 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H8L(77)+C6H9(160)<=>C5H9L(57)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2132; RMG #2132 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H8L(89)+C6H9(160)<=>C5H9L(57)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2133; RMG #2133 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4R(78)+C6H9(160)<=>C3H5R(58)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2134; RMG #2134 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C3H4L(147)+C6H9(160)<=>C3H5L(59)+C6H8(125) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #2135; RMG #2135 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(79)+C6H9(160)<=>C4H7R(60)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2136; RMG #2136 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C8H14L(112)<=>C6H8(125)+C8H15L(61) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2137; RMG #2137 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C7H12R(108)<=>C6H8(125)+C7H13R(62) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2138; RMG #2138 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C6H10L(103)<=>C6H8(125)+C6H11L(63) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2139; RMG #2139 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C6H9(160)<=>C(75)+C6H8(125) 1.150000e+13 -0.320 0.000 +DUPLICATE + +! Reaction index: Chemkin #2140; RMG #2140 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 4.0 +CH3(74)+C6H9(160)<=>C(75)+C6H8(125) 1.824940e+13 -0.160 0.000 +DUPLICATE + +! Reaction index: Chemkin #2141; RMG #2141 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(79)+C6H9(160)<=>C4H7R(81)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2142; RMG #2142 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 4.0 +H(82)+C6H9(160)<=>[H][H](83)+C6H8(125) 2.383380e+10 0.568 0.000 + +! Reaction index: Chemkin #2143; RMG #2143 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H8L(77)+C6H9(160)<=>C5H9L(84)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2144; RMG #2144 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C7H15(85)<=>C6H8(125)+CC(C)CC(C)C(87) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2145; RMG #2145 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C[CH]C(94)+C6H9(160)<=>CCC(95)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2146; RMG #2146 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C6H10R(90)<=>C6H8(125)+C6H11R(98) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2147; RMG #2147 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C6H10L(103)<=>C6H8(125)+C6H11L(107) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2148; RMG #2148 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C6H9(113)<=>C6H8(125)+C6H10(110) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2149; RMG #2149 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C6H9(160)+C6H9(114)<=>C6H8(125)+C6H10(116) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #2150; RMG #2150 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H10(116); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C6H9(160)+C6H9(160)<=>C6H8(125)+C6H10(116) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #2151; RMG #2151 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C7H12R(108)<=>C6H8(125)+C7H13R(120) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2152; RMG #2152 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C8H16L(15)<=>C6H8(125)+C8H17L(49) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2153; RMG #2153 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C6H7(123)+C6H9(160)<=>C6H8(118)+C6H8(125) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #2154; RMG #2154 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C6H7(123)+C6H9(160)<=>C6H8(125)+C6H8(125) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #2155; RMG #2155 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C6H9(160); C6H8(125), C6H9(160); +! From training reaction 11 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ +! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C6H8(125)<=>C6H9(160) 1.650000e+09 1.480 0.900 + +! Reaction index: Chemkin #2156; RMG #2156 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C6H10(116)<=>C3H5L(59)+C6H9(160) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #2157; RMG #2157 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C6H10(116)<=>C4H8(157)+C6H9(160) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #2158; RMG #2158 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C4H7(156)+C6H9(160)<=>C4H8(157)+C6H8(125) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #2159; RMG #2159 +! Library reaction: restart +! Flux pairs: C6H9(161), C6H9(160); +! Estimated from node Backbone2_Sp-3R!H=1R!H_N-4R!H->S +C6H9(161)<=>C6H9(160) 1.572550e+29 -4.713 38.627 + +! Reaction index: Chemkin #2160; RMG #2160 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H4L(147), C8H11L2(162); C5H7L(104), C8H11L2(162); +! Estimated using template [Cds-HH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C3H4L(147)+C5H7L(104)<=>C8H11L2(162) 5.640000e+04 2.410 8.390 + +! Reaction index: Chemkin #2161; RMG #2161 +! Template reaction: R_Recombination +! Flux pairs: C3H5(102), C6H10(163); C3H5(102), C6H10(163); +! Matched reaction 125 C3H5 + C3H5 <=> C6H10-2 in R_Recombination/training +! This reaction matched rate rule [Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N- +! Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R] +! family: R_Recombination +C3H5(102)+C3H5(102)<=>C6H10(163) 2.040000e+13 0.000 -0.260 + +! Reaction index: Chemkin #2162; RMG #2162 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H5L(91), C8H12L(164); C4H7(156), C8H12L(164); +! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C4H5L(91)+C4H7(156)<=>C8H12L(164) 4.980000e+04 2.410 8.810 + +! Reaction index: Chemkin #2163; RMG #2163 +! Library reaction: restart +! Flux pairs: C3H4R(78), C6H8R2(165); C3H4R(78), C6H8R2(165); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R +C3H4R(78)+C3H4R(78)<=>C6H8R2(165) 1.740640e+13 -0.158 0.000 + +! Reaction index: Chemkin #2164; RMG #2164 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5L(59), C9H14L(166); C6H9(161), C9H14L(166); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C3H5L(59)+C6H9(161)<=>C9H14L(166) 5.580000e+04 2.410 11.220 + +! Reaction index: Chemkin #2165; RMG #2165 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H5L(91), C10H14L(167); C6H9(161), C10H14L(167); +! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C4H5L(91)+C6H9(161)<=>C10H14L(167) 4.980000e+04 2.410 8.810 + +! Reaction index: Chemkin #2166; RMG #2166 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7L(104), C11H16L(168); C6H9(161), C11H16L(168); +! From training reaction 295 used for Cds-HH_Cds-CdCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C5H7L(104)+C6H9(161)<=>C11H16L(168) 5.640000e+04 2.410 8.390 + +! Reaction index: Chemkin #2167; RMG #2167 +! Library reaction: restart +! Flux pairs: H(82), C6H11L(107); C6H10L(169), C6H11L(107); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R_Ext-5R!H-R_Ext-3R!H-R +H(82)+C6H10L(169)<=>C6H11L(107) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #2168; RMG #2168 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H11L(107)<=>CC(C)CR(20)+C6H10L(169) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2169; RMG #2169 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CR(10)+C6H11L(107)<=>CCCR(27)+C6H10L(169) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2170; RMG #2170 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H11L(107), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C[CH]CC(C)CR(5)<=>C6H10L(169)+CCCC(C)CR(32) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2171; RMG #2171 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H11L(107)<=>CC(C)L(13)+C6H10L(169) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2172; RMG #2172 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H11L(107), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C7H14R(9)<=>C6H10L(169)+CC(C)CC(C)CR(23) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2173; RMG #2173 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H11L(107)<=>CCCC(C)L(16)+C6H10L(169) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2174; RMG #2174 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]L(8)+C6H11L(107)<=>CCL(26)+C6H10L(169) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2175; RMG #2175 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H11L(107), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C6H12L(11)<=>C6H10L(169)+CC(C)CC(C)L(25) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2176; RMG #2176 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H10L(169)<=>C3H5R(12)+C6H11L(107) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #2177; RMG #2177 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]R(14)+C6H11L(107)<=>CR(22)+C6H10L(169) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2178; RMG #2178 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H11L(107), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C8H16L(15)<=>C6H10L(169)+C8H17L(49) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2179; RMG #2179 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11L(107); C6H10L(169), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C[CH]CC(C)CR(5)<=>C6H11R(17)+C6H11L(107) 1.225850e+27 -4.376 7.170 + +! Reaction index: Chemkin #2180; RMG #2180 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C6H10L(169)<=>C3H6(18)+C6H11L(107) 2.451710e+27 -4.376 7.254 + +! Reaction index: Chemkin #2181; RMG #2181 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H10L(169)<=>C2H3L(19)+C6H11L(107) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #2182; RMG #2182 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C8H16L(15)<=>C6H11L(107)+C8H15L(21) 1.225850e+27 -4.376 7.170 + +! Reaction index: Chemkin #2183; RMG #2183 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H10L(169)<=>C5H9L(24)+C6H11L(107) 1.225850e+27 -4.376 7.170 + +! Reaction index: Chemkin #2184; RMG #2184 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C[CH]CC(C)CR(5)<=>C6H11L(107)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2185; RMG #2185 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H10L(169)<=>C5H9L(57)+C6H11L(107) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2186; RMG #2186 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H10L(169)<=>C3H5R(58)+C6H11L(107) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2187; RMG #2187 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C6H10L(169)<=>C3H5L(59)+C6H11L(107) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #2188; RMG #2188 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C6H10L(169)<=>C4H7R(60)+C6H11L(107) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #2189; RMG #2189 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C8H16L(15)<=>C6H11L(107)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2190; RMG #2190 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10L(169)+C7H14R(9)<=>C6H11L(107)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #2191; RMG #2191 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(107); C6H10L(169), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10L(169)+C6H12L(11)<=>C6H11L(63)+C6H11L(107) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #2192; RMG #2192 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H11L(107), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C10H20R(64)<=>C6H10L(169)+RC10(2) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2193; RMG #2193 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C6H11L(107), C6H10L(169); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(65)<=>C6H10L(169)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #2194; RMG #2194 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H11L(107), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(66)<=>C6H10L(169)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2195; RMG #2195 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H11L(107), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(67)<=>C6H10L(169)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2196; RMG #2196 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H11L(107), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(68)<=>C6H10L(169)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2197; RMG #2197 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C6H11L(107), C6H10L(169); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(69)<=>C6H10L(169)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #2198; RMG #2198 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H11L(107), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(70)<=>C6H10L(169)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2199; RMG #2199 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H11L(107), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(71)<=>C6H10L(169)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2200; RMG #2200 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C6H11L(107), C6H10L(169); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(72)<=>C6H10L(169)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #2201; RMG #2201 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H11L(107), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C9H17LR(73)<=>C6H10L(169)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2202; RMG #2202 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); CH3(74), C(75); +! From training reaction 1082 used for C/H/Cs2Cd;C_methyl +! Exact match found for rate rule [C/H/Cs2Cd;C_methyl] +! Euclidian distance = 0 +! family: H_Abstraction +CH3(74)+C6H11L(107)<=>C(75)+C6H10L(169) 5.870000e-03 4.340 2.200 + +! Reaction index: Chemkin #2203; RMG #2203 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H11L(107), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C10H20L(76)<=>C6H10L(169)+LC10(3) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2204; RMG #2204 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(169), C6H11L(107); C5H9L(57), C5H8L(77); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C6H10L(169)<=>C5H8L(77)+C6H11L(107) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #2205; RMG #2205 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C5H8L(77), C5H9L(84); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(77)+C6H11L(107)<=>C5H9L(84)+C6H10L(169) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2206; RMG #2206 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C3H4R(78), C3H5R(12); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+C6H11L(107)<=>C3H5R(12)+C6H10L(169) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2207; RMG #2207 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C3H4R(78), C3H5R(58); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+C6H11L(107)<=>C3H5R(58)+C6H10L(169) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #2208; RMG #2208 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C4H6R(79), C4H7R(60); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6R(79)+C6H11L(107)<=>C4H7R(60)+C6H10L(169) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2209; RMG #2209 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6R(79)+C6H11L(107)<=>C4H7R(81)+C6H10L(169) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #2210; RMG #2210 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H11L(107), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C7H15(85)<=>C6H10L(169)+CC(C)CC(C)C(87) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2211; RMG #2211 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C5H8L(89), C5H9L(24); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+C6H11L(107)<=>C5H9L(24)+C6H10L(169) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2212; RMG #2212 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C5H8L(89), C5H9L(57); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+C6H11L(107)<=>C5H9L(57)+C6H10L(169) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #2213; RMG #2213 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H11L(107); C6H10L(169), C6H10R(90); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(169)+C6H11R(56)<=>C6H10R(90)+C6H11L(107) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #2214; RMG #2214 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H11R(98); C6H10R(90), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(90)+C6H11L(107)<=>C6H10L(169)+C6H11R(98) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2215; RMG #2215 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C[CH]C(94), CCC(95); +! From training reaction 1084 used for C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]C(94)+C6H11L(107)<=>CCC(95)+C6H10L(169) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2216; RMG #2216 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C3H5(102), C3H6(18); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5(102)+C6H11L(107)<=>C3H6(18)+C6H10L(169) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #2217; RMG #2217 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H11L(63); C6H10L(103), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(103)+C6H11L(107)<=>C6H10L(169)+C6H11L(63) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2218; RMG #2218 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H11L(107); C6H10L(103), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(103)+C6H11L(107)<=>C6H10L(169)+C6H11L(107) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #2219; RMG #2219 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C6H11L(107), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C7H12R(108)<=>C6H10L(169)+C7H13R(62) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2220; RMG #2220 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C6H11L(107), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C7H12R(108)<=>C6H10L(169)+C7H13R(120) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #2221; RMG #2221 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C6H10L(169), C6H11L(107); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(169)+C8H15L(61)<=>C6H11L(107)+C8H14L(112) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #2222; RMG #2222 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C6H9(113), C6H10(110); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(113)+C6H11L(107)<=>C6H10(110)+C6H10L(169) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #2223; RMG #2223 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C6H9(114), C6H10(116); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(114)+C6H11L(107)<=>C6H10(116)+C6H10L(169) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2224; RMG #2224 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H10L(169)<=>C6H8(118)+C6H11L(107) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2225; RMG #2225 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C6H7(123), C6H8(118); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H7(123)+C6H11L(107)<=>C6H8(118)+C6H10L(169) 2.920000e-03 4.340 12.900 + +! Reaction index: Chemkin #2226; RMG #2226 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C6H7(123), C6H8(125); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H7(123)+C6H11L(107)<=>C6H8(125)+C6H10L(169) 2.920000e-03 4.340 12.900 + +! Reaction index: Chemkin #2227; RMG #2227 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H10L(169)<=>C6H8(125)+C6H11L(107) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2228; RMG #2228 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C6H10L(169)<=>C6H8(125)+C6H11L(107) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2229; RMG #2229 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(147)+C6H11L(107)<=>C3H5L(59)+C6H10L(169) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #2230; RMG #2230 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C4H7(156), C4H8(157); +! Estimated using template [C/H/Cs2Cd;C_rad/H2/Cd] for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7(156)+C6H11L(107)<=>C4H8(157)+C6H10L(169) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #2231; RMG #2231 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C6H9(160), C6H10(116); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9(160)+C6H11L(107)<=>C6H10(116)+C6H10L(169) 2.300000e-03 4.340 9.300 + +! Reaction index: Chemkin #2232; RMG #2232 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); H(82), [H][H](83); +! From training reaction 1081 used for C/H/Cs2Cd;H_rad +! Exact match found for rate rule [C/H/Cs2Cd;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(82)+C6H11L(107)<=>[H][H](83)+C6H10L(169) 2.480000e-01 4.340 0.100 + +! Reaction index: Chemkin #2233; RMG #2233 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H4L(147), C6H9L2(170); C3H5L(59), C6H9L2(170); +! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C3H4L(147)+C3H5L(59)<=>C6H9L2(170) 5.580000e+04 2.410 11.220 + +! Reaction index: Chemkin #2234; RMG #2234 +! Library reaction: restart +! Flux pairs: H(82), C6H11R(17); C6H10R(171), C6H11R(17); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R +H(82)+C6H10R(171)<=>C6H11R(17) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2235; RMG #2235 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H10R(171); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H11R(17)<=>CC(C)CR(20)+C6H10R(171) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2236; RMG #2236 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H10R(171); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C6H11R(17)<=>CCCR(27)+C6H10R(171) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2237; RMG #2237 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H11R(17), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(17)+C[CH]CC(C)CR(5)<=>C6H10R(171)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2238; RMG #2238 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H10R(171); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H11R(17)<=>CC(C)L(13)+C6H10R(171) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2239; RMG #2239 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H11R(17), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(17)+C7H14R(9)<=>C6H10R(171)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2240; RMG #2240 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H10R(171); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H11R(17)<=>CCCC(C)L(16)+C6H10R(171) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2241; RMG #2241 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H10R(171); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C6H11R(17)<=>CCL(26)+C6H10R(171) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2242; RMG #2242 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H11R(17), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(17)+C6H12L(11)<=>C6H10R(171)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2243; RMG #2243 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H10R(171)<=>C3H5R(12)+C6H11R(17) 1.225850e+27 -4.376 7.050 + +! Reaction index: Chemkin #2244; RMG #2244 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H10R(171); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C6H11R(17)<=>CR(22)+C6H10R(171) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2245; RMG #2245 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H11R(17), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(17)+C8H16L(15)<=>C6H10R(171)+C8H17L(49) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2246; RMG #2246 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C[CH]CC(C)CR(5)<=>C6H11R(17)+C6H11R(17) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #2247; RMG #2247 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C6H10R(171)<=>C3H6(18)+C6H11R(17) 2.451710e+27 -4.376 6.946 + +! Reaction index: Chemkin #2248; RMG #2248 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H10R(171)<=>C2H3L(19)+C6H11R(17) 1.225850e+27 -4.376 7.050 + +! Reaction index: Chemkin #2249; RMG #2249 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C8H16L(15)<=>C6H11R(17)+C8H15L(21) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #2250; RMG #2250 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H10R(171)<=>C5H9L(24)+C6H11R(17) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #2251; RMG #2251 +! Library reaction: restart +! Flux pairs: H(82), C6H11R(56); C6H10R(171), C6H11R(56); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- +! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing +H(82)+C6H10R(171)<=>C6H11R(56) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #2252; RMG #2252 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(171); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H11R(56)<=>CC(C)CR(20)+C6H10R(171) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2253; RMG #2253 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(171); C[CH]CR(10), CCCR(27); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]CR(10)+C6H11R(56)<=>CCCR(27)+C6H10R(171) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2254; RMG #2254 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H11R(56), C6H10R(171); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H11R(56)+C[CH]CC(C)CR(5)<=>C6H10R(171)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2255; RMG #2255 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(171); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H11R(56)<=>CC(C)L(13)+C6H10R(171) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2256; RMG #2256 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(171); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H11R(56)<=>CCCC(C)L(16)+C6H10R(171) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2257; RMG #2257 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(171); C[CH]L(8), CCL(26); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]L(8)+C6H11R(56)<=>CCL(26)+C6H10R(171) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2258; RMG #2258 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H11R(56), C6H10R(171); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H11R(56)+C6H12L(11)<=>C6H10R(171)+CC(C)CC(C)L(25) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2259; RMG #2259 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H10R(171)<=>C3H5R(12)+C6H11R(56) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #2260; RMG #2260 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(171); [CH2]R(14), CR(22); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]R(14)+C6H11R(56)<=>CR(22)+C6H10R(171) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2261; RMG #2261 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C[CH]CC(C)CR(5)<=>C6H11R(17)+C6H11R(56) 1.547940e+12 0.025 0.000 +DUPLICATE + +! Reaction index: Chemkin #2262; RMG #2262 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C[CH]CC(C)CR(5)<=>C6H11R(17)+C6H11R(56) 1.225850e+27 -4.376 6.090 +DUPLICATE + +! Reaction index: Chemkin #2263; RMG #2263 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C6H10R(171)<=>C3H6(18)+C6H11R(56) 2.451710e+27 -4.376 6.166 + +! Reaction index: Chemkin #2264; RMG #2264 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H10R(171)<=>C2H3L(19)+C6H11R(56) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #2265; RMG #2265 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C8H16L(15)<=>C6H11R(56)+C8H15L(21) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #2266; RMG #2266 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H10R(171)<=>C5H9L(24)+C6H11R(56) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #2267; RMG #2267 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C[CH]CC(C)CR(5)<=>C6H11R(56)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2268; RMG #2268 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H10R(171)<=>C5H9L(57)+C6H11R(17) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2269; RMG #2269 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H10R(171)<=>C3H5R(58)+C6H11R(17) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2270; RMG #2270 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H10R(171)<=>C5H9L(57)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2271; RMG #2271 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H10R(171)<=>C3H5R(58)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2272; RMG #2272 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C6H10R(171)<=>C3H5L(59)+C6H11R(17) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #2273; RMG #2273 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C6H10R(171)<=>C3H5L(59)+C6H11R(56) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #2274; RMG #2274 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C6H10R(171)<=>C4H7R(60)+C6H11R(17) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #2275; RMG #2275 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+C6H10R(171)<=>C4H7R(60)+C6H11R(56) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #2276; RMG #2276 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C7H14R(9)<=>C6H11R(17)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #2277; RMG #2277 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11R(17); C6H10R(171), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C6H12L(11)<=>C6H11L(63)+C6H11R(17) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #2278; RMG #2278 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H11R(17), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(17)+C10H20R(64)<=>C6H10R(171)+RC10(2) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2279; RMG #2279 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C8H16L(15)<=>C6H11R(17)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2280; RMG #2280 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C6H10R(171), C6H11R(17); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+RC10L(1)<=>C6H11R(17)+C9H17LR(65) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #2281; RMG #2281 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C8H16L(15)<=>C6H11R(56)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2282; RMG #2282 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H10R(171)+C7H14R(9)<=>C6H11R(56)+C7H13R(62) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #2283; RMG #2283 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11R(56); C6H10R(171), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H10R(171)+C6H12L(11)<=>C6H11L(63)+C6H11R(56) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #2284; RMG #2284 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H11R(56), C6H10R(171); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H11R(56)+C7H14R(9)<=>C6H10R(171)+CC(C)CC(C)CR(23) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2285; RMG #2285 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H11R(56), C6H10R(171); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H11R(56)+C8H16L(15)<=>C6H10R(171)+C8H17L(49) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2286; RMG #2286 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H11R(56), C6H10R(171); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H11R(56)+C10H20R(64)<=>C6H10R(171)+RC10(2) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2287; RMG #2287 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C6H10R(171), C6H11R(56); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+RC10L(1)<=>C6H11R(56)+C9H17LR(65) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #2288; RMG #2288 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H11R(56), C6H10R(171); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H11R(56)+C9H17LR(66)<=>C6H10R(171)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2289; RMG #2289 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H11R(56), C6H10R(171); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H11R(56)+C9H17LR(67)<=>C6H10R(171)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2290; RMG #2290 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H11R(56), C6H10R(171); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H11R(56)+C9H17LR(68)<=>C6H10R(171)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2291; RMG #2291 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C6H10R(171), C6H11R(56); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+RC10L(1)<=>C6H11R(56)+C9H17LR(69) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #2292; RMG #2292 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H11R(56), C6H10R(171); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H11R(56)+C9H17LR(70)<=>C6H10R(171)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2293; RMG #2293 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H11R(56), C6H10R(171); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H11R(56)+C9H17LR(71)<=>C6H10R(171)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2294; RMG #2294 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C6H10R(171), C6H11R(56); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+RC10L(1)<=>C6H11R(56)+C9H17LR(72) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #2295; RMG #2295 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H11R(17), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(17)+C9H17LR(66)<=>C6H10R(171)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2296; RMG #2296 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H11R(17), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(17)+C9H17LR(67)<=>C6H10R(171)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2297; RMG #2297 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H11R(17), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(17)+C9H17LR(68)<=>C6H10R(171)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2298; RMG #2298 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C6H10R(171), C6H11R(17); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+RC10L(1)<=>C6H11R(17)+C9H17LR(69) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #2299; RMG #2299 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H11R(17), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(17)+C9H17LR(70)<=>C6H10R(171)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2300; RMG #2300 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H11R(17), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(17)+C9H17LR(71)<=>C6H10R(171)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2301; RMG #2301 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C6H10R(171), C6H11R(17); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+RC10L(1)<=>C6H11R(17)+C9H17LR(72) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #2302; RMG #2302 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H11R(17), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(17)+C9H17LR(73)<=>C6H10R(171)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2303; RMG #2303 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H11R(56), C6H10R(171); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H11R(56)+C9H17LR(73)<=>C6H10R(171)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2304; RMG #2304 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C6H10R(171)<=>CH3(74)+C6H11R(17) 4.240000e-02 4.340 24.900 + +! Reaction index: Chemkin #2305; RMG #2305 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(171); CH3(74), C(75); +! From training reaction 758 used for C/H3/Cd\H_Cd\H\Cs;C_methyl +! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +CH3(74)+C6H11R(56)<=>C(75)+C6H10R(171) 7.200000e-02 4.250 7.530 + +! Reaction index: Chemkin #2306; RMG #2306 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H11R(17), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(17)+C10H20L(76)<=>C6H10R(171)+LC10(3) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2307; RMG #2307 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H11R(56), C6H10R(171); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H11R(56)+C10H20L(76)<=>C6H10R(171)+LC10(3) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2308; RMG #2308 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); C5H9L(57), C5H8L(77); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C6H10R(171)<=>C5H8L(77)+C6H11R(17) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2309; RMG #2309 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H10R(171); C5H8L(77), C5H9L(84); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(77)+C6H11R(17)<=>C5H9L(84)+C6H10R(171) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #2310; RMG #2310 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C5H9L(57), C5H8L(77); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C6H10R(171)<=>C5H8L(77)+C6H11R(56) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #2311; RMG #2311 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C6H10R(171)<=>C5H8L(77)+C6H11R(56) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2312; RMG #2312 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H10R(171); C3H4R(78), C3H5R(12); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C6H11R(17)<=>C3H5R(12)+C6H10R(171) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #2313; RMG #2313 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H10R(171); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C6H11R(17)<=>C3H5R(58)+C6H10R(171) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2314; RMG #2314 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C6H10R(171)<=>C3H4R(78)+C6H11R(56) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2315; RMG #2315 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+C6H10R(171)<=>C3H4R(78)+C6H11R(56) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #2316; RMG #2316 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H10R(171); C4H6R(79), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C6H11R(17)<=>C4H7R(60)+C6H10R(171) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #2317; RMG #2317 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H10R(171); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C6H11R(17)<=>C4H7R(81)+C6H10R(171) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2318; RMG #2318 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C6H10R(171)<=>C4H6R(79)+C6H11R(56) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2319; RMG #2319 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C6H10R(171)<=>C4H6R(79)+C6H11R(56) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #2320; RMG #2320 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(171); H(82), [H][H](83); +! From training reaction 756 used for C/H3/Cd\H_Cd\H\Cs;H_rad +! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +H(82)+C6H11R(56)<=>[H][H](83)+C6H10R(171) 3.360000e+03 3.140 4.290 + +! Reaction index: Chemkin #2321; RMG #2321 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); [H][H](83), H(82); +! From training reaction 790 used for H2;C_rad/H/CdCs +! Exact match found for rate rule [H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[H][H](83)+C6H10R(171)<=>H(82)+C6H11R(17) 4.580000e-02 4.340 22.200 + +! Reaction index: Chemkin #2322; RMG #2322 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H11R(17), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(17)+C7H15(85)<=>C6H10R(171)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2323; RMG #2323 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H11R(56), C6H10R(171); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H11R(56)+C7H15(85)<=>C6H10R(171)+CC(C)CC(C)C(87) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2324; RMG #2324 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C6H10R(171)<=>C5H8L(89)+C6H11R(17) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #2325; RMG #2325 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H10R(171); C5H8L(89), C5H9L(57); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C6H11R(17)<=>C5H9L(57)+C6H10R(171) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2326; RMG #2326 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C6H10R(171)<=>C5H8L(89)+C6H11R(56) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2327; RMG #2327 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C5H9L(57), C5H8L(89); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H9L(57)+C6H10R(171)<=>C5H8L(89)+C6H11R(56) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #2328; RMG #2328 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H11R(17); C6H10R(171), C6H10R(90); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+C6H11R(56)<=>C6H10R(90)+C6H11R(17) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2329; RMG #2329 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H11R(98); C6H10R(90), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(90)+C6H11R(17)<=>C6H10R(171)+C6H11R(98) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #2330; RMG #2330 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H11R(56); C6H10R(171), C6H10R(90); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+C6H11R(56)<=>C6H10R(90)+C6H11R(56) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #2331; RMG #2331 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(98), C6H11R(56); C6H10R(171), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C6H11R(98)<=>C6H10R(90)+C6H11R(56) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2332; RMG #2332 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C6H10R(171)<=>C[CH]C(94)+C6H11R(17) 1.476000e-02 4.340 18.000 + +! Reaction index: Chemkin #2333; RMG #2333 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); CCC(95), C[CH]C(94); +! From training reaction 913 used for C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C6H10R(171)<=>C[CH]C(94)+C6H11R(56) 2.920000e-02 4.340 16.600 + +! Reaction index: Chemkin #2334; RMG #2334 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C6H10R(171)<=>C3H5(102)+C6H11R(17) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #2335; RMG #2335 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C3H6(18), C3H5(102); +! From training reaction 3027 used for C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C6H10R(171)<=>C3H5(102)+C6H11R(56) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #2336; RMG #2336 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H11R(17); C6H10R(171), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C6H11L(63)<=>C6H10L(103)+C6H11R(17) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #2337; RMG #2337 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H11L(107); C6H10L(103), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C6H11R(17)<=>C6H10R(171)+C6H11L(107) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2338; RMG #2338 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H11R(56); C6H10R(171), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C6H11L(63)<=>C6H10L(103)+C6H11R(56) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2339; RMG #2339 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H11R(56); C6H10R(171), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H10R(171)+C6H11L(107)<=>C6H10L(103)+C6H11R(56) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #2340; RMG #2340 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C6H10R(171), C6H11R(17); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C7H13R(62)<=>C6H11R(17)+C7H12R(108) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #2341; RMG #2341 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C6H11R(17), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(17)+C7H12R(108)<=>C6H10R(171)+C7H13R(120) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2342; RMG #2342 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C6H10R(171), C6H11R(56); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C7H13R(62)<=>C6H11R(56)+C7H12R(108) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2343; RMG #2343 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); C6H10R(171), C6H11R(56); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H10R(171)+C7H13R(120)<=>C6H11R(56)+C7H12R(108) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #2344; RMG #2344 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C6H10R(171), C6H11R(17); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+C8H15L(61)<=>C6H11R(17)+C8H14L(112) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2345; RMG #2345 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C6H10R(171), C6H11R(56); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+C8H15L(61)<=>C6H11R(56)+C8H14L(112) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #2346; RMG #2346 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C6H10R(171)<=>C6H9(113)+C6H11R(17) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #2347; RMG #2347 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C6H10R(171)<=>C6H9(113)+C6H11R(56) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #2348; RMG #2348 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H11R(17); C6H10R(171), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C6H10(116)<=>C6H9(114)+C6H11R(17) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #2349; RMG #2349 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H11R(56); C6H10R(171), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C6H10(116)<=>C6H9(114)+C6H11R(56) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2350; RMG #2350 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H10R(171)<=>C6H8(118)+C6H11R(17) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2351; RMG #2351 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H10R(171)<=>C6H8(118)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2352; RMG #2352 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); C6H8(118), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C6H10R(171)<=>C6H7(123)+C6H11R(17) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #2353; RMG #2353 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); C6H8(125), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C6H10R(171)<=>C6H7(123)+C6H11R(17) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #2354; RMG #2354 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C6H8(118), C6H7(123); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C6H10R(171)<=>C6H7(123)+C6H11R(56) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #2355; RMG #2355 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C6H8(125), C6H7(123); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C6H10R(171)<=>C6H7(123)+C6H11R(56) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #2356; RMG #2356 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H10R(171)<=>C6H8(125)+C6H11R(17) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2357; RMG #2357 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C6H10R(171)<=>C6H8(125)+C6H11R(17) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2358; RMG #2358 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H10R(171)<=>C6H8(125)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2359; RMG #2359 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C6H10R(171)<=>C6H8(125)+C6H11R(56) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2360; RMG #2360 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H10R(171); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C6H11R(17)<=>C3H5L(59)+C6H10R(171) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #2361; RMG #2361 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(171); C3H4L(147), C3H5L(59); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H4L(147)+C6H11R(56)<=>C3H5L(59)+C6H10R(171) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #2362; RMG #2362 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H10R(171); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C6H11R(17)<=>C4H8(157)+C6H10R(171) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #2363; RMG #2363 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(171); C4H7(156), C4H8(157); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.4142135623730951 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7(156)+C6H11R(56)<=>C4H8(157)+C6H10R(171) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #2364; RMG #2364 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H11R(17); C6H10R(171), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C6H10(116)<=>C6H9(160)+C6H11R(17) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #2365; RMG #2365 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H11R(56); C6H10R(171), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C6H10(116)<=>C6H9(160)+C6H11R(56) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2366; RMG #2366 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H11R(17); C6H10R(171), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+C6H11L(107)<=>C6H10L(169)+C6H11R(17) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2367; RMG #2367 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H11R(56); C6H10R(171), C6H10L(169); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+C6H11L(107)<=>C6H10L(169)+C6H11R(56) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #2368; RMG #2368 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H11R(56); C6H10R(171), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C6H11R(17)<=>C6H10R(171)+C6H11R(56) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #2369; RMG #2369 +! Library reaction: restart +! Flux pairs: C7H11LR(143), C7H11LR(172); +! Estimated from node Backbone2_N-Sp-3R!H=1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-4R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-9R!H=8R!H +C7H11LR(143)<=>C7H11LR(172) 9.833340e+10 0.517 17.705 + +! Reaction index: Chemkin #2370; RMG #2370 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: [CH2]R(14), C6H10R(171); C5H8(173), C6H10R(171); +! From training reaction 472 used for Cds-CsH_Cds-CdH;CsJ-CsHH +! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-CsHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +[CH2]R(14)+C5H8(173)<=>C6H10R(171) 1.150000e+03 2.410 3.430 + +! Reaction index: Chemkin #2371; RMG #2371 +! Library reaction: restart +! Flux pairs: H(82), C5H8(173); C5H7(174), C5H8(173); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- +! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing +! Multiplied by reaction path degeneracy 2.0 +H(82)+C5H7(174)<=>C5H8(173) 3.251960e+13 0.255 0.000 + +! Reaction index: Chemkin #2372; RMG #2372 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(173), C5H7(174); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C5H8(173)<=>CC(C)CR(20)+C5H7(174) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2373; RMG #2373 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(173), C5H7(174); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]CR(10)+C5H8(173)<=>CCCR(27)+C5H7(174) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2374; RMG #2374 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C[CH]CC(C)CR(5)<=>C5H7(174)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2375; RMG #2375 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(173), C5H7(174); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C5H8(173)<=>CC(C)L(13)+C5H7(174) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2376; RMG #2376 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C7H14R(9)<=>C5H7(174)+CC(C)CC(C)CR(23) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2377; RMG #2377 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C[CH]CC(C)L(7)<=>C5H7(174)+CCCC(C)L(16) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2378; RMG #2378 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(173), C5H7(174); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]L(8)+C5H8(173)<=>CCL(26)+C5H7(174) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2379; RMG #2379 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C6H12L(11)<=>C5H7(174)+CC(C)CC(C)L(25) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2380; RMG #2380 +! Library reaction: restart +! Flux pairs: C5H7(174), C5H8(173); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]CR(10)+C5H7(174)<=>C3H5R(12)+C5H8(173) 2.451710e+27 -4.376 8.206 + +! Reaction index: Chemkin #2381; RMG #2381 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(173), C5H7(174); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]R(14)+C5H8(173)<=>CR(22)+C5H7(174) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2382; RMG #2382 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C[CH]CC(C)CR(5)<=>C5H8(173)+C6H11R(17) 2.451710e+27 -4.376 8.002 + +! Reaction index: Chemkin #2383; RMG #2383 +! Library reaction: restart +! Flux pairs: C5H7(174), C5H8(173); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C[CH]C(94)+C5H7(174)<=>C3H6(18)+C5H8(173) 4.903420e+27 -4.376 8.092 + +! Reaction index: Chemkin #2384; RMG #2384 +! Library reaction: restart +! Flux pairs: C5H7(174), C5H8(173); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]L(8)+C5H7(174)<=>C2H3L(19)+C5H8(173) 2.451710e+27 -4.376 8.206 + +! Reaction index: Chemkin #2385; RMG #2385 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C8H16L(15)<=>C5H8(173)+C8H15L(21) 2.451710e+27 -4.376 8.002 + +! Reaction index: Chemkin #2386; RMG #2386 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C[CH]CC(C)L(7)<=>C5H8(173)+C5H9L(24) 2.451710e+27 -4.376 8.002 + +! Reaction index: Chemkin #2387; RMG #2387 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C[CH]CC(C)CR(5)<=>C5H8(173)+C6H11R(56) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2388; RMG #2388 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C[CH]CC(C)L(7)<=>C5H8(173)+C5H9L(57) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2389; RMG #2389 +! Library reaction: restart +! Flux pairs: C5H7(174), C5H8(173); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C[CH]CR(10)+C5H7(174)<=>C3H5R(58)+C5H8(173) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2390; RMG #2390 +! Library reaction: restart +! Flux pairs: C5H7(174), C5H8(173); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C5H7(174)<=>C3H5L(59)+C5H8(173) 1.566000e+12 0.000 0.211 + +! Reaction index: Chemkin #2391; RMG #2391 +! Library reaction: restart +! Flux pairs: C5H7(174), C5H8(173); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C5H7(174)<=>C4H7R(60)+C5H8(173) 1.566000e+12 0.000 0.211 + +! Reaction index: Chemkin #2392; RMG #2392 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C8H16L(15)<=>C5H8(173)+C8H15L(61) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2393; RMG #2393 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(174)+C7H14R(9)<=>C5H8(173)+C7H13R(62) 1.566000e+12 0.000 0.172 + +! Reaction index: Chemkin #2394; RMG #2394 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(174)+C6H12L(11)<=>C5H8(173)+C6H11L(63) 1.566000e+12 0.000 0.172 + +! Reaction index: Chemkin #2395; RMG #2395 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C5H7(174), C5H8(173); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(174)+RC10L(1)<=>C5H8(173)+C9H17LR(65) 3.380000e-02 4.340 16.600 + +! Reaction index: Chemkin #2396; RMG #2396 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C9H17LR(66)<=>C5H7(174)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2397; RMG #2397 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C9H17LR(67)<=>C5H7(174)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2398; RMG #2398 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C9H17LR(68)<=>C5H7(174)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2399; RMG #2399 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C5H7(174), C5H8(173); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(174)+RC10L(1)<=>C5H8(173)+C9H17LR(69) 3.380000e-02 4.340 16.600 + +! Reaction index: Chemkin #2400; RMG #2400 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C9H17LR(70)<=>C5H7(174)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2401; RMG #2401 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C9H17LR(71)<=>C5H7(174)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2402; RMG #2402 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C5H7(174), C5H8(173); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(174)+RC10L(1)<=>C5H8(173)+C9H17LR(72) 3.380000e-02 4.340 16.600 + +! Reaction index: Chemkin #2403; RMG #2403 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C9H17LR(73)<=>C5H7(174)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2404; RMG #2404 +! Template reaction: H_Abstraction +! Flux pairs: C5H7(174), C5H8(173); C(75), CH3(74); +! From training reaction 829 used for C_methane;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C_methane;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 8.0 +! family: H_Abstraction +C(75)+C5H7(174)<=>CH3(74)+C5H8(173) 1.120000e-01 4.340 25.080 + +! Reaction index: Chemkin #2405; RMG #2405 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); C5H7(174), C5H8(173); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(174)+C5H9L(57)<=>C5H8(173)+C5H8L(77) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #2406; RMG #2406 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(77), C5H9L(84); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C5H8L(77)<=>C5H7(174)+C5H9L(84) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #2407; RMG #2407 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(173), C5H7(174); C3H4R(78), C3H5R(12); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4R(78)+C5H8(173)<=>C3H5R(12)+C5H7(174) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #2408; RMG #2408 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(173), C5H7(174); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4R(78)+C5H8(173)<=>C3H5R(58)+C5H7(174) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #2409; RMG #2409 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(173), C5H7(174); C4H6R(79), C4H7R(60); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H6R(79)+C5H8(173)<=>C4H7R(60)+C5H7(174) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #2410; RMG #2410 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(173), C5H7(174); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H6R(79)+C5H8(173)<=>C4H7R(81)+C5H7(174) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #2411; RMG #2411 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C7H15(85)<=>C5H7(174)+CC(C)CC(C)C(87) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2412; RMG #2412 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(24); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C5H8L(89)<=>C5H7(174)+C5H9L(24) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #2413; RMG #2413 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(57); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C5H8L(89)<=>C5H7(174)+C5H9L(57) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #2414; RMG #2414 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C5H7(174), C5H8(173); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(174)+C6H11R(56)<=>C5H8(173)+C6H10R(90) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #2415; RMG #2415 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C6H10R(90)<=>C5H7(174)+C6H11R(98) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #2416; RMG #2416 +! Template reaction: H_Abstraction +! Flux pairs: C5H7(174), C5H8(173); CCC(95), C[CH]C(94); +! From training reaction 913 used for C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CCC(95)+C5H7(174)<=>C[CH]C(94)+C5H8(173) 5.840000e-02 4.340 18.555 + +! Reaction index: Chemkin #2417; RMG #2417 +! Template reaction: H_Abstraction +! Flux pairs: C5H7(174), C5H8(173); C3H6(18), C3H5(102); +! From training reaction 3027 used for C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H6(18)+C5H7(174)<=>C3H5(102)+C5H8(173) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #2418; RMG #2418 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C6H10L(103)<=>C5H7(174)+C6H11L(63) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #2419; RMG #2419 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(107); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C6H10L(103)<=>C5H7(174)+C6H11L(107) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #2420; RMG #2420 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C7H12R(108)<=>C5H7(174)+C7H13R(62) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #2421; RMG #2421 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C7H12R(108)<=>C5H7(174)+C7H13R(120) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #2422; RMG #2422 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C5H7(174), C5H8(173); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(174)+C8H15L(61)<=>C5H8(173)+C8H14L(112) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #2423; RMG #2423 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C5H7(174), C5H8(173); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C5H7(174)+C6H10(110)<=>C5H8(173)+C6H9(113) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #2424; RMG #2424 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(114), C6H10(116); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C6H9(114)<=>C5H7(174)+C6H10(116) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #2425; RMG #2425 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C6H9(114)<=>C5H8(173)+C6H8(118) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2426; RMG #2426 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C5H7(174), C5H8(173); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H7(174)+C6H8(118)<=>C5H8(173)+C6H7(123) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #2427; RMG #2427 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C5H7(174), C5H8(173); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H7(174)+C6H8(125)<=>C5H8(173)+C6H7(123) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #2428; RMG #2428 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C6H9(114)<=>C5H8(173)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2429; RMG #2429 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C5H7(174)+C6H9(160)<=>C5H8(173)+C6H8(125) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #2430; RMG #2430 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(173), C5H7(174); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H4L(147)+C5H8(173)<=>C3H5L(59)+C5H7(174) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #2431; RMG #2431 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(173), C5H7(174); C4H7(156), C4H8(157); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7(156)+C5H8(173)<=>C4H8(157)+C5H7(174) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #2432; RMG #2432 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(160), C6H10(116); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C5H8(173)+C6H9(160)<=>C5H7(174)+C6H10(116) 5.382000e-03 4.340 14.300 + +! Reaction index: Chemkin #2433; RMG #2433 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C5H7(174), C5H8(173); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(174)+C6H11L(107)<=>C5H8(173)+C6H10L(169) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #2434; RMG #2434 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C6H10R(171)<=>C5H7(174)+C6H11R(17) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #2435; RMG #2435 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C6H10R(171)<=>C5H7(174)+C6H11R(56) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #2436; RMG #2436 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C10H20R(64)<=>C5H7(174)+RC10(2) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2437; RMG #2437 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C10H20L(76)<=>C5H7(174)+LC10(3) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2438; RMG #2438 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C8H16L(15)<=>C5H7(174)+C8H17L(49) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #2439; RMG #2439 +! Template reaction: H_Abstraction +! Flux pairs: C5H7(174), C5H8(173); [H][H](83), H(82); +! From training reaction 789 used for H2;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [H2;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +! Ea raised from 101.3 to 102.4 kJ/mol to match endothermicity of reaction. +! Ea raised from 102.4 to 102.4 kJ/mol to match endothermicity of reaction. +[H][H](83)+C5H7(174)<=>H(82)+C5H8(173) 1.212000e-01 4.340 24.463 + +! Reaction index: Chemkin #2440; RMG #2440 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H5L(91), C9H12L(175); C5H7(174), C9H12L(175); +! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C4H5L(91)+C5H7(174)<=>C9H12L(175) 4.980000e+04 2.410 8.810 + +! Reaction index: Chemkin #2441; RMG #2441 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5L(59), C8H12L(176); C5H7(174), C8H12L(176); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C3H5L(59)+C5H7(174)<=>C8H12L(176) 5.580000e+04 2.410 11.220 + +! Reaction index: Chemkin #2442; RMG #2442 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H7R(60), C9H14R(177); C5H7(174), C9H14R(177); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C4H7R(60)+C5H7(174)<=>C9H14R(177) 5.580000e+04 2.410 11.220 + +! Reaction index: Chemkin #2443; RMG #2443 +! Template reaction: Intra_R_Add_Endocyclic +! Flux pairs: C5H7(174), C5H7(178); +! Matched reaction 141 C5H7-3 <=> C5H7-4 in Intra_R_Add_Endocyclic/training +! This reaction matched rate rule [Backbone2_Sp-3R!H=1R!H_N-4R!H->S] +! family: Intra_R_Add_Endocyclic +C5H7(174)<=>C5H7(178) 1.026760e+11 0.557 37.541 + +! Reaction index: Chemkin #2444; RMG #2444 +! Library reaction: restart +! Flux pairs: C5H7(174), C10H14(179); C5H7(178), C10H14(179); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C5H7(178)<=>C10H14(179) 7.071720e+16 -1.003 0.000 + +! Reaction index: Chemkin #2445; RMG #2445 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C5H7(178), C5H8(180); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(178)+RC10L(1)<=>C5H8(180)+C9H17LR(65) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #2446; RMG #2446 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C5H7(178), C5H8(180); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(178)+RC10L(1)<=>C5H8(180)+C9H17LR(69) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #2447; RMG #2447 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C9H17LR(66)<=>C5H7(178)+RC10L(1) 3.412000e-03 4.340 3.100 + +! Reaction index: Chemkin #2448; RMG #2448 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C9H17LR(68)<=>C5H7(178)+RC10L(1) 3.412000e-03 4.340 3.100 + +! Reaction index: Chemkin #2449; RMG #2449 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C5H7(178), C5H8(180); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(178)+RC10L(1)<=>C5H8(180)+C9H17LR(72) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #2450; RMG #2450 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C9H17LR(73)<=>C5H7(178)+RC10L(1) 3.612000e-03 4.340 3.500 + +! Reaction index: Chemkin #2451; RMG #2451 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C9H17LR(71)<=>C5H7(178)+RC10L(1) 3.612000e-03 4.340 3.500 + +! Reaction index: Chemkin #2452; RMG #2452 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C9H17LR(67)<=>C5H7(178)+RC10L(1) 3.412000e-03 4.340 3.100 + +! Reaction index: Chemkin #2453; RMG #2453 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C9H17LR(70)<=>C5H7(178)+RC10L(1) 3.612000e-03 4.340 3.500 + +! Reaction index: Chemkin #2454; RMG #2454 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C10H20R(64)<=>C5H7(178)+RC10(2) 3.412000e-03 4.340 3.100 + +! Reaction index: Chemkin #2455; RMG #2455 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C10H20L(76)<=>C5H7(178)+LC10(3) 3.412000e-03 4.340 3.100 + +! Reaction index: Chemkin #2456; RMG #2456 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(180), C5H7(178); C3H4R(78), C3H5R(12); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4R(78)+C5H8(180)<=>C3H5R(12)+C5H7(178) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #2457; RMG #2457 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(180), C5H7(178); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C5H8(180)<=>CC(C)L(13)+C5H7(178) 3.612000e-03 4.340 3.500 + +! Reaction index: Chemkin #2458; RMG #2458 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C[CH]CC(C)L(7)<=>C5H7(178)+CCCC(C)L(16) 3.412000e-03 4.340 3.100 + +! Reaction index: Chemkin #2459; RMG #2459 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C6H10R(171)<=>C5H7(178)+C6H11R(17) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #2460; RMG #2460 +! Template reaction: H_Abstraction +! Flux pairs: C5H7(178), C5H8(180); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H6(18)+C5H7(178)<=>C3H5(102)+C5H8(180) 5.382000e-03 4.340 14.300 + +! Reaction index: Chemkin #2461; RMG #2461 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(180), C5H7(178); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C5H8(180)<=>CC(C)CR(20)+C5H7(178) 3.612000e-03 4.340 3.500 + +! Reaction index: Chemkin #2462; RMG #2462 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(180), C5H7(178); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +[CH2]R(14)+C5H8(180)<=>CR(22)+C5H7(178) 3.612000e-03 4.340 3.500 + +! Reaction index: Chemkin #2463; RMG #2463 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C7H14R(9)<=>C5H7(178)+CC(C)CC(C)CR(23) 3.612000e-03 4.340 3.500 + +! Reaction index: Chemkin #2464; RMG #2464 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(24); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C5H8L(89)<=>C5H7(178)+C5H9L(24) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #2465; RMG #2465 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C6H12L(11)<=>C5H7(178)+CC(C)CC(C)L(25) 3.612000e-03 4.340 3.500 + +! Reaction index: Chemkin #2466; RMG #2466 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(180), C5H7(178); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C[CH]L(8)+C5H8(180)<=>CCL(26)+C5H7(178) 3.412000e-03 4.340 3.100 + +! Reaction index: Chemkin #2467; RMG #2467 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(180), C5H7(178); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C[CH]CR(10)+C5H8(180)<=>CCCR(27)+C5H7(178) 3.412000e-03 4.340 3.100 + +! Reaction index: Chemkin #2468; RMG #2468 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C[CH]CC(C)CR(5)<=>C5H7(178)+CCCC(C)CR(32) 3.412000e-03 4.340 3.100 + +! Reaction index: Chemkin #2469; RMG #2469 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C8H16L(15)<=>C5H7(178)+C8H17L(49) 3.412000e-03 4.340 3.100 + +! Reaction index: Chemkin #2470; RMG #2470 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C5H7(178), C5H8(180); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(178)+C6H11R(56)<=>C5H8(180)+C6H10R(90) 2.300000e-03 4.340 9.300 + +! Reaction index: Chemkin #2471; RMG #2471 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C6H10R(171)<=>C5H7(178)+C6H11R(56) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #2472; RMG #2472 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); C5H7(178), C5H8(180); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(178)+C5H9L(57)<=>C5H8(180)+C5H8L(77) 2.300000e-03 4.340 9.300 + +! Reaction index: Chemkin #2473; RMG #2473 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(57); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C5H8L(89)<=>C5H7(178)+C5H9L(57) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #2474; RMG #2474 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(180), C5H7(178); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4R(78)+C5H8(180)<=>C3H5R(58)+C5H7(178) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #2475; RMG #2475 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(180), C5H7(178); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 8.0 +! family: H_Abstraction +C3H4L(147)+C5H8(180)<=>C3H5L(59)+C5H7(178) 3.616000e-02 4.340 11.200 + +! Reaction index: Chemkin #2476; RMG #2476 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(180), C5H7(178); C4H6R(79), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(79)+C5H8(180)<=>C4H7R(60)+C5H7(178) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #2477; RMG #2477 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C5H7(178), C5H8(180); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(178)+C8H15L(61)<=>C5H8(180)+C8H14L(112) 2.300000e-03 4.340 9.300 + +! Reaction index: Chemkin #2478; RMG #2478 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C7H12R(108)<=>C5H7(178)+C7H13R(62) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #2479; RMG #2479 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C6H10L(103)<=>C5H7(178)+C6H11L(63) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #2480; RMG #2480 +! Template reaction: H_Abstraction +! Flux pairs: C5H7(178), C5H8(180); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 8.0 +! family: H_Abstraction +C(75)+C5H7(178)<=>CH3(74)+C5H8(180) 8.480000e-02 4.340 24.900 + +! Reaction index: Chemkin #2481; RMG #2481 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(180), C5H7(178); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(79)+C5H8(180)<=>C4H7R(81)+C5H7(178) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #2482; RMG #2482 +! Template reaction: H_Abstraction +! Flux pairs: C5H7(178), C5H8(180); [H][H](83), H(82); +! From training reaction 790 used for H2;C_rad/H/CdCs +! Exact match found for rate rule [H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +! Ea raised from 92.9 to 93.1 kJ/mol to match endothermicity of reaction. +! Ea raised from 93.1 to 93.1 kJ/mol to match endothermicity of reaction. +[H][H](83)+C5H7(178)<=>H(82)+C5H8(180) 9.160000e-02 4.340 22.252 + +! Reaction index: Chemkin #2483; RMG #2483 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(77), C5H9L(84); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C5H8L(77)<=>C5H7(178)+C5H9L(84) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #2484; RMG #2484 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C7H15(85)<=>C5H7(178)+CC(C)CC(C)C(87) 3.612000e-03 4.340 3.500 + +! Reaction index: Chemkin #2485; RMG #2485 +! Template reaction: H_Abstraction +! Flux pairs: C5H7(178), C5H8(180); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CCC(95)+C5H7(178)<=>C[CH]C(94)+C5H8(180) 2.952000e-02 4.340 18.000 + +! Reaction index: Chemkin #2486; RMG #2486 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C6H10R(90)<=>C5H7(178)+C6H11R(98) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #2487; RMG #2487 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C5H7(178), C5H8(180); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(178)+C6H11L(107)<=>C5H8(180)+C6H10L(169) 2.300000e-03 4.340 9.300 + +! Reaction index: Chemkin #2488; RMG #2488 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(107); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C6H10L(103)<=>C5H7(178)+C6H11L(107) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #2489; RMG #2489 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C5H7(178), C5H8(180); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C5H7(178)+C6H10(110)<=>C5H8(180)+C6H9(113) 5.382000e-03 4.340 14.300 + +! Reaction index: Chemkin #2490; RMG #2490 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(160), C6H10(116); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 8.0 +! family: H_Abstraction +C5H8(180)+C6H9(160)<=>C5H7(178)+C6H10(116) 1.832000e-02 4.340 11.700 + +! Reaction index: Chemkin #2491; RMG #2491 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(114), C6H10(116); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C6H9(114)<=>C5H7(178)+C6H10(116) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #2492; RMG #2492 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C5H7(178), C5H8(180); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H7(178)+C6H8(118)<=>C5H8(180)+C6H7(123) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #2493; RMG #2493 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C7H12R(108)<=>C5H7(178)+C7H13R(120) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #2494; RMG #2494 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C5H7(178), C5H8(180); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H7(178)+C6H8(125)<=>C5H8(180)+C6H7(123) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #2495; RMG #2495 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(180), C5H7(178); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 8.0 +! family: H_Abstraction +C4H7(156)+C5H8(180)<=>C4H8(157)+C5H7(178) 3.616000e-02 4.340 11.200 + +! Reaction index: Chemkin #2496; RMG #2496 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(173), C5H8(180); C5H7(178), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C5H7(178)+C5H8(173)<=>C5H7(174)+C5H8(180) 5.382000e-03 4.340 14.300 + +! Reaction index: Chemkin #2497; RMG #2497 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H8(180); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C[CH]CR(10)+C5H7(178)<=>C3H5R(58)+C5H8(180) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2498; RMG #2498 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H8(180); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]CR(10)+C5H7(178)<=>C3H5R(12)+C5H8(180) 2.451710e+27 -4.376 7.628 + +! Reaction index: Chemkin #2499; RMG #2499 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H8(180); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]L(8)+C5H7(178)<=>C2H3L(19)+C5H8(180) 2.451710e+27 -4.376 7.628 + +! Reaction index: Chemkin #2500; RMG #2500 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H9(114)<=>C5H8(180)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2501; RMG #2501 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H9(114)<=>C5H8(180)+C6H8(118) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2502; RMG #2502 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C5H7(178)+C6H9(160)<=>C5H8(180)+C6H8(125) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #2503; RMG #2503 +! Library reaction: restart +! Flux pairs: H(82), C5H8(180); C5H7(178), C5H8(180); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C5H7(178)<=>C5H8(180) 3.152860e+13 -0.222 0.000 + +! Reaction index: Chemkin #2504; RMG #2504 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C[CH]CC(C)CR(5)<=>C5H8(180)+C6H11R(17) 2.451710e+27 -4.376 7.433 + +! Reaction index: Chemkin #2505; RMG #2505 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H8(180); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C[CH]C(94)+C5H7(178)<=>C3H6(18)+C5H8(180) 4.903420e+27 -4.376 7.519 + +! Reaction index: Chemkin #2506; RMG #2506 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C8H16L(15)<=>C5H8(180)+C8H15L(21) 2.451710e+27 -4.376 7.433 + +! Reaction index: Chemkin #2507; RMG #2507 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C[CH]CC(C)L(7)<=>C5H8(180)+C5H9L(24) 2.451710e+27 -4.376 7.433 + +! Reaction index: Chemkin #2508; RMG #2508 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C[CH]CC(C)CR(5)<=>C5H8(180)+C6H11R(56) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2509; RMG #2509 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C[CH]CC(C)L(7)<=>C5H8(180)+C5H9L(57) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2510; RMG #2510 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H8(180); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C5H7(178)<=>C3H5L(59)+C5H8(180) 1.051630e+14 -0.550 0.110 + +! Reaction index: Chemkin #2511; RMG #2511 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H8(180); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C5H7(178)<=>C4H7R(60)+C5H8(180) 1.051630e+14 -0.550 0.110 + +! Reaction index: Chemkin #2512; RMG #2512 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C8H16L(15)<=>C5H8(180)+C8H15L(61) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2513; RMG #2513 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(178)+C7H14R(9)<=>C5H8(180)+C7H13R(62) 1.051630e+14 -0.550 0.000 + +! Reaction index: Chemkin #2514; RMG #2514 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(178)+C6H12L(11)<=>C5H8(180)+C6H11L(63) 1.051630e+14 -0.550 0.000 + +! Reaction index: Chemkin #2515; RMG #2515 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7(174), C11H17(181); C6H10(110), C11H17(181); +! From training reaction 295 used for Cds-HH_Cds-CdCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C5H7(174)+C6H10(110)<=>C11H17(181) 5.640000e+04 2.410 8.390 + +! Reaction index: Chemkin #2516; RMG #2516 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7L(104), C10H14L(182); C5H7(174), C10H14L(182); +! From training reaction 295 used for Cds-HH_Cds-CdCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C5H7L(104)+C5H7(174)<=>C10H14L(182) 5.640000e+04 2.410 8.390 + +! Reaction index: Chemkin #2517; RMG #2517 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7(174), C10H15(183); C5H8(173), C10H15(183); +! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C5H7(174)+C5H8(173)<=>C10H15(183) 4.980000e+04 2.410 8.810 + +! Reaction index: Chemkin #2518; RMG #2518 +! Library reaction: restart +! Flux pairs: C5H7(174), C10H14(184); C5H7(174), C10H14(184); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(174)+C5H7(174)<=>C10H14(184) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #2519; RMG #2519 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C10H15(183); C10H14(184), C10H15(183); +! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +H(82)+C10H14(184)<=>C10H15(183) 4.620000e+08 1.640 -0.470 + +! Reaction index: Chemkin #2520; RMG #2520 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(65)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 6.429 + +! Reaction index: Chemkin #2521; RMG #2521 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(69)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 6.429 + +! Reaction index: Chemkin #2522; RMG #2522 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(66)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #2523; RMG #2523 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(68)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #2524; RMG #2524 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(72)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 6.429 + +! Reaction index: Chemkin #2525; RMG #2525 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(73)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #2526; RMG #2526 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(71)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #2527; RMG #2527 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(67)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #2528; RMG #2528 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(70)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #2529; RMG #2529 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C10H15(183), C10H14(184); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H15(183)+C10H20R(64)<=>C10H14(184)+RC10(2) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #2530; RMG #2530 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C10H15(183), C10H14(184); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H15(183)+C10H20L(76)<=>C10H14(184)+LC10(3) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #2531; RMG #2531 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C10H15(183)<=>C3H5R(12)+C10H14(184) 1.225850e+27 -4.376 9.219 + +! Reaction index: Chemkin #2532; RMG #2532 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C10H15(183)<=>CC(C)L(13)+C10H14(184) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #2533; RMG #2533 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C10H15(183)<=>CCCC(C)L(16)+C10H14(184) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #2534; RMG #2534 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C10H15(183)<=>C6H11R(17)+C10H14(184) 1.225850e+27 -4.376 9.371 + +! Reaction index: Chemkin #2535; RMG #2535 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C10H15(183)<=>C3H6(18)+C10H14(184) 2.451710e+27 -4.376 8.460 + +! Reaction index: Chemkin #2536; RMG #2536 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C10H15(183)<=>CC(C)CR(20)+C10H14(184) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #2537; RMG #2537 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C10H15(183)<=>CR(22)+C10H14(184) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #2538; RMG #2538 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H14R(9)+C10H15(183)<=>CC(C)CC(C)CR(23)+C10H14(184) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #2539; RMG #2539 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C10H15(183)<=>C5H9L(24)+C10H14(184) 1.225850e+27 -4.376 9.371 + +! Reaction index: Chemkin #2540; RMG #2540 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H12L(11)+C10H15(183)<=>CC(C)CC(C)L(25)+C10H14(184) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #2541; RMG #2541 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C10H15(183)<=>CCL(26)+C10H14(184) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #2542; RMG #2542 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C10H15(183)<=>CCCR(27)+C10H14(184) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #2543; RMG #2543 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C10H15(183)<=>CCCC(C)CR(32)+C10H14(184) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #2544; RMG #2544 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C10H15(183)<=>C6H11R(56)+C10H14(184) 1.225850e+27 -4.376 9.741 + +! Reaction index: Chemkin #2545; RMG #2545 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C10H15(183)<=>C6H11R(56)+C10H14(184) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #2546; RMG #2546 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C10H15(183)<=>C5H9L(57)+C10H14(184) 1.225850e+27 -4.376 9.741 + +! Reaction index: Chemkin #2547; RMG #2547 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C10H15(183)<=>C5H9L(57)+C10H14(184) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #2548; RMG #2548 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C10H15(183)<=>C3H5R(58)+C10H14(184) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #2549; RMG #2549 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C10H15(183)<=>C3H5L(59)+C10H14(184) 2.451710e+27 -4.376 8.429 + +! Reaction index: Chemkin #2550; RMG #2550 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C10H15(183)<=>C4H7R(60)+C10H14(184) 1.225850e+27 -4.376 9.219 + +! Reaction index: Chemkin #2551; RMG #2551 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H14L(112)+C10H15(183)<=>C8H15L(61)+C10H14(184) 1.225850e+27 -4.376 9.741 + +! Reaction index: Chemkin #2552; RMG #2552 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C10H15(183)<=>C7H13R(62)+C10H14(184) 1.225850e+27 -4.376 9.371 + +! Reaction index: Chemkin #2553; RMG #2553 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C10H15(183)<=>C6H11L(63)+C10H14(184) 1.225850e+27 -4.376 9.371 + +! Reaction index: Chemkin #2554; RMG #2554 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C10H15(183)<=>C(75)+C10H14(184) 1.225850e+27 -4.376 4.703 + +! Reaction index: Chemkin #2555; RMG #2555 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C10H15(183)<=>C4H7R(81)+C10H14(184) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #2556; RMG #2556 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C10H15(183)<=>[H][H](83)+C10H14(184) 1.225850e+27 -4.376 4.864 + +! Reaction index: Chemkin #2557; RMG #2557 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C10H15(183)<=>C5H9L(84)+C10H14(184) 1.225850e+27 -4.376 9.358 + +! Reaction index: Chemkin #2558; RMG #2558 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H15(85)+C10H15(183)<=>CC(C)CC(C)C(87)+C10H14(184) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #2559; RMG #2559 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C10H15(183)<=>CCC(95)+C10H14(184) 1.225850e+27 -4.376 5.985 + +! Reaction index: Chemkin #2560; RMG #2560 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C10H15(183)<=>C6H11R(98)+C10H14(184) 1.225850e+27 -4.376 9.358 + +! Reaction index: Chemkin #2561; RMG #2561 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C10H15(183)<=>C6H11L(107)+C10H14(184) 1.225850e+27 -4.376 9.741 + +! Reaction index: Chemkin #2562; RMG #2562 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C10H15(183)<=>C6H11L(107)+C10H14(184) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #2563; RMG #2563 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C10H15(183)<=>C6H10(110)+C10H14(184) 1.225850e+27 -4.376 10.849 + +! Reaction index: Chemkin #2564; RMG #2564 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C10H15(183)<=>C6H10(116)+C10H14(184) 2.451710e+27 -4.376 10.059 + +! Reaction index: Chemkin #2565; RMG #2565 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C10H15(183)<=>C6H10(116)+C10H14(184) 1.225850e+27 -4.376 10.059 + +! Reaction index: Chemkin #2566; RMG #2566 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C10H15(183)<=>C6H8(118)+C10H14(184) 2.451710e+27 -4.376 9.335 + +! Reaction index: Chemkin #2567; RMG #2567 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C10H15(183)<=>C7H13R(120)+C10H14(184) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #2568; RMG #2568 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C10H15(183)<=>C6H8(125)+C10H14(184) 2.451710e+27 -4.376 9.433 + +! Reaction index: Chemkin #2569; RMG #2569 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C10H15(183)<=>C4H8(157)+C10H14(184) 2.451710e+27 -4.376 8.079 + +! Reaction index: Chemkin #2570; RMG #2570 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C10H15(183)<=>C5H8(173)+C10H14(184) 2.451710e+27 -4.376 10.743 + +! Reaction index: Chemkin #2571; RMG #2571 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C10H15(183)<=>C5H8(180)+C10H14(184) 2.451710e+27 -4.376 10.059 + +! Reaction index: Chemkin #2572; RMG #2572 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C10H15(183)<=>C8H17L(49)+C10H14(184) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #2573; RMG #2573 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H5L(91), C9H12L(185); C5H7(174), C9H12L(185); +! From training reaction 475 used for Cds-CsH_Cds-CdH;CsJ-CdHH +! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C4H5L(91)+C5H7(174)<=>C9H12L(185) 2.380000e+04 2.410 10.290 + +! Reaction index: Chemkin #2574; RMG #2574 +! Library reaction: restart +! Flux pairs: C5H7(178), C10H14(186); C5H7(178), C10H14(186); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +! Multiplied by reaction path degeneracy 2.0 +C5H7(178)+C5H7(178)<=>C10H14(186) 1.000000e+14 -0.000 0.000 + +! Reaction index: Chemkin #2575; RMG #2575 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C5H7(178); C5H6(187), C5H7(178); +! From training reaction 11 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ +! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +H(82)+C5H6(187)<=>C5H7(178) 3.300000e+09 1.480 0.900 + +! Reaction index: Chemkin #2576; RMG #2576 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C[CH]CR(10)+C5H7(178)<=>CCCR(27)+C5H6(187) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2577; RMG #2577 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C[CH]L(8)+C5H7(178)<=>CCL(26)+C5H6(187) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2578; RMG #2578 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(57); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C5H8L(77)<=>C5H6(187)+C5H9L(57) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2579; RMG #2579 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(84); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C5H8L(77)<=>C5H6(187)+C5H9L(84) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2580; RMG #2580 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4R(78)+C5H7(178)<=>C3H5R(12)+C5H6(187) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2581; RMG #2581 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4R(78)+C5H7(178)<=>C3H5R(58)+C5H6(187) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2582; RMG #2582 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(79)+C5H7(178)<=>C4H7R(60)+C5H6(187) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2583; RMG #2583 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(79)+C5H7(178)<=>C4H7R(81)+C5H6(187) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2584; RMG #2584 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H10R(90)<=>C5H6(187)+C6H11R(56) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2585; RMG #2585 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H10R(90)<=>C5H6(187)+C6H11R(98) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2586; RMG #2586 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C3H5(102)+C5H7(178)<=>C3H6(18)+C5H6(187) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #2587; RMG #2587 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H9(113)<=>C5H6(187)+C6H10(110) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2588; RMG #2588 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H9(114)<=>C5H6(187)+C6H10(116) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2589; RMG #2589 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(118); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C5H7(178)+C6H7(123)<=>C5H6(187)+C6H8(118) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #2590; RMG #2590 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(125); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C5H7(178)+C6H7(123)<=>C5H6(187)+C6H8(125) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #2591; RMG #2591 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C3H4L(147)+C5H7(178)<=>C3H5L(59)+C5H6(187) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #2592; RMG #2592 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C4H7(156)+C5H7(178)<=>C4H8(157)+C5H6(187) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #2593; RMG #2593 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H10(116); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C5H7(178)+C6H9(160)<=>C5H6(187)+C6H10(116) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #2594; RMG #2594 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H8(173); C5H7(174), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C5H7(174)+C5H7(178)<=>C5H6(187)+C5H8(173) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #2595; RMG #2595 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H8(180); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C5H7(178)+C5H7(178)<=>C5H6(187)+C5H8(180) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #2596; RMG #2596 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(24); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C5H8L(89)<=>C5H6(187)+C5H9L(24) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2597; RMG #2597 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(57); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C5H8L(89)<=>C5H6(187)+C5H9L(57) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2598; RMG #2598 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H10L(103)<=>C5H6(187)+C6H11L(63) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2599; RMG #2599 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H10L(103)<=>C5H6(187)+C6H11L(107) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2600; RMG #2600 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C7H12R(108)<=>C5H6(187)+C7H13R(62) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2601; RMG #2601 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C7H12R(108)<=>C5H6(187)+C7H13R(120) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2602; RMG #2602 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H10L(169)<=>C5H6(187)+C6H11L(107) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2603; RMG #2603 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C9H17LR(65)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2604; RMG #2604 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C9H17LR(69)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2605; RMG #2605 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C9H17LR(66)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2606; RMG #2606 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C9H17LR(68)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2607; RMG #2607 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C9H17LR(72)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2608; RMG #2608 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C9H17LR(73)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2609; RMG #2609 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C9H17LR(71)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2610; RMG #2610 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C9H17LR(67)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2611; RMG #2611 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C9H17LR(70)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2612; RMG #2612 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C10H20R(64)<=>C5H6(187)+RC10(2) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2613; RMG #2613 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C10H20L(76)<=>C5H6(187)+LC10(3) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2614; RMG #2614 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +[CH2]C(C)L(4)+C5H7(178)<=>CC(C)L(13)+C5H6(187) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2615; RMG #2615 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C[CH]CC(C)L(7)<=>C5H6(187)+CCCC(C)L(16) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2616; RMG #2616 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H10R(171)<=>C5H6(187)+C6H11R(17) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2617; RMG #2617 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +[CH2]C(C)CR(6)+C5H7(178)<=>CC(C)CR(20)+C5H6(187) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2618; RMG #2618 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +[CH2]R(14)+C5H7(178)<=>CR(22)+C5H6(187) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2619; RMG #2619 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C7H14R(9)<=>C5H6(187)+CC(C)CC(C)CR(23) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2620; RMG #2620 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H12L(11)<=>C5H6(187)+CC(C)CC(C)L(25) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2621; RMG #2621 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C[CH]CC(C)CR(5)<=>C5H6(187)+CCCC(C)CR(32) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2622; RMG #2622 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C8H16L(15)<=>C5H6(187)+C8H17L(49) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2623; RMG #2623 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H10R(171)<=>C5H6(187)+C6H11R(56) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2624; RMG #2624 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C8H14L(112)<=>C5H6(187)+C8H15L(61) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2625; RMG #2625 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C5H7(178)<=>C(75)+C5H6(187) 1.150000e+13 -0.320 0.000 +DUPLICATE + +! Reaction index: Chemkin #2626; RMG #2626 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 4.0 +CH3(74)+C5H7(178)<=>C(75)+C5H6(187) 1.824940e+13 -0.160 0.000 +DUPLICATE + +! Reaction index: Chemkin #2627; RMG #2627 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 4.0 +H(82)+C5H7(178)<=>[H][H](83)+C5H6(187) 2.383380e+10 0.568 0.000 + +! Reaction index: Chemkin #2628; RMG #2628 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C7H15(85)<=>C5H6(187)+CC(C)CC(C)C(87) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2629; RMG #2629 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C[CH]C(94)+C5H7(178)<=>CCC(95)+C5H6(187) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2630; RMG #2630 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7(174), C11H18L(188); C6H11L(63), C11H18L(188); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C5H7(174)+C6H11L(63)<=>C11H18L(188) 5.580000e+04 2.410 11.220 + +! Reaction index: Chemkin #2631; RMG #2631 +! Template reaction: R_Recombination +! Flux pairs: H(82), C5H6(187); C5H5(189), C5H6(187); +! Matched reaction 134 C5H5 + H <=> C5H6 in R_Recombination/training +! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H] +! family: R_Recombination +H(82)+C5H5(189)<=>C5H6(187) 2.500000e+15 0.000 0.000 + +! Reaction index: Chemkin #2632; RMG #2632 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C5H6(187)<=>CC(C)CR(20)+C5H5(189) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #2633; RMG #2633 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C5H6(187)<=>CCCR(27)+C5H5(189) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #2634; RMG #2634 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C5H6(187)<=>CC(C)L(13)+C5H5(189) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #2635; RMG #2635 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C5H6(187)<=>CCL(26)+C5H5(189) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #2636; RMG #2636 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H6(187), C5H5(189); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C6H12L(11)<=>C5H5(189)+CC(C)CC(C)L(25) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #2637; RMG #2637 +! Library reaction: restart +! Flux pairs: C5H5(189), C5H6(187); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C[CH]CR(10)+C5H5(189)<=>C3H5R(12)+C5H6(187) 6.129270e+27 -4.376 7.003 + +! Reaction index: Chemkin #2638; RMG #2638 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C5H6(187)<=>CR(22)+C5H5(189) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #2639; RMG #2639 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C[CH]CC(C)CR(5)<=>C5H6(187)+C6H11R(17) 6.129270e+27 -4.376 6.818 + +! Reaction index: Chemkin #2640; RMG #2640 +! Library reaction: restart +! Flux pairs: C5H5(189), C5H6(187); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 30.0 +C[CH]C(94)+C5H5(189)<=>C3H6(18)+C5H6(187) 1.225850e+28 -4.376 6.900 + +! Reaction index: Chemkin #2641; RMG #2641 +! Library reaction: restart +! Flux pairs: C5H5(189), C5H6(187); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C[CH]L(8)+C5H5(189)<=>C2H3L(19)+C5H6(187) 6.129270e+27 -4.376 7.003 + +! Reaction index: Chemkin #2642; RMG #2642 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C8H16L(15)<=>C5H6(187)+C8H15L(21) 6.129270e+27 -4.376 6.818 + +! Reaction index: Chemkin #2643; RMG #2643 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C[CH]CC(C)L(7)<=>C5H6(187)+C5H9L(24) 6.129270e+27 -4.376 6.818 + +! Reaction index: Chemkin #2644; RMG #2644 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C5H5(189)+C[CH]CC(C)CR(5)<=>C5H6(187)+C6H11R(56) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #2645; RMG #2645 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C5H5(189)+C[CH]CC(C)L(7)<=>C5H6(187)+C5H9L(57) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #2646; RMG #2646 +! Library reaction: restart +! Flux pairs: C5H5(189), C5H6(187); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C[CH]CR(10)+C5H5(189)<=>C3H5R(58)+C5H6(187) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #2647; RMG #2647 +! Library reaction: restart +! Flux pairs: C5H5(189), C5H6(187); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 5.0 +[CH2]C(C)L(4)+C5H5(189)<=>C3H5L(59)+C5H6(187) 2.629070e+14 -0.550 0.000 + +! Reaction index: Chemkin #2648; RMG #2648 +! Library reaction: restart +! Flux pairs: C5H5(189), C5H6(187); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 5.0 +[CH2]C(C)CR(6)+C5H5(189)<=>C4H7R(60)+C5H6(187) 2.629070e+14 -0.550 0.000 + +! Reaction index: Chemkin #2649; RMG #2649 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C5H5(189)+C8H16L(15)<=>C5H6(187)+C8H15L(61) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #2650; RMG #2650 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 5.0 +C5H5(189)+C7H14R(9)<=>C5H6(187)+C7H13R(62) 2.629070e+14 -0.550 0.000 + +! Reaction index: Chemkin #2651; RMG #2651 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 5.0 +C5H5(189)+C6H12L(11)<=>C5H6(187)+C6H11L(63) 2.629070e+14 -0.550 0.000 + +! Reaction index: Chemkin #2652; RMG #2652 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C5H6(187), C5H5(189); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C9H17LR(67)<=>C5H5(189)+RC10L(1) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #2653; RMG #2653 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); CH3(74), C(75); +! From training reaction 1126 used for C/H2/CdCd;C_methyl +! Exact match found for rate rule [C/H2/CdCd;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(74)+C5H6(187)<=>C(75)+C5H5(189) 2.120000e-02 4.340 1.700 + +! Reaction index: Chemkin #2654; RMG #2654 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); C5H5(189), C5H6(187); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 5.0 +! family: H_Abstraction +C5H5(189)+C5H9L(57)<=>C5H6(187)+C5H8L(77) 7.300000e-03 4.340 12.900 + +! Reaction index: Chemkin #2655; RMG #2655 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(77), C5H9L(84); C5H6(187), C5H5(189); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C5H8L(77)<=>C5H5(189)+C5H9L(84) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #2656; RMG #2656 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); C3H4R(78), C3H5R(12); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C5H6(187)<=>C3H5R(12)+C5H5(189) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #2657; RMG #2657 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); C3H4R(78), C3H5R(58); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C5H6(187)<=>C3H5R(58)+C5H5(189) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #2658; RMG #2658 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); C4H6R(79), C4H7R(60); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C5H6(187)<=>C4H7R(60)+C5H5(189) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #2659; RMG #2659 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C5H6(187)<=>C4H7R(81)+C5H5(189) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #2660; RMG #2660 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(24); C5H6(187), C5H5(189); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C5H8L(89)<=>C5H5(189)+C5H9L(24) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #2661; RMG #2661 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(57); C5H6(187), C5H5(189); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C5H8L(89)<=>C5H5(189)+C5H9L(57) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #2662; RMG #2662 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C5H5(189), C5H6(187); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 5.0 +! family: H_Abstraction +C5H5(189)+C6H11R(56)<=>C5H6(187)+C6H10R(90) 7.300000e-03 4.340 12.900 + +! Reaction index: Chemkin #2663; RMG #2663 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C5H6(187), C5H5(189); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C6H10R(90)<=>C5H5(189)+C6H11R(98) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #2664; RMG #2664 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); C[CH]C(94), CCC(95); +! From training reaction 1128 used for C/H2/CdCd;C_rad/H/Cs\H3/Cs\H3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]C(94)+C5H6(187)<=>CCC(95)+C5H5(189) 2.320000e-03 4.340 -0.400 + +! Reaction index: Chemkin #2665; RMG #2665 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); C3H5(102), C3H6(18); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H5(102)+C5H6(187)<=>C3H6(18)+C5H5(189) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #2666; RMG #2666 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); C5H6(187), C5H5(189); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C6H10L(103)<=>C5H5(189)+C6H11L(63) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #2667; RMG #2667 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(107); C5H6(187), C5H5(189); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C6H10L(103)<=>C5H5(189)+C6H11L(107) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #2668; RMG #2668 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C5H6(187), C5H5(189); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C7H12R(108)<=>C5H5(189)+C7H13R(62) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #2669; RMG #2669 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C5H6(187), C5H5(189); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C7H12R(108)<=>C5H5(189)+C7H13R(120) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #2670; RMG #2670 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(113), C6H10(110); C5H6(187), C5H5(189); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C6H9(113)<=>C5H5(189)+C6H10(110) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #2671; RMG #2671 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(114), C6H10(116); C5H6(187), C5H5(189); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C6H9(114)<=>C5H5(189)+C6H10(116) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #2672; RMG #2672 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C5H5(189)+C6H9(114)<=>C5H6(187)+C6H8(118) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #2673; RMG #2673 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C5H5(189)+C6H9(114)<=>C5H6(187)+C6H8(125) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #2674; RMG #2674 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 20.0 +C5H5(189)+C6H9(160)<=>C5H6(187)+C6H8(125) 1.547940e+13 0.025 0.000 + +! Reaction index: Chemkin #2675; RMG #2675 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C5H6(187)<=>C3H5L(59)+C5H5(189) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #2676; RMG #2676 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCd;C_rad/H2/Cd] for rate rule [C/H2/CdCd;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C5H6(187)<=>C4H8(157)+C5H5(189) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #2677; RMG #2677 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(160), C6H10(116); C5H6(187), C5H5(189); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H6(187)+C6H9(160)<=>C5H5(189)+C6H10(116) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #2678; RMG #2678 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C5H5(189), C5H6(187); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 5.0 +! family: H_Abstraction +C5H5(189)+C6H11L(107)<=>C5H6(187)+C6H10L(169) 7.300000e-03 4.340 12.900 + +! Reaction index: Chemkin #2679; RMG #2679 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); C5H6(187), C5H5(189); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C6H10R(171)<=>C5H5(189)+C6H11R(17) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #2680; RMG #2680 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C5H6(187), C5H5(189); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C6H10R(171)<=>C5H5(189)+C6H11R(56) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #2681; RMG #2681 +! Template reaction: H_Abstraction +! Flux pairs: C5H7(174), C5H8(173); C5H6(187), C5H5(189); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H6(187)+C5H7(174)<=>C5H5(189)+C5H8(173) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #2682; RMG #2682 +! Template reaction: H_Abstraction +! Flux pairs: C5H7(178), C5H8(180); C5H6(187), C5H5(189); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H6(187)+C5H7(178)<=>C5H5(189)+C5H8(180) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #2683; RMG #2683 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C10H15(183)<=>C5H6(187)+C10H14(184) 6.129270e+27 -4.376 9.315 + +! Reaction index: Chemkin #2684; RMG #2684 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 20.0 +C5H5(189)+C5H7(178)<=>C5H6(187)+C5H6(187) 1.547940e+13 0.025 0.000 + +! Reaction index: Chemkin #2685; RMG #2685 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H6(187), C5H5(189); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C[CH]CC(C)CR(5)<=>C5H5(189)+CCCC(C)CR(32) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #2686; RMG #2686 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H6(187), C5H5(189); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C7H14R(9)<=>C5H5(189)+CC(C)CC(C)CR(23) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #2687; RMG #2687 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H6(187), C5H5(189); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C[CH]CC(C)L(7)<=>C5H5(189)+CCCC(C)L(16) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #2688; RMG #2688 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C5H6(187), C5H5(189); +! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C9H17LR(65)<=>C5H5(189)+RC10L(1) 1.916000e-03 4.340 -2.500 + +! Reaction index: Chemkin #2689; RMG #2689 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C5H6(187), C5H5(189); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C9H17LR(66)<=>C5H5(189)+RC10L(1) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #2690; RMG #2690 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C5H6(187), C5H5(189); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C9H17LR(68)<=>C5H5(189)+RC10L(1) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #2691; RMG #2691 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C5H6(187), C5H5(189); +! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C9H17LR(69)<=>C5H5(189)+RC10L(1) 1.916000e-03 4.340 -2.500 + +! Reaction index: Chemkin #2692; RMG #2692 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C5H6(187), C5H5(189); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C9H17LR(70)<=>C5H5(189)+RC10L(1) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #2693; RMG #2693 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C5H6(187), C5H5(189); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C9H17LR(71)<=>C5H5(189)+RC10L(1) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #2694; RMG #2694 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C5H6(187), C5H5(189); +! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C9H17LR(72)<=>C5H5(189)+RC10L(1) 1.916000e-03 4.340 -2.500 + +! Reaction index: Chemkin #2695; RMG #2695 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C5H6(187), C5H5(189); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C9H17LR(73)<=>C5H5(189)+RC10L(1) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #2696; RMG #2696 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H6(187), C5H5(189); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C7H15(85)<=>C5H5(189)+CC(C)CC(C)C(87) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #2697; RMG #2697 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C5H5(189), C5H6(187); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 5.0 +! family: H_Abstraction +C5H5(189)+C8H15L(61)<=>C5H6(187)+C8H14L(112) 7.300000e-03 4.340 12.900 + +! Reaction index: Chemkin #2698; RMG #2698 +! Template reaction: H_Abstraction +! Flux pairs: C6H7(123), C6H8(118); C5H6(187), C5H5(189); +! From training reaction 3030 used for C/H2/CdCd;C_rad/H/CdCd +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H6(187)+C6H7(123)<=>C5H5(189)+C6H8(118) 1.564000e-03 4.340 8.900 + +! Reaction index: Chemkin #2699; RMG #2699 +! Template reaction: H_Abstraction +! Flux pairs: C6H7(123), C6H8(125); C5H6(187), C5H5(189); +! From training reaction 3030 used for C/H2/CdCd;C_rad/H/CdCd +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H6(187)+C6H7(123)<=>C5H5(189)+C6H8(125) 1.564000e-03 4.340 8.900 + +! Reaction index: Chemkin #2700; RMG #2700 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C5H6(187), C5H5(189); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C10H20R(64)<=>C5H5(189)+RC10(2) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #2701; RMG #2701 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C5H6(187), C5H5(189); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C10H20L(76)<=>C5H5(189)+LC10(3) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #2702; RMG #2702 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C5H6(187), C5H5(189); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C8H16L(15)<=>C5H5(189)+C8H17L(49) 8.355200e-04 4.260 5.620 + +! Reaction index: Chemkin #2703; RMG #2703 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); H(82), [H][H](83); +! From training reaction 1125 used for C/H2/CdCd;H_rad +! Exact match found for rate rule [C/H2/CdCd;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(82)+C5H6(187)<=>[H][H](83)+C5H5(189) 8.940000e-01 4.340 -0.400 + +! Reaction index: Chemkin #2704; RMG #2704 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H7(156), C9H14L(190); C5H7L(104), C9H14L(190); +! Estimated using template [Cds-HH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C4H7(156)+C5H7L(104)<=>C9H14L(190) 5.640000e+04 2.410 8.390 + +! Reaction index: Chemkin #2705; RMG #2705 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H6(18), C8H13(191); C5H7(174), C8H13(191); +! From training reaction 4 used for Cds-HH_Cds-Cs\H3/H;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C3H6(18)+C5H7(174)<=>C8H13(191) 1.560000e+03 2.530 11.000 + +! Reaction index: Chemkin #2706; RMG #2706 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7(174), C12H20R(192); C7H13R(62), C12H20R(192); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C5H7(174)+C7H13R(62)<=>C12H20R(192) 5.580000e+04 2.410 11.220 + +! Reaction index: Chemkin #2707; RMG #2707 +! Library reaction: restart +! Flux pairs: CH3(74), C8H15L(61); C7H12L(193), C8H15L(61); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +CH3(74)+C7H12L(193)<=>C8H15L(61) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #2708; RMG #2708 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C[CH]L(8), C7H12L(193); C5H8(173), C7H12L(193); +! From training reaction 275 used for Cds-HH_Cds-CdH;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]L(8)+C5H8(173)<=>C7H12L(193) 1.920000e+03 2.410 0.760 + +! Reaction index: Chemkin #2709; RMG #2709 +! Library reaction: restart +! Flux pairs: C3H5(102), C8H12(194); C5H7(174), C8H12(194); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C5H7(174)<=>C8H12(194) 1.392520e+14 -0.158 0.000 + +! Reaction index: Chemkin #2710; RMG #2710 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C8H13(191); C8H12(194), C8H13(191); +! From training reaction 9 used for Cds-HH_Cds-CsH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C8H12(194)<=>C8H13(191) 3.360000e+08 1.560 0.600 + +! Reaction index: Chemkin #2711; RMG #2711 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C9H17LR(65)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 4.616 + +! Reaction index: Chemkin #2712; RMG #2712 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C9H17LR(69)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 4.616 + +! Reaction index: Chemkin #2713; RMG #2713 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C9H17LR(66)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #2714; RMG #2714 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C9H17LR(68)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #2715; RMG #2715 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C9H17LR(72)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 4.616 + +! Reaction index: Chemkin #2716; RMG #2716 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C9H17LR(73)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #2717; RMG #2717 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C9H17LR(71)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #2718; RMG #2718 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C9H17LR(67)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #2719; RMG #2719 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C9H17LR(70)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #2720; RMG #2720 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C10H20R(64)<=>C8H12(194)+RC10(2) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #2721; RMG #2721 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C10H20L(76)<=>C8H12(194)+LC10(3) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #2722; RMG #2722 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C8H13(191)<=>CC(C)L(13)+C8H12(194) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #2723; RMG #2723 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C8H13(191)<=>C3H6(18)+C8H12(194) 2.451710e+27 -4.376 6.289 + +! Reaction index: Chemkin #2724; RMG #2724 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C8H13(191)<=>CC(C)CR(20)+C8H12(194) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #2725; RMG #2725 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H12L(11)+C8H13(191)<=>CC(C)CC(C)L(25)+C8H12(194) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #2726; RMG #2726 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C8H13(191)<=>CCL(26)+C8H12(194) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #2727; RMG #2727 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C8H13(191)<=>CCCR(27)+C8H12(194) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #2728; RMG #2728 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C8H13(191)<=>C6H11R(56)+C8H12(194) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #2729; RMG #2729 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C8H13(191)<=>C6H11R(56)+C8H12(194) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #2730; RMG #2730 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C8H13(191)<=>C5H9L(57)+C8H12(194) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #2731; RMG #2731 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C8H13(191)<=>C5H9L(57)+C8H12(194) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #2732; RMG #2732 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C8H13(191)<=>C3H5R(58)+C8H12(194) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #2733; RMG #2733 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C8H13(191)<=>C3H5L(59)+C8H12(194) 2.451710e+27 -4.376 6.263 + +! Reaction index: Chemkin #2734; RMG #2734 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C8H13(191)<=>C4H7R(60)+C8H12(194) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #2735; RMG #2735 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C8H13(191)<=>C3H5R(12)+C8H12(194) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #2736; RMG #2736 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C8H13(191)<=>CCCC(C)L(16)+C8H12(194) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #2737; RMG #2737 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C8H13(191)<=>C6H11R(17)+C8H12(194) 1.225850e+27 -4.376 7.050 + +! Reaction index: Chemkin #2738; RMG #2738 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C8H13(191)<=>CR(22)+C8H12(194) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #2739; RMG #2739 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H14R(9)+C8H13(191)<=>CC(C)CC(C)CR(23)+C8H12(194) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #2740; RMG #2740 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C8H13(191)<=>C5H9L(24)+C8H12(194) 1.225850e+27 -4.376 7.050 + +! Reaction index: Chemkin #2741; RMG #2741 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C8H13(191)<=>CCCC(C)CR(32)+C8H12(194) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #2742; RMG #2742 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C8H16L(15)<=>C8H12(194)+C8H17L(49) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #2743; RMG #2743 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C8H14L(112)<=>C8H12(194)+C8H15L(61) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #2744; RMG #2744 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C8H13(191)<=>C7H13R(62)+C8H12(194) 1.225850e+27 -4.376 7.050 + +! Reaction index: Chemkin #2745; RMG #2745 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C8H13(191)<=>C6H11L(63)+C8H12(194) 1.225850e+27 -4.376 7.050 + +! Reaction index: Chemkin #2746; RMG #2746 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C8H13(191)<=>C(75)+C8H12(194) 1.225850e+27 -4.376 3.228 + +! Reaction index: Chemkin #2747; RMG #2747 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C8H13(191)<=>C4H7R(81)+C8H12(194) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #2748; RMG #2748 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C8H13(191)<=>[H][H](83)+C8H12(194) 1.225850e+27 -4.376 3.356 + +! Reaction index: Chemkin #2749; RMG #2749 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C8H13(191)<=>C5H9L(84)+C8H12(194) 1.225850e+27 -4.376 7.038 + +! Reaction index: Chemkin #2750; RMG #2750 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H15(85)+C8H13(191)<=>CC(C)CC(C)C(87)+C8H12(194) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #2751; RMG #2751 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C8H13(191)<=>CCC(95)+C8H12(194) 1.225850e+27 -4.376 4.256 + +! Reaction index: Chemkin #2752; RMG #2752 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C8H13(191)<=>C6H11R(98)+C8H12(194) 1.225850e+27 -4.376 7.038 + +! Reaction index: Chemkin #2753; RMG #2753 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C8H13(191)<=>C6H11L(107)+C8H12(194) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #2754; RMG #2754 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C8H13(191)<=>C6H11L(107)+C8H12(194) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #2755; RMG #2755 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C8H13(191)<=>C6H10(110)+C8H12(194) 1.225850e+27 -4.376 8.296 + +! Reaction index: Chemkin #2756; RMG #2756 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C8H13(191)<=>C6H10(116)+C8H12(194) 2.451710e+27 -4.376 7.628 + +! Reaction index: Chemkin #2757; RMG #2757 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C8H13(191)<=>C6H10(116)+C8H12(194) 1.225850e+27 -4.376 7.628 + +! Reaction index: Chemkin #2758; RMG #2758 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C8H13(191)<=>C6H8(118)+C8H12(194) 2.451710e+27 -4.376 7.020 + +! Reaction index: Chemkin #2759; RMG #2759 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C8H13(191)<=>C7H13R(120)+C8H12(194) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #2760; RMG #2760 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C8H13(191)<=>C6H8(125)+C8H12(194) 2.451710e+27 -4.376 7.102 + +! Reaction index: Chemkin #2761; RMG #2761 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C8H13(191)<=>C4H8(157)+C8H12(194) 2.451710e+27 -4.376 5.972 + +! Reaction index: Chemkin #2762; RMG #2762 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C8H13(191)<=>C5H8(173)+C8H12(194) 2.451710e+27 -4.376 8.206 + +! Reaction index: Chemkin #2763; RMG #2763 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C8H13(191)<=>C5H8(180)+C8H12(194) 2.451710e+27 -4.376 7.628 + +! Reaction index: Chemkin #2764; RMG #2764 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C8H13(191)<=>C5H6(187)+C8H12(194) 6.129270e+27 -4.376 7.003 + +! Reaction index: Chemkin #2765; RMG #2765 +! Library reaction: restart +! Flux pairs: C[CH]L(8), CCCC(C)L(16); [CH2]CC(195), CCCC(C)L(16); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]L(8)+[CH2]CC(195)<=>CCCC(C)L(16) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #2766; RMG #2766 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C9H17LR(65)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2767; RMG #2767 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C9H17LR(69)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2768; RMG #2768 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C9H17LR(66)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2769; RMG #2769 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C9H17LR(68)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2770; RMG #2770 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C9H17LR(72)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2771; RMG #2771 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C9H17LR(73)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2772; RMG #2772 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C9H17LR(71)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2773; RMG #2773 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C9H17LR(67)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2774; RMG #2774 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C9H17LR(70)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2775; RMG #2775 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C10H20R(64)<=>C3H6(18)+RC10(2) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2776; RMG #2776 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C10H20L(76)<=>C3H6(18)+LC10(3) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2777; RMG #2777 +! Library reaction: restart +! Flux pairs: [CH2]CC(195), C3H6(18); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+[CH2]CC(195)<=>C3H5R(12)+C3H6(18) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2778; RMG #2778 +! Library reaction: restart +! Flux pairs: [CH2]CC(195), CC(C)L(13); [CH2]C(C)L(4), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+[CH2]CC(195)<=>C3H6(18)+CC(C)L(13) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2779; RMG #2779 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C[CH]CC(C)L(7)<=>C3H6(18)+CCCC(C)L(16) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2780; RMG #2780 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H10R(171)<=>C3H6(18)+C6H11R(17) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2781; RMG #2781 +! Template reaction: Disproportionation +! Flux pairs: [CH2]CC(195), C3H6(18); C3H5(102), C3H6(18); +! Matched reaction 23 C3H5 + C3H7-2 <=> C3H6 + C3H6-2 in Disproportionation/training +! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C] +! family: Disproportionation +C3H5(102)+[CH2]CC(195)<=>C3H6(18)+C3H6(18) 5.800000e+12 0.000 -0.130 + +! Reaction index: Chemkin #2782; RMG #2782 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+[CH2]C(C)CR(6)<=>C3H6(18)+CC(C)CR(20) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2783; RMG #2783 +! Library reaction: restart +! Flux pairs: [CH2]CC(195), C3H6(18); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+[CH2]CC(195)<=>CR(22)+C3H6(18) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2784; RMG #2784 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C7H14R(9)<=>C3H6(18)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2785; RMG #2785 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(24); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C5H8L(89)<=>C3H6(18)+C5H9L(24) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2786; RMG #2786 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H12L(11)<=>C3H6(18)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2787; RMG #2787 +! Library reaction: restart +! Flux pairs: [CH2]CC(195), C3H6(18); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+[CH2]CC(195)<=>CCL(26)+C3H6(18) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2788; RMG #2788 +! Library reaction: restart +! Flux pairs: [CH2]CC(195), CCCR(27); C[CH]CR(10), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+[CH2]CC(195)<=>C3H6(18)+CCCR(27) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2789; RMG #2789 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), CCCC(C)CR(32); [CH2]CC(195), CCCC(C)CR(32); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]CR(10)+[CH2]CC(195)<=>CCCC(C)CR(32) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #2790; RMG #2790 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C[CH]CC(C)CR(5)<=>C3H6(18)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2791; RMG #2791 +! Library reaction: restart +! Flux pairs: [CH2]CC(195), C8H17L(49); C[CH]CC(C)L(7), C8H17L(49); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +[CH2]CC(195)+C[CH]CC(C)L(7)<=>C8H17L(49) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #2792; RMG #2792 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C8H16L(15)<=>C3H6(18)+C8H17L(49) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2793; RMG #2793 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H10R(90)<=>C3H6(18)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2794; RMG #2794 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H10R(171)<=>C3H6(18)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2795; RMG #2795 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(57); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C5H8L(77)<=>C3H6(18)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2796; RMG #2796 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(57); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C5H8L(89)<=>C3H6(18)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2797; RMG #2797 +! Library reaction: restart +! Flux pairs: [CH2]CC(195), C3H6(18); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+[CH2]CC(195)<=>C3H5R(58)+C3H6(18) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2798; RMG #2798 +! Library reaction: restart +! Flux pairs: [CH2]CC(195), C3H6(18); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+[CH2]CC(195)<=>C3H5L(59)+C3H6(18) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2799; RMG #2799 +! Library reaction: restart +! Flux pairs: C4H6R(79), C4H7R(60); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C4H6R(79)<=>C3H6(18)+C4H7R(60) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2800; RMG #2800 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C8H14L(112)<=>C3H6(18)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2801; RMG #2801 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C7H12R(108)<=>C3H6(18)+C7H13R(62) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2802; RMG #2802 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H10L(103)<=>C3H6(18)+C6H11L(63) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2803; RMG #2803 +! Template reaction: Disproportionation +! Flux pairs: [CH2]CC(195), C3H6(18); CH3(74), C(75); +! Matched reaction 20 CH3_r1 + C3H7-2 <=> CH4 + C3H6-2 in Disproportionation/training +! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1] +! family: Disproportionation +CH3(74)+[CH2]CC(195)<=>C(75)+C3H6(18) 2.300000e+13 -0.320 0.000 +DUPLICATE + +! Reaction index: Chemkin #2804; RMG #2804 +! Template reaction: Disproportionation +! Flux pairs: [CH2]CC(195), C3H6(18); CH3(74), C(75); +! Matched reaction 20 CH3_r1 + C3H7-2 <=> CH4 + C3H6-2 in Disproportionation/training +! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C] +! family: Disproportionation +CH3(74)+[CH2]CC(195)<=>C(75)+C3H6(18) 2.300000e+13 -0.320 0.000 +DUPLICATE + +! Reaction index: Chemkin #2805; RMG #2805 +! Library reaction: restart +! Flux pairs: C4H6R(79), C4H7R(81); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C4H6R(79)<=>C3H6(18)+C4H7R(81) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2806; RMG #2806 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: [CH2]CC(195), H(82); [CH2]CC(195), C3H6(18); +! Matched reaction 2920 C3H7-4 <=> propene_2 + H in R_Addition_MultipleBond/training +! This reaction matched rate rule [Cds-CsH_Cds-HH;HJ] +! family: R_Addition_MultipleBond +[CH2]CC(195)<=>H(82)+C3H6(18) 9.950000e+30 -5.300 43.000 + +! Reaction index: Chemkin #2807; RMG #2807 +! Template reaction: Disproportionation +! Flux pairs: [CH2]CC(195), C3H6(18); H(82), [H][H](83); +! Matched reaction 18 H + C3H7-2 <=> H2 + C3H6-2 in Disproportionation/training +! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H] +! family: Disproportionation +H(82)+[CH2]CC(195)<=>[H][H](83)+C3H6(18) 3.620000e+12 0.000 0.000 + +! Reaction index: Chemkin #2808; RMG #2808 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(84); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C5H8L(77)<=>C3H6(18)+C5H9L(84) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2809; RMG #2809 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C7H15(85)<=>C3H6(18)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2810; RMG #2810 +! Library reaction: restart +! Flux pairs: H(82), CCC(95); [CH2]CC(195), CCC(95); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- +! Sp-4R!H=3C_Sp-4R!H-3C +H(82)+[CH2]CC(195)<=>CCC(95) 9.174990e+13 0.115 0.000 + +! Reaction index: Chemkin #2811; RMG #2811 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CR(20), [CH2]C(C)CR(6); [CH2]CC(195), CCC(95); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]CC(195)+CC(C)CR(20)<=>CCC(95)+[CH2]C(C)CR(6) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #2812; RMG #2812 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]CC(195), CCC(95); CCCR(27), C[CH]CR(10); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCR(27)+[CH2]CC(195)<=>C[CH]CR(10)+CCC(95) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #2813; RMG #2813 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+CCCC(C)CR(32)<=>CCC(95)+C[CH]CC(C)CR(5) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #2814; RMG #2814 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]CC(195), CCC(95); CC(C)L(13), [CH2]C(C)L(4); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CC(C)L(13)+[CH2]CC(195)<=>[CH2]C(C)L(4)+CCC(95) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #2815; RMG #2815 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)CR(23), C7H14R(9); [CH2]CC(195), CCC(95); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]CC(195)+CC(C)CC(C)CR(23)<=>CCC(95)+C7H14R(9) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #2816; RMG #2816 +! Template reaction: H_Abstraction +! Flux pairs: CCCC(C)L(16), C[CH]CC(C)L(7); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+CCCC(C)L(16)<=>CCC(95)+C[CH]CC(C)L(7) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #2817; RMG #2817 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]CC(195), CCC(95); CCL(26), C[CH]L(8); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCL(26)+[CH2]CC(195)<=>C[CH]L(8)+CCC(95) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #2818; RMG #2818 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)L(25), C6H12L(11); [CH2]CC(195), CCC(95); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]CC(195)+CC(C)CC(C)L(25)<=>CCC(95)+C6H12L(11) 3.260600e-04 4.810 8.490 + +! Reaction index: Chemkin #2819; RMG #2819 +! Library reaction: restart +! Flux pairs: [CH2]CC(195), CCC(95); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+[CH2]CC(195)<=>C3H5R(12)+CCC(95) 1.225850e+27 -4.376 3.758 + +! Reaction index: Chemkin #2820; RMG #2820 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]CC(195), CCC(95); CR(22), [CH2]R(14); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\H2\Cs;C_rad/H2/Cs] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +CR(22)+[CH2]CC(195)<=>[CH2]R(14)+CCC(95) 1.630300e-04 4.810 8.490 + +! Reaction index: Chemkin #2821; RMG #2821 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C[CH]CC(C)CR(5)<=>CCC(95)+C6H11R(17) 1.225850e+27 -4.376 3.633 + +! Reaction index: Chemkin #2822; RMG #2822 +! Template reaction: Disproportionation +! Flux pairs: [CH2]CC(195), CCC(95); C[CH]C(94), C3H6(18); +! Matched reaction 27 C3H7-2 + C3H7 <=> C3H8 + C3H6-2 in Disproportionation/training +! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C] +! family: Disproportionation +C[CH]C(94)+[CH2]CC(195)<=>C3H6(18)+CCC(95) 5.130000e+13 -0.350 0.000 +DUPLICATE + +! Reaction index: Chemkin #2823; RMG #2823 +! Library reaction: restart +! Flux pairs: [CH2]CC(195), CCC(95); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+[CH2]CC(195)<=>C3H6(18)+CCC(95) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2824; RMG #2824 +! Template reaction: Disproportionation +! Flux pairs: [CH2]CC(195), CCC(95); C[CH]C(94), C3H6(18); +! Matched reaction 27 C3H7-2 + C3H7 <=> C3H8 + C3H6-2 in Disproportionation/training +! This reaction matched rate rule [Root_Ext-2R!H-R_2R!H->C] +! family: Disproportionation +C[CH]C(94)+[CH2]CC(195)<=>C3H6(18)+CCC(95) 5.130000e+13 -0.350 0.000 +DUPLICATE + +! Reaction index: Chemkin #2825; RMG #2825 +! Library reaction: restart +! Flux pairs: [CH2]CC(195), CCC(95); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+[CH2]CC(195)<=>C2H3L(19)+CCC(95) 1.225850e+27 -4.376 3.758 + +! Reaction index: Chemkin #2826; RMG #2826 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C8H16L(15)<=>CCC(95)+C8H15L(21) 1.225850e+27 -4.376 3.633 + +! Reaction index: Chemkin #2827; RMG #2827 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C[CH]CC(C)L(7)<=>CCC(95)+C5H9L(24) 1.225850e+27 -4.376 3.633 + +! Reaction index: Chemkin #2828; RMG #2828 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C[CH]CC(C)CR(5)<=>CCC(95)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2829; RMG #2829 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C[CH]CC(C)L(7)<=>CCC(95)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2830; RMG #2830 +! Library reaction: restart +! Flux pairs: [CH2]CC(195), CCC(95); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+[CH2]CC(195)<=>C3H5R(58)+CCC(95) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2831; RMG #2831 +! Library reaction: restart +! Flux pairs: [CH2]CC(195), CCC(95); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+[CH2]CC(195)<=>C3H5L(59)+CCC(95) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #2832; RMG #2832 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]CC(195)+[CH2]C(C)CR(6)<=>CCC(95)+C4H7R(60) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #2833; RMG #2833 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C8H16L(15)<=>CCC(95)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2834; RMG #2834 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]CC(195)+C7H14R(9)<=>CCC(95)+C7H13R(62) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #2835; RMG #2835 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]CC(195)+C6H12L(11)<=>CCC(95)+C6H11L(63) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #2836; RMG #2836 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(65) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #2837; RMG #2837 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(66); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(66) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #2838; RMG #2838 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(67); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(67) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #2839; RMG #2839 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(68); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(68) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #2840; RMG #2840 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(69) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #2841; RMG #2841 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(70); [CH2]CC(195), CCC(95); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(70) 1.630300e-04 4.810 8.490 + +! Reaction index: Chemkin #2842; RMG #2842 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(71); [CH2]CC(195), CCC(95); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(71) 1.630300e-04 4.810 8.490 + +! Reaction index: Chemkin #2843; RMG #2843 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(72) 2.434160e-04 4.470 6.593 + +! Reaction index: Chemkin #2844; RMG #2844 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(73); [CH2]CC(195), CCC(95); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(73) 1.630300e-04 4.810 8.490 + +! Reaction index: Chemkin #2845; RMG #2845 +! Template reaction: H_Abstraction +! Flux pairs: CCC(95), [CH2]CC(195); CH3(74), C(75); +! Estimated using template [C/H3/Cs\OneNonDe;C_methyl] for rate rule [C/H3/Cs\H2\Cs;C_methyl] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CH3(74)+CCC(95)<=>C(75)+[CH2]CC(195) 4.000000e+00 3.570 7.717 + +! Reaction index: Chemkin #2846; RMG #2846 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]CC(195)+C5H9L(57)<=>CCC(95)+C5H8L(77) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2847; RMG #2847 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(84), C5H8L(77); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C5H9L(84)<=>CCC(95)+C5H8L(77) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2848; RMG #2848 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]CC(195), CCC(95); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+[CH2]CC(195)<=>C3H4R(78)+CCC(95) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2849; RMG #2849 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]CC(195), CCC(95); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+[CH2]CC(195)<=>C3H4R(78)+CCC(95) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2850; RMG #2850 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H6R(79); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C4H7R(60)<=>CCC(95)+C4H6R(79) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2851; RMG #2851 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(81), C4H6R(79); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]CC(195)+C4H7R(81)<=>CCC(95)+C4H6R(79) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #2852; RMG #2852 +! Template reaction: H_Abstraction +! Flux pairs: CCC(95), [CH2]CC(195); H(82), [H][H](83); +! Estimated using average of templates [C/H3/Cs\OneNonDe;H_rad] + [C/H3/Cs\H2\Cs;Y_rad] for rate rule [C/H3/Cs\H2\Cs;H_rad] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +H(82)+CCC(95)<=>[H][H](83)+[CH2]CC(195) 1.663820e+04 2.718 6.496 + +! Reaction index: Chemkin #2853; RMG #2853 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)CC(C)C(87), C7H15(85); [CH2]CC(195), CCC(95); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +[CH2]CC(195)+CC(C)CC(C)C(87)<=>CCC(95)+C7H15(85) 6.521200e-04 4.810 8.490 + +! Reaction index: Chemkin #2854; RMG #2854 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(24), C5H8L(89); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C5H9L(24)<=>CCC(95)+C5H8L(89) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2855; RMG #2855 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(89); [CH2]CC(195), CCC(95); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]CC(195)+C5H9L(57)<=>CCC(95)+C5H8L(89) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2856; RMG #2856 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]CC(195)+C6H11R(56)<=>CCC(95)+C6H10R(90) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2857; RMG #2857 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(98), C6H10R(90); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C6H11R(98)<=>CCC(95)+C6H10R(90) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2858; RMG #2858 +! Template reaction: H_Abstraction +! Flux pairs: CCC(95), CCC(95); [CH2]CC(195), C[CH]C(94); +! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+CCC(95)<=>C[CH]C(94)+CCC(95) 1.840000e-03 4.340 7.000 + +! Reaction index: Chemkin #2859; RMG #2859 +! Template reaction: H_Abstraction +! Flux pairs: C8H17L(49), C8H16L(15); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C8H17L(49)<=>CCC(95)+C8H16L(15) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #2860; RMG #2860 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H10R(90)<=>C3H6(18)+C6H11R(98) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2861; RMG #2861 +! Template reaction: H_Abstraction +! Flux pairs: RC10(2), C10H20R(64); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+RC10(2)<=>CCC(95)+C10H20R(64) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #2862; RMG #2862 +! Template reaction: H_Abstraction +! Flux pairs: LC10(3), C10H20L(76); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+LC10(3)<=>CCC(95)+C10H20L(76) 2.163870e-03 4.290 7.536 + +! Reaction index: Chemkin #2863; RMG #2863 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]CC(195), CCC(95); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+[CH2]CC(195)<=>C3H5(102)+CCC(95) 2.961350e-04 4.545 4.565 + +! Reaction index: Chemkin #2864; RMG #2864 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H10L(103); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C6H11L(63)<=>CCC(95)+C6H10L(103) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2865; RMG #2865 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]CC(195)+C6H11L(107)<=>CCC(95)+C6H10L(103) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #2866; RMG #2866 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H10L(169)<=>C3H6(18)+C6H11L(107) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2867; RMG #2867 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H10L(103)<=>C3H6(18)+C6H11L(107) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2868; RMG #2868 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C7H13R(62)<=>CCC(95)+C7H12R(108) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2869; RMG #2869 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]CC(195)+C7H13R(120)<=>CCC(95)+C7H12R(108) 2.688720e-04 4.649 4.528 + +! Reaction index: Chemkin #2870; RMG #2870 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H9(113)<=>C3H6(18)+C6H10(110) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2871; RMG #2871 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]CC(195)+C8H15L(61)<=>CCC(95)+C8H14L(112) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2872; RMG #2872 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]CC(195)+C6H10(110)<=>CCC(95)+C6H9(113) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2873; RMG #2873 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C6H10(116)<=>CCC(95)+C6H9(114) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2874; RMG #2874 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H10(116); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +[CH2]CC(195)+C6H9(160)<=>C3H6(18)+C6H10(116) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2875; RMG #2875 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H9(114)<=>C3H6(18)+C6H10(116) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2876; RMG #2876 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(118); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +[CH2]CC(195)+C6H7(123)<=>C3H6(18)+C6H8(118) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2877; RMG #2877 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H9(114)<=>CCC(95)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2878; RMG #2878 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C7H12R(108)<=>C3H6(18)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2879; RMG #2879 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C6H8(118)<=>CCC(95)+C6H7(123) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #2880; RMG #2880 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C6H8(125)<=>CCC(95)+C6H7(123) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #2881; RMG #2881 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(125); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +[CH2]CC(195)+C6H7(123)<=>C3H6(18)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2882; RMG #2882 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H9(114)<=>CCC(95)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2883; RMG #2883 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +[CH2]CC(195)+C6H9(160)<=>CCC(95)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2884; RMG #2884 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]CC(195), CCC(95); C3H5L(59), C3H4L(147); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+[CH2]CC(195)<=>C3H4L(147)+CCC(95) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #2885; RMG #2885 +! Template reaction: H_Abstraction +! Flux pairs: C4H8(157), C4H7(156); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]CC(195)+C4H8(157)<=>CCC(95)+C4H7(156) 5.034000e-05 4.890 4.320 + +! Reaction index: Chemkin #2886; RMG #2886 +! Library reaction: restart +! Flux pairs: C4H7(156), C4H8(157); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +[CH2]CC(195)+C4H7(156)<=>C3H6(18)+C4H8(157) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2887; RMG #2887 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C6H10(116)<=>CCC(95)+C6H9(160) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2888; RMG #2888 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]CC(195)+C6H11L(107)<=>CCC(95)+C6H10L(169) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2889; RMG #2889 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H10R(171); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C6H11R(17)<=>CCC(95)+C6H10R(171) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2890; RMG #2890 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(171); [CH2]CC(195), CCC(95); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]CC(195)+C6H11R(56)<=>CCC(95)+C6H10R(171) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2891; RMG #2891 +! Library reaction: restart +! Flux pairs: C5H7(174), C5H8(173); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +[CH2]CC(195)+C5H7(174)<=>C3H6(18)+C5H8(173) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2892; RMG #2892 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(173), C5H7(174); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]CC(195)+C5H8(173)<=>CCC(95)+C5H7(174) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #2893; RMG #2893 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(180), C5H7(178); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +[CH2]CC(195)+C5H8(180)<=>CCC(95)+C5H7(178) 3.612000e-03 4.340 3.500 + +! Reaction index: Chemkin #2894; RMG #2894 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H8(180); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +[CH2]CC(195)+C5H7(178)<=>C3H6(18)+C5H8(180) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2895; RMG #2895 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C10H15(183)<=>CCC(95)+C10H14(184) 1.225850e+27 -4.376 5.367 + +! Reaction index: Chemkin #2896; RMG #2896 +! Library reaction: restart +! Flux pairs: C5H5(189), C5H6(187); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +[CH2]CC(195)+C5H5(189)<=>C3H6(18)+C5H6(187) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #2897; RMG #2897 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +[CH2]CC(195)+C5H7(178)<=>CCC(95)+C5H6(187) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2898; RMG #2898 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C5H6(187)<=>CCC(95)+C5H5(189) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #2899; RMG #2899 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C8H13(191)<=>CCC(95)+C8H12(194) 1.225850e+27 -4.376 3.758 + +! Reaction index: Chemkin #2900; RMG #2900 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CH3(74), [CH2]CC(195); C2H4(196), [CH2]CC(195); +! Matched reaction 2902 CH3 + C2H4 <=> C3H7 in R_Addition_MultipleBond/training +! This reaction matched rate rule [Cds-HH_Cds-HH;CsJ-HHH] +! family: R_Addition_MultipleBond +CH3(74)+C2H4(196)<=>[CH2]CC(195) 8.610000e+02 2.988 7.238 + +! Reaction index: Chemkin #2901; RMG #2901 +! Template reaction: Intra_R_Add_Exocyclic +! Flux pairs: C8H13(191), C8H13(197); +! Matched reaction 181 C8H13-17 <=> C8H13-18 in Intra_R_Add_Exocyclic/training +! This reaction matched rate rule [Backbone2_N-Sp-3R!H=1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-4R!H-R_Sp-7R!H=6R!H] +! family: Intra_R_Add_Exocyclic +C8H13(191)<=>C8H13(197) 6.190000e+11 0.210 14.020 + +! Reaction index: Chemkin #2902; RMG #2902 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C2H4(196), C8H13(198); C6H9(113), C8H13(198); +! From training reaction 13 used for Cds-HH_Cds-HH;CsJ-CdCdH +! Exact match found for rate rule [Cds-HH_Cds-HH;CsJ-CdCdH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C2H4(196)+C6H9(113)<=>C8H13(198) 2.971820e+02 2.951 4.541 + +! Reaction index: Chemkin #2903; RMG #2903 +! Library reaction: restart +! Flux pairs: H(82), C7H13R(120); C7H12R(199), C7H13R(120); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R_Ext-5R!H-R_Ext-3R!H-R +H(82)+C7H12R(199)<=>C7H13R(120) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #2904; RMG #2904 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C7H13R(120)<=>CC(C)CR(20)+C7H12R(199) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2905; RMG #2905 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CR(10)+C7H13R(120)<=>CCCR(27)+C7H12R(199) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2906; RMG #2906 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CC(C)CR(5)+C7H13R(120)<=>CCCC(C)CR(32)+C7H12R(199) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2907; RMG #2907 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)L(4)+C7H13R(120)<=>CC(C)L(13)+C7H12R(199) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2908; RMG #2908 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C7H13R(120), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C7H14R(9)<=>C7H12R(199)+CC(C)CC(C)CR(23) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2909; RMG #2909 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C7H13R(120)<=>CCCC(C)L(16)+C7H12R(199) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2910; RMG #2910 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]L(8)+C7H13R(120)<=>CCL(26)+C7H12R(199) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2911; RMG #2911 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H12L(11)+C7H13R(120)<=>CC(C)CC(C)L(25)+C7H12R(199) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2912; RMG #2912 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C7H12R(199)<=>C3H5R(12)+C7H13R(120) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #2913; RMG #2913 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]R(14)+C7H13R(120)<=>CR(22)+C7H12R(199) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2914; RMG #2914 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C7H12R(199)<=>C6H11R(17)+C7H13R(120) 1.225850e+27 -4.376 7.170 + +! Reaction index: Chemkin #2915; RMG #2915 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C7H12R(199)<=>C3H6(18)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2916; RMG #2916 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C7H12R(199)<=>C3H6(18)+C7H13R(120) 2.451710e+27 -4.376 7.254 + +! Reaction index: Chemkin #2917; RMG #2917 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C7H12R(199)<=>C2H3L(19)+C7H13R(120) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #2918; RMG #2918 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C8H16L(15)<=>C7H13R(120)+C8H15L(21) 1.225850e+27 -4.376 7.170 + +! Reaction index: Chemkin #2919; RMG #2919 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C7H12R(199)<=>C5H9L(24)+C7H13R(120) 1.225850e+27 -4.376 7.170 + +! Reaction index: Chemkin #2920; RMG #2920 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C7H12R(199)<=>C6H11R(56)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2921; RMG #2921 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C7H12R(199)<=>C5H9L(57)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2922; RMG #2922 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C7H12R(199)<=>C3H5R(58)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2923; RMG #2923 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C7H12R(199)<=>C3H5L(59)+C7H13R(120) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #2924; RMG #2924 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C7H12R(199)<=>C4H7R(60)+C7H13R(120) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #2925; RMG #2925 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(199)+C8H16L(15)<=>C7H13R(120)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2926; RMG #2926 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(120); C7H12R(199), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H12R(199)+C7H14R(9)<=>C7H13R(62)+C7H13R(120) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #2927; RMG #2927 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C7H12R(199)<=>C6H11L(63)+C7H13R(120) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #2928; RMG #2928 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C7H13R(120), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(66)<=>C7H12R(199)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2929; RMG #2929 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C7H13R(120), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(67)<=>C7H12R(199)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2930; RMG #2930 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C7H13R(120), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(68)<=>C7H12R(199)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2931; RMG #2931 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C7H13R(120), C7H12R(199); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(69)<=>C7H12R(199)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #2932; RMG #2932 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C7H13R(120), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(70)<=>C7H12R(199)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2933; RMG #2933 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C7H13R(120), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(71)<=>C7H12R(199)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2934; RMG #2934 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C7H13R(120), C7H12R(199); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(72)<=>C7H12R(199)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #2935; RMG #2935 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C7H13R(120), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(73)<=>C7H12R(199)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2936; RMG #2936 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); CH3(74), C(75); +! From training reaction 1082 used for C/H/Cs2Cd;C_methyl +! Exact match found for rate rule [C/H/Cs2Cd;C_methyl] +! Euclidian distance = 0 +! family: H_Abstraction +CH3(74)+C7H13R(120)<=>C(75)+C7H12R(199) 5.870000e-03 4.340 2.200 + +! Reaction index: Chemkin #2937; RMG #2937 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(199), C7H13R(120); C5H9L(57), C5H8L(77); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C7H12R(199)<=>C5H8L(77)+C7H13R(120) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #2938; RMG #2938 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C5H8L(77), C5H9L(84); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(77)+C7H13R(120)<=>C5H9L(84)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2939; RMG #2939 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C3H4R(78), C3H5R(12); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+C7H13R(120)<=>C3H5R(12)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2940; RMG #2940 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C3H4R(78), C3H5R(58); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+C7H13R(120)<=>C3H5R(58)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #2941; RMG #2941 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C4H6R(79), C4H7R(60); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6R(79)+C7H13R(120)<=>C4H7R(60)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2942; RMG #2942 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6R(79)+C7H13R(120)<=>C4H7R(81)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #2943; RMG #2943 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C7H13R(120), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C7H15(85)<=>C7H12R(199)+CC(C)CC(C)C(87) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2944; RMG #2944 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C5H8L(89), C5H9L(24); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+C7H13R(120)<=>C5H9L(24)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2945; RMG #2945 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C5H8L(89), C5H9L(57); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+C7H13R(120)<=>C5H9L(57)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #2946; RMG #2946 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(199), C7H13R(120); C6H11R(56), C6H10R(90); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C7H12R(199)<=>C6H10R(90)+C7H13R(120) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #2947; RMG #2947 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C6H10R(90), C6H11R(98); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(90)+C7H13R(120)<=>C6H11R(98)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2948; RMG #2948 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C[CH]C(94), CCC(95); +! From training reaction 1084 used for C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]C(94)+C7H13R(120)<=>CCC(95)+C7H12R(199) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2949; RMG #2949 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C3H5(102), C3H6(18); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5(102)+C7H13R(120)<=>C3H6(18)+C7H12R(199) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #2950; RMG #2950 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C6H10L(103), C6H11L(63); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(103)+C7H13R(120)<=>C6H11L(63)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2951; RMG #2951 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C6H10L(103), C6H11L(107); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(103)+C7H13R(120)<=>C6H11L(107)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #2952; RMG #2952 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H13R(62); C7H12R(108), C7H12R(199); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H12R(108)+C7H13R(120)<=>C7H12R(199)+C7H13R(62) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2953; RMG #2953 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H13R(120); C7H12R(108), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C7H12R(108)+C7H13R(120)<=>C7H12R(199)+C7H13R(120) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #2954; RMG #2954 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C7H12R(199), C7H13R(120); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C7H12R(199)+C8H15L(61)<=>C7H13R(120)+C8H14L(112) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #2955; RMG #2955 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C6H9(113), C6H10(110); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(113)+C7H13R(120)<=>C6H10(110)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #2956; RMG #2956 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C6H9(114), C6H10(116); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(114)+C7H13R(120)<=>C6H10(116)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2957; RMG #2957 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C7H12R(199)<=>C6H8(118)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2958; RMG #2958 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C7H13R(120), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C8H16L(15)<=>C7H12R(199)+C8H17L(49) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2959; RMG #2959 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C7H13R(120), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C10H20R(64)<=>C7H12R(199)+RC10(2) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2960; RMG #2960 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C7H13R(120), C7H12R(199); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C9H17LR(65)<=>C7H12R(199)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #2961; RMG #2961 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C7H13R(120), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C10H20L(76)<=>C7H12R(199)+LC10(3) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #2962; RMG #2962 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C6H7(123), C6H8(118); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H7(123)+C7H13R(120)<=>C6H8(118)+C7H12R(199) 2.920000e-03 4.340 12.900 + +! Reaction index: Chemkin #2963; RMG #2963 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C6H7(123), C6H8(125); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H7(123)+C7H13R(120)<=>C6H8(125)+C7H12R(199) 2.920000e-03 4.340 12.900 + +! Reaction index: Chemkin #2964; RMG #2964 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C7H12R(199)<=>C6H8(125)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2965; RMG #2965 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C7H12R(199)<=>C6H8(125)+C7H13R(120) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2966; RMG #2966 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(147)+C7H13R(120)<=>C3H5L(59)+C7H12R(199) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #2967; RMG #2967 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C4H7(156), C4H8(157); +! Estimated using template [C/H/Cs2Cd;C_rad/H2/Cd] for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7(156)+C7H13R(120)<=>C4H8(157)+C7H12R(199) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #2968; RMG #2968 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C6H9(160), C6H10(116); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9(160)+C7H13R(120)<=>C6H10(116)+C7H12R(199) 2.300000e-03 4.340 9.300 + +! Reaction index: Chemkin #2969; RMG #2969 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(199), C7H13R(120); C6H11L(107), C6H10L(169); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C7H12R(199)<=>C6H10L(169)+C7H13R(120) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #2970; RMG #2970 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C6H10R(171), C6H11R(17); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+C7H13R(120)<=>C6H11R(17)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #2971; RMG #2971 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C6H10R(171), C6H11R(56); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+C7H13R(120)<=>C6H11R(56)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #2972; RMG #2972 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C5H7(174), C5H8(173); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(174)+C7H13R(120)<=>C5H8(173)+C7H12R(199) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #2973; RMG #2973 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C5H7(178), C5H8(180); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(178)+C7H13R(120)<=>C5H8(180)+C7H12R(199) 2.300000e-03 4.340 9.300 + +! Reaction index: Chemkin #2974; RMG #2974 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C10H15(183)<=>C7H13R(120)+C10H14(184) 1.225850e+27 -4.376 9.741 + +! Reaction index: Chemkin #2975; RMG #2975 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C7H12R(199)<=>C5H6(187)+C7H13R(120) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #2976; RMG #2976 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C5H5(189), C5H6(187); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 5.0 +! family: H_Abstraction +C5H5(189)+C7H13R(120)<=>C5H6(187)+C7H12R(199) 7.300000e-03 4.340 12.900 + +! Reaction index: Chemkin #2977; RMG #2977 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C8H13(191)<=>C7H13R(120)+C8H12(194) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #2978; RMG #2978 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]CC(195)+C7H13R(120)<=>CCC(95)+C7H12R(199) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #2979; RMG #2979 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); H(82), [H][H](83); +! From training reaction 1081 used for C/H/Cs2Cd;H_rad +! Exact match found for rate rule [C/H/Cs2Cd;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(82)+C7H13R(120)<=>[H][H](83)+C7H12R(199) 2.480000e-01 4.340 0.100 + +! Reaction index: Chemkin #2980; RMG #2980 +! Library reaction: restart +! Flux pairs: C5H7(174), C10H14(200); C5H7(174), C10H14(200); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(174)+C5H7(174)<=>C10H14(200) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #2981; RMG #2981 +! Library reaction: restart +! Flux pairs: C5H5(189), C10H12(201); C5H7(174), C10H12(201); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 10.0 +C5H5(189)+C5H7(174)<=>C10H12(201) 1.767930e+17 -1.003 0.000 + +! Reaction index: Chemkin #2982; RMG #2982 +! Library reaction: restart +! Flux pairs: H(82), C10H14(179); C10H13(202), C10H14(179); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H +H(82)+C10H13(202)<=>C10H14(179) 1.576430e+13 -0.222 0.000 + +! Reaction index: Chemkin #2983; RMG #2983 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C10H14(179)<=>CCCR(27)+C10H13(202) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2984; RMG #2984 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C10H14(179)<=>CCL(26)+C10H13(202) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #2985; RMG #2985 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C10H13(202)<=>C3H5R(12)+C10H14(179) 1.225850e+27 -4.376 7.689 + +! Reaction index: Chemkin #2986; RMG #2986 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C10H14(179)<=>CR(22)+C10H13(202) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #2987; RMG #2987 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C10H13(202)<=>C6H11R(17)+C10H14(179) 1.225850e+27 -4.376 7.493 + +! Reaction index: Chemkin #2988; RMG #2988 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C10H13(202)<=>C3H6(18)+C10H14(179) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2989; RMG #2989 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C10H13(202)<=>C3H6(18)+C10H14(179) 2.451710e+27 -4.376 7.580 + +! Reaction index: Chemkin #2990; RMG #2990 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C10H13(202)<=>C2H3L(19)+C10H14(179) 1.225850e+27 -4.376 7.689 + +! Reaction index: Chemkin #2991; RMG #2991 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C10H13(202)<=>C8H15L(21)+C10H14(179) 1.225850e+27 -4.376 7.493 + +! Reaction index: Chemkin #2992; RMG #2992 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C10H13(202)<=>C5H9L(24)+C10H14(179) 1.225850e+27 -4.376 7.493 + +! Reaction index: Chemkin #2993; RMG #2993 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C10H13(202)<=>C6H11R(56)+C10H14(179) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2994; RMG #2994 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C10H13(202)<=>C5H9L(57)+C10H14(179) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2995; RMG #2995 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C10H13(202)<=>C3H5R(58)+C10H14(179) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2996; RMG #2996 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C10H13(202)<=>C3H5L(59)+C10H14(179) 5.258140e+13 -0.550 0.119 + +! Reaction index: Chemkin #2997; RMG #2997 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C10H13(202)<=>C4H7R(60)+C10H14(179) 5.258140e+13 -0.550 0.119 + +! Reaction index: Chemkin #2998; RMG #2998 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C10H13(202)<=>C8H15L(61)+C10H14(179) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #2999; RMG #2999 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C10H13(202)<=>C7H13R(62)+C10H14(179) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3000; RMG #3000 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C10H13(202)<=>C6H11L(63)+C10H14(179) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3001; RMG #3001 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C5H9L(57), C5H8L(77); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C10H13(202)<=>C5H8L(77)+C10H14(179) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #3002; RMG #3002 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C5H8L(77), C5H9L(84); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(77)+C10H14(179)<=>C5H9L(84)+C10H13(202) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3003; RMG #3003 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C3H4R(78), C3H5R(12); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C10H14(179)<=>C3H5R(12)+C10H13(202) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3004; RMG #3004 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C10H14(179)<=>C3H5R(58)+C10H13(202) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3005; RMG #3005 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C4H6R(79), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C10H14(179)<=>C4H7R(60)+C10H13(202) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3006; RMG #3006 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C10H14(179)<=>C4H7R(81)+C10H13(202) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3007; RMG #3007 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C5H8L(89), C5H9L(24); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C10H14(179)<=>C5H9L(24)+C10H13(202) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3008; RMG #3008 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C5H8L(89), C5H9L(57); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C10H14(179)<=>C5H9L(57)+C10H13(202) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3009; RMG #3009 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C6H11R(56), C6H10R(90); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C10H13(202)<=>C6H10R(90)+C10H14(179) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #3010; RMG #3010 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C6H10R(90), C6H11R(98); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(90)+C10H14(179)<=>C6H11R(98)+C10H13(202) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3011; RMG #3011 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C10H13(202)<=>C3H5(102)+C10H14(179) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #3012; RMG #3012 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C6H10L(103), C6H11L(63); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C10H14(179)<=>C6H11L(63)+C10H13(202) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3013; RMG #3013 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C6H10L(103), C6H11L(107); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C10H14(179)<=>C6H11L(107)+C10H13(202) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3014; RMG #3014 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C7H12R(108), C7H13R(62); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H12R(108)+C10H14(179)<=>C7H13R(62)+C10H13(202) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3015; RMG #3015 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C7H12R(108), C7H13R(120); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H12R(108)+C10H14(179)<=>C7H13R(120)+C10H13(202) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3016; RMG #3016 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C10H13(202)<=>C6H9(113)+C10H14(179) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #3017; RMG #3017 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C6H9(114), C6H10(116); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9(114)+C10H14(179)<=>C6H10(116)+C10H13(202) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3018; RMG #3018 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C10H13(202)<=>C6H8(118)+C10H14(179) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3019; RMG #3019 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C6H8(118), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C10H13(202)<=>C6H7(123)+C10H14(179) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #3020; RMG #3020 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C6H8(125), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C10H13(202)<=>C6H7(123)+C10H14(179) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #3021; RMG #3021 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C10H13(202)<=>C6H8(125)+C10H14(179) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3022; RMG #3022 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C10H13(202)<=>C6H8(125)+C10H14(179) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3023; RMG #3023 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C10H14(179)<=>C3H5L(59)+C10H13(202) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #3024; RMG #3024 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C10H14(179)<=>C4H8(157)+C10H13(202) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #3025; RMG #3025 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C6H9(160), C6H10(116); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H9(160)+C10H14(179)<=>C6H10(116)+C10H13(202) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #3026; RMG #3026 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C6H11L(107), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C10H13(202)<=>C6H10L(169)+C10H14(179) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #3027; RMG #3027 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C6H10R(171), C6H11R(17); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C10H14(179)<=>C6H11R(17)+C10H13(202) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3028; RMG #3028 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C6H10R(171), C6H11R(56); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C10H14(179)<=>C6H11R(56)+C10H13(202) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3029; RMG #3029 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C10H13(202)<=>C5H7(174)+C10H14(179) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #3030; RMG #3030 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C10H13(202)<=>C5H7(178)+C10H14(179) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #3031; RMG #3031 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H6(187), C10H13(202); C5H7(174), C10H13(202); +! Estimated using template [Cds-CsH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdHH] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: R_Addition_MultipleBond +C5H6(187)+C5H7(174)<=>C10H13(202) 4.760000e+04 2.410 10.290 + +! Reaction index: Chemkin #3032; RMG #3032 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C10H13(202)<=>C5H6(187)+C10H14(179) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3033; RMG #3033 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C10H13(202), C10H14(179); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H13(202)+C10H15(183)<=>C10H14(179)+C10H14(184) 1.225850e+27 -4.376 10.132 + +! Reaction index: Chemkin #3034; RMG #3034 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C10H13(202)<=>C8H12(194)+C10H14(179) 1.225850e+27 -4.376 7.689 + +! Reaction index: Chemkin #3035; RMG #3035 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(65)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3036; RMG #3036 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(69)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3037; RMG #3037 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(66)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3038; RMG #3038 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(68)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3039; RMG #3039 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(72)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3040; RMG #3040 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(73)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3041; RMG #3041 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(71)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3042; RMG #3042 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(67)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3043; RMG #3043 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(70)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3044; RMG #3044 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C10H13(202), C10H12(201); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H13(202)+C10H20R(64)<=>C10H12(201)+RC10(2) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3045; RMG #3045 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C10H13(202), C10H12(201); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H13(202)+C10H20L(76)<=>C10H12(201)+LC10(3) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3046; RMG #3046 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C10H13(202)<=>C3H5R(12)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3047; RMG #3047 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C10H13(202)<=>CC(C)L(13)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3048; RMG #3048 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C10H13(202)<=>CCCC(C)L(16)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3049; RMG #3049 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C10H13(202)<=>C6H11R(17)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3050; RMG #3050 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C10H13(202)<=>C3H6(18)+C10H12(201) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3051; RMG #3051 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C10H13(202)<=>CC(C)CR(20)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3052; RMG #3052 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C10H13(202)<=>CR(22)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3053; RMG #3053 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H14R(9)+C10H13(202)<=>CC(C)CC(C)CR(23)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3054; RMG #3054 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C10H13(202)<=>C5H9L(24)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3055; RMG #3055 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H12L(11)+C10H13(202)<=>CC(C)CC(C)L(25)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3056; RMG #3056 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C10H13(202)<=>CCL(26)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3057; RMG #3057 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C10H13(202)<=>CCCR(27)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3058; RMG #3058 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C10H13(202)<=>CCCC(C)CR(32)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3059; RMG #3059 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C10H13(202)<=>C8H17L(49)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3060; RMG #3060 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C10H13(202)<=>C6H11R(56)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3061; RMG #3061 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C10H13(202)<=>C6H11R(56)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3062; RMG #3062 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C10H13(202)<=>C5H9L(57)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3063; RMG #3063 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C10H13(202)<=>C5H9L(57)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3064; RMG #3064 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C10H13(202)<=>C3H5R(58)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3065; RMG #3065 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C10H13(202)<=>C3H5L(59)+C10H12(201) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3066; RMG #3066 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C10H13(202)<=>C4H7R(60)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3067; RMG #3067 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H14L(112)+C10H13(202)<=>C8H15L(61)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3068; RMG #3068 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(108)+C10H13(202)<=>C7H13R(62)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3069; RMG #3069 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C10H13(202)<=>C6H11L(63)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3070; RMG #3070 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C10H13(202)<=>C(75)+C10H12(201) 1.150000e+13 -0.320 0.000 +DUPLICATE + +! Reaction index: Chemkin #3071; RMG #3071 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(74)+C10H13(202)<=>C(75)+C10H12(201) 9.124700e+12 -0.160 0.000 +DUPLICATE + +! Reaction index: Chemkin #3072; RMG #3072 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C10H13(202)<=>C4H7R(81)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3073; RMG #3073 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C10H13(202)<=>[H][H](83)+C10H12(201) 1.191690e+10 0.568 0.000 + +! Reaction index: Chemkin #3074; RMG #3074 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C10H13(202)<=>C5H9L(84)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3075; RMG #3075 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H15(85)+C10H13(202)<=>CC(C)CC(C)C(87)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3076; RMG #3076 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]C(94)+C10H13(202)<=>CCC(95)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3077; RMG #3077 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C10H13(202)<=>CCC(95)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3078; RMG #3078 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C10H13(202)<=>C6H11R(98)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3079; RMG #3079 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C10H13(202)<=>C6H11L(107)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3080; RMG #3080 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C10H13(202)<=>C6H11L(107)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3081; RMG #3081 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(113)+C10H13(202)<=>C6H10(110)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3082; RMG #3082 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C10H13(202)<=>C6H10(116)+C10H12(201) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3083; RMG #3083 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C10H13(202)<=>C6H10(116)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3084; RMG #3084 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C10H13(202)<=>C6H8(118)+C10H12(201) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3085; RMG #3085 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(199)+C10H13(202)<=>C7H13R(120)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3086; RMG #3086 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(108)+C10H13(202)<=>C7H13R(120)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3087; RMG #3087 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C10H13(202)<=>C6H8(125)+C10H12(201) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3088; RMG #3088 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H7(156)+C10H13(202)<=>C4H8(157)+C10H12(201) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3089; RMG #3089 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C10H13(202)<=>C5H8(173)+C10H12(201) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3090; RMG #3090 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C10H13(202)<=>C5H8(180)+C10H12(201) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3091; RMG #3091 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C5H5(189)+C10H13(202)<=>C5H6(187)+C10H12(201) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #3092; RMG #3092 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C10H13(202); C10H12(201), C10H13(202); +! From training reaction 11 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ +! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +H(82)+C10H12(201)<=>C10H13(202) 3.300000e+09 1.480 0.900 + +! Reaction index: Chemkin #3093; RMG #3093 +! Library reaction: restart +! Flux pairs: H(82), CC(L)CC(C)L(35); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R +H(82)+C5H9L2(203)<=>CC(L)CC(C)L(35) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #3094; RMG #3094 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+CC(L)CC(C)L(35)<=>CC(C)CR(20)+C5H9L2(203) 4.868320e-04 4.470 6.593 + +! Reaction index: Chemkin #3095; RMG #3095 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+CC(L)CC(C)L(35)<=>CCCR(27)+C5H9L2(203) 2.554250e-04 4.473 6.257 + +! Reaction index: Chemkin #3096; RMG #3096 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); CC(L)CC(C)L(35), C5H9L2(203); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C[CH]CC(C)CR(5)<=>C5H9L2(203)+CCCC(C)CR(32) 2.554250e-04 4.473 6.257 + +! Reaction index: Chemkin #3097; RMG #3097 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+CC(L)CC(C)L(35)<=>CC(C)L(13)+C5H9L2(203) 4.868320e-04 4.470 6.593 + +! Reaction index: Chemkin #3098; RMG #3098 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); CC(L)CC(C)L(35), C5H9L2(203); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C7H14R(9)<=>C5H9L2(203)+CC(C)CC(C)CR(23) 4.868320e-04 4.470 6.593 + +! Reaction index: Chemkin #3099; RMG #3099 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); CC(L)CC(C)L(35), C5H9L2(203); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C[CH]CC(C)L(7)<=>C5H9L2(203)+CCCC(C)L(16) 2.554250e-04 4.473 6.257 + +! Reaction index: Chemkin #3100; RMG #3100 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+CC(L)CC(C)L(35)<=>CCL(26)+C5H9L2(203) 2.554250e-04 4.473 6.257 + +! Reaction index: Chemkin #3101; RMG #3101 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); CC(L)CC(C)L(35), C5H9L2(203); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C6H12L(11)<=>C5H9L2(203)+CC(C)CC(C)L(25) 4.868320e-04 4.470 6.593 + +! Reaction index: Chemkin #3102; RMG #3102 +! Library reaction: restart +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C5H9L2(203)<=>C3H5R(12)+CC(L)CC(C)L(35) 1.225850e+27 -4.376 4.616 + +! Reaction index: Chemkin #3103; RMG #3103 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+CC(L)CC(C)L(35)<=>CR(22)+C5H9L2(203) 4.868320e-04 4.470 6.593 + +! Reaction index: Chemkin #3104; RMG #3104 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); CC(L)CC(C)L(35), C5H9L2(203); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C8H16L(15)<=>C5H9L2(203)+C8H17L(49) 2.554250e-04 4.473 6.257 + +! Reaction index: Chemkin #3105; RMG #3105 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C[CH]CC(C)CR(5)<=>CC(L)CC(C)L(35)+C6H11R(17) 1.225850e+27 -4.376 4.474 + +! Reaction index: Chemkin #3106; RMG #3106 +! Library reaction: restart +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C5H9L2(203)<=>C3H6(18)+CC(L)CC(C)L(35) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3107; RMG #3107 +! Library reaction: restart +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C5H9L2(203)<=>C3H6(18)+CC(L)CC(C)L(35) 2.451710e+27 -4.376 4.536 + +! Reaction index: Chemkin #3108; RMG #3108 +! Library reaction: restart +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C5H9L2(203)<=>C2H3L(19)+CC(L)CC(C)L(35) 1.225850e+27 -4.376 4.616 + +! Reaction index: Chemkin #3109; RMG #3109 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C8H16L(15)<=>CC(L)CC(C)L(35)+C8H15L(21) 1.225850e+27 -4.376 4.474 + +! Reaction index: Chemkin #3110; RMG #3110 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), CC(L)CC(C)L(35); C5H9L2(203), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C[CH]CC(C)L(7)<=>C5H9L(24)+CC(L)CC(C)L(35) 1.225850e+27 -4.376 4.474 + +! Reaction index: Chemkin #3111; RMG #3111 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9L2(203)+C[CH]CC(C)CR(5)<=>CC(L)CC(C)L(35)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3112; RMG #3112 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), CC(L)CC(C)L(35); C5H9L2(203), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9L2(203)+C[CH]CC(C)L(7)<=>C5H9L(57)+CC(L)CC(C)L(35) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3113; RMG #3113 +! Library reaction: restart +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C5H9L2(203)<=>C3H5R(58)+CC(L)CC(C)L(35) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3114; RMG #3114 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C[CH]L(8), C5H9L2(203); C3H5L(59), C5H9L2(203); +! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]L(8)+C3H5L(59)<=>C5H9L2(203) 5.575000e+02 2.470 3.895 + +! Reaction index: Chemkin #3115; RMG #3115 +! Library reaction: restart +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C5H9L2(203)<=>C3H5L(59)+CC(L)CC(C)L(35) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3116; RMG #3116 +! Library reaction: restart +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C5H9L2(203)<=>C4H7R(60)+CC(L)CC(C)L(35) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3117; RMG #3117 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9L2(203)+C8H16L(15)<=>CC(L)CC(C)L(35)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3118; RMG #3118 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H9L2(203)+C7H14R(9)<=>CC(L)CC(C)L(35)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3119; RMG #3119 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H9L2(203)+C6H12L(11)<=>CC(L)CC(C)L(35)+C6H11L(63) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3120; RMG #3120 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); CC(L)CC(C)L(35), C5H9L2(203); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C10H20R(64)<=>C5H9L2(203)+RC10(2) 2.554250e-04 4.473 6.257 + +! Reaction index: Chemkin #3121; RMG #3121 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C5H9L2(203), CC(L)CC(C)L(35); +! From training reaction 3026 used for C/H/Cs3;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs3;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L2(203)+RC10L(1)<=>CC(L)CC(C)L(35)+C9H17LR(65) 5.420000e-04 4.340 4.900 + +! Reaction index: Chemkin #3122; RMG #3122 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); CC(L)CC(C)L(35), C5H9L2(203); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C9H17LR(66)<=>C5H9L2(203)+RC10L(1) 2.554250e-04 4.473 6.257 + +! Reaction index: Chemkin #3123; RMG #3123 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); CC(L)CC(C)L(35), C5H9L2(203); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C9H17LR(67)<=>C5H9L2(203)+RC10L(1) 2.554250e-04 4.473 6.257 + +! Reaction index: Chemkin #3124; RMG #3124 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); CC(L)CC(C)L(35), C5H9L2(203); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C9H17LR(68)<=>C5H9L2(203)+RC10L(1) 2.554250e-04 4.473 6.257 + +! Reaction index: Chemkin #3125; RMG #3125 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); CC(L)CC(C)L(35), C5H9L2(203); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C9H17LR(70)<=>C5H9L2(203)+RC10L(1) 4.868320e-04 4.470 6.593 + +! Reaction index: Chemkin #3126; RMG #3126 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); CC(L)CC(C)L(35), C5H9L2(203); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C9H17LR(71)<=>C5H9L2(203)+RC10L(1) 4.868320e-04 4.470 6.593 + +! Reaction index: Chemkin #3127; RMG #3127 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); CH3(74), C(75); +! From training reaction 953 used for C/H/Cs3;C_methyl +! Exact match found for rate rule [C/H/Cs3;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(74)+CC(L)CC(C)L(35)<=>C(75)+C5H9L2(203) 2.260000e-02 4.340 7.690 + +! Reaction index: Chemkin #3128; RMG #3128 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); CC(L)CC(C)L(35), C5H9L2(203); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C10H20L(76)<=>C5H9L2(203)+LC10(3) 2.554250e-04 4.473 6.257 + +! Reaction index: Chemkin #3129; RMG #3129 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C5H9L(57), C5H8L(77); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C5H9L2(203)<=>C5H8L(77)+CC(L)CC(C)L(35) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #3130; RMG #3130 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C5H8L(77), C5H9L(84); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(77)+CC(L)CC(C)L(35)<=>C5H9L(84)+C5H9L2(203) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #3131; RMG #3131 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C3H4R(78), C3H5R(12); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+CC(L)CC(C)L(35)<=>C3H5R(12)+C5H9L2(203) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #3132; RMG #3132 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C3H4R(78), C3H5R(58); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+CC(L)CC(C)L(35)<=>C3H5R(58)+C5H9L2(203) 3.380000e-02 4.340 16.600 + +! Reaction index: Chemkin #3133; RMG #3133 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C4H6R(79), C4H7R(60); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+CC(L)CC(C)L(35)<=>C4H7R(60)+C5H9L2(203) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #3134; RMG #3134 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+C5H9L2(203)<=>C4H6R(79)+CC(L)CC(C)L(35) 5.136920e-04 4.418 3.856 + +! Reaction index: Chemkin #3135; RMG #3135 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); CC(L)CC(C)L(35), C5H9L2(203); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C7H15(85)<=>C5H9L2(203)+CC(C)CC(C)C(87) 4.868320e-04 4.470 6.593 + +! Reaction index: Chemkin #3136; RMG #3136 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C5H8L(89), C5H9L(24); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+CC(L)CC(C)L(35)<=>C5H9L(24)+C5H9L2(203) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #3137; RMG #3137 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C5H8L(89), C5H9L(57); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+CC(L)CC(C)L(35)<=>C5H9L(57)+C5H9L2(203) 3.380000e-02 4.340 16.600 + +! Reaction index: Chemkin #3138; RMG #3138 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C5H9L2(203), CC(L)CC(C)L(35); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L2(203)+C6H11R(56)<=>CC(L)CC(C)L(35)+C6H10R(90) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #3139; RMG #3139 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); CC(L)CC(C)L(35), C5H9L2(203); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C6H10R(90)<=>C5H9L2(203)+C6H11R(98) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #3140; RMG #3140 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C[CH]C(94), CCC(95); +! From training reaction 955 used for C/H/Cs3;C_rad/H/Cs\H3/Cs\H3 +! Exact match found for rate rule [C/H/Cs3;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]C(94)+CC(L)CC(C)L(35)<=>CCC(95)+C5H9L2(203) 1.622000e-03 4.340 5.300 + +! Reaction index: Chemkin #3141; RMG #3141 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C3H6(18), C3H5(102); +! From training reaction 999 used for C/H3/Cd\H_Cd\H2;C_rad/Cs3 +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C5H9L2(203)<=>C3H5(102)+CC(L)CC(C)L(35) 1.014000e-03 4.340 3.700 + +! Reaction index: Chemkin #3142; RMG #3142 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); CC(L)CC(C)L(35), C5H9L2(203); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C6H10L(103)<=>C5H9L2(203)+C6H11L(63) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #3143; RMG #3143 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C5H9L2(203)+C6H11L(107)<=>CC(L)CC(C)L(35)+C6H10L(103) 5.136920e-04 4.418 3.856 + +! Reaction index: Chemkin #3144; RMG #3144 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); CC(L)CC(C)L(35), C5H9L2(203); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C7H12R(108)<=>C5H9L2(203)+C7H13R(62) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #3145; RMG #3145 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C5H9L2(203)+C7H13R(120)<=>CC(L)CC(C)L(35)+C7H12R(108) 5.136920e-04 4.418 3.856 + +! Reaction index: Chemkin #3146; RMG #3146 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(113), C6H10(110); CC(L)CC(C)L(35), C5H9L2(203); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C6H9(113)<=>C5H9L2(203)+C6H10(110) 3.380000e-02 4.340 16.850 + +! Reaction index: Chemkin #3147; RMG #3147 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(114), C6H10(116); CC(L)CC(C)L(35), C5H9L2(203); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C6H9(114)<=>C5H9L2(203)+C6H10(116) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #3148; RMG #3148 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C5H9L2(203), CC(L)CC(C)L(35); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L2(203)+C8H15L(61)<=>CC(L)CC(C)L(35)+C8H14L(112) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #3149; RMG #3149 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9L2(203)+C6H9(114)<=>CC(L)CC(C)L(35)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3150; RMG #3150 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C5H9L2(203), CC(L)CC(C)L(35); +! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L2(203)+C6H8(118)<=>CC(L)CC(C)L(35)+C6H7(123) 1.916000e-03 4.340 -2.500 + +! Reaction index: Chemkin #3151; RMG #3151 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C5H9L2(203), CC(L)CC(C)L(35); +! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L2(203)+C6H8(125)<=>CC(L)CC(C)L(35)+C6H7(123) 1.916000e-03 4.340 -2.500 + +! Reaction index: Chemkin #3152; RMG #3152 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9L2(203)+C6H9(114)<=>CC(L)CC(C)L(35)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3153; RMG #3153 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H9L2(203)+C6H9(160)<=>CC(L)CC(C)L(35)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3154; RMG #3154 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C3H5L(59), C3H4L(147); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+C5H9L2(203)<=>C3H4L(147)+CC(L)CC(C)L(35) 4.320000e-05 4.520 1.460 + +! Reaction index: Chemkin #3155; RMG #3155 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C4H8(157), C4H7(156); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+C5H9L2(203)<=>C4H7(156)+CC(L)CC(C)L(35) 8.640000e-05 4.520 1.460 + +! Reaction index: Chemkin #3156; RMG #3156 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(160), C6H10(116); CC(L)CC(C)L(35), C5H9L2(203); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C6H9(160)<=>C5H9L2(203)+C6H10(116) 2.780000e-02 4.340 14.900 + +! Reaction index: Chemkin #3157; RMG #3157 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C5H9L2(203), CC(L)CC(C)L(35); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L2(203)+C6H11L(107)<=>CC(L)CC(C)L(35)+C6H10L(169) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #3158; RMG #3158 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); CC(L)CC(C)L(35), C5H9L2(203); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C6H10R(171)<=>C5H9L2(203)+C6H11R(17) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #3159; RMG #3159 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); CC(L)CC(C)L(35), C5H9L2(203); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C6H10R(171)<=>C5H9L2(203)+C6H11R(56) 3.380000e-02 4.340 16.600 + +! Reaction index: Chemkin #3160; RMG #3160 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C5H7(174), C5H8(173); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H7(174)+CC(L)CC(C)L(35)<=>C5H8(173)+C5H9L2(203) 6.760000e-02 4.340 16.600 + +! Reaction index: Chemkin #3161; RMG #3161 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C5H7(178), C5H8(180); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H7(178)+CC(L)CC(C)L(35)<=>C5H8(180)+C5H9L2(203) 2.780000e-02 4.340 14.900 + +! Reaction index: Chemkin #3162; RMG #3162 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C10H15(183)<=>CC(L)CC(C)L(35)+C10H14(184) 1.225850e+27 -4.376 6.429 + +! Reaction index: Chemkin #3163; RMG #3163 +! Library reaction: restart +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C5H9L2(203)<=>C5H6(187)+CC(L)CC(C)L(35) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3164; RMG #3164 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C5H6(187), C5H5(189); +! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C5H9L2(203)<=>C5H5(189)+CC(L)CC(C)L(35) 1.916000e-03 4.340 -2.500 + +! Reaction index: Chemkin #3165; RMG #3165 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C8H13(191)<=>CC(L)CC(C)L(35)+C8H12(194) 1.225850e+27 -4.376 4.616 + +! Reaction index: Chemkin #3166; RMG #3166 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C5H9L2(203), CC(L)CC(C)L(35); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L2(203)+C7H13R(120)<=>CC(L)CC(C)L(35)+C7H12R(199) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #3167; RMG #3167 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9L2(203)+C10H13(202)<=>CC(L)CC(C)L(35)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3168; RMG #3168 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); RC10L(1), C9H17LR(65); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C10H13(202)<=>C9H17LR(65)+C10H14(179) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #3169; RMG #3169 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); RC10L(1), C9H17LR(69); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C10H13(202)<=>C9H17LR(69)+C10H14(179) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #3170; RMG #3170 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C9H17LR(66), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(66)+C10H14(179)<=>RC10L(1)+C10H13(202) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #3171; RMG #3171 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C9H17LR(68), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(68)+C10H14(179)<=>RC10L(1)+C10H13(202) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #3172; RMG #3172 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); RC10L(1), C9H17LR(72); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C10H13(202)<=>C9H17LR(72)+C10H14(179) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #3173; RMG #3173 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C9H17LR(73), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(73)+C10H14(179)<=>RC10L(1)+C10H13(202) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #3174; RMG #3174 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C9H17LR(71), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(71)+C10H14(179)<=>RC10L(1)+C10H13(202) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #3175; RMG #3175 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C9H17LR(67), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(67)+C10H14(179)<=>RC10L(1)+C10H13(202) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #3176; RMG #3176 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C9H17LR(70), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(70)+C10H14(179)<=>RC10L(1)+C10H13(202) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #3177; RMG #3177 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); CC(L)CC(C)L(35), C5H9L2(203); +! From training reaction 3026 used for C/H/Cs3;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs3;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C9H17LR(69)<=>C5H9L2(203)+RC10L(1) 1.084000e-03 4.340 4.900 + +! Reaction index: Chemkin #3178; RMG #3178 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); CC(L)CC(C)L(35), C5H9L2(203); +! From training reaction 3026 used for C/H/Cs3;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs3;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C9H17LR(72)<=>C5H9L2(203)+RC10L(1) 1.084000e-03 4.340 4.900 + +! Reaction index: Chemkin #3179; RMG #3179 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); CC(L)CC(C)L(35), C5H9L2(203); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C9H17LR(73)<=>C5H9L2(203)+RC10L(1) 4.868320e-04 4.470 6.593 + +! Reaction index: Chemkin #3180; RMG #3180 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C10H14(179)<=>CC(C)L(13)+C10H13(202) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #3181; RMG #3181 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C10H14(179)<=>CC(C)CR(20)+C10H13(202) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #3182; RMG #3182 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H12L(11)+C10H14(179)<=>CC(C)CC(C)L(25)+C10H13(202) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #3183; RMG #3183 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+CC(L)CC(C)L(35)<=>CCC(95)+C5H9L2(203) 4.868320e-04 4.470 6.593 + +! Reaction index: Chemkin #3184; RMG #3184 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C10H13(202)<=>CH3(74)+C10H14(179) 4.240000e-02 4.340 24.900 + +! Reaction index: Chemkin #3185; RMG #3185 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); H(82), [H][H](83); +! From training reaction 952 used for C/H/Cs3;H_rad +! Exact match found for rate rule [C/H/Cs3;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(82)+CC(L)CC(C)L(35)<=>[H][H](83)+C5H9L2(203) 9.520000e-01 4.340 2.000 + +! Reaction index: Chemkin #3186; RMG #3186 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C10H13(202)<=>C[CH]C(94)+C10H14(179) 1.476000e-02 4.340 18.000 + +! Reaction index: Chemkin #3187; RMG #3187 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C10H14(179)<=>CCC(95)+C10H13(202) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #3188; RMG #3188 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C7H13R(120), C7H12R(199); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C10H13(202)<=>C7H12R(199)+C10H14(179) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #3189; RMG #3189 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C10H13(202), C10H12(201); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H13(202)+C10H13(202)<=>C10H12(201)+C10H14(179) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3190; RMG #3190 +! Library reaction: restart +! Flux pairs: C5H7(174), C11H16(204); C6H9(114), C11H16(204); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(174)+C6H9(114)<=>C11H16(204) 3.535860e+16 -1.003 0.000 + +! Reaction index: Chemkin #3191; RMG #3191 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7L(104), C10H14L(205); C5H7(174), C10H14L(205); +! From training reaction 475 used for Cds-CsH_Cds-CdH;CsJ-CdHH +! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C5H7L(104)+C5H7(174)<=>C10H14L(205) 2.380000e+04 2.410 10.290 + +! Reaction index: Chemkin #3192; RMG #3192 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C[CH]CR(10), C7H11LR(206); C4H5L(91), C7H11LR(206); +! From training reaction 473 used for Cds-CsH_Cds-CdH;CsJ-CsCsH +! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]CR(10)+C4H5L(91)<=>C7H11LR(206) 9.220000e+02 2.410 2.240 + +! Reaction index: Chemkin #3193; RMG #3193 +! Library reaction: restart +! Flux pairs: C3H4R(78), C8H9R(207); C5H5(189), C8H9R(207); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 5.0 +C3H4R(78)+C5H5(189)<=>C8H9R(207) 8.839650e+16 -1.003 0.000 + +! Reaction index: Chemkin #3194; RMG #3194 +! Library reaction: restart +! Flux pairs: C8H11LR(134), C8H11LR(208); +! Estimated from node Backbone2_N-Sp-3R!H=1R!H_N-1R!H-inRing_Sp-4R!H-3R!H_Ext-5R!H-R +C8H11LR(134)<=>C8H11LR(208) 2.322560e-20 8.934 1.071 + +! Reaction index: Chemkin #3195; RMG #3195 +! Library reaction: restart +! Flux pairs: C8H11LR(208), C8H11LR(209); +! Estimated from node Backbone2_N-Sp-3R!H=1R!H_1R!H-inRing_3R!H-inRing_Ext-5R!H-R +C8H11LR(208)<=>C8H11LR(209) 4.825870e+53 -11.671 43.762 + +! Reaction index: Chemkin #3196; RMG #3196 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H6(187), C10H13(210); C5H7(174), C10H13(210); +! From training reaction 50 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH +! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C5H6(187)+C5H7(174)<=>C10H13(210) 5.760000e+01 2.740 3.300 + +! Reaction index: Chemkin #3197; RMG #3197 +! Library reaction: restart +! Flux pairs: C5H7(174), C11H16(211); C6H9(114), C11H16(211); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(174)+C6H9(114)<=>C11H16(211) 3.535860e+16 -1.003 0.000 + +! Reaction index: Chemkin #3198; RMG #3198 +! Library reaction: restart +! Flux pairs: C7H9LR(212), C7H9LR(154); +! Estimated from node Backbone3_N-Sp-4R!H=1R!H_Sp-2R!H-1R!H_Ext-5R!H-R_Ext-7R!H-R_4R!H-inRing +C7H9LR(212)<=>C7H9LR(154) 6.090000e+08 0.695 15.986 + +! Reaction index: Chemkin #3199; RMG #3199 +! Library reaction: restart +! Flux pairs: C3H4R(78), C8H11R(213); C5H7(174), C8H11R(213); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C5H7(174)<=>C8H11R(213) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #3200; RMG #3200 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C[CH]CR(10), C8H14R(214); C5H8(173), C8H14R(214); +! From training reaction 275 used for Cds-HH_Cds-CdH;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]CR(10)+C5H8(173)<=>C8H14R(214) 1.920000e+03 2.410 0.760 + +! Reaction index: Chemkin #3201; RMG #3201 +! Library reaction: restart +! Flux pairs: C7H9LR(212), C7H9LR(215); +! Estimated from node Backbone2_N-Sp-3R!H=1R!H_1R!H-inRing_3R!H-inRing_Ext-5R!H-R +C7H9LR(212)<=>C7H9LR(215) 4.825870e+53 -11.671 45.710 + +! Reaction index: Chemkin #3202; RMG #3202 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H6R(79), C8H13R2(216); C4H7R(60), C8H13R2(216); +! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C4H6R(79)+C4H7R(60)<=>C8H13R2(216) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #3203; RMG #3203 +! Library reaction: restart +! Flux pairs: C7H9LR(217), C7H9LR(215); +! Estimated from node Backbone2_N-Sp-3R!H=1R!H_1R!H-inRing_3R!H-inRing_Ext-5R!H-R +C7H9LR(217)<=>C7H9LR(215) 4.825870e+53 -11.671 43.097 + +! Reaction index: Chemkin #3204; RMG #3204 +! Library reaction: restart +! Flux pairs: C7H9LR(218), C7H9LR(212); +! Estimated from node Backbone4_N-Sp-5R!H-2R!H_Sp-2R!H-1R!H_N-3R!H-inRing_6R!H->C_Sp-3R!H-1R!H +C7H9LR(218)<=>C7H9LR(212) 5.228090e+01 2.741 14.849 + +! Reaction index: Chemkin #3205; RMG #3205 +! Library reaction: restart +! Flux pairs: C7H9LR(218), C7H9LR(217); +! Estimated from node Backbone2_N-Sp-3R!H=1R!H_N-1R!H-inRing_Sp-4R!H-3R!H_Ext-5R!H-R +C7H9LR(218)<=>C7H9LR(217) 2.322560e-20 8.934 1.317 + +! Reaction index: Chemkin #3206; RMG #3206 +! Library reaction: restart +! Flux pairs: H(82), C3H5L(86); C3H4L(219), C3H5L(86); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- +! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing +H(82)+C3H4L(219)<=>C3H5L(86) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #3207; RMG #3207 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+[CH2]C(C)CR(6)<=>C3H4L(219)+CC(C)CR(20) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3208; RMG #3208 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CR(10), CCCR(27); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+C[CH]CR(10)<=>C3H4L(219)+CCCR(27) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3209; RMG #3209 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+[CH2]C(C)L(4)<=>C3H4L(219)+CC(C)L(13) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3210; RMG #3210 +! Template reaction: H_Abstraction +! Flux pairs: C3H5L(86), C3H4L(219); C[CH]L(8), CCL(26); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]L(8)+C3H5L(86)<=>CCL(26)+C3H4L(219) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3211; RMG #3211 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+C6H12L(11)<=>C3H4L(219)+CC(C)CC(C)L(25) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3212; RMG #3212 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5L(86); C3H4L(219), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C[CH]CR(10)<=>C3H5R(12)+C3H5L(86) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #3213; RMG #3213 +! Template reaction: H_Abstraction +! Flux pairs: C3H5L(86), C3H4L(219); [CH2]R(14), CR(22); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]R(14)+C3H5L(86)<=>CR(22)+C3H4L(219) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3214; RMG #3214 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C[CH]CC(C)CR(5)<=>C3H5L(86)+C6H11R(17) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #3215; RMG #3215 +! Library reaction: restart +! Flux pairs: [CH2]CC(195), C3H6(18); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+[CH2]CC(195)<=>C3H5L(86)+C3H6(18) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3216; RMG #3216 +! Library reaction: restart +! Flux pairs: C[CH]C(94), C3H6(18); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(219)+C[CH]C(94)<=>C3H5L(86)+C3H6(18) 2.451710e+27 -4.376 6.166 + +! Reaction index: Chemkin #3217; RMG #3217 +! Library reaction: restart +! Flux pairs: C3H4L(219), C3H5L(86); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C3H4L(219)<=>C2H3L(19)+C3H5L(86) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #3218; RMG #3218 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C8H16L(15)<=>C3H5L(86)+C8H15L(21) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #3219; RMG #3219 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C[CH]CC(C)L(7)<=>C3H5L(86)+C5H9L(24) 1.225850e+27 -4.376 6.090 + +! Reaction index: Chemkin #3220; RMG #3220 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C[CH]CC(C)CR(5)<=>C3H5L(86)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3221; RMG #3221 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C[CH]CC(C)L(7)<=>C3H5L(86)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3222; RMG #3222 +! Library reaction: restart +! Flux pairs: C[CH]CR(10), C3H5R(58); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C[CH]CR(10)<=>C3H5L(86)+C3H5R(58) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3223; RMG #3223 +! Library reaction: restart +! Flux pairs: [CH2]C(C)L(4), C3H5L(86); C3H4L(219), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C3H4L(219)+[CH2]C(C)L(4)<=>C3H5L(59)+C3H5L(86) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #3224; RMG #3224 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C3H4L(219)+[CH2]C(C)CR(6)<=>C3H5L(86)+C4H7R(60) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #3225; RMG #3225 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C8H16L(15)<=>C3H5L(86)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3226; RMG #3226 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C3H4L(219)+C7H14R(9)<=>C3H5L(86)+C7H13R(62) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #3227; RMG #3227 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C3H4L(219)+C6H12L(11)<=>C3H5L(86)+C6H11L(63) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #3228; RMG #3228 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+C10H20R(64)<=>C3H4L(219)+RC10(2) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3229; RMG #3229 +! Template reaction: H_Abstraction +! Flux pairs: C3H5L(86), C3H4L(219); CH3(74), C(75); +! From training reaction 758 used for C/H3/Cd\H_Cd\H\Cs;C_methyl +! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +CH3(74)+C3H5L(86)<=>C(75)+C3H4L(219) 7.200000e-02 4.250 7.530 + +! Reaction index: Chemkin #3230; RMG #3230 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); C3H4L(219), C3H5L(86); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4L(219)+C5H9L(57)<=>C3H5L(86)+C5H8L(77) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #3231; RMG #3231 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(84), C5H8L(77); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C5H9L(84)<=>C3H5L(86)+C5H8L(77) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3232; RMG #3232 +! Template reaction: H_Abstraction +! Flux pairs: C3H5R(12), C3H5L(86); C3H4L(219), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C3H5R(12)<=>C3H4R(78)+C3H5L(86) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3233; RMG #3233 +! Template reaction: H_Abstraction +! Flux pairs: C3H5R(58), C3H5L(86); C3H4L(219), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4L(219)+C3H5R(58)<=>C3H4R(78)+C3H5L(86) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #3234; RMG #3234 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H6R(79); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C4H7R(60)<=>C3H5L(86)+C4H6R(79) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3235; RMG #3235 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(81), C4H6R(79); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H4L(219)+C4H7R(81)<=>C3H5L(86)+C4H6R(79) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #3236; RMG #3236 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+C7H15(85)<=>C3H4L(219)+CC(C)CC(C)C(87) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3237; RMG #3237 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+C9H17LR(67)<=>C3H4L(219)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3238; RMG #3238 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+C9H17LR(70)<=>C3H4L(219)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3239; RMG #3239 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+C[CH]CC(C)CR(5)<=>C3H4L(219)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3240; RMG #3240 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+C7H14R(9)<=>C3H4L(219)+CC(C)CC(C)CR(23) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3241; RMG #3241 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+C[CH]CC(C)L(7)<=>C3H4L(219)+CCCC(C)L(16) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3242; RMG #3242 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C3H4L(219), C3H5L(86); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4L(219)+RC10L(1)<=>C3H5L(86)+C9H17LR(65) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #3243; RMG #3243 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+C9H17LR(66)<=>C3H4L(219)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3244; RMG #3244 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+C9H17LR(68)<=>C3H4L(219)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3245; RMG #3245 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C3H4L(219), C3H5L(86); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4L(219)+RC10L(1)<=>C3H5L(86)+C9H17LR(69) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #3246; RMG #3246 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+C9H17LR(71)<=>C3H4L(219)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3247; RMG #3247 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C3H4L(219), C3H5L(86); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4L(219)+RC10L(1)<=>C3H5L(86)+C9H17LR(72) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #3248; RMG #3248 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+C9H17LR(73)<=>C3H4L(219)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3249; RMG #3249 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+C8H16L(15)<=>C3H4L(219)+C8H17L(49) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3250; RMG #3250 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(24), C5H8L(89); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C5H9L(24)<=>C3H5L(86)+C5H8L(89) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3251; RMG #3251 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(89); C3H4L(219), C3H5L(86); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4L(219)+C5H9L(57)<=>C3H5L(86)+C5H8L(89) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #3252; RMG #3252 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C3H4L(219), C3H5L(86); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4L(219)+C6H11R(56)<=>C3H5L(86)+C6H10R(90) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #3253; RMG #3253 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(98), C6H10R(90); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C6H11R(98)<=>C3H5L(86)+C6H10R(90) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3254; RMG #3254 +! Template reaction: H_Abstraction +! Flux pairs: CCC(95), C[CH]C(94); C3H4L(219), C3H5L(86); +! From training reaction 913 used for C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+CCC(95)<=>C3H5L(86)+C[CH]C(94) 2.920000e-02 4.340 16.600 + +! Reaction index: Chemkin #3255; RMG #3255 +! Template reaction: H_Abstraction +! Flux pairs: C3H6(18), C3H5(102); C3H4L(219), C3H5L(86); +! From training reaction 3027 used for C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4L(219)+C3H6(18)<=>C3H5L(86)+C3H5(102) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #3256; RMG #3256 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H10L(103); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C6H11L(63)<=>C3H5L(86)+C6H10L(103) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3257; RMG #3257 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H4L(219)+C6H11L(107)<=>C3H5L(86)+C6H10L(103) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #3258; RMG #3258 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C7H13R(62)<=>C3H5L(86)+C7H12R(108) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3259; RMG #3259 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H4L(219)+C7H13R(120)<=>C3H5L(86)+C7H12R(108) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #3260; RMG #3260 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4L(219)+C6H10(110)<=>C3H5L(86)+C6H9(113) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #3261; RMG #3261 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C6H10(116)<=>C3H5L(86)+C6H9(114) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3262; RMG #3262 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C3H4L(219), C3H5L(86); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4L(219)+C8H15L(61)<=>C3H5L(86)+C8H14L(112) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #3263; RMG #3263 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C6H9(114)<=>C3H5L(86)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3264; RMG #3264 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C3H4L(219), C3H5L(86); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C6H8(118)<=>C3H5L(86)+C6H7(123) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #3265; RMG #3265 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C3H4L(219), C3H5L(86); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C6H8(125)<=>C3H5L(86)+C6H7(123) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #3266; RMG #3266 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C6H9(114)<=>C3H5L(86)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3267; RMG #3267 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(219)+C6H9(160)<=>C3H5L(86)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3268; RMG #3268 +! Template reaction: H_Abstraction +! Flux pairs: C3H5L(59), C3H5L(86); C3H4L(219), C3H4L(147); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4L(219)+C3H5L(59)<=>C3H4L(147)+C3H5L(86) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #3269; RMG #3269 +! Template reaction: H_Abstraction +! Flux pairs: C4H7(156), C4H8(157); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.4142135623730951 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H5L(86)+C4H7(156)<=>C3H4L(219)+C4H8(157) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #3270; RMG #3270 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C6H10(116)<=>C3H5L(86)+C6H9(160) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3271; RMG #3271 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C3H4L(219), C3H5L(86); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4L(219)+C6H11L(107)<=>C3H5L(86)+C6H10L(169) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #3272; RMG #3272 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H10R(171); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C6H11R(17)<=>C3H5L(86)+C6H10R(171) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3273; RMG #3273 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(171); C3H4L(219), C3H5L(86); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4L(219)+C6H11R(56)<=>C3H5L(86)+C6H10R(171) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #3274; RMG #3274 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(173), C5H7(174); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4L(219)+C5H8(173)<=>C3H5L(86)+C5H7(174) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #3275; RMG #3275 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(180), C5H7(178); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(219)+C5H8(180)<=>C3H5L(86)+C5H7(178) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #3276; RMG #3276 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C10H15(183)<=>C3H5L(86)+C10H14(184) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #3277; RMG #3277 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(219)+C5H7(178)<=>C3H5L(86)+C5H6(187) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3278; RMG #3278 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); C3H4L(219), C3H5L(86); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C5H6(187)<=>C3H5L(86)+C5H5(189) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #3279; RMG #3279 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C8H13(191)<=>C3H5L(86)+C8H12(194) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #3280; RMG #3280 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]CC(195), CCC(95); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+[CH2]CC(195)<=>C3H4L(219)+CCC(95) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3281; RMG #3281 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C3H4L(219), C3H5L(86); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4L(219)+C7H13R(120)<=>C3H5L(86)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #3282; RMG #3282 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C10H13(202)<=>C3H5L(86)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3283; RMG #3283 +! Template reaction: H_Abstraction +! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C3H4L(219), C3H5L(86); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+CC(L)CC(C)L(35)<=>C3H5L(86)+C5H9L2(203) 3.380000e-02 4.340 16.600 + +! Reaction index: Chemkin #3284; RMG #3284 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+C10H20L(76)<=>C3H4L(219)+LC10(3) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3285; RMG #3285 +! Template reaction: H_Abstraction +! Flux pairs: C3H5L(86), C3H4L(219); H(82), [H][H](83); +! From training reaction 756 used for C/H3/Cd\H_Cd\H\Cs;H_rad +! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +H(82)+C3H5L(86)<=>[H][H](83)+C3H4L(219) 3.360000e+03 3.140 4.290 + +! Reaction index: Chemkin #3286; RMG #3286 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H4L(219), C7H9LR(218); C4H5R(220), C7H9LR(218); +! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H4L(219)+C4H5R(220)<=>C7H9LR(218) 2.490000e+04 2.410 8.810 + +! Reaction index: Chemkin #3287; RMG #3287 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C7H9(221), C2H4(196); C7H9(221), C5H5(189); +! Matched reaction 13 C7H9-5 <=> C2H4 + C5H5 in R_Addition_MultipleBond/training +! This reaction matched rate rule [Cds-HH_Cds-HH;CsJ-CdCdH] +! family: R_Addition_MultipleBond +C7H9(221)<=>C2H4(196)+C5H5(189) 1.870000e+11 0.680 13.900 + +! Reaction index: Chemkin #3288; RMG #3288 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H5R(220), C9H12R(222); C5H7(174), C9H12R(222); +! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C4H5R(220)+C5H7(174)<=>C9H12R(222) 4.980000e+04 2.410 8.810 + +! Reaction index: Chemkin #3289; RMG #3289 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H8(157), C9H15(223); C5H7(174), C9H15(223); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C4H8(157)+C5H7(174)<=>C9H15(223) 5.580000e+04 2.410 11.220 + +! Reaction index: Chemkin #3290; RMG #3290 +! Library reaction: restart +! Flux pairs: H(82), C4H7R(60); C4H6R(224), C4H7R(60); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- +! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing +! Multiplied by reaction path degeneracy 2.0 +H(82)+C4H6R(224)<=>C4H7R(60) 3.251960e+13 0.255 0.000 + +! Reaction index: Chemkin #3291; RMG #3291 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H6R(224); C[CH]CR(10), CCCR(27); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]CR(10)+C4H7R(60)<=>CCCR(27)+C4H6R(224) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #3292; RMG #3292 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H6R(224); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C4H7R(60)<=>CC(C)L(13)+C4H6R(224) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #3293; RMG #3293 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H6R(224); C[CH]L(8), CCL(26); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]L(8)+C4H7R(60)<=>CCL(26)+C4H6R(224) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #3294; RMG #3294 +! Library reaction: restart +! Flux pairs: C4H6R(224), C4H7R(60); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]CR(10)+C4H6R(224)<=>C3H5R(12)+C4H7R(60) 2.451710e+27 -4.376 6.263 + +! Reaction index: Chemkin #3295; RMG #3295 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H6R(224); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]R(14)+C4H7R(60)<=>CR(22)+C4H6R(224) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #3296; RMG #3296 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C[CH]CC(C)CR(5)<=>C4H7R(60)+C6H11R(17) 2.451710e+27 -4.376 6.090 + +! Reaction index: Chemkin #3297; RMG #3297 +! Library reaction: restart +! Flux pairs: C4H6R(224), C4H7R(60); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +[CH2]CC(195)+C4H6R(224)<=>C3H6(18)+C4H7R(60) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3298; RMG #3298 +! Library reaction: restart +! Flux pairs: C4H6R(224), C4H7R(60); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C[CH]C(94)+C4H6R(224)<=>C3H6(18)+C4H7R(60) 4.903420e+27 -4.376 6.166 + +! Reaction index: Chemkin #3299; RMG #3299 +! Library reaction: restart +! Flux pairs: C4H6R(224), C4H7R(60); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]L(8)+C4H6R(224)<=>C2H3L(19)+C4H7R(60) 2.451710e+27 -4.376 6.263 + +! Reaction index: Chemkin #3300; RMG #3300 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C8H16L(15)<=>C4H7R(60)+C8H15L(21) 2.451710e+27 -4.376 6.090 + +! Reaction index: Chemkin #3301; RMG #3301 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C[CH]CC(C)L(7)<=>C4H7R(60)+C5H9L(24) 2.451710e+27 -4.376 6.090 + +! Reaction index: Chemkin #3302; RMG #3302 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(224)+C[CH]CC(C)CR(5)<=>C4H7R(60)+C6H11R(56) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3303; RMG #3303 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(224)+C[CH]CC(C)L(7)<=>C4H7R(60)+C5H9L(57) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3304; RMG #3304 +! Library reaction: restart +! Flux pairs: C4H6R(224), C4H7R(60); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C[CH]CR(10)+C4H6R(224)<=>C3H5R(58)+C4H7R(60) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3305; RMG #3305 +! Library reaction: restart +! Flux pairs: C4H6R(224), C4H7R(60); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C4H6R(224)<=>C3H5L(59)+C4H7R(60) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #3306; RMG #3306 +! Library reaction: restart +! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C4H6R(224)+[CH2]C(C)CR(6)<=>C4H7R(60)+C4H7R(60) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #3307; RMG #3307 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C4H6R(224)+C7H14R(9)<=>C4H7R(60)+C7H13R(62) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #3308; RMG #3308 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C4H6R(224)+C6H12L(11)<=>C4H7R(60)+C6H11L(63) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #3309; RMG #3309 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C4H7R(60), C4H6R(224); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C10H20R(64)<=>C4H6R(224)+RC10(2) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #3310; RMG #3310 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C4H7R(60), C4H6R(224); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C[CH]CC(C)L(7)<=>C4H6R(224)+CCCC(C)L(16) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #3311; RMG #3311 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(224)+C8H16L(15)<=>C4H7R(60)+C8H15L(61) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3312; RMG #3312 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C4H7R(60), C4H6R(224); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C9H17LR(65)<=>C4H6R(224)+RC10L(1) 4.320000e-05 4.520 1.460 + +! Reaction index: Chemkin #3313; RMG #3313 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C4H7R(60), C4H6R(224); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+[CH2]C(C)CR(6)<=>C4H6R(224)+CC(C)CR(20) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #3314; RMG #3314 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C4H7R(60), C4H6R(224); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C[CH]CC(C)CR(5)<=>C4H6R(224)+CCCC(C)CR(32) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #3315; RMG #3315 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C4H7R(60), C4H6R(224); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C7H14R(9)<=>C4H6R(224)+CC(C)CC(C)CR(23) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #3316; RMG #3316 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C4H7R(60), C4H6R(224); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C6H12L(11)<=>C4H6R(224)+CC(C)CC(C)L(25) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #3317; RMG #3317 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C4H7R(60), C4H6R(224); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C8H16L(15)<=>C4H6R(224)+C8H17L(49) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #3318; RMG #3318 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C4H7R(60), C4H6R(224); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C9H17LR(66)<=>C4H6R(224)+RC10L(1) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #3319; RMG #3319 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C4H7R(60), C4H6R(224); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C9H17LR(67)<=>C4H6R(224)+RC10L(1) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #3320; RMG #3320 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C4H7R(60), C4H6R(224); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C9H17LR(68)<=>C4H6R(224)+RC10L(1) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #3321; RMG #3321 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C4H7R(60), C4H6R(224); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C9H17LR(69)<=>C4H6R(224)+RC10L(1) 4.320000e-05 4.520 1.460 + +! Reaction index: Chemkin #3322; RMG #3322 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C4H7R(60), C4H6R(224); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C9H17LR(70)<=>C4H6R(224)+RC10L(1) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #3323; RMG #3323 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C4H7R(60), C4H6R(224); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C9H17LR(71)<=>C4H6R(224)+RC10L(1) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #3324; RMG #3324 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C4H7R(60), C4H6R(224); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C9H17LR(72)<=>C4H6R(224)+RC10L(1) 4.320000e-05 4.520 1.460 + +! Reaction index: Chemkin #3325; RMG #3325 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C4H7R(60), C4H6R(224); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C9H17LR(73)<=>C4H6R(224)+RC10L(1) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #3326; RMG #3326 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H6R(224); CH3(74), C(75); +! From training reaction 760 used for C/H3/Cd\Cs_Cd\H2;C_methyl +! Exact match found for rate rule [C/H3/Cd\Cs_Cd\H2;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +CH3(74)+C4H7R(60)<=>C(75)+C4H6R(224) 5.940000e-02 4.260 7.550 + +! Reaction index: Chemkin #3327; RMG #3327 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C4H7R(60), C4H6R(224); +! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C10H20L(76)<=>C4H6R(224)+LC10(3) 1.200370e-04 4.665 5.150 + +! Reaction index: Chemkin #3328; RMG #3328 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(224)+C5H9L(57)<=>C4H7R(60)+C5H8L(77) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #3329; RMG #3329 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(84), C5H8L(77); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C5H9L(84)<=>C4H7R(60)+C5H8L(77) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #3330; RMG #3330 +! Template reaction: H_Abstraction +! Flux pairs: C4H6R(224), C4H7R(60); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H5R(12)+C4H6R(224)<=>C3H4R(78)+C4H7R(60) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #3331; RMG #3331 +! Template reaction: H_Abstraction +! Flux pairs: C4H6R(224), C4H7R(60); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H5R(58)+C4H6R(224)<=>C3H4R(78)+C4H7R(60) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #3332; RMG #3332 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H7R(60); C4H6R(224), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C4H7R(60)<=>C4H6R(79)+C4H7R(60) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #3333; RMG #3333 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(81), C4H7R(60); C4H6R(224), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +C4H6R(224)+C4H7R(81)<=>C4H6R(79)+C4H7R(60) 1.740000e-02 4.340 13.600 + +! Reaction index: Chemkin #3334; RMG #3334 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H6R(224); H(82), [H][H](83); +! From training reaction 759 used for C/H3/Cd\Cs_Cd\H2;H_rad +! Exact match found for rate rule [C/H3/Cd\Cs_Cd\H2;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +H(82)+C4H7R(60)<=>[H][H](83)+C4H6R(224) 2.514000e+03 3.180 4.370 + +! Reaction index: Chemkin #3335; RMG #3335 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C4H7R(60), C4H6R(224); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C7H15(85)<=>C4H6R(224)+CC(C)CC(C)C(87) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #3336; RMG #3336 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(24), C5H8L(89); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C5H9L(24)<=>C4H7R(60)+C5H8L(89) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #3337; RMG #3337 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(89); C4H6R(224), C4H7R(60); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H6R(224)+C5H9L(57)<=>C4H7R(60)+C5H8L(89) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #3338; RMG #3338 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(224)+C6H11R(56)<=>C4H7R(60)+C6H10R(90) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #3339; RMG #3339 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(98), C6H10R(90); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C6H11R(98)<=>C4H7R(60)+C6H10R(90) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #3340; RMG #3340 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H6R(224); C[CH]C(94), CCC(95); +! Estimated using template [C/H3/Cd;C_rad/H/Cs\H3/Cs\H3] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]C(94)+C4H7R(60)<=>CCC(95)+C4H6R(224) 1.008000e-03 4.340 4.700 + +! Reaction index: Chemkin #3341; RMG #3341 +! Template reaction: H_Abstraction +! Flux pairs: C4H6R(224), C4H7R(60); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H6(18)+C4H6R(224)<=>C3H5(102)+C4H7R(60) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #3342; RMG #3342 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(63), C6H10L(103); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C6H11L(63)<=>C4H7R(60)+C6H10L(103) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #3343; RMG #3343 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(103); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +C4H6R(224)+C6H11L(107)<=>C4H7R(60)+C6H10L(103) 1.740000e-02 4.340 13.600 + +! Reaction index: Chemkin #3344; RMG #3344 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(62), C7H12R(108); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C7H13R(62)<=>C4H7R(60)+C7H12R(108) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #3345; RMG #3345 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(108); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +C4H6R(224)+C7H13R(120)<=>C4H7R(60)+C7H12R(108) 1.740000e-02 4.340 13.600 + +! Reaction index: Chemkin #3346; RMG #3346 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(224)+C8H15L(61)<=>C4H7R(60)+C8H14L(112) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #3347; RMG #3347 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H6R(224)+C6H10(110)<=>C4H7R(60)+C6H9(113) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #3348; RMG #3348 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(114); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C6H10(116)<=>C4H7R(60)+C6H9(114) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #3349; RMG #3349 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(224)+C6H9(114)<=>C4H7R(60)+C6H8(118) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3350; RMG #3350 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(123); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C6H8(118)<=>C4H7R(60)+C6H7(123) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #3351; RMG #3351 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H7(123); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C6H8(125)<=>C4H7R(60)+C6H7(123) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #3352; RMG #3352 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(224)+C6H9(114)<=>C4H7R(60)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3353; RMG #3353 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C4H6R(224)+C6H9(160)<=>C4H7R(60)+C6H8(125) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #3354; RMG #3354 +! Template reaction: H_Abstraction +! Flux pairs: C4H6R(224), C4H7R(60); C3H5L(59), C3H4L(147); +! Estimated using average of templates [C/H3/Cd;C_rad/H2/Cd] + [C/H3/Cd\Cs_Cd\H2;C_pri_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H5L(59)+C4H6R(224)<=>C3H4L(147)+C4H7R(60) 6.617840e-04 4.615 8.960 + +! Reaction index: Chemkin #3355; RMG #3355 +! Template reaction: H_Abstraction +! Flux pairs: C4H7(156), C4H8(157); C4H7R(60), C4H6R(224); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.4142135623730951 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(60)+C4H7(156)<=>C4H6R(224)+C4H8(157) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #3356; RMG #3356 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(116), C6H9(160); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C6H10(116)<=>C4H7R(60)+C6H9(160) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #3357; RMG #3357 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(224)+C6H11L(107)<=>C4H7R(60)+C6H10L(169) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #3358; RMG #3358 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(17), C6H10R(171); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C6H11R(17)<=>C4H7R(60)+C6H10R(171) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #3359; RMG #3359 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(171); C4H6R(224), C4H7R(60); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H6R(224)+C6H11R(56)<=>C4H7R(60)+C6H10R(171) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #3360; RMG #3360 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(173), C5H7(174); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H6R(224)+C5H8(173)<=>C4H7R(60)+C5H7(174) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #3361; RMG #3361 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(180), C5H7(178); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 8.0 +! family: H_Abstraction +C4H6R(224)+C5H8(180)<=>C4H7R(60)+C5H7(178) 3.616000e-02 4.340 11.200 + +! Reaction index: Chemkin #3362; RMG #3362 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C10H15(183)<=>C4H7R(60)+C10H14(184) 2.451710e+27 -4.376 8.429 + +! Reaction index: Chemkin #3363; RMG #3363 +! Library reaction: restart +! Flux pairs: C5H7(178), C5H6(187); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 8.0 +C4H6R(224)+C5H7(178)<=>C4H7R(60)+C5H6(187) 6.191740e+12 0.025 0.000 + +! Reaction index: Chemkin #3364; RMG #3364 +! Template reaction: H_Abstraction +! Flux pairs: C5H6(187), C5H5(189); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C5H6(187)<=>C4H7R(60)+C5H5(189) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #3365; RMG #3365 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C8H13(191)<=>C4H7R(60)+C8H12(194) 2.451710e+27 -4.376 6.263 + +! Reaction index: Chemkin #3366; RMG #3366 +! Template reaction: H_Abstraction +! Flux pairs: C4H7R(60), C4H6R(224); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]CC(195)+C4H7R(60)<=>CCC(95)+C4H6R(224) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #3367; RMG #3367 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(224)+C7H13R(120)<=>C4H7R(60)+C7H12R(199) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #3368; RMG #3368 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(224)+C10H13(202)<=>C4H7R(60)+C10H12(201) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3369; RMG #3369 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C10H14(179)<=>C4H7R(60)+C10H13(202) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #3370; RMG #3370 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C4H7R(60), C4H6R(224); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+C5H9L2(203)<=>C4H6R(224)+CC(L)CC(C)L(35) 4.320000e-05 4.520 1.460 + +! Reaction index: Chemkin #3371; RMG #3371 +! Template reaction: H_Abstraction +! Flux pairs: C4H6R(224), C4H7R(60); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H5L(86)+C4H6R(224)<=>C3H4L(219)+C4H7R(60) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #3372; RMG #3372 +! Library reaction: restart +! Flux pairs: C4H6R(224), RC[C]1CC1(225); +! Estimated from node Backbone0 +C4H6R(224)<=>RC[C]1CC1(225) 1.014560e+05 2.304 29.598 + +! Reaction index: Chemkin #3373; RMG #3373 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7(174), C11H15(226); C6H8(118), C11H15(226); +! From training reaction 50 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH +! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C5H7(174)+C6H8(118)<=>C11H15(226) 2.880000e+01 2.740 3.300 + +! Reaction index: Chemkin #3374; RMG #3374 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H7R(81), C9H14R(227); C5H7(174), C9H14R(227); +! From training reaction 457 used for Cds-CsH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-CsH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C4H7R(81)+C5H7(174)<=>C9H14R(227) 2.680000e+04 2.410 12.700 + +! Reaction index: Chemkin #3375; RMG #3375 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H6R(224), C9H13LR(228); C5H7L(104), C9H13LR(228); +! Estimated using template [Cds-HH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C4H6R(224)+C5H7L(104)<=>C9H13LR(228) 5.640000e+04 2.410 8.390 + +! Reaction index: Chemkin #3376; RMG #3376 +! Library reaction: restart +! Flux pairs: C5H7(174), C11H16(229); C6H9(160), C11H16(229); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C6H9(160)<=>C11H16(229) 7.071720e+16 -1.003 0.000 + +! Reaction index: Chemkin #3377; RMG #3377 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C2H3L(19), C7H10L(230); C5H7(174), C7H10L(230); +! From training reaction 6 used for Cds-HH_Cds-CsH;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsH;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C2H3L(19)+C5H7(174)<=>C7H10L(230) 1.310000e+03 2.620 10.900 + +! Reaction index: Chemkin #3378; RMG #3378 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H6(18), C9H15(231); C6H9(160), C9H15(231); +! From training reaction 242 used for Cds-HH_Cds-Cs\H3/H;CsJ-CdCsH +! Exact match found for rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-CdCsH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C3H6(18)+C6H9(160)<=>C9H15(231) 7.720000e+03 2.410 11.370 + +! Reaction index: Chemkin #3379; RMG #3379 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H7R(60), C10H16R(232); C6H9(161), C10H16R(232); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C4H7R(60)+C6H9(161)<=>C10H16R(232) 5.580000e+04 2.410 11.220 + +! Reaction index: Chemkin #3380; RMG #3380 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7(174), C11H15(233); C6H8(125), C11H15(233); +! From training reaction 50 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH +! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C5H7(174)+C6H8(125)<=>C11H15(233) 2.880000e+01 2.740 3.300 + +! Reaction index: Chemkin #3381; RMG #3381 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7(174), C11H15(234); C6H8(125), C11H15(234); +! From training reaction 493 used for Cds-CsH_Cds-CdCs;CsJ-CdHH +! Exact match found for rate rule [Cds-CsH_Cds-CdCs;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C5H7(174)+C6H8(125)<=>C11H15(234) 2.720000e+04 2.410 9.870 + +! Reaction index: Chemkin #3382; RMG #3382 +! Library reaction: restart +! Flux pairs: H(82), C11H16(229); C11H15(234), C11H16(229); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H +H(82)+C11H15(234)<=>C11H16(229) 1.576430e+13 -0.222 0.000 + +! Reaction index: Chemkin #3383; RMG #3383 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C11H15(234)<=>C3H5R(12)+C11H16(229) 1.225850e+27 -4.376 7.628 + +! Reaction index: Chemkin #3384; RMG #3384 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C11H15(234)<=>C6H11R(17)+C11H16(229) 1.225850e+27 -4.376 7.433 + +! Reaction index: Chemkin #3385; RMG #3385 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C11H15(234)<=>C3H6(18)+C11H16(229) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3386; RMG #3386 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C11H15(234)<=>C3H6(18)+C11H16(229) 2.451710e+27 -4.376 7.519 + +! Reaction index: Chemkin #3387; RMG #3387 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C11H15(234)<=>C2H3L(19)+C11H16(229) 1.225850e+27 -4.376 7.628 + +! Reaction index: Chemkin #3388; RMG #3388 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C11H15(234)<=>C8H15L(21)+C11H16(229) 1.225850e+27 -4.376 7.433 + +! Reaction index: Chemkin #3389; RMG #3389 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C11H15(234)<=>C5H9L(24)+C11H16(229) 1.225850e+27 -4.376 7.433 + +! Reaction index: Chemkin #3390; RMG #3390 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C11H15(234)<=>C6H11R(56)+C11H16(229) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3391; RMG #3391 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C11H15(234)<=>C5H9L(57)+C11H16(229) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3392; RMG #3392 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C11H15(234)<=>C3H5R(58)+C11H16(229) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3393; RMG #3393 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C11H15(234)<=>C3H5L(59)+C11H16(229) 5.258140e+13 -0.550 0.110 + +! Reaction index: Chemkin #3394; RMG #3394 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C11H15(234)<=>C4H7R(60)+C11H16(229) 5.258140e+13 -0.550 0.110 + +! Reaction index: Chemkin #3395; RMG #3395 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C11H15(234)<=>C8H15L(61)+C11H16(229) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3396; RMG #3396 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C11H15(234)<=>C7H13R(62)+C11H16(229) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3397; RMG #3397 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C11H15(234)<=>C6H11L(63)+C11H16(229) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3398; RMG #3398 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C11H15(234)<=>C6H8(118)+C11H16(229) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3399; RMG #3399 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C5H9L(57), C5H8L(77); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C11H15(234)<=>C5H8L(77)+C11H16(229) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #3400; RMG #3400 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C5H8L(77), C5H9L(84); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(77)+C11H16(229)<=>C5H9L(84)+C11H15(234) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3401; RMG #3401 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C3H4R(78), C3H5R(12); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C11H16(229)<=>C3H5R(12)+C11H15(234) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3402; RMG #3402 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C11H16(229)<=>C3H5R(58)+C11H15(234) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3403; RMG #3403 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C4H6R(79), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C11H16(229)<=>C4H7R(60)+C11H15(234) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3404; RMG #3404 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C11H16(229)<=>C4H7R(81)+C11H15(234) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3405; RMG #3405 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C11H15(234)<=>C3H5(102)+C11H16(229) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #3406; RMG #3406 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C11H15(234)<=>C6H9(113)+C11H16(229) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #3407; RMG #3407 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C11H15(234)<=>C6H9(114)+C11H16(229) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3408; RMG #3408 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C11H15(234)<=>C6H8(125)+C11H16(229) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3409; RMG #3409 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C11H15(234)<=>C6H8(125)+C11H16(229) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3410; RMG #3410 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C11H16(229)<=>C3H5L(59)+C11H15(234) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #3411; RMG #3411 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C11H15(234)<=>C6H9(160)+C11H16(229) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3412; RMG #3412 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C11H15(234)<=>C5H7(174)+C11H16(229) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #3413; RMG #3413 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C11H15(234)<=>C5H7(178)+C11H16(229) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #3414; RMG #3414 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C10H15(183), C10H14(184); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H15(183)+C11H15(234)<=>C10H14(184)+C11H16(229) 1.225850e+27 -4.376 10.059 + +! Reaction index: Chemkin #3415; RMG #3415 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C11H15(234)<=>C5H6(187)+C11H16(229) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3416; RMG #3416 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C11H15(234)<=>C8H12(194)+C11H16(229) 1.225850e+27 -4.376 7.628 + +! Reaction index: Chemkin #3417; RMG #3417 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C10H13(202), C10H12(201); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H13(202)+C11H15(234)<=>C10H12(201)+C11H16(229) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3418; RMG #3418 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C5H8L(89), C5H9L(24); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C11H16(229)<=>C5H9L(24)+C11H15(234) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3419; RMG #3419 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C5H8L(89), C5H9L(57); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C11H16(229)<=>C5H9L(57)+C11H15(234) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3420; RMG #3420 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C6H11R(56), C6H10R(90); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C11H15(234)<=>C6H10R(90)+C11H16(229) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #3421; RMG #3421 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C6H10R(90), C6H11R(98); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(90)+C11H16(229)<=>C6H11R(98)+C11H15(234) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3422; RMG #3422 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C6H10L(103), C6H11L(63); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C11H16(229)<=>C6H11L(63)+C11H15(234) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3423; RMG #3423 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C6H10L(103), C6H11L(107); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C11H16(229)<=>C6H11L(107)+C11H15(234) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3424; RMG #3424 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C7H12R(108), C7H13R(62); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H12R(108)+C11H16(229)<=>C7H13R(62)+C11H15(234) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3425; RMG #3425 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C7H12R(108), C7H13R(120); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H12R(108)+C11H16(229)<=>C7H13R(120)+C11H15(234) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3426; RMG #3426 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C6H11L(107), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C11H15(234)<=>C6H10L(169)+C11H16(229) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #3427; RMG #3427 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C7H13R(120), C7H12R(199); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C11H15(234)<=>C7H12R(199)+C11H16(229) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #3428; RMG #3428 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C11H16(229)<=>C4H7R(60)+C11H15(234) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #3429; RMG #3429 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); RC10L(1), C9H17LR(65); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C11H15(234)<=>C9H17LR(65)+C11H16(229) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #3430; RMG #3430 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); RC10L(1), C9H17LR(69); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C11H15(234)<=>C9H17LR(69)+C11H16(229) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #3431; RMG #3431 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C9H17LR(66), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(66)+C11H16(229)<=>RC10L(1)+C11H15(234) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #3432; RMG #3432 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C9H17LR(68), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(68)+C11H16(229)<=>RC10L(1)+C11H15(234) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #3433; RMG #3433 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); RC10L(1), C9H17LR(72); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C11H15(234)<=>C9H17LR(72)+C11H16(229) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #3434; RMG #3434 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C9H17LR(73), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(73)+C11H16(229)<=>RC10L(1)+C11H15(234) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #3435; RMG #3435 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C9H17LR(71), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(71)+C11H16(229)<=>RC10L(1)+C11H15(234) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #3436; RMG #3436 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C9H17LR(67), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(67)+C11H16(229)<=>RC10L(1)+C11H15(234) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #3437; RMG #3437 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C9H17LR(70), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(70)+C11H16(229)<=>RC10L(1)+C11H15(234) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #3438; RMG #3438 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C11H16(229)<=>CC(C)L(13)+C11H15(234) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #3439; RMG #3439 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C11H16(229)<=>CCCC(C)L(16)+C11H15(234) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #3440; RMG #3440 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C6H10R(171), C6H11R(17); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C11H16(229)<=>C6H11R(17)+C11H15(234) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #3441; RMG #3441 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C11H16(229)<=>CC(C)CR(20)+C11H15(234) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #3442; RMG #3442 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C11H16(229)<=>CR(22)+C11H15(234) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #3443; RMG #3443 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H14R(9)+C11H16(229)<=>CC(C)CC(C)CR(23)+C11H15(234) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #3444; RMG #3444 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H12L(11)+C11H16(229)<=>CC(C)CC(C)L(25)+C11H15(234) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #3445; RMG #3445 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C11H16(229)<=>CCL(26)+C11H15(234) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #3446; RMG #3446 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C11H16(229)<=>CCCR(27)+C11H15(234) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #3447; RMG #3447 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)CR(5)+C11H16(229)<=>CCCC(C)CR(32)+C11H15(234) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #3448; RMG #3448 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C6H10R(171), C6H11R(56); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C11H16(229)<=>C6H11R(56)+C11H15(234) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3449; RMG #3449 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C11H15(234)<=>CH3(74)+C11H16(229) 4.240000e-02 4.340 24.900 + +! Reaction index: Chemkin #3450; RMG #3450 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C11H15(234)<=>C[CH]C(94)+C11H16(229) 1.476000e-02 4.340 18.000 + +! Reaction index: Chemkin #3451; RMG #3451 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C11H16(229)<=>CCC(95)+C11H15(234) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #3452; RMG #3452 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C6H8(118), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C11H15(234)<=>C6H7(123)+C11H16(229) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #3453; RMG #3453 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C6H8(125), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C11H15(234)<=>C6H7(123)+C11H16(229) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #3454; RMG #3454 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C11H16(229)<=>C4H8(157)+C11H15(234) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #3455; RMG #3455 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7(174), C10H15(235); C5H8(173), C10H15(235); +! From training reaction 475 used for Cds-CsH_Cds-CdH;CsJ-CdHH +! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C5H7(174)+C5H8(173)<=>C10H15(235) 2.380000e+04 2.410 10.290 + +! Reaction index: Chemkin #3456; RMG #3456 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H5L(91), C8H11LR(236); C4H6R(224), C8H11LR(236); +! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C4H5L(91)+C4H6R(224)<=>C8H11LR(236) 4.980000e+04 2.410 8.810 + +! Reaction index: Chemkin #3457; RMG #3457 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5L(59), C7H12L(237); C4H7(156), C7H12L(237); +! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C3H5L(59)+C4H7(156)<=>C7H12L(237) 5.580000e+04 2.410 11.220 + +! Reaction index: Chemkin #3458; RMG #3458 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H8(173), C11H17(238); C6H9(113), C11H17(238); +! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C5H8(173)+C6H9(113)<=>C11H17(238) 2.490000e+04 2.410 8.810 + +! Reaction index: Chemkin #3459; RMG #3459 +! Template reaction: R_Recombination +! Flux pairs: H(82), C6H8(118); C6H7(239), C6H8(118); +! Matched reaction 15 C6H7-3 + H <=> C6H8-4 in R_Recombination/training +! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- +! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing_Ext-4R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H] +! family: R_Recombination +H(82)+C6H7(239)<=>C6H8(118) 3.156000e+12 0.461 -0.001 + +! Reaction index: Chemkin #3460; RMG #3460 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H8(118)<=>CC(C)CR(20)+C6H7(239) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3461; RMG #3461 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C[CH]CR(10), CCCR(27); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]CR(10)+C6H8(118)<=>CCCR(27)+C6H7(239) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3462; RMG #3462 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C[CH]CC(C)CR(5)<=>C6H7(239)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3463; RMG #3463 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H8(118)<=>CC(C)L(13)+C6H7(239) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3464; RMG #3464 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C7H14R(9)<=>C6H7(239)+CC(C)CC(C)CR(23) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3465; RMG #3465 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H8(118)<=>CCCC(C)L(16)+C6H7(239) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3466; RMG #3466 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C[CH]L(8), CCL(26); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]L(8)+C6H8(118)<=>CCL(26)+C6H7(239) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3467; RMG #3467 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C6H12L(11)<=>C6H7(239)+CC(C)CC(C)L(25) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3468; RMG #3468 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(118); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H7(239)<=>C3H5R(12)+C6H8(118) 1.225850e+27 -4.376 8.206 + +! Reaction index: Chemkin #3469; RMG #3469 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); [CH2]R(14), CR(22); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]R(14)+C6H8(118)<=>CR(22)+C6H7(239) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3470; RMG #3470 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C[CH]CC(C)CR(5)<=>C6H8(118)+C6H11R(17) 1.225850e+27 -4.376 8.002 + +! Reaction index: Chemkin #3471; RMG #3471 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(118); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H7(239)<=>C3H6(18)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3472; RMG #3472 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(118); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C6H7(239)<=>C3H6(18)+C6H8(118) 2.451710e+27 -4.376 8.092 + +! Reaction index: Chemkin #3473; RMG #3473 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(118); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H7(239)<=>C2H3L(19)+C6H8(118) 1.225850e+27 -4.376 8.206 + +! Reaction index: Chemkin #3474; RMG #3474 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C8H16L(15)<=>C6H8(118)+C8H15L(21) 1.225850e+27 -4.376 8.002 + +! Reaction index: Chemkin #3475; RMG #3475 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(118); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H7(239)<=>C5H9L(24)+C6H8(118) 1.225850e+27 -4.376 8.002 + +! Reaction index: Chemkin #3476; RMG #3476 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C[CH]CC(C)CR(5)<=>C6H8(118)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3477; RMG #3477 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(118); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H7(239)<=>C5H9L(57)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3478; RMG #3478 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(118); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H7(239)<=>C3H5R(58)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3479; RMG #3479 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(118); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C6H7(239)<=>C3H5L(59)+C6H8(118) 7.830000e+11 0.000 0.211 + +! Reaction index: Chemkin #3480; RMG #3480 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(118); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+C6H7(239)<=>C4H7R(60)+C6H8(118) 7.830000e+11 0.000 0.211 + +! Reaction index: Chemkin #3481; RMG #3481 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C8H16L(15)<=>C6H8(118)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3482; RMG #3482 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H7(239)+C7H14R(9)<=>C6H8(118)+C7H13R(62) 7.830000e+11 0.000 0.172 + +! Reaction index: Chemkin #3483; RMG #3483 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H7(239)+C6H12L(11)<=>C6H8(118)+C6H11L(63) 7.830000e+11 0.000 0.172 + +! Reaction index: Chemkin #3484; RMG #3484 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/Cs3] for rate rule [2_methyl_CPD;C_rad/Cs3] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(65)<=>C6H7(239)+RC10L(1) 2.568460e-04 4.418 3.856 + +! Reaction index: Chemkin #3485; RMG #3485 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(66)<=>C6H7(239)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3486; RMG #3486 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(67)<=>C6H7(239)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3487; RMG #3487 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(68)<=>C6H7(239)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3488; RMG #3488 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/Cs3] for rate rule [2_methyl_CPD;C_rad/Cs3] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(69)<=>C6H7(239)+RC10L(1) 2.568460e-04 4.418 3.856 + +! Reaction index: Chemkin #3489; RMG #3489 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(70)<=>C6H7(239)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3490; RMG #3490 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(71)<=>C6H7(239)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3491; RMG #3491 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/Cs3] for rate rule [2_methyl_CPD;C_rad/Cs3] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(72)<=>C6H7(239)+RC10L(1) 2.568460e-04 4.418 3.856 + +! Reaction index: Chemkin #3492; RMG #3492 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C9H17LR(73)<=>C6H7(239)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3493; RMG #3493 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); CH3(74), C(75); +! Estimated using template [C/H3/Cd;C_methyl] for rate rule [2_methyl_CPD;C_methyl] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +CH3(74)+C6H8(118)<=>C(75)+C6H7(239) 6.752800e-02 4.253 7.537 + +! Reaction index: Chemkin #3494; RMG #3494 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C5H8L(77), C5H9L(57); +! Estimated using template [C/H3/Cd;C_rad/CdCs2] for rate rule [2_methyl_CPD;C_rad/CdCs2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8L(77)+C6H8(118)<=>C5H9L(57)+C6H7(239) 4.200000e-04 4.340 13.600 + +! Reaction index: Chemkin #3495; RMG #3495 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C5H8L(77), C5H9L(84); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8L(77)+C6H8(118)<=>C5H9L(84)+C6H7(239) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #3496; RMG #3496 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C3H4R(78), C3H5R(12); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4R(78)+C6H8(118)<=>C3H5R(12)+C6H7(239) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #3497; RMG #3497 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C3H4R(78), C3H5R(58); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [2_methyl_CPD;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4R(78)+C6H8(118)<=>C3H5R(58)+C6H7(239) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #3498; RMG #3498 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C4H6R(79), C4H7R(60); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H6R(79)+C6H8(118)<=>C4H7R(60)+C6H7(239) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #3499; RMG #3499 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C4H6R(79), C4H7R(81); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [2_methyl_CPD;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H6R(79)+C6H8(118)<=>C4H7R(81)+C6H7(239) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #3500; RMG #3500 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C7H15(85)<=>C6H7(239)+CC(C)CC(C)C(87) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3501; RMG #3501 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C5H8L(89), C5H9L(24); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8L(89)+C6H8(118)<=>C5H9L(24)+C6H7(239) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #3502; RMG #3502 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C5H8L(89), C5H9L(57); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [2_methyl_CPD;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8L(89)+C6H8(118)<=>C5H9L(57)+C6H7(239) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #3503; RMG #3503 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(56); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/CdCs2] for rate rule [2_methyl_CPD;C_rad/CdCs2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C6H10R(90)<=>C6H7(239)+C6H11R(56) 4.200000e-04 4.340 13.600 + +! Reaction index: Chemkin #3504; RMG #3504 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C6H10R(90)<=>C6H7(239)+C6H11R(98) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #3505; RMG #3505 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C[CH]C(94), CCC(95); +! Estimated using template [C/H3/Cd;C_rad/H/Cs\H3/Cs\H3] for rate rule [2_methyl_CPD;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]C(94)+C6H8(118)<=>CCC(95)+C6H7(239) 1.008000e-03 4.340 4.700 + +! Reaction index: Chemkin #3506; RMG #3506 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C3H5(102), C3H6(18); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [2_methyl_CPD;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H5(102)+C6H8(118)<=>C3H6(18)+C6H7(239) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #3507; RMG #3507 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C6H10L(103)<=>C6H7(239)+C6H11L(63) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #3508; RMG #3508 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(107); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [2_methyl_CPD;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C6H10L(103)<=>C6H7(239)+C6H11L(107) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #3509; RMG #3509 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C7H12R(108)<=>C6H7(239)+C7H13R(62) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #3510; RMG #3510 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [2_methyl_CPD;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C7H12R(108)<=>C6H7(239)+C7H13R(120) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #3511; RMG #3511 +! Template reaction: H_Abstraction +! Flux pairs: C8H14L(112), C8H15L(61); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/CdCs2] for rate rule [2_methyl_CPD;C_rad/CdCs2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C8H14L(112)<=>C6H7(239)+C8H15L(61) 4.200000e-04 4.340 13.600 + +! Reaction index: Chemkin #3512; RMG #3512 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C6H7(239), C6H8(118); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H7(239)+C6H10(110)<=>C6H8(118)+C6H9(113) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #3513; RMG #3513 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(114), C6H10(116); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C6H9(114)<=>C6H7(239)+C6H10(116) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #3514; RMG #3514 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H9(114)<=>C6H8(118)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3515; RMG #3515 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C8H16L(15)<=>C6H7(239)+C8H17L(49) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3516; RMG #3516 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C10H20R(64)<=>C6H7(239)+RC10(2) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3517; RMG #3517 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C10H20L(76)<=>C6H7(239)+LC10(3) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #3518; RMG #3518 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); H(82), [H][H](83); +! Estimated using template [C/H3/Cd;H_rad] for rate rule [2_methyl_CPD;H_rad] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +H(82)+C6H8(118)<=>[H][H](83)+C6H7(239) 3.050340e+03 3.153 4.317 + +! Reaction index: Chemkin #3519; RMG #3519 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H8(118); C6H7(123), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/CdCd] for rate rule [2_methyl_CPD;C_rad/H/CdCd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H7(123)+C6H8(118)<=>C6H7(239)+C6H8(118) 6.780000e-03 4.340 19.700 + +! Reaction index: Chemkin #3520; RMG #3520 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H8(125); C6H7(123), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/CdCd] for rate rule [2_methyl_CPD;C_rad/H/CdCd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H7(123)+C6H8(118)<=>C6H7(239)+C6H8(125) 6.780000e-03 4.340 19.700 + +! Reaction index: Chemkin #3521; RMG #3521 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H9(114)<=>C6H8(118)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3522; RMG #3522 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(239)+C6H9(160)<=>C6H8(118)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3523; RMG #3523 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C3H4L(147), C3H5L(59); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [2_methyl_CPD;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H4L(147)+C6H8(118)<=>C3H5L(59)+C6H7(239) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #3524; RMG #3524 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C4H7(156), C4H8(157); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [2_methyl_CPD;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.4142135623730951 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7(156)+C6H8(118)<=>C4H8(157)+C6H7(239) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #3525; RMG #3525 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(160), C6H10(116); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H8(118)+C6H9(160)<=>C6H7(239)+C6H10(116) 5.382000e-03 4.340 14.300 + +! Reaction index: Chemkin #3526; RMG #3526 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(169), C6H11L(107); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/CdCs2] for rate rule [2_methyl_CPD;C_rad/CdCs2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C6H10L(169)<=>C6H7(239)+C6H11L(107) 4.200000e-04 4.340 13.600 + +! Reaction index: Chemkin #3527; RMG #3527 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C6H10R(171)<=>C6H7(239)+C6H11R(17) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #3528; RMG #3528 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [2_methyl_CPD;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C6H10R(171)<=>C6H7(239)+C6H11R(56) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #3529; RMG #3529 +! Template reaction: H_Abstraction +! Flux pairs: C6H7(239), C6H8(118); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C6H7(239)<=>C5H7(174)+C6H8(118) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #3530; RMG #3530 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C5H7(178), C5H8(180); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C5H7(178)+C6H8(118)<=>C5H8(180)+C6H7(239) 5.382000e-03 4.340 14.300 + +! Reaction index: Chemkin #3531; RMG #3531 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C10H15(183)<=>C6H8(118)+C10H14(184) 1.225850e+27 -4.376 10.743 + +! Reaction index: Chemkin #3532; RMG #3532 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(118); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H7(239)<=>C5H6(187)+C6H8(118) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3533; RMG #3533 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C5H5(189), C5H6(187); +! Estimated using template [C/H3/Cd;C_rad/H/CdCd] for rate rule [2_methyl_CPD;C_rad/H/CdCd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 15.0 +! family: H_Abstraction +C5H5(189)+C6H8(118)<=>C5H6(187)+C6H7(239) 1.695000e-02 4.340 19.700 + +! Reaction index: Chemkin #3534; RMG #3534 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C8H13(191)<=>C6H8(118)+C8H12(194) 1.225850e+27 -4.376 8.206 + +! Reaction index: Chemkin #3535; RMG #3535 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); [CH2]CC(195), CCC(95); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]CC(195)+C6H8(118)<=>CCC(95)+C6H7(239) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #3536; RMG #3536 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(199), C7H13R(120); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/CdCs2] for rate rule [2_methyl_CPD;C_rad/CdCs2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C7H12R(199)<=>C6H7(239)+C7H13R(120) 4.200000e-04 4.340 13.600 + +! Reaction index: Chemkin #3537; RMG #3537 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C10H13(202)<=>C6H8(118)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3538; RMG #3538 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C10H13(202)<=>C6H7(239)+C10H14(179) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #3539; RMG #3539 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated using template [C/H3/Cd;C_rad/Cs3] for rate rule [2_methyl_CPD;C_rad/Cs3] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H9L2(203)+C6H8(118)<=>CC(L)CC(C)L(35)+C6H7(239) 2.568460e-04 4.418 3.856 + +! Reaction index: Chemkin #3540; RMG #3540 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C3H4L(219), C3H5L(86); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [2_methyl_CPD;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4L(219)+C6H8(118)<=>C3H5L(86)+C6H7(239) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #3541; RMG #3541 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C4H6R(224), C4H7R(60); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [2_methyl_CPD;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H6R(224)+C6H8(118)<=>C4H7R(60)+C6H7(239) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #3542; RMG #3542 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C11H15(234)<=>C6H7(239)+C11H16(229) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #3543; RMG #3543 +! Library reaction: restart +! Flux pairs: C4H6R(224), C10H13R(240); C6H7(239), C10H13R(240); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 2.0 +C4H6R(224)+C6H7(239)<=>C10H13R(240) 3.535860e+16 -1.003 0.000 + +! Reaction index: Chemkin #3544; RMG #3544 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5L(59), C9H12L(241); C6H7(239), C9H12L(241); +! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C3H5L(59)+C6H7(239)<=>C9H12L(241) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #3545; RMG #3545 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C2H4(196), C8H11(242); C6H7(239), C8H11(242); +! From training reaction 13 used for Cds-HH_Cds-HH;CsJ-CdCdH +! Exact match found for rate rule [Cds-HH_Cds-HH;CsJ-CdCdH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +! Ea raised from 19.0 to 20.1 kJ/mol to match endothermicity of reaction. +! Ea raised from 20.1 to 20.1 kJ/mol to match endothermicity of reaction. +C2H4(196)+C6H7(239)<=>C8H11(242) 2.971820e+02 2.951 4.811 + +! Reaction index: Chemkin #3546; RMG #3546 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H5L(91), C10H12L(243); C6H7(239), C10H12L(243); +! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C4H5L(91)+C6H7(239)<=>C10H12L(243) 2.490000e+04 2.410 8.810 + +! Reaction index: Chemkin #3547; RMG #3547 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H14(244); C6H7(239), C12H14(244); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +C6H7(239)+C6H7(239)<=>C12H14(244) 5.000000e+13 -0.000 0.000 + +! Reaction index: Chemkin #3548; RMG #3548 +! Library reaction: restart +! Flux pairs: C9H12L(241), C9H12L(245); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing +C9H12L(241)<=>C9H12L(245) 1.260000e+11 0.160 5.938 + +! Reaction index: Chemkin #3549; RMG #3549 +! Library reaction: restart +! Flux pairs: C5H7(174), C11H14(246); C6H7(239), C11H14(246); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(174)+C6H7(239)<=>C11H14(246) 3.535860e+16 -1.003 0.000 + +! Reaction index: Chemkin #3550; RMG #3550 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H7R(60), C10H14R(247); C6H7(239), C10H14R(247); +! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C4H7R(60)+C6H7(239)<=>C10H14R(247) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #3551; RMG #3551 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7L(104), C11H14L(248); C6H7(239), C11H14L(248); +! Estimated using template [Cds-HH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C5H7L(104)+C6H7(239)<=>C11H14L(248) 2.820000e+04 2.410 8.390 + +! Reaction index: Chemkin #3552; RMG #3552 +! Library reaction: restart +! Flux pairs: C10H12L(243), C10H12L(249); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing +C10H12L(243)<=>C10H12L(249) 1.260000e+11 0.160 11.046 + +! Reaction index: Chemkin #3553; RMG #3553 +! Library reaction: restart +! Flux pairs: C10H14R(247), C10H14R(250); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing +C10H14R(247)<=>C10H14R(250) 1.260000e+11 0.160 5.938 + +! Reaction index: Chemkin #3554; RMG #3554 +! Library reaction: restart +! Flux pairs: C5H7(174), C11H14(251); C6H7(239), C11H14(251); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(174)+C6H7(239)<=>C11H14(251) 3.535860e+16 -1.003 0.000 + +! Reaction index: Chemkin #3555; RMG #3555 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C6H7(123); C6H6(252), C6H7(123); +! Matched reaction 63 C6H6 + H <=> C6H7-4 in R_Addition_MultipleBond/training +! This reaction matched rate rule [Cds-HH_Cds-CdCd;HJ] +! family: R_Addition_MultipleBond +H(82)+C6H6(252)<=>C6H7(123) 1.031000e+09 1.339 -0.477 + +! Reaction index: Chemkin #3556; RMG #3556 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C6H7(123)<=>C5H8(173)+C6H6(252) 2.451710e+27 -4.376 12.126 + +! Reaction index: Chemkin #3557; RMG #3557 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C6H7(123)<=>C5H8(180)+C6H6(252) 2.451710e+27 -4.376 11.389 + +! Reaction index: Chemkin #3558; RMG #3558 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C6H7(239); C6H6(252), C6H7(239); +! Matched reaction 66 C6H6-4 + H <=> C6H7-7 in R_Addition_MultipleBond/training +! This reaction matched rate rule [Cds-CdH_Cds-CdH_cyc5_2;HJ] +! family: R_Addition_MultipleBond +H(82)+C6H6(252)<=>C6H7(239) 2.022000e+09 1.369 2.244 + +! Reaction index: Chemkin #3559; RMG #3559 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C6H7(239)<=>CCL(26)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3560; RMG #3560 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C6H7(239)<=>C5H9L(57)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3561; RMG #3561 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C6H7(239)<=>C5H9L(84)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3562; RMG #3562 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C6H7(123)<=>C3H5R(12)+C6H6(252) 1.225850e+27 -4.376 10.481 + +! Reaction index: Chemkin #3563; RMG #3563 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C6H7(123)<=>C3H5R(58)+C6H6(252) 1.225850e+27 -4.376 9.625 + +! Reaction index: Chemkin #3564; RMG #3564 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C6H7(239)<=>C3H5R(12)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3565; RMG #3565 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C6H7(239)<=>C3H5R(58)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3566; RMG #3566 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C6H7(239)<=>C4H7R(60)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3567; RMG #3567 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C6H7(239)<=>C4H7R(81)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3568; RMG #3568 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H10R(90)<=>C6H6(252)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3569; RMG #3569 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H10R(90)<=>C6H6(252)+C6H11R(98) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3570; RMG #3570 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C6H7(239)<=>C3H6(18)+C6H6(252) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3571; RMG #3571 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H9(113)<=>C6H6(252)+C6H10(110) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3572; RMG #3572 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C6H7(239)<=>C3H5L(59)+C6H6(252) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3573; RMG #3573 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H7(156)+C6H7(239)<=>C4H8(157)+C6H6(252) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3574; RMG #3574 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C6H7(239)<=>C5H8(173)+C6H6(252) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3575; RMG #3575 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C5H5(189)+C6H7(239)<=>C5H6(187)+C6H6(252) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #3576; RMG #3576 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(224)+C6H7(239)<=>C4H7R(60)+C6H6(252) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3577; RMG #3577 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(118); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H7(239)<=>C6H6(252)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3578; RMG #3578 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C6H7(239)<=>C5H9L(24)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3579; RMG #3579 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C6H7(239)<=>C5H9L(57)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3580; RMG #3580 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H10L(103)<=>C6H6(252)+C6H11L(63) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3581; RMG #3581 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H10L(103)<=>C6H6(252)+C6H11L(107) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3582; RMG #3582 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C7H12R(108)<=>C6H6(252)+C7H13R(62) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3583; RMG #3583 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C7H12R(108)<=>C6H6(252)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3584; RMG #3584 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H9(114)<=>C6H6(252)+C6H10(116) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3585; RMG #3585 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H10(116); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(239)+C6H9(160)<=>C6H6(252)+C6H10(116) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3586; RMG #3586 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H10L(169)<=>C6H6(252)+C6H11L(107) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3587; RMG #3587 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H7(239)<=>C5H8(180)+C6H6(252) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3588; RMG #3588 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C7H12R(199)<=>C6H6(252)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3589; RMG #3589 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C6H7(239)<=>C3H5L(86)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3590; RMG #3590 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C9H17LR(65)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3591; RMG #3591 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C9H17LR(65)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 7.445 + +! Reaction index: Chemkin #3592; RMG #3592 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C9H17LR(69)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3593; RMG #3593 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C9H17LR(69)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 7.445 + +! Reaction index: Chemkin #3594; RMG #3594 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C9H17LR(66)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3595; RMG #3595 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C9H17LR(66)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 6.982 + +! Reaction index: Chemkin #3596; RMG #3596 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C9H17LR(68)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3597; RMG #3597 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C9H17LR(68)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 6.982 + +! Reaction index: Chemkin #3598; RMG #3598 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C9H17LR(72)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3599; RMG #3599 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C9H17LR(72)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 7.445 + +! Reaction index: Chemkin #3600; RMG #3600 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C9H17LR(73)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3601; RMG #3601 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C9H17LR(73)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 6.383 + +! Reaction index: Chemkin #3602; RMG #3602 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C9H17LR(71)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3603; RMG #3603 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C9H17LR(71)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 6.383 + +! Reaction index: Chemkin #3604; RMG #3604 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C9H17LR(67)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3605; RMG #3605 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C9H17LR(67)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 6.982 + +! Reaction index: Chemkin #3606; RMG #3606 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C9H17LR(70)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3607; RMG #3607 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C9H17LR(70)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 6.383 + +! Reaction index: Chemkin #3608; RMG #3608 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C10H20R(64)<=>C6H6(252)+RC10(2) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3609; RMG #3609 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C10H20R(64)<=>C6H6(252)+RC10(2) 1.225850e+27 -4.376 6.982 + +! Reaction index: Chemkin #3610; RMG #3610 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C10H20L(76)<=>C6H6(252)+LC10(3) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3611; RMG #3611 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C10H20L(76)<=>C6H6(252)+LC10(3) 1.225850e+27 -4.376 6.982 + +! Reaction index: Chemkin #3612; RMG #3612 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C6H7(239)<=>CC(C)L(13)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3613; RMG #3613 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C6H7(123)<=>CC(C)L(13)+C6H6(252) 1.225850e+27 -4.376 6.383 + +! Reaction index: Chemkin #3614; RMG #3614 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H7(239)<=>CCCC(C)L(16)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3615; RMG #3615 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H7(123)<=>CCCC(C)L(16)+C6H6(252) 1.225850e+27 -4.376 6.982 + +! Reaction index: Chemkin #3616; RMG #3616 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H10R(171)<=>C6H6(252)+C6H11R(17) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3617; RMG #3617 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C6H10R(171)<=>C6H6(252)+C6H11R(17) 1.225850e+27 -4.376 10.646 + +! Reaction index: Chemkin #3618; RMG #3618 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C6H7(123)<=>C3H6(18)+C6H6(252) 2.451710e+27 -4.376 9.658 + +! Reaction index: Chemkin #3619; RMG #3619 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C6H7(239)<=>CC(C)CR(20)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3620; RMG #3620 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C6H7(123)<=>CC(C)CR(20)+C6H6(252) 1.225850e+27 -4.376 6.383 + +! Reaction index: Chemkin #3621; RMG #3621 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C6H7(239)<=>CR(22)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3622; RMG #3622 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C6H7(123)<=>CR(22)+C6H6(252) 1.225850e+27 -4.376 6.383 + +! Reaction index: Chemkin #3623; RMG #3623 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C7H14R(9)<=>C6H6(252)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3624; RMG #3624 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C7H14R(9)<=>C6H6(252)+CC(C)CC(C)CR(23) 1.225850e+27 -4.376 6.383 + +! Reaction index: Chemkin #3625; RMG #3625 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C6H7(123)<=>C5H9L(24)+C6H6(252) 1.225850e+27 -4.376 10.646 + +! Reaction index: Chemkin #3626; RMG #3626 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H12L(11)<=>C6H6(252)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3627; RMG #3627 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C6H12L(11)<=>C6H6(252)+CC(C)CC(C)L(25) 1.225850e+27 -4.376 6.383 + +! Reaction index: Chemkin #3628; RMG #3628 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H7(123)<=>CCL(26)+C6H6(252) 1.225850e+27 -4.376 6.982 + +! Reaction index: Chemkin #3629; RMG #3629 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H7(239)<=>CCCR(27)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3630; RMG #3630 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H7(123)<=>CCCR(27)+C6H6(252) 1.225850e+27 -4.376 6.982 + +! Reaction index: Chemkin #3631; RMG #3631 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C[CH]CC(C)CR(5)<=>C6H6(252)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3632; RMG #3632 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C[CH]CC(C)CR(5)<=>C6H6(252)+CCCC(C)CR(32) 1.225850e+27 -4.376 6.982 + +! Reaction index: Chemkin #3633; RMG #3633 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9L2(203)+C6H7(239)<=>CC(L)CC(C)L(35)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3634; RMG #3634 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C6H7(123)<=>CC(L)CC(C)L(35)+C6H6(252) 1.225850e+27 -4.376 7.445 + +! Reaction index: Chemkin #3635; RMG #3635 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C8H16L(15)<=>C6H6(252)+C8H17L(49) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3636; RMG #3636 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C8H16L(15)<=>C6H6(252)+C8H17L(49) 1.225850e+27 -4.376 6.982 + +! Reaction index: Chemkin #3637; RMG #3637 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C6H10R(90)<=>C6H6(252)+C6H11R(56) 1.225850e+27 -4.376 11.046 + +! Reaction index: Chemkin #3638; RMG #3638 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H10R(171)<=>C6H6(252)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3639; RMG #3639 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C6H10R(171)<=>C6H6(252)+C6H11R(56) 1.225850e+27 -4.376 9.625 + +! Reaction index: Chemkin #3640; RMG #3640 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H7(123)<=>C5H9L(57)+C6H6(252) 1.225850e+27 -4.376 11.046 + +! Reaction index: Chemkin #3641; RMG #3641 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C6H7(123)<=>C5H9L(57)+C6H6(252) 1.225850e+27 -4.376 9.625 + +! Reaction index: Chemkin #3642; RMG #3642 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C6H7(123)<=>C3H5L(59)+C6H6(252) 2.451710e+27 -4.376 9.625 + +! Reaction index: Chemkin #3643; RMG #3643 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C6H7(123)<=>C4H7R(60)+C6H6(252) 2.451710e+27 -4.376 9.625 + +! Reaction index: Chemkin #3644; RMG #3644 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C6H7(123)<=>C4H7R(60)+C6H6(252) 1.225850e+27 -4.376 10.481 + +! Reaction index: Chemkin #3645; RMG #3645 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C8H14L(112)<=>C6H6(252)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3646; RMG #3646 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C8H14L(112)<=>C6H6(252)+C8H15L(61) 1.225850e+27 -4.376 11.046 + +! Reaction index: Chemkin #3647; RMG #3647 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C7H12R(108)<=>C6H6(252)+C7H13R(62) 1.225850e+27 -4.376 10.646 + +! Reaction index: Chemkin #3648; RMG #3648 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C6H10L(103)<=>C6H6(252)+C6H11L(63) 1.225850e+27 -4.376 10.646 + +! Reaction index: Chemkin #3649; RMG #3649 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C6H7(239)<=>C(75)+C6H6(252) 1.150000e+13 -0.320 0.119 +DUPLICATE + +! Reaction index: Chemkin #3650; RMG #3650 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C6H7(123)<=>C(75)+C6H6(252) 1.225850e+27 -4.376 5.544 + +! Reaction index: Chemkin #3651; RMG #3651 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(74)+C6H7(239)<=>C(75)+C6H6(252) 9.124700e+12 -0.160 0.119 +DUPLICATE + +! Reaction index: Chemkin #3652; RMG #3652 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C6H7(123)<=>C4H7R(81)+C6H6(252) 1.225850e+27 -4.376 9.625 + +! Reaction index: Chemkin #3653; RMG #3653 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C6H7(239)<=>[H][H](83)+C6H6(252) 1.191690e+10 0.568 0.000 + +! Reaction index: Chemkin #3654; RMG #3654 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C6H7(123)<=>[H][H](83)+C6H6(252) 1.225850e+27 -4.376 5.722 + +! Reaction index: Chemkin #3655; RMG #3655 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H7(123)<=>C5H9L(84)+C6H6(252) 1.225850e+27 -4.376 10.631 + +! Reaction index: Chemkin #3656; RMG #3656 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C6H7(123)<=>C3H5L(86)+C6H6(252) 1.225850e+27 -4.376 9.625 + +! Reaction index: Chemkin #3657; RMG #3657 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C7H15(85)<=>C6H6(252)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3658; RMG #3658 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C7H15(85)<=>C6H6(252)+CC(C)CC(C)C(87) 1.225850e+27 -4.376 6.383 + +! Reaction index: Chemkin #3659; RMG #3659 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]C(94)+C6H7(239)<=>CCC(95)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3660; RMG #3660 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C6H7(123)<=>CCC(95)+C6H6(252) 1.225850e+27 -4.376 6.958 + +! Reaction index: Chemkin #3661; RMG #3661 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H6(252); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H7(239)<=>CCC(95)+C6H6(252) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3662; RMG #3662 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C6H7(123)<=>CCC(95)+C6H6(252) 1.225850e+27 -4.376 6.278 + +! Reaction index: Chemkin #3663; RMG #3663 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C6H10R(90)<=>C6H6(252)+C6H11R(98) 1.225850e+27 -4.376 10.631 + +! Reaction index: Chemkin #3664; RMG #3664 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C6H10L(169)<=>C6H6(252)+C6H11L(107) 1.225850e+27 -4.376 11.046 + +! Reaction index: Chemkin #3665; RMG #3665 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C6H10L(103)<=>C6H6(252)+C6H11L(107) 1.225850e+27 -4.376 9.625 + +! Reaction index: Chemkin #3666; RMG #3666 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C6H9(113)<=>C6H6(252)+C6H10(110) 1.225850e+27 -4.376 12.241 + +! Reaction index: Chemkin #3667; RMG #3667 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H10(116); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C6H9(160)<=>C6H6(252)+C6H10(116) 2.451710e+27 -4.376 11.389 + +! Reaction index: Chemkin #3668; RMG #3668 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C6H9(114)<=>C6H6(252)+C6H10(116) 1.225850e+27 -4.376 11.389 + +! Reaction index: Chemkin #3669; RMG #3669 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(118); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C6H7(239)<=>C6H6(252)+C6H8(118) 3.095870e+12 0.025 0.000 +DUPLICATE + +! Reaction index: Chemkin #3670; RMG #3670 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(118); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C6H7(123)+C6H7(123)<=>C6H6(252)+C6H8(118) 4.903420e+27 -4.376 10.607 + +! Reaction index: Chemkin #3671; RMG #3671 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(118); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C6H7(239)<=>C6H6(252)+C6H8(118) 1.225850e+27 -4.376 12.126 +DUPLICATE + +! Reaction index: Chemkin #3672; RMG #3672 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C7H12R(199)<=>C6H6(252)+C7H13R(120) 1.225850e+27 -4.376 11.046 + +! Reaction index: Chemkin #3673; RMG #3673 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C7H12R(108)<=>C6H6(252)+C7H13R(120) 1.225850e+27 -4.376 9.625 + +! Reaction index: Chemkin #3674; RMG #3674 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(125); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C6H7(239)<=>C6H6(252)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #3675; RMG #3675 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(125); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C6H7(123)+C6H7(123)<=>C6H6(252)+C6H8(125) 4.903420e+27 -4.376 10.713 + +! Reaction index: Chemkin #3676; RMG #3676 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C6H7(123)<=>C4H8(157)+C6H6(252) 2.451710e+27 -4.376 9.245 + +! Reaction index: Chemkin #3677; RMG #3677 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H6(252); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C6H7(123)<=>C5H6(187)+C6H6(252) 6.129270e+27 -4.376 10.585 + +! Reaction index: Chemkin #3678; RMG #3678 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C10H13(202)<=>C6H6(252)+C10H14(179) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3679; RMG #3679 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C10H13(202)<=>C6H6(252)+C10H14(179) 1.225850e+27 -4.376 11.468 + +! Reaction index: Chemkin #3680; RMG #3680 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C11H15(234)<=>C6H6(252)+C11H16(229) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #3681; RMG #3681 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C11H15(234)<=>C6H6(252)+C11H16(229) 1.225850e+27 -4.376 11.389 + +! Reaction index: Chemkin #3682; RMG #3682 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5L(59), C9H15L2(253); C6H10L(103), C9H15L2(253); +! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C3H5L(59)+C6H10L(103)<=>C9H15L2(253) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #3683; RMG #3683 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H14(254); C6H7(239), C12H14(254); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +C6H7(239)+C6H7(239)<=>C12H14(254) 2.500000e+13 -0.000 0.000 + +! Reaction index: Chemkin #3684; RMG #3684 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H14(255); C6H7(239), C12H14(255); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +C6H7(239)+C6H7(239)<=>C12H14(255) 2.500000e+13 -0.000 0.000 + +! Reaction index: Chemkin #3685; RMG #3685 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H8(173), C11H15(256); C6H7(239), C11H15(256); +! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C5H8(173)+C6H7(239)<=>C11H15(256) 2.490000e+04 2.410 8.810 + +! Reaction index: Chemkin #3686; RMG #3686 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H14(257); C6H7(239), C12H14(257); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H7(239)<=>C12H14(257) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #3687; RMG #3687 +! Library reaction: restart +! Flux pairs: C11H14L(248), C11H14L(258); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing +C11H14L(248)<=>C11H14L(258) 1.260000e+11 0.160 12.012 + +! Reaction index: Chemkin #3688; RMG #3688 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C10H14(179)<=>CCCC(C)L(16)+C10H13(202) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #3689; RMG #3689 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H14R(9)+C10H14(179)<=>CC(C)CC(C)CR(23)+C10H13(202) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #3690; RMG #3690 +! Template reaction: H_Abstraction +! Flux pairs: C10H14(179), C10H13(202); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)CR(5)+C10H14(179)<=>CCCC(C)CR(32)+C10H13(202) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #3691; RMG #3691 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); CC(L)CC(C)L(35), C5H9L2(203); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C11H15(234)<=>C5H9L2(203)+C11H16(229) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #3692; RMG #3692 +! Template reaction: H_Abstraction +! Flux pairs: C11H16(229), C11H15(234); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C11H16(229)<=>C3H5L(86)+C11H15(234) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #3693; RMG #3693 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C6H7(239), C12H18L(259); C6H11L(63), C12H18L(259); +! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C6H7(239)+C6H11L(63)<=>C12H18L(259) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #3694; RMG #3694 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H6(18), C9H13(260); C6H7(239), C9H13(260); +! From training reaction 242 used for Cds-HH_Cds-Cs\H3/H;CsJ-CdCsH +! Exact match found for rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-CdCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H6(18)+C6H7(239)<=>C9H13(260) 3.860000e+03 2.410 11.370 + +! Reaction index: Chemkin #3695; RMG #3695 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H14(261); C6H7(239), C12H14(261); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H7(239)<=>C12H14(261) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #3696; RMG #3696 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(118); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C6H7(239)<=>C6H6(252)+C6H8(118) 3.095870e+12 0.025 0.000 +DUPLICATE + +! Reaction index: Chemkin #3697; RMG #3697 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(118); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C6H7(239)<=>C6H6(252)+C6H8(118) 1.225850e+27 -4.376 12.126 +DUPLICATE + +! Reaction index: Chemkin #3698; RMG #3698 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C5H8L(77); C5H7L(262), C5H8L(77); +! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C5H7L(262)<=>C5H8L(77) 2.310000e+08 1.640 -0.470 + +! Reaction index: Chemkin #3699; RMG #3699 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C5H8L(77)<=>CCCR(27)+C5H7L(262) 1.225850e+27 -4.376 6.150 + +! Reaction index: Chemkin #3700; RMG #3700 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C5H8L(77)<=>CCL(26)+C5H7L(262) 1.225850e+27 -4.376 6.150 + +! Reaction index: Chemkin #3701; RMG #3701 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(57); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C5H8L(77)<=>C5H7L(262)+C5H9L(57) 1.225850e+27 -4.376 9.934 + +! Reaction index: Chemkin #3702; RMG #3702 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(84); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C5H8L(77)<=>C5H7L(262)+C5H9L(84) 1.225850e+27 -4.376 9.545 + +! Reaction index: Chemkin #3703; RMG #3703 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C5H8L(77)<=>C3H5R(12)+C5H7L(262) 1.225850e+27 -4.376 9.405 + +! Reaction index: Chemkin #3704; RMG #3704 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C5H8L(77)<=>C3H5R(58)+C5H7L(262) 1.225850e+27 -4.376 8.605 + +! Reaction index: Chemkin #3705; RMG #3705 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C5H8L(77)<=>C4H7R(60)+C5H7L(262) 1.225850e+27 -4.376 9.405 + +! Reaction index: Chemkin #3706; RMG #3706 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C5H8L(77)<=>C4H7R(81)+C5H7L(262) 1.225850e+27 -4.376 8.605 + +! Reaction index: Chemkin #3707; RMG #3707 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C7H15(85)<=>C5H7L(262)+CC(C)CC(C)C(87) 1.225850e+27 -4.376 5.597 + +! Reaction index: Chemkin #3708; RMG #3708 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C5H8L(89); C5H7L(262), C5H8L(89); +! From training reaction 2570 used for Cds-CsCs_Cds-CdH;HJ +! Exact match found for rate rule [Cds-CsCs_Cds-CdH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C5H7L(262)<=>C5H8L(89) 7.170000e+07 1.640 1.180 + +! Reaction index: Chemkin #3709; RMG #3709 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(57); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C5H8L(77)<=>C5H7L(262)+C5H9L(57) 5.258140e+13 -0.550 0.671 +DUPLICATE + +! Reaction index: Chemkin #3710; RMG #3710 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(84); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C5H8L(77)<=>C5H7L(262)+C5H9L(84) 5.258140e+13 -0.550 0.547 + +! Reaction index: Chemkin #3711; RMG #3711 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(24); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C5H8L(77)<=>C5H7L(262)+C5H9L(24) 1.225850e+27 -4.376 9.560 + +! Reaction index: Chemkin #3712; RMG #3712 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(57); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C5H8L(77)<=>C5H7L(262)+C5H9L(57) 1.225850e+27 -4.376 8.605 +DUPLICATE + +! Reaction index: Chemkin #3713; RMG #3713 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C3H4R(78)+C5H8L(89)<=>C3H5R(12)+C5H7L(262) 5.258140e+13 -0.550 0.505 + +! Reaction index: Chemkin #3714; RMG #3714 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C3H4R(78)+C5H8L(89)<=>C3H5R(58)+C5H7L(262) 7.830000e+11 0.000 0.294 + +! Reaction index: Chemkin #3715; RMG #3715 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C4H6R(79)+C5H8L(89)<=>C4H7R(60)+C5H7L(262) 5.258140e+13 -0.550 0.505 + +! Reaction index: Chemkin #3716; RMG #3716 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C4H6R(79)+C5H8L(89)<=>C4H7R(81)+C5H7L(262) 7.830000e+11 0.000 0.294 + +! Reaction index: Chemkin #3717; RMG #3717 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(24); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C5H8L(89)<=>C5H7L(262)+C5H9L(24) 5.258140e+13 -0.550 0.551 + +! Reaction index: Chemkin #3718; RMG #3718 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H9L(57); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C5H8L(89)+C5H8L(89)<=>C5H7L(262)+C5H9L(57) 7.830000e+11 0.000 0.294 + +! Reaction index: Chemkin #3719; RMG #3719 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H10R(90)<=>C5H7L(262)+C6H11R(56) 1.225850e+27 -4.376 9.934 + +! Reaction index: Chemkin #3720; RMG #3720 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H10R(90)<=>C5H7L(262)+C6H11R(98) 1.225850e+27 -4.376 9.545 + +! Reaction index: Chemkin #3721; RMG #3721 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C6H10R(90)<=>C5H7L(262)+C6H11R(56) 5.258140e+13 -0.550 0.671 + +! Reaction index: Chemkin #3722; RMG #3722 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C6H10R(90)<=>C5H7L(262)+C6H11R(98) 5.258140e+13 -0.550 0.547 + +! Reaction index: Chemkin #3723; RMG #3723 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C5H8L(77)<=>C3H6(18)+C5H7L(262) 2.451710e+27 -4.376 8.636 + +! Reaction index: Chemkin #3724; RMG #3724 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C3H5(102)+C5H8L(89)<=>C3H6(18)+C5H7L(262) 1.566000e+12 0.000 0.301 + +! Reaction index: Chemkin #3725; RMG #3725 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H10L(103)<=>C5H7L(262)+C6H11L(63) 1.225850e+27 -4.376 9.560 + +! Reaction index: Chemkin #3726; RMG #3726 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H10L(103)<=>C5H7L(262)+C6H11L(107) 1.225850e+27 -4.376 8.605 + +! Reaction index: Chemkin #3727; RMG #3727 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C6H10L(103)<=>C5H7L(262)+C6H11L(63) 5.258140e+13 -0.550 0.551 + +! Reaction index: Chemkin #3728; RMG #3728 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C5H8L(89)+C6H10L(103)<=>C5H7L(262)+C6H11L(107) 7.830000e+11 0.000 0.294 + +! Reaction index: Chemkin #3729; RMG #3729 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C7H12R(108)<=>C5H7L(262)+C7H13R(62) 1.225850e+27 -4.376 9.560 + +! Reaction index: Chemkin #3730; RMG #3730 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C7H12R(108)<=>C5H7L(262)+C7H13R(120) 1.225850e+27 -4.376 8.605 + +! Reaction index: Chemkin #3731; RMG #3731 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C7H12R(108)<=>C5H7L(262)+C7H13R(62) 5.258140e+13 -0.550 0.551 + +! Reaction index: Chemkin #3732; RMG #3732 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C5H8L(89)+C7H12R(108)<=>C5H7L(262)+C7H13R(120) 7.830000e+11 0.000 0.294 + +! Reaction index: Chemkin #3733; RMG #3733 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H9(113)<=>C5H7L(262)+C6H10(110) 1.225850e+27 -4.376 11.055 + +! Reaction index: Chemkin #3734; RMG #3734 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H9(114)<=>C5H7L(262)+C6H10(116) 1.225850e+27 -4.376 10.255 + +! Reaction index: Chemkin #3735; RMG #3735 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C5H8L(89)+C6H9(113)<=>C5H7L(262)+C6H10(110) 7.830000e+11 0.000 1.085 + +! Reaction index: Chemkin #3736; RMG #3736 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C6H9(114)<=>C5H7L(262)+C6H10(116) 5.258140e+13 -0.550 0.781 + +! Reaction index: Chemkin #3737; RMG #3737 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C5H8L(77)<=>C3H5L(59)+C5H7L(262) 2.451710e+27 -4.376 8.605 + +! Reaction index: Chemkin #3738; RMG #3738 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C5H8L(77)<=>C4H8(157)+C5H7L(262) 2.451710e+27 -4.376 8.251 + +! Reaction index: Chemkin #3739; RMG #3739 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H8(173); C5H7(174), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C5H8L(77)<=>C5H7L(262)+C5H8(173) 2.451710e+27 -4.376 10.947 + +! Reaction index: Chemkin #3740; RMG #3740 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H8(173); C5H7(174), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(174)+C5H8L(89)<=>C5H7L(262)+C5H8(173) 1.566000e+12 0.000 1.042 + +! Reaction index: Chemkin #3741; RMG #3741 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H8(180); C5H7(178), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C5H8L(77)<=>C5H7L(262)+C5H8(180) 2.451710e+27 -4.376 10.255 + +! Reaction index: Chemkin #3742; RMG #3742 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H8(180); C5H7(178), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(178)+C5H8L(89)<=>C5H7L(262)+C5H8(180) 1.051630e+14 -0.550 0.781 + +! Reaction index: Chemkin #3743; RMG #3743 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C5H8L(77)<=>C5H6(187)+C5H7L(262) 6.129270e+27 -4.376 9.503 + +! Reaction index: Chemkin #3744; RMG #3744 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C5H8L(77)<=>C4H7R(60)+C5H7L(262) 2.451710e+27 -4.376 8.605 + +! Reaction index: Chemkin #3745; RMG #3745 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(118); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H7(239)<=>C5H7L(262)+C6H8(118) 1.225850e+27 -4.376 10.947 + +! Reaction index: Chemkin #3746; RMG #3746 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(118); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C5H8L(89)+C6H7(239)<=>C5H7L(262)+C6H8(118) 7.830000e+11 0.000 1.042 + +! Reaction index: Chemkin #3747; RMG #3747 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C9H17LR(65)<=>C5H7L(262)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3748; RMG #3748 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C9H17LR(65)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 6.578 + +! Reaction index: Chemkin #3749; RMG #3749 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C9H17LR(69)<=>C5H7L(262)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3750; RMG #3750 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C9H17LR(69)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 6.578 + +! Reaction index: Chemkin #3751; RMG #3751 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C9H17LR(66)<=>C5H7L(262)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3752; RMG #3752 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C9H17LR(66)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 6.150 + +! Reaction index: Chemkin #3753; RMG #3753 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C9H17LR(68)<=>C5H7L(262)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3754; RMG #3754 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C9H17LR(68)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 6.150 + +! Reaction index: Chemkin #3755; RMG #3755 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C9H17LR(72)<=>C5H7L(262)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3756; RMG #3756 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C9H17LR(72)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 6.578 + +! Reaction index: Chemkin #3757; RMG #3757 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C5H8L(89)+C9H17LR(73)<=>C5H7L(262)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #3758; RMG #3758 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C9H17LR(73)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 5.597 + +! Reaction index: Chemkin #3759; RMG #3759 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C5H8L(89)+C9H17LR(71)<=>C5H7L(262)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #3760; RMG #3760 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C9H17LR(71)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 5.597 + +! Reaction index: Chemkin #3761; RMG #3761 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C9H17LR(67)<=>C5H7L(262)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3762; RMG #3762 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C9H17LR(67)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 6.150 + +! Reaction index: Chemkin #3763; RMG #3763 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C5H8L(89)+C9H17LR(70)<=>C5H7L(262)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #3764; RMG #3764 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C9H17LR(70)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 5.597 + +! Reaction index: Chemkin #3765; RMG #3765 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C10H20R(64)<=>C5H7L(262)+RC10(2) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3766; RMG #3766 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C10H20R(64)<=>C5H7L(262)+RC10(2) 1.225850e+27 -4.376 6.150 + +! Reaction index: Chemkin #3767; RMG #3767 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C10H20L(76)<=>C5H7L(262)+LC10(3) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3768; RMG #3768 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C10H20L(76)<=>C5H7L(262)+LC10(3) 1.225850e+27 -4.376 6.150 + +! Reaction index: Chemkin #3769; RMG #3769 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C5H8L(89)<=>CC(C)L(13)+C5H7L(262) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #3770; RMG #3770 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C5H8L(77)<=>CC(C)L(13)+C5H7L(262) 1.225850e+27 -4.376 5.597 + +! Reaction index: Chemkin #3771; RMG #3771 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C[CH]CC(C)L(7)<=>C5H7L(262)+CCCC(C)L(16) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3772; RMG #3772 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C[CH]CC(C)L(7)<=>C5H7L(262)+CCCC(C)L(16) 1.225850e+27 -4.376 6.150 + +! Reaction index: Chemkin #3773; RMG #3773 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C6H10R(171)<=>C5H7L(262)+C6H11R(17) 5.258140e+13 -0.550 0.551 + +! Reaction index: Chemkin #3774; RMG #3774 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H10R(171)<=>C5H7L(262)+C6H11R(17) 1.225850e+27 -4.376 9.560 + +! Reaction index: Chemkin #3775; RMG #3775 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+C5H8L(89)<=>CC(C)CR(20)+C5H7L(262) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #3776; RMG #3776 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C5H8L(77)<=>CC(C)CR(20)+C5H7L(262) 1.225850e+27 -4.376 5.597 + +! Reaction index: Chemkin #3777; RMG #3777 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]R(14)+C5H8L(89)<=>CR(22)+C5H7L(262) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #3778; RMG #3778 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C5H8L(77)<=>CR(22)+C5H7L(262) 1.225850e+27 -4.376 5.597 + +! Reaction index: Chemkin #3779; RMG #3779 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C5H8L(89)+C7H14R(9)<=>C5H7L(262)+CC(C)CC(C)CR(23) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #3780; RMG #3780 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C7H14R(9)<=>C5H7L(262)+CC(C)CC(C)CR(23) 1.225850e+27 -4.376 5.597 + +! Reaction index: Chemkin #3781; RMG #3781 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C5H8L(89)+C6H12L(11)<=>C5H7L(262)+CC(C)CC(C)L(25) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #3782; RMG #3782 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H12L(11)<=>C5H7L(262)+CC(C)CC(C)L(25) 1.225850e+27 -4.376 5.597 + +! Reaction index: Chemkin #3783; RMG #3783 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]L(8)+C5H8L(89)<=>CCL(26)+C5H7L(262) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3784; RMG #3784 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]CR(10)+C5H8L(89)<=>CCCR(27)+C5H7L(262) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3785; RMG #3785 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C[CH]CC(C)CR(5)<=>C5H7L(262)+CCCC(C)CR(32) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3786; RMG #3786 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C[CH]CC(C)CR(5)<=>C5H7L(262)+CCCC(C)CR(32) 1.225850e+27 -4.376 6.150 + +! Reaction index: Chemkin #3787; RMG #3787 +! Library reaction: restart +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C5H9L2(203)<=>C5H7L(262)+CC(L)CC(C)L(35) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3788; RMG #3788 +! Library reaction: restart +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C5H9L2(203)<=>C5H7L(262)+CC(L)CC(C)L(35) 1.225850e+27 -4.376 6.578 + +! Reaction index: Chemkin #3789; RMG #3789 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C8H16L(15)<=>C5H7L(262)+C8H17L(49) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3790; RMG #3790 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C8H16L(15)<=>C5H7L(262)+C8H17L(49) 1.225850e+27 -4.376 6.150 + +! Reaction index: Chemkin #3791; RMG #3791 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C5H8L(89)+C6H10R(171)<=>C5H7L(262)+C6H11R(56) 7.830000e+11 0.000 0.294 + +! Reaction index: Chemkin #3792; RMG #3792 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H10R(171)<=>C5H7L(262)+C6H11R(56) 1.225850e+27 -4.376 8.605 + +! Reaction index: Chemkin #3793; RMG #3793 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(57); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C5H8L(77)<=>C5H7L(262)+C5H9L(57) 5.258140e+13 -0.550 0.671 +DUPLICATE + +! Reaction index: Chemkin #3794; RMG #3794 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H9L(57); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C5H8L(77)<=>C5H7L(262)+C5H9L(57) 1.225850e+27 -4.376 8.605 +DUPLICATE + +! Reaction index: Chemkin #3795; RMG #3795 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C3H4L(147)+C5H8L(89)<=>C3H5L(59)+C5H7L(262) 1.566000e+12 0.000 0.294 + +! Reaction index: Chemkin #3796; RMG #3796 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C4H6R(224)+C5H8L(89)<=>C4H7R(60)+C5H7L(262) 1.566000e+12 0.000 0.294 + +! Reaction index: Chemkin #3797; RMG #3797 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C8H14L(112)<=>C5H7L(262)+C8H15L(61) 5.258140e+13 -0.550 0.671 + +! Reaction index: Chemkin #3798; RMG #3798 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C8H14L(112)<=>C5H7L(262)+C8H15L(61) 1.225850e+27 -4.376 9.934 + +! Reaction index: Chemkin #3799; RMG #3799 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C +CH3(74)+C5H8L(89)<=>C(75)+C5H7L(262) 3.543620e+12 -0.187 0.000 + +! Reaction index: Chemkin #3800; RMG #3800 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C5H8L(77)<=>C(75)+C5H7L(262) 1.225850e+27 -4.376 4.826 + +! Reaction index: Chemkin #3801; RMG #3801 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C +H(82)+C5H8L(89)<=>[H][H](83)+C5H7L(262) 4.559710e+12 -0.222 0.000 +DUPLICATE + +! Reaction index: Chemkin #3802; RMG #3802 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C5H8L(77)<=>[H][H](83)+C5H7L(262) 1.225850e+27 -4.376 4.989 + +! Reaction index: Chemkin #3803; RMG #3803 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H +H(82)+C5H8L(89)<=>[H][H](83)+C5H7L(262) 9.040000e+11 0.000 0.000 +DUPLICATE + +! Reaction index: Chemkin #3804; RMG #3804 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C3H4L(219)+C5H8L(89)<=>C3H5L(86)+C5H7L(262) 7.830000e+11 0.000 0.294 + +! Reaction index: Chemkin #3805; RMG #3805 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C5H8L(77)<=>C3H5L(86)+C5H7L(262) 1.225850e+27 -4.376 8.605 + +! Reaction index: Chemkin #3806; RMG #3806 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C5H8L(89)+C7H15(85)<=>C5H7L(262)+CC(C)CC(C)C(87) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #3807; RMG #3807 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]C(94)+C5H8L(89)<=>CCC(95)+C5H7L(262) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #3808; RMG #3808 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C5H8L(77)<=>CCC(95)+C5H7L(262) 1.225850e+27 -4.376 6.128 + +! Reaction index: Chemkin #3809; RMG #3809 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]CC(195)+C5H8L(89)<=>CCC(95)+C5H7L(262) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #3810; RMG #3810 +! Library reaction: restart +! Flux pairs: C5H8L(77), C5H7L(262); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C5H8L(77)<=>CCC(95)+C5H7L(262) 1.225850e+27 -4.376 5.501 + +! Reaction index: Chemkin #3811; RMG #3811 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C6H10L(169)<=>C5H7L(262)+C6H11L(107) 5.258140e+13 -0.550 0.671 + +! Reaction index: Chemkin #3812; RMG #3812 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H10L(169)<=>C5H7L(262)+C6H11L(107) 1.225850e+27 -4.376 9.934 + +! Reaction index: Chemkin #3813; RMG #3813 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H10(116); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C6H9(160)<=>C5H7L(262)+C6H10(116) 1.051630e+14 -0.550 0.781 + +! Reaction index: Chemkin #3814; RMG #3814 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H10(116); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H8L(77)+C6H9(160)<=>C5H7L(262)+C6H10(116) 2.451710e+27 -4.376 10.255 + +! Reaction index: Chemkin #3815; RMG #3815 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(118); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C6H7(123)<=>C5H7L(262)+C6H8(118) 1.051630e+14 -0.550 0.540 + +! Reaction index: Chemkin #3816; RMG #3816 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(118); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H8L(77)+C6H7(123)<=>C5H7L(262)+C6H8(118) 2.451710e+27 -4.376 9.523 + +! Reaction index: Chemkin #3817; RMG #3817 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C7H12R(199)<=>C5H7L(262)+C7H13R(120) 5.258140e+13 -0.550 0.671 + +! Reaction index: Chemkin #3818; RMG #3818 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C7H12R(199)<=>C5H7L(262)+C7H13R(120) 1.225850e+27 -4.376 9.934 + +! Reaction index: Chemkin #3819; RMG #3819 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(125); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C6H7(123)<=>C5H7L(262)+C6H8(125) 1.051630e+14 -0.550 0.571 + +! Reaction index: Chemkin #3820; RMG #3820 +! Library reaction: restart +! Flux pairs: C6H7(123), C6H8(125); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H8L(77)+C6H7(123)<=>C5H7L(262)+C6H8(125) 2.451710e+27 -4.376 9.622 + +! Reaction index: Chemkin #3821; RMG #3821 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C4H7(156)+C5H8L(89)<=>C4H8(157)+C5H7L(262) 1.566000e+12 0.000 0.217 + +! Reaction index: Chemkin #3822; RMG #3822 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C10H13(202)<=>C5H7L(262)+C10H14(179) 5.258140e+13 -0.550 0.808 + +! Reaction index: Chemkin #3823; RMG #3823 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C10H13(202)<=>C5H7L(262)+C10H14(179) 1.225850e+27 -4.376 10.329 + +! Reaction index: Chemkin #3824; RMG #3824 +! Library reaction: restart +! Flux pairs: C5H8L(89), C5H7L(262); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 5.0 +C5H5(189)+C5H8L(89)<=>C5H6(187)+C5H7L(262) 2.629070e+14 -0.550 0.534 + +! Reaction index: Chemkin #3825; RMG #3825 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C11H15(234)<=>C5H7L(262)+C11H16(229) 5.258140e+13 -0.550 0.781 + +! Reaction index: Chemkin #3826; RMG #3826 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C11H15(234)<=>C5H7L(262)+C11H16(229) 1.225850e+27 -4.376 10.255 + +! Reaction index: Chemkin #3827; RMG #3827 +! Library reaction: restart +! Flux pairs: C3H4R(78), C9H11R(263); C6H7(239), C9H11R(263); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C3H4R(78)+C6H7(239)<=>C9H11R(263) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #3828; RMG #3828 +! Library reaction: restart +! Flux pairs: C3H4R(78), C9H11R(264); C6H7(239), C9H11R(264); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C3H4R(78)+C6H7(239)<=>C9H11R(264) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #3829; RMG #3829 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H15(265); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing +C11H15(256)<=>C11H15(265) 1.260000e+11 0.160 11.046 + +! Reaction index: Chemkin #3830; RMG #3830 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C6H7(239), C12H17(266); C6H10(110), C12H17(266); +! Estimated using template [Cds-HH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C6H7(239)+C6H10(110)<=>C12H17(266) 2.820000e+04 2.410 8.390 + +! Reaction index: Chemkin #3831; RMG #3831 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H16(267); C6H9(114), C12H16(267); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +C6H7(239)+C6H9(114)<=>C12H16(267) 5.000000e+13 -0.000 0.000 + +! Reaction index: Chemkin #3832; RMG #3832 +! Library reaction: restart +! Flux pairs: C3H4R(78), C9H11R(268); C6H7(239), C9H11R(268); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C3H4R(78)+C6H7(239)<=>C9H11R(268) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #3833; RMG #3833 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H16(269); C6H9(114), C12H16(269); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +C6H7(239)+C6H9(114)<=>C12H16(269) 5.000000e+13 -0.000 0.000 + +! Reaction index: Chemkin #3834; RMG #3834 +! Library reaction: restart +! Flux pairs: C3H4R(78), C9H11R(270); C6H7(239), C9H11R(270); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C3H4R(78)+C6H7(239)<=>C9H11R(270) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #3835; RMG #3835 +! Library reaction: restart +! Flux pairs: C5H7(174), C11H14(271); C6H7(239), C11H14(271); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(174)+C6H7(239)<=>C11H14(271) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #3836; RMG #3836 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C11H15(256); C11H14(271), C11H15(256); +! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C11H14(271)<=>C11H15(256) 2.310000e+08 1.640 -0.470 + +! Reaction index: Chemkin #3837; RMG #3837 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(65)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 6.429 + +! Reaction index: Chemkin #3838; RMG #3838 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(69)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 6.429 + +! Reaction index: Chemkin #3839; RMG #3839 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(66)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #3840; RMG #3840 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(68)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #3841; RMG #3841 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(72)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 6.429 + +! Reaction index: Chemkin #3842; RMG #3842 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(73)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #3843; RMG #3843 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(71)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #3844; RMG #3844 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(67)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #3845; RMG #3845 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(70)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #3846; RMG #3846 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C10H20R(64), RC10(2); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20R(64)+C11H15(256)<=>RC10(2)+C11H14(271) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #3847; RMG #3847 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C10H20L(76), LC10(3); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20L(76)+C11H15(256)<=>LC10(3)+C11H14(271) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #3848; RMG #3848 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C11H15(256)<=>C3H5R(12)+C11H14(271) 1.225850e+27 -4.376 9.219 + +! Reaction index: Chemkin #3849; RMG #3849 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C11H15(256)<=>CC(C)L(13)+C11H14(271) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #3850; RMG #3850 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C11H15(256)<=>C6H11R(17)+C11H14(271) 1.225850e+27 -4.376 9.371 + +! Reaction index: Chemkin #3851; RMG #3851 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C11H15(256)<=>C3H6(18)+C11H14(271) 2.451710e+27 -4.376 8.460 + +! Reaction index: Chemkin #3852; RMG #3852 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C11H15(256)<=>CC(C)CR(20)+C11H14(271) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #3853; RMG #3853 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C11H15(256)<=>CR(22)+C11H14(271) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #3854; RMG #3854 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H14R(9)+C11H15(256)<=>CC(C)CC(C)CR(23)+C11H14(271) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #3855; RMG #3855 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C11H15(256)<=>C5H9L(24)+C11H14(271) 1.225850e+27 -4.376 9.371 + +! Reaction index: Chemkin #3856; RMG #3856 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H12L(11)+C11H15(256)<=>CC(C)CC(C)L(25)+C11H14(271) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #3857; RMG #3857 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C11H15(256)<=>CCL(26)+C11H14(271) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #3858; RMG #3858 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C11H15(256)<=>CCCR(27)+C11H14(271) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #3859; RMG #3859 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C11H15(256)<=>C6H11R(56)+C11H14(271) 1.225850e+27 -4.376 9.741 + +! Reaction index: Chemkin #3860; RMG #3860 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C11H15(256)<=>C6H11R(56)+C11H14(271) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #3861; RMG #3861 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C11H15(256)<=>C5H9L(57)+C11H14(271) 1.225850e+27 -4.376 9.741 + +! Reaction index: Chemkin #3862; RMG #3862 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C11H15(256)<=>C5H9L(57)+C11H14(271) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #3863; RMG #3863 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C11H15(256)<=>C3H5R(58)+C11H14(271) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #3864; RMG #3864 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C11H15(256)<=>C3H5L(59)+C11H14(271) 2.451710e+27 -4.376 8.429 + +! Reaction index: Chemkin #3865; RMG #3865 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C11H15(256)<=>C4H7R(60)+C11H14(271) 2.451710e+27 -4.376 8.429 + +! Reaction index: Chemkin #3866; RMG #3866 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C11H15(256)<=>C4H7R(60)+C11H14(271) 1.225850e+27 -4.376 9.219 + +! Reaction index: Chemkin #3867; RMG #3867 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H14L(112)+C11H15(256)<=>C8H15L(61)+C11H14(271) 1.225850e+27 -4.376 9.741 + +! Reaction index: Chemkin #3868; RMG #3868 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C11H15(256)<=>C7H13R(62)+C11H14(271) 1.225850e+27 -4.376 9.371 + +! Reaction index: Chemkin #3869; RMG #3869 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C11H15(256)<=>C6H11L(63)+C11H14(271) 1.225850e+27 -4.376 9.371 + +! Reaction index: Chemkin #3870; RMG #3870 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C11H15(256)<=>C(75)+C11H14(271) 1.225850e+27 -4.376 4.703 + +! Reaction index: Chemkin #3871; RMG #3871 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C11H15(256)<=>C4H7R(81)+C11H14(271) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #3872; RMG #3872 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C11H15(256)<=>[H][H](83)+C11H14(271) 1.225850e+27 -4.376 4.864 + +! Reaction index: Chemkin #3873; RMG #3873 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C11H15(256)<=>C5H9L(84)+C11H14(271) 1.225850e+27 -4.376 9.358 + +! Reaction index: Chemkin #3874; RMG #3874 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C11H15(256)<=>CCC(95)+C11H14(271) 1.225850e+27 -4.376 5.985 + +! Reaction index: Chemkin #3875; RMG #3875 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C11H15(256)<=>CCC(95)+C11H14(271) 1.225850e+27 -4.376 5.367 + +! Reaction index: Chemkin #3876; RMG #3876 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C11H15(256)<=>C6H11R(98)+C11H14(271) 1.225850e+27 -4.376 9.358 + +! Reaction index: Chemkin #3877; RMG #3877 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C11H15(256)<=>C6H11L(107)+C11H14(271) 1.225850e+27 -4.376 9.741 + +! Reaction index: Chemkin #3878; RMG #3878 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C11H15(256)<=>C6H11L(107)+C11H14(271) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #3879; RMG #3879 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C11H15(256)<=>C6H10(110)+C11H14(271) 1.225850e+27 -4.376 10.849 + +! Reaction index: Chemkin #3880; RMG #3880 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C11H15(256)<=>C6H10(116)+C11H14(271) 2.451710e+27 -4.376 10.059 + +! Reaction index: Chemkin #3881; RMG #3881 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C11H15(256)<=>C6H10(116)+C11H14(271) 1.225850e+27 -4.376 10.059 + +! Reaction index: Chemkin #3882; RMG #3882 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C11H15(256)<=>C7H13R(120)+C11H14(271) 1.225850e+27 -4.376 9.741 + +! Reaction index: Chemkin #3883; RMG #3883 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C11H15(256)<=>C7H13R(120)+C11H14(271) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #3884; RMG #3884 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C11H15(256)<=>C5H8(173)+C11H14(271) 2.451710e+27 -4.376 10.743 + +! Reaction index: Chemkin #3885; RMG #3885 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C11H15(256)<=>C3H5L(86)+C11H14(271) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #3886; RMG #3886 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H15(85)+C11H15(256)<=>CC(C)CC(C)C(87)+C11H14(271) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #3887; RMG #3887 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C11H15(256)<=>C6H8(118)+C11H14(271) 2.451710e+27 -4.376 9.335 + +! Reaction index: Chemkin #3888; RMG #3888 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H15(256)<=>C6H8(118)+C11H14(271) 1.225850e+27 -4.376 10.743 + +! Reaction index: Chemkin #3889; RMG #3889 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C11H15(256)<=>C6H8(125)+C11H14(271) 2.451710e+27 -4.376 9.433 + +! Reaction index: Chemkin #3890; RMG #3890 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C11H15(256)<=>C4H8(157)+C11H14(271) 2.451710e+27 -4.376 8.079 + +! Reaction index: Chemkin #3891; RMG #3891 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C11H15(256)<=>C5H8(180)+C11H14(271) 2.451710e+27 -4.376 10.059 + +! Reaction index: Chemkin #3892; RMG #3892 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C11H15(256)<=>C5H6(187)+C11H14(271) 6.129270e+27 -4.376 9.315 + +! Reaction index: Chemkin #3893; RMG #3893 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C11H15(256)<=>CCCC(C)L(16)+C11H14(271) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #3894; RMG #3894 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C11H15(256)<=>CCCC(C)CR(32)+C11H14(271) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #3895; RMG #3895 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C11H15(256)<=>CC(L)CC(C)L(35)+C11H14(271) 1.225850e+27 -4.376 6.429 + +! Reaction index: Chemkin #3896; RMG #3896 +! Library reaction: restart +! Flux pairs: C3H5(102), C9H12(272); C6H7(239), C9H12(272); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 2.0 +C3H5(102)+C6H7(239)<=>C9H12(272) 3.535860e+16 -1.003 0.000 + +! Reaction index: Chemkin #3897; RMG #3897 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C9H13(260); C9H12(272), C9H13(260); +! From training reaction 9 used for Cds-HH_Cds-CsH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C9H12(272)<=>C9H13(260) 3.360000e+08 1.560 0.600 + +! Reaction index: Chemkin #3898; RMG #3898 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C9H17LR(65)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 4.616 + +! Reaction index: Chemkin #3899; RMG #3899 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C9H17LR(69)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 4.616 + +! Reaction index: Chemkin #3900; RMG #3900 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C9H17LR(66)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #3901; RMG #3901 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C9H17LR(68)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #3902; RMG #3902 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C9H17LR(72)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 4.616 + +! Reaction index: Chemkin #3903; RMG #3903 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C9H17LR(73)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #3904; RMG #3904 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C9H17LR(71)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #3905; RMG #3905 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C9H17LR(67)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #3906; RMG #3906 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C9H17LR(70)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #3907; RMG #3907 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C10H20R(64)<=>C9H12(272)+RC10(2) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #3908; RMG #3908 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C10H20L(76)<=>C9H12(272)+LC10(3) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #3909; RMG #3909 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C9H13(260)<=>C3H5R(12)+C9H12(272) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #3910; RMG #3910 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C9H13(260)<=>CC(C)L(13)+C9H12(272) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #3911; RMG #3911 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C9H13(260)<=>CCCC(C)L(16)+C9H12(272) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #3912; RMG #3912 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C9H13(260)<=>C6H11R(17)+C9H12(272) 1.225850e+27 -4.376 7.050 + +! Reaction index: Chemkin #3913; RMG #3913 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C9H13(260)<=>C3H6(18)+C9H12(272) 2.451710e+27 -4.376 6.289 + +! Reaction index: Chemkin #3914; RMG #3914 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C9H13(260)<=>CC(C)CR(20)+C9H12(272) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #3915; RMG #3915 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C9H13(260)<=>CR(22)+C9H12(272) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #3916; RMG #3916 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H14R(9)+C9H13(260)<=>CC(C)CC(C)CR(23)+C9H12(272) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #3917; RMG #3917 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C9H13(260)<=>C5H9L(24)+C9H12(272) 1.225850e+27 -4.376 7.050 + +! Reaction index: Chemkin #3918; RMG #3918 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H12L(11)+C9H13(260)<=>CC(C)CC(C)L(25)+C9H12(272) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #3919; RMG #3919 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C9H13(260)<=>CCL(26)+C9H12(272) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #3920; RMG #3920 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C9H13(260)<=>CCCR(27)+C9H12(272) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #3921; RMG #3921 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C9H13(260)<=>CCCC(C)CR(32)+C9H12(272) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #3922; RMG #3922 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C9H13(260)<=>CC(L)CC(C)L(35)+C9H12(272) 1.225850e+27 -4.376 4.616 + +! Reaction index: Chemkin #3923; RMG #3923 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C11H15(256)<=>C8H17L(49)+C11H14(271) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #3924; RMG #3924 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C9H13(260)<=>C8H17L(49)+C9H12(272) 1.225850e+27 -4.376 4.274 + +! Reaction index: Chemkin #3925; RMG #3925 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C9H13(260)<=>C6H11R(56)+C9H12(272) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #3926; RMG #3926 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C9H13(260)<=>C6H11R(56)+C9H12(272) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #3927; RMG #3927 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C9H13(260)<=>C5H9L(57)+C9H12(272) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #3928; RMG #3928 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C9H13(260)<=>C5H9L(57)+C9H12(272) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #3929; RMG #3929 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C9H13(260)<=>C3H5R(58)+C9H12(272) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #3930; RMG #3930 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C9H13(260)<=>C3H5L(59)+C9H12(272) 2.451710e+27 -4.376 6.263 + +! Reaction index: Chemkin #3931; RMG #3931 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C9H13(260)<=>C4H7R(60)+C9H12(272) 2.451710e+27 -4.376 6.263 + +! Reaction index: Chemkin #3932; RMG #3932 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C9H13(260)<=>C4H7R(60)+C9H12(272) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #3933; RMG #3933 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H14L(112)+C9H13(260)<=>C8H15L(61)+C9H12(272) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #3934; RMG #3934 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C9H13(260)<=>C7H13R(62)+C9H12(272) 1.225850e+27 -4.376 7.050 + +! Reaction index: Chemkin #3935; RMG #3935 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C9H13(260)<=>C6H11L(63)+C9H12(272) 1.225850e+27 -4.376 7.050 + +! Reaction index: Chemkin #3936; RMG #3936 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C9H13(260)<=>C(75)+C9H12(272) 1.225850e+27 -4.376 3.228 + +! Reaction index: Chemkin #3937; RMG #3937 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C9H13(260)<=>C4H7R(81)+C9H12(272) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #3938; RMG #3938 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C9H13(260)<=>[H][H](83)+C9H12(272) 1.225850e+27 -4.376 3.356 + +! Reaction index: Chemkin #3939; RMG #3939 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C9H13(260)<=>C5H9L(84)+C9H12(272) 1.225850e+27 -4.376 7.038 + +! Reaction index: Chemkin #3940; RMG #3940 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C9H13(260)<=>C3H5L(86)+C9H12(272) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #3941; RMG #3941 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H15(85)+C9H13(260)<=>CC(C)CC(C)C(87)+C9H12(272) 1.225850e+27 -4.376 3.834 + +! Reaction index: Chemkin #3942; RMG #3942 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C9H13(260)<=>CCC(95)+C9H12(272) 1.225850e+27 -4.376 4.256 + +! Reaction index: Chemkin #3943; RMG #3943 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C9H13(260)<=>CCC(95)+C9H12(272) 1.225850e+27 -4.376 3.758 + +! Reaction index: Chemkin #3944; RMG #3944 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C9H13(260)<=>C6H11R(98)+C9H12(272) 1.225850e+27 -4.376 7.038 + +! Reaction index: Chemkin #3945; RMG #3945 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C9H13(260)<=>C6H11L(107)+C9H12(272) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #3946; RMG #3946 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C9H13(260)<=>C6H11L(107)+C9H12(272) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #3947; RMG #3947 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C9H13(260)<=>C6H10(110)+C9H12(272) 1.225850e+27 -4.376 8.296 + +! Reaction index: Chemkin #3948; RMG #3948 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C9H13(260)<=>C6H10(116)+C9H12(272) 2.451710e+27 -4.376 7.628 + +! Reaction index: Chemkin #3949; RMG #3949 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C9H13(260)<=>C6H10(116)+C9H12(272) 1.225850e+27 -4.376 7.628 + +! Reaction index: Chemkin #3950; RMG #3950 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C9H13(260)<=>C6H8(118)+C9H12(272) 2.451710e+27 -4.376 7.020 + +! Reaction index: Chemkin #3951; RMG #3951 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C9H13(260)<=>C6H8(118)+C9H12(272) 1.225850e+27 -4.376 8.206 + +! Reaction index: Chemkin #3952; RMG #3952 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C9H13(260)<=>C7H13R(120)+C9H12(272) 1.225850e+27 -4.376 7.361 + +! Reaction index: Chemkin #3953; RMG #3953 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C9H13(260)<=>C7H13R(120)+C9H12(272) 1.225850e+27 -4.376 6.263 + +! Reaction index: Chemkin #3954; RMG #3954 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C9H13(260)<=>C6H8(125)+C9H12(272) 2.451710e+27 -4.376 7.102 + +! Reaction index: Chemkin #3955; RMG #3955 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C9H13(260)<=>C4H8(157)+C9H12(272) 2.451710e+27 -4.376 5.972 + +! Reaction index: Chemkin #3956; RMG #3956 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C9H13(260)<=>C5H8(173)+C9H12(272) 2.451710e+27 -4.376 8.206 + +! Reaction index: Chemkin #3957; RMG #3957 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C10H13(202)<=>C9H12(272)+C10H14(179) 1.225850e+27 -4.376 7.689 + +! Reaction index: Chemkin #3958; RMG #3958 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C9H13(260)<=>C5H8(180)+C9H12(272) 2.451710e+27 -4.376 7.628 + +! Reaction index: Chemkin #3959; RMG #3959 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C9H13(260)<=>C5H6(187)+C9H12(272) 6.129270e+27 -4.376 7.003 + +! Reaction index: Chemkin #3960; RMG #3960 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C11H15(234)<=>C9H12(272)+C11H16(229) 1.225850e+27 -4.376 7.628 + +! Reaction index: Chemkin #3961; RMG #3961 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H16(273); C6H9(114), C12H16(273); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +C6H7(239)+C6H9(114)<=>C12H16(273) 5.000000e+13 -0.000 0.000 + +! Reaction index: Chemkin #3962; RMG #3962 +! Library reaction: restart +! Flux pairs: C5H7(178), C11H14(274); C6H7(239), C11H14(274); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +! Multiplied by reaction path degeneracy 2.0 +C5H7(178)+C6H7(239)<=>C11H14(274) 1.000000e+14 -0.000 0.000 + +! Reaction index: Chemkin #3963; RMG #3963 +! Library reaction: restart +! Flux pairs: C3H5(102), C9H12(275); C6H7(239), C9H12(275); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 2.0 +C3H5(102)+C6H7(239)<=>C9H12(275) 3.535860e+16 -1.003 0.000 + +! Reaction index: Chemkin #3964; RMG #3964 +! Library reaction: restart +! Flux pairs: C5H7(178), C11H14(276); C6H7(239), C11H14(276); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +! Multiplied by reaction path degeneracy 2.0 +C5H7(178)+C6H7(239)<=>C11H14(276) 1.000000e+14 -0.000 0.000 + +! Reaction index: Chemkin #3965; RMG #3965 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H14(277); C6H7(239), C12H14(277); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R +C6H7(239)+C6H7(239)<=>C12H14(277) 1.815520e+13 -0.118 0.000 + +! Reaction index: Chemkin #3966; RMG #3966 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C11H15(226); C11H14(278), C11H15(226); +! From training reaction 2545 used for Cds-HH_Cds-CdCs;HJ +! Exact match found for rate rule [Cds-HH_Cds-CdCs;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C11H14(278)<=>C11H15(226) 2.580000e+08 1.640 -0.720 + +! Reaction index: Chemkin #3967; RMG #3967 +! Library reaction: restart +! Flux pairs: C5H7(174), C11H14(278); C6H7(239), C11H14(278); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C5H7(174)+C6H7(239)<=>C11H14(278) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #3968; RMG #3968 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(65)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 7.382 + +! Reaction index: Chemkin #3969; RMG #3969 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(69)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 7.382 + +! Reaction index: Chemkin #3970; RMG #3970 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(66)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #3971; RMG #3971 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(68)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #3972; RMG #3972 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(72)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 7.382 + +! Reaction index: Chemkin #3973; RMG #3973 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(73)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #3974; RMG #3974 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(71)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #3975; RMG #3975 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(67)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #3976; RMG #3976 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(70)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #3977; RMG #3977 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C10H20R(64), RC10(2); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20R(64)+C11H15(226)<=>RC10(2)+C11H14(278) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #3978; RMG #3978 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C10H20L(76), LC10(3); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20L(76)+C11H15(226)<=>LC10(3)+C11H14(278) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #3979; RMG #3979 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C11H15(226)<=>C3H5R(12)+C11H14(278) 1.225850e+27 -4.376 10.403 + +! Reaction index: Chemkin #3980; RMG #3980 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C11H15(226)<=>CC(C)L(13)+C11H14(278) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #3981; RMG #3981 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C11H15(226)<=>C6H11R(17)+C11H14(278) 1.225850e+27 -4.376 10.568 + +! Reaction index: Chemkin #3982; RMG #3982 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C11H15(226)<=>C3H6(18)+C11H14(278) 2.451710e+27 -4.376 9.585 + +! Reaction index: Chemkin #3983; RMG #3983 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C11H15(226)<=>CC(C)CR(20)+C11H14(278) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #3984; RMG #3984 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C11H15(226)<=>CR(22)+C11H14(278) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #3985; RMG #3985 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C11H15(226)<=>C5H9L(24)+C11H14(278) 1.225850e+27 -4.376 10.568 + +! Reaction index: Chemkin #3986; RMG #3986 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H12L(11)+C11H15(226)<=>CC(C)CC(C)L(25)+C11H14(278) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #3987; RMG #3987 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C11H15(226)<=>CCL(26)+C11H14(278) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #3988; RMG #3988 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C11H15(226)<=>CCCR(27)+C11H14(278) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #3989; RMG #3989 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C11H15(226)<=>C6H11R(56)+C11H14(278) 1.225850e+27 -4.376 10.966 + +! Reaction index: Chemkin #3990; RMG #3990 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C11H15(226)<=>C6H11R(56)+C11H14(278) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #3991; RMG #3991 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C11H15(226)<=>C5H9L(57)+C11H14(278) 1.225850e+27 -4.376 10.966 + +! Reaction index: Chemkin #3992; RMG #3992 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C11H15(226)<=>C5H9L(57)+C11H14(278) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #3993; RMG #3993 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C11H15(226)<=>C3H5R(58)+C11H14(278) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #3994; RMG #3994 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C11H15(226)<=>C3H5L(59)+C11H14(278) 2.451710e+27 -4.376 9.551 + +! Reaction index: Chemkin #3995; RMG #3995 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C11H15(226)<=>C4H7R(60)+C11H14(278) 2.451710e+27 -4.376 9.551 + +! Reaction index: Chemkin #3996; RMG #3996 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C11H15(226)<=>C4H7R(60)+C11H14(278) 1.225850e+27 -4.376 10.403 + +! Reaction index: Chemkin #3997; RMG #3997 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H14L(112)+C11H15(226)<=>C8H15L(61)+C11H14(278) 1.225850e+27 -4.376 10.966 + +! Reaction index: Chemkin #3998; RMG #3998 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C11H15(226)<=>C7H13R(62)+C11H14(278) 1.225850e+27 -4.376 10.568 + +! Reaction index: Chemkin #3999; RMG #3999 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C11H15(226)<=>C6H11L(63)+C11H14(278) 1.225850e+27 -4.376 10.568 + +! Reaction index: Chemkin #4000; RMG #4000 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C11H15(226)<=>C(75)+C11H14(278) 1.225850e+27 -4.376 5.492 + +! Reaction index: Chemkin #4001; RMG #4001 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C11H15(226)<=>C4H7R(81)+C11H14(278) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #4002; RMG #4002 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C11H15(226)<=>[H][H](83)+C11H14(278) 1.225850e+27 -4.376 5.669 + +! Reaction index: Chemkin #4003; RMG #4003 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C11H15(226)<=>C5H9L(84)+C11H14(278) 1.225850e+27 -4.376 10.553 + +! Reaction index: Chemkin #4004; RMG #4004 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C11H15(226)<=>C3H5L(86)+C11H14(278) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #4005; RMG #4005 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C11H15(226)<=>CCC(95)+C11H14(278) 1.225850e+27 -4.376 6.898 + +! Reaction index: Chemkin #4006; RMG #4006 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C11H15(226)<=>CCC(95)+C11H14(278) 1.225850e+27 -4.376 6.222 + +! Reaction index: Chemkin #4007; RMG #4007 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C11H15(226)<=>C6H11R(98)+C11H14(278) 1.225850e+27 -4.376 10.553 + +! Reaction index: Chemkin #4008; RMG #4008 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C11H15(226)<=>C6H11L(107)+C11H14(278) 1.225850e+27 -4.376 10.966 + +! Reaction index: Chemkin #4009; RMG #4009 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C11H15(226)<=>C6H11L(107)+C11H14(278) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #4010; RMG #4010 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C11H15(226)<=>C6H10(110)+C11H14(278) 1.225850e+27 -4.376 12.156 + +! Reaction index: Chemkin #4011; RMG #4011 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C11H15(226)<=>C6H10(116)+C11H14(278) 2.451710e+27 -4.376 11.307 + +! Reaction index: Chemkin #4012; RMG #4012 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C11H15(226)<=>C6H10(116)+C11H14(278) 1.225850e+27 -4.376 11.307 + +! Reaction index: Chemkin #4013; RMG #4013 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C11H15(226)<=>C6H8(118)+C11H14(278) 2.451710e+27 -4.376 10.529 + +! Reaction index: Chemkin #4014; RMG #4014 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H15(226)<=>C6H8(118)+C11H14(278) 1.225850e+27 -4.376 12.042 + +! Reaction index: Chemkin #4015; RMG #4015 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C11H15(226)<=>C7H13R(120)+C11H14(278) 1.225850e+27 -4.376 10.966 + +! Reaction index: Chemkin #4016; RMG #4016 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C11H15(226)<=>C7H13R(120)+C11H14(278) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #4017; RMG #4017 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C11H15(226)<=>C6H8(125)+C11H14(278) 2.451710e+27 -4.376 10.634 + +! Reaction index: Chemkin #4018; RMG #4018 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C11H15(226)<=>C4H8(157)+C11H14(278) 2.451710e+27 -4.376 9.173 + +! Reaction index: Chemkin #4019; RMG #4019 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C11H15(226)<=>C5H8(173)+C11H14(278) 2.451710e+27 -4.376 12.042 + +! Reaction index: Chemkin #4020; RMG #4020 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C11H15(226)<=>C5H8(180)+C11H14(278) 2.451710e+27 -4.376 11.307 + +! Reaction index: Chemkin #4021; RMG #4021 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C11H15(226)<=>C5H6(187)+C11H14(278) 6.129270e+27 -4.376 10.507 + +! Reaction index: Chemkin #4022; RMG #4022 +! Library reaction: restart +! Flux pairs: C5H7(174), C11H14(279); C6H7(239), C11H14(279); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C5H7(174)+C6H7(239)<=>C11H14(279) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #4023; RMG #4023 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H16(280); C6H9(114), C12H16(280); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +C6H7(239)+C6H9(114)<=>C12H16(280) 5.000000e+13 -0.000 0.000 + +! Reaction index: Chemkin #4024; RMG #4024 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C11H15(226)<=>CCCC(C)L(16)+C11H14(278) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #4025; RMG #4025 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H14R(9)+C11H15(226)<=>CC(C)CC(C)CR(23)+C11H14(278) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #4026; RMG #4026 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C11H15(226)<=>CCCC(C)CR(32)+C11H14(278) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #4027; RMG #4027 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C11H15(226)<=>CC(L)CC(C)L(35)+C11H14(278) 1.225850e+27 -4.376 7.382 + +! Reaction index: Chemkin #4028; RMG #4028 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C11H15(226)<=>C8H17L(49)+C11H14(278) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #4029; RMG #4029 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H15(85)+C11H15(226)<=>CC(C)CC(C)C(87)+C11H14(278) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #4030; RMG #4030 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C10H13(202), C10H14(179); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H13(202)+C11H15(256)<=>C10H14(179)+C11H14(271) 1.225850e+27 -4.376 10.132 + +! Reaction index: Chemkin #4031; RMG #4031 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H16(229); C11H15(234), C11H14(271); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H15(234)+C11H15(256)<=>C11H14(271)+C11H16(229) 1.225850e+27 -4.376 10.059 + +! Reaction index: Chemkin #4032; RMG #4032 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C6H7(239), C13H20R(281); C7H13R(62), C13H20R(281); +! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C6H7(239)+C7H13R(62)<=>C13H20R(281) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #4033; RMG #4033 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H5L(91), C10H12L(282); C6H7(239), C10H12L(282); +! From training reaction 278 used for Cds-HH_Cds-CdH;CsJ-CdCsH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C4H5L(91)+C6H7(239)<=>C10H12L(282) 4.330000e+03 2.410 8.570 + +! Reaction index: Chemkin #4034; RMG #4034 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C6H7(239), C12H15(283); C6H8(118), C12H15(283); +! From training reaction 50 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH +! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C6H7(239)+C6H8(118)<=>C12H15(283) 2.880000e+01 2.740 3.300 + +! Reaction index: Chemkin #4035; RMG #4035 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(65)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 7.382 + +! Reaction index: Chemkin #4036; RMG #4036 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(69)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 7.382 + +! Reaction index: Chemkin #4037; RMG #4037 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(66)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #4038; RMG #4038 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(68)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #4039; RMG #4039 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(72)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 7.382 + +! Reaction index: Chemkin #4040; RMG #4040 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(73)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #4041; RMG #4041 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(71)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #4042; RMG #4042 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(67)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #4043; RMG #4043 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(70)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #4044; RMG #4044 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C10H20R(64), RC10(2); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20R(64)+C12H15(283)<=>RC10(2)+C12H14(244) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #4045; RMG #4045 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C10H20L(76), LC10(3); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20L(76)+C12H15(283)<=>LC10(3)+C12H14(244) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #4046; RMG #4046 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C12H15(283)<=>C3H5R(12)+C12H14(244) 1.225850e+27 -4.376 10.403 + +! Reaction index: Chemkin #4047; RMG #4047 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C12H15(283)<=>CC(C)L(13)+C12H14(244) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #4048; RMG #4048 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C12H15(283)<=>CCCC(C)L(16)+C12H14(244) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #4049; RMG #4049 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C12H15(283)<=>C6H11R(17)+C12H14(244) 1.225850e+27 -4.376 10.568 + +! Reaction index: Chemkin #4050; RMG #4050 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C12H15(283)<=>C3H6(18)+C12H14(244) 2.451710e+27 -4.376 9.585 + +! Reaction index: Chemkin #4051; RMG #4051 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C12H15(283)<=>CC(C)CR(20)+C12H14(244) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #4052; RMG #4052 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C12H15(283)<=>CR(22)+C12H14(244) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #4053; RMG #4053 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H14R(9)+C12H15(283)<=>CC(C)CC(C)CR(23)+C12H14(244) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #4054; RMG #4054 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C12H15(283)<=>C5H9L(24)+C12H14(244) 1.225850e+27 -4.376 10.568 + +! Reaction index: Chemkin #4055; RMG #4055 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H12L(11)+C12H15(283)<=>CC(C)CC(C)L(25)+C12H14(244) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #4056; RMG #4056 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C12H15(283)<=>CCL(26)+C12H14(244) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #4057; RMG #4057 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C12H15(283)<=>CCCR(27)+C12H14(244) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #4058; RMG #4058 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C12H15(283)<=>CCCC(C)CR(32)+C12H14(244) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #4059; RMG #4059 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C12H15(283)<=>CC(L)CC(C)L(35)+C12H14(244) 1.225850e+27 -4.376 7.382 + +! Reaction index: Chemkin #4060; RMG #4060 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C12H15(283)<=>C8H17L(49)+C12H14(244) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #4061; RMG #4061 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C12H15(283)<=>C6H11R(56)+C12H14(244) 1.225850e+27 -4.376 10.966 + +! Reaction index: Chemkin #4062; RMG #4062 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C12H15(283)<=>C6H11R(56)+C12H14(244) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #4063; RMG #4063 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C12H15(283)<=>C5H9L(57)+C12H14(244) 1.225850e+27 -4.376 10.966 + +! Reaction index: Chemkin #4064; RMG #4064 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C12H15(283)<=>C5H9L(57)+C12H14(244) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #4065; RMG #4065 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C12H15(283)<=>C3H5R(58)+C12H14(244) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #4066; RMG #4066 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C12H15(283)<=>C3H5L(59)+C12H14(244) 2.451710e+27 -4.376 9.551 + +! Reaction index: Chemkin #4067; RMG #4067 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C12H15(283)<=>C4H7R(60)+C12H14(244) 2.451710e+27 -4.376 9.551 + +! Reaction index: Chemkin #4068; RMG #4068 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C12H15(283)<=>C4H7R(60)+C12H14(244) 1.225850e+27 -4.376 10.403 + +! Reaction index: Chemkin #4069; RMG #4069 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H14L(112)+C12H15(283)<=>C8H15L(61)+C12H14(244) 1.225850e+27 -4.376 10.966 + +! Reaction index: Chemkin #4070; RMG #4070 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C12H15(283)<=>C7H13R(62)+C12H14(244) 1.225850e+27 -4.376 10.568 + +! Reaction index: Chemkin #4071; RMG #4071 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C12H15(283)<=>C6H11L(63)+C12H14(244) 1.225850e+27 -4.376 10.568 + +! Reaction index: Chemkin #4072; RMG #4072 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C12H15(283)<=>C(75)+C12H14(244) 1.225850e+27 -4.376 5.492 + +! Reaction index: Chemkin #4073; RMG #4073 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C12H15(283)<=>C4H7R(81)+C12H14(244) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #4074; RMG #4074 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C12H15(283)<=>[H][H](83)+C12H14(244) 1.225850e+27 -4.376 5.669 + +! Reaction index: Chemkin #4075; RMG #4075 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C12H15(283)<=>C5H9L(84)+C12H14(244) 1.225850e+27 -4.376 10.553 + +! Reaction index: Chemkin #4076; RMG #4076 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C12H15(283)<=>C3H5L(86)+C12H14(244) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #4077; RMG #4077 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H15(85)+C12H15(283)<=>CC(C)CC(C)C(87)+C12H14(244) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #4078; RMG #4078 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C12H15(283)<=>CCC(95)+C12H14(244) 1.225850e+27 -4.376 6.898 + +! Reaction index: Chemkin #4079; RMG #4079 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C12H15(283)<=>CCC(95)+C12H14(244) 1.225850e+27 -4.376 6.222 + +! Reaction index: Chemkin #4080; RMG #4080 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C12H15(283)<=>C6H11R(98)+C12H14(244) 1.225850e+27 -4.376 10.553 + +! Reaction index: Chemkin #4081; RMG #4081 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C12H15(283)<=>C6H11L(107)+C12H14(244) 1.225850e+27 -4.376 10.966 + +! Reaction index: Chemkin #4082; RMG #4082 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C12H15(283)<=>C6H11L(107)+C12H14(244) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #4083; RMG #4083 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C12H15(283)<=>C6H10(110)+C12H14(244) 1.225850e+27 -4.376 12.156 + +! Reaction index: Chemkin #4084; RMG #4084 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C12H15(283)<=>C6H10(116)+C12H14(244) 2.451710e+27 -4.376 11.307 + +! Reaction index: Chemkin #4085; RMG #4085 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C12H15(283)<=>C6H10(116)+C12H14(244) 1.225850e+27 -4.376 11.307 + +! Reaction index: Chemkin #4086; RMG #4086 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C12H15(283)<=>C6H8(118)+C12H14(244) 2.451710e+27 -4.376 10.529 + +! Reaction index: Chemkin #4087; RMG #4087 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C12H15(283)<=>C6H8(118)+C12H14(244) 1.225850e+27 -4.376 12.042 + +! Reaction index: Chemkin #4088; RMG #4088 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C12H15(283)<=>C7H13R(120)+C12H14(244) 1.225850e+27 -4.376 10.966 + +! Reaction index: Chemkin #4089; RMG #4089 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C12H15(283)<=>C7H13R(120)+C12H14(244) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #4090; RMG #4090 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C12H15(283)<=>C6H8(125)+C12H14(244) 2.451710e+27 -4.376 10.634 + +! Reaction index: Chemkin #4091; RMG #4091 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C12H15(283)<=>C4H8(157)+C12H14(244) 2.451710e+27 -4.376 9.173 + +! Reaction index: Chemkin #4092; RMG #4092 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C12H15(283)<=>C5H8(173)+C12H14(244) 2.451710e+27 -4.376 12.042 + +! Reaction index: Chemkin #4093; RMG #4093 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C12H15(283)<=>C5H8(180)+C12H14(244) 2.451710e+27 -4.376 11.307 + +! Reaction index: Chemkin #4094; RMG #4094 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C12H15(283)<=>C5H6(187)+C12H14(244) 6.129270e+27 -4.376 10.507 + +! Reaction index: Chemkin #4095; RMG #4095 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C12H15(283); C12H14(244), C12H15(283); +! From training reaction 2545 used for Cds-HH_Cds-CdCs;HJ +! Exact match found for rate rule [Cds-HH_Cds-CdCs;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C12H14(244)<=>C12H15(283) 2.580000e+08 1.640 -0.720 + +! Reaction index: Chemkin #4096; RMG #4096 +! Library reaction: restart +! Flux pairs: C5H5(189), C11H12(284); C6H7(239), C11H12(284); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +! Multiplied by reaction path degeneracy 5.0 +C5H5(189)+C6H7(239)<=>C11H12(284) 2.500000e+14 -0.000 0.000 + +! Reaction index: Chemkin #4097; RMG #4097 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C6H10R(90); C6H9R(285), C6H10R(90); +! From training reaction 2558 used for Cds-CsH_Cds-CdCs;HJ +! Exact match found for rate rule [Cds-CsH_Cds-CdCs;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C6H9R(285)<=>C6H10R(90) 1.520000e+08 1.640 0.140 + +! Reaction index: Chemkin #4098; RMG #4098 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C6H10R(90)<=>C5H9L(57)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4099; RMG #4099 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C6H10R(90)<=>C5H9L(84)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4100; RMG #4100 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C6H10R(90)<=>C3H5R(12)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4101; RMG #4101 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C6H10R(90)<=>C3H5R(58)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4102; RMG #4102 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C6H10R(90)<=>C4H7R(60)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4103; RMG #4103 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C6H10R(90)<=>C4H7R(81)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4104; RMG #4104 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C6H10R(90)<=>C5H9L(24)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4105; RMG #4105 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C6H10R(90)<=>C5H9L(57)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4106; RMG #4106 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C6H10R(90)<=>C6H9R(285)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4107; RMG #4107 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C6H10R(90)<=>C6H9R(285)+C6H11R(98) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4108; RMG #4108 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C6H10R(90)<=>C3H6(18)+C6H9R(285) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4109; RMG #4109 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11L(63); C6H10L(103), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C6H10R(90)<=>C6H9R(285)+C6H11L(63) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4110; RMG #4110 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11L(107); C6H10L(103), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C6H10R(90)<=>C6H9R(285)+C6H11L(107) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4111; RMG #4111 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C7H12R(108)<=>C6H9R(285)+C7H13R(62) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4112; RMG #4112 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C7H12R(108)<=>C6H9R(285)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4113; RMG #4113 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H10(110); C6H9(113), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(113)+C6H10R(90)<=>C6H9R(285)+C6H10(110) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4114; RMG #4114 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H10(116); C6H9(114), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H10R(90)<=>C6H9R(285)+C6H10(116) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4115; RMG #4115 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C6H10R(90)<=>C3H5L(59)+C6H9R(285) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4116; RMG #4116 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H7(156)+C6H10R(90)<=>C4H8(157)+C6H9R(285) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4117; RMG #4117 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C6H10R(90)<=>C5H8(173)+C6H9R(285) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4118; RMG #4118 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H10R(90)<=>C5H8(180)+C6H9R(285) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4119; RMG #4119 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H10R(90)<=>C6H8(118)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4120; RMG #4120 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C9H17LR(65)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4121; RMG #4121 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C9H17LR(69)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4122; RMG #4122 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C9H17LR(66)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4123; RMG #4123 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C9H17LR(68)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4124; RMG #4124 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C9H17LR(72)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4125; RMG #4125 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C9H17LR(73)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4126; RMG #4126 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C9H17LR(71)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4127; RMG #4127 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C9H17LR(67)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4128; RMG #4128 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C9H17LR(70)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4129; RMG #4129 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C10H20R(64)<=>C6H9R(285)+RC10(2) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4130; RMG #4130 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C10H20L(76)<=>C6H9R(285)+LC10(3) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4131; RMG #4131 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C6H10R(90)<=>CC(C)L(13)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4132; RMG #4132 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H10R(90)<=>CCCC(C)L(16)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4133; RMG #4133 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(17); C6H10R(171), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C6H10R(90)<=>C6H9R(285)+C6H11R(17) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4134; RMG #4134 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C6H10R(90)<=>CC(C)CR(20)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4135; RMG #4135 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C6H10R(90)<=>CR(22)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4136; RMG #4136 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C7H14R(9)<=>C6H9R(285)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4137; RMG #4137 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C6H12L(11)<=>C6H9R(285)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4138; RMG #4138 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C6H10R(90)<=>CCL(26)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4139; RMG #4139 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H10R(90)<=>CCCR(27)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4140; RMG #4140 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C[CH]CC(C)CR(5)<=>C6H9R(285)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4141; RMG #4141 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9L2(203)+C6H10R(90)<=>CC(L)CC(C)L(35)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4142; RMG #4142 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C8H16L(15)<=>C6H9R(285)+C8H17L(49) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4143; RMG #4143 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); C6H10R(171), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C6H10R(90)<=>C6H9R(285)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4144; RMG #4144 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(224)+C6H10R(90)<=>C4H7R(60)+C6H9R(285) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4145; RMG #4145 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C8H14L(112)<=>C6H9R(285)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4146; RMG #4146 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C6H10R(90)<=>C(75)+C6H9R(285) 1.150000e+13 -0.320 0.000 +DUPLICATE + +! Reaction index: Chemkin #4147; RMG #4147 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(74)+C6H10R(90)<=>C(75)+C6H9R(285) 9.124700e+12 -0.160 0.000 +DUPLICATE + +! Reaction index: Chemkin #4148; RMG #4148 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C6H10R(90)<=>[H][H](83)+C6H9R(285) 1.191690e+10 0.568 0.000 + +! Reaction index: Chemkin #4149; RMG #4149 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C6H10R(90)<=>C3H5L(86)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4150; RMG #4150 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C7H15(85)<=>C6H9R(285)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4151; RMG #4151 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]C(94)+C6H10R(90)<=>CCC(95)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4152; RMG #4152 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H10R(90)<=>CCC(95)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4153; RMG #4153 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C6H10L(169)<=>C6H9R(285)+C6H11L(107) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4154; RMG #4154 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H10(116); C6H9(160), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C6H10R(90)<=>C6H9R(285)+C6H10(116) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4155; RMG #4155 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C6H10R(90)<=>C6H8(118)+C6H9R(285) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4156; RMG #4156 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C7H12R(199)<=>C6H9R(285)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4157; RMG #4157 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C6H10R(90)<=>C6H8(125)+C6H9R(285) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4158; RMG #4158 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C10H13(202)<=>C6H9R(285)+C10H14(179) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4159; RMG #4159 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C5H5(189)+C6H10R(90)<=>C5H6(187)+C6H9R(285) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #4160; RMG #4160 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C11H15(234)<=>C6H9R(285)+C11H16(229) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4161; RMG #4161 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CH3(74), C7H12R(286); C6H9R(285), C7H12R(286); +! From training reaction 94 used for Cds-CsH_Cds-CdCs;CsJ-HHH +! Exact match found for rate rule [Cds-CsH_Cds-CdCs;CsJ-HHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +CH3(74)+C6H9R(285)<=>C7H12R(286) 1.079950e+05 2.652 -2.017 + +! Reaction index: Chemkin #4162; RMG #4162 +! Library reaction: restart +! Flux pairs: H(82), C6H9R(285); C6H8R(287), C6H9R(285); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- +! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing +H(82)+C6H8R(287)<=>C6H9R(285) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #4163; RMG #4163 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H9R(285)<=>CC(C)CR(20)+C6H8R(287) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #4164; RMG #4164 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]CR(10)+C6H9R(285)<=>CCCR(27)+C6H8R(287) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #4165; RMG #4165 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C[CH]CC(C)CR(5)<=>C6H8R(287)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #4166; RMG #4166 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H9R(285)<=>CC(C)L(13)+C6H8R(287) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #4167; RMG #4167 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C7H14R(9)<=>C6H8R(287)+CC(C)CC(C)CR(23) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #4168; RMG #4168 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H9R(285)<=>CCCC(C)L(16)+C6H8R(287) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #4169; RMG #4169 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]L(8)+C6H9R(285)<=>CCL(26)+C6H8R(287) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #4170; RMG #4170 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C6H12L(11)<=>C6H8R(287)+CC(C)CC(C)L(25) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #4171; RMG #4171 +! Library reaction: restart +! Flux pairs: C6H8R(287), C6H9R(285); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H8R(287)<=>C3H5R(12)+C6H9R(285) 1.225850e+27 -4.376 8.206 + +! Reaction index: Chemkin #4172; RMG #4172 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]R(14)+C6H9R(285)<=>CR(22)+C6H8R(287) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #4173; RMG #4173 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C[CH]CC(C)CR(5)<=>C6H9R(285)+C6H11R(17) 1.225850e+27 -4.376 8.002 + +! Reaction index: Chemkin #4174; RMG #4174 +! Library reaction: restart +! Flux pairs: C6H8R(287), C6H9R(285); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H8R(287)<=>C3H6(18)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4175; RMG #4175 +! Library reaction: restart +! Flux pairs: C6H8R(287), C6H9R(285); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C6H8R(287)<=>C3H6(18)+C6H9R(285) 2.451710e+27 -4.376 8.092 + +! Reaction index: Chemkin #4176; RMG #4176 +! Library reaction: restart +! Flux pairs: C6H8R(287), C6H9R(285); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H8R(287)<=>C2H3L(19)+C6H9R(285) 1.225850e+27 -4.376 8.206 + +! Reaction index: Chemkin #4177; RMG #4177 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C8H16L(15)<=>C6H9R(285)+C8H15L(21) 1.225850e+27 -4.376 8.002 + +! Reaction index: Chemkin #4178; RMG #4178 +! Library reaction: restart +! Flux pairs: C6H8R(287), C6H9R(285); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H8R(287)<=>C5H9L(24)+C6H9R(285) 1.225850e+27 -4.376 8.002 + +! Reaction index: Chemkin #4179; RMG #4179 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C[CH]CC(C)CR(5)<=>C6H9R(285)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4180; RMG #4180 +! Library reaction: restart +! Flux pairs: C6H8R(287), C6H9R(285); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H8R(287)<=>C5H9L(57)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4181; RMG #4181 +! Library reaction: restart +! Flux pairs: C6H8R(287), C6H9R(285); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H8R(287)<=>C3H5R(58)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4182; RMG #4182 +! Library reaction: restart +! Flux pairs: C6H8R(287), C6H9R(285); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C6H8R(287)<=>C3H5L(59)+C6H9R(285) 7.830000e+11 0.000 0.211 + +! Reaction index: Chemkin #4183; RMG #4183 +! Library reaction: restart +! Flux pairs: C6H8R(287), C6H9R(285); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+C6H8R(287)<=>C4H7R(60)+C6H9R(285) 7.830000e+11 0.000 0.211 + +! Reaction index: Chemkin #4184; RMG #4184 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C8H16L(15)<=>C6H9R(285)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4185; RMG #4185 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H8R(287)+C7H14R(9)<=>C6H9R(285)+C7H13R(62) 7.830000e+11 0.000 0.172 + +! Reaction index: Chemkin #4186; RMG #4186 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H8R(287)+C6H12L(11)<=>C6H9R(285)+C6H11L(63) 7.830000e+11 0.000 0.172 + +! Reaction index: Chemkin #4187; RMG #4187 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C9H17LR(66)<=>C6H8R(287)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #4188; RMG #4188 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C9H17LR(67)<=>C6H8R(287)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #4189; RMG #4189 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C9H17LR(68)<=>C6H8R(287)+RC10L(1) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #4190; RMG #4190 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C9H17LR(70)<=>C6H8R(287)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #4191; RMG #4191 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C9H17LR(71)<=>C6H8R(287)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #4192; RMG #4192 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C9H17LR(73)<=>C6H8R(287)+RC10L(1) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #4193; RMG #4193 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(285); C(75), CH3(74); +! From training reaction 829 used for C_methane;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C_methane;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C6H8R(287)<=>CH3(74)+C6H9R(285) 5.600000e-02 4.340 25.080 + +! Reaction index: Chemkin #4194; RMG #4194 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(285); C5H9L(57), C5H8L(77); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C6H8R(287)<=>C5H8L(77)+C6H9R(285) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4195; RMG #4195 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); C5H8L(77), C5H9L(84); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8L(77)+C6H9R(285)<=>C5H9L(84)+C6H8R(287) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #4196; RMG #4196 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); C3H4R(78), C3H5R(12); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4R(78)+C6H9R(285)<=>C3H5R(12)+C6H8R(287) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #4197; RMG #4197 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4R(78)+C6H9R(285)<=>C3H5R(58)+C6H8R(287) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #4198; RMG #4198 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); C4H6R(79), C4H7R(60); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H6R(79)+C6H9R(285)<=>C4H7R(60)+C6H8R(287) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #4199; RMG #4199 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H6R(79)+C6H9R(285)<=>C4H7R(81)+C6H8R(287) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #4200; RMG #4200 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); C5H8L(89), C5H9L(24); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8L(89)+C6H9R(285)<=>C5H9L(24)+C6H8R(287) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #4201; RMG #4201 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); C5H8L(89), C5H9L(57); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8L(89)+C6H9R(285)<=>C5H9L(57)+C6H8R(287) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #4202; RMG #4202 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C6H8R(287), C6H9R(285); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+C6H11R(56)<=>C6H9R(285)+C6H10R(90) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4203; RMG #4203 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C6H10R(90)<=>C6H8R(287)+C6H11R(98) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #4204; RMG #4204 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(285); CCC(95), C[CH]C(94); +! From training reaction 913 used for C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C6H8R(287)<=>C[CH]C(94)+C6H9R(285) 2.920000e-02 4.340 18.555 + +! Reaction index: Chemkin #4205; RMG #4205 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(285); C3H6(18), C3H5(102); +! From training reaction 3027 used for C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C6H8R(287)<=>C3H5(102)+C6H9R(285) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #4206; RMG #4206 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C6H10L(103)<=>C6H8R(287)+C6H11L(63) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #4207; RMG #4207 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(107); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C6H10L(103)<=>C6H8R(287)+C6H11L(107) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #4208; RMG #4208 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C7H12R(108)<=>C6H8R(287)+C7H13R(62) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #4209; RMG #4209 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C7H12R(108)<=>C6H8R(287)+C7H13R(120) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #4210; RMG #4210 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C6H8R(287), C6H9R(285); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+C8H15L(61)<=>C6H9R(285)+C8H14L(112) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4211; RMG #4211 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C6H8R(287), C6H9R(285); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8R(287)+C6H10(110)<=>C6H9R(285)+C6H9(113) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #4212; RMG #4212 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(114), C6H10(116); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C6H9(114)<=>C6H8R(287)+C6H10(116) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #4213; RMG #4213 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H9R(285); C6H8R(287), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C6H9(114)<=>C6H8(118)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4214; RMG #4214 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H9R(285); C6H8R(287), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C6H9(114)<=>C6H8(125)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4215; RMG #4215 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H9R(285); C6H8R(287), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H8R(287)+C6H9(160)<=>C6H8(125)+C6H9R(285) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4216; RMG #4216 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H4L(147)+C6H9R(285)<=>C3H5L(59)+C6H8R(287) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #4217; RMG #4217 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); C4H7(156), C4H8(157); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7(156)+C6H9R(285)<=>C4H8(157)+C6H8R(287) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #4218; RMG #4218 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H10(116); C6H9(160), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C6H9(160)+C6H9R(285)<=>C6H8R(287)+C6H10(116) 5.382000e-03 4.340 14.300 + +! Reaction index: Chemkin #4219; RMG #4219 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C6H8R(287), C6H9R(285); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+C6H11L(107)<=>C6H9R(285)+C6H10L(169) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4220; RMG #4220 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C6H10R(171)<=>C6H8R(287)+C6H11R(17) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #4221; RMG #4221 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C6H10R(171)<=>C6H8R(287)+C6H11R(56) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #4222; RMG #4222 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(285); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C6H8R(287)<=>C5H7(174)+C6H9R(285) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #4223; RMG #4223 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); C5H7(178), C5H8(180); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C5H7(178)+C6H9R(285)<=>C5H8(180)+C6H8R(287) 5.382000e-03 4.340 14.300 + +! Reaction index: Chemkin #4224; RMG #4224 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C10H15(183)<=>C6H9R(285)+C10H14(184) 1.225850e+27 -4.376 10.743 + +! Reaction index: Chemkin #4225; RMG #4225 +! Library reaction: restart +! Flux pairs: C6H8R(287), C6H9R(285); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H8R(287)<=>C5H6(187)+C6H9R(285) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4226; RMG #4226 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(285); C5H6(187), C5H5(189); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C6H8R(287)<=>C5H5(189)+C6H9R(285) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #4227; RMG #4227 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C8H13(191)<=>C6H9R(285)+C8H12(194) 1.225850e+27 -4.376 8.206 + +! Reaction index: Chemkin #4228; RMG #4228 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C6H8R(287), C6H9R(285); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+C7H13R(120)<=>C6H9R(285)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4229; RMG #4229 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C10H13(202)<=>C6H9R(285)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4230; RMG #4230 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4L(219)+C6H9R(285)<=>C3H5L(86)+C6H8R(287) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #4231; RMG #4231 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H6R(224)+C6H9R(285)<=>C4H7R(60)+C6H8R(287) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #4232; RMG #4232 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(285); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [2_methyl_CPD;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C6H8R(287)<=>C6H7(239)+C6H9R(285) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #4233; RMG #4233 +! Library reaction: restart +! Flux pairs: C6H8R(287), C6H9R(285); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H8R(287)<=>C6H6(252)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4234; RMG #4234 +! Library reaction: restart +! Flux pairs: C6H8R(287), C6H9R(285); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C6H8R(287)<=>C6H6(252)+C6H9R(285) 1.225850e+27 -4.376 12.126 + +! Reaction index: Chemkin #4235; RMG #4235 +! Library reaction: restart +! Flux pairs: C6H8R(287), C6H9R(285); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C5H8L(89)+C6H8R(287)<=>C5H7L(262)+C6H9R(285) 7.830000e+11 0.000 1.042 + +! Reaction index: Chemkin #4236; RMG #4236 +! Library reaction: restart +! Flux pairs: C6H8R(287), C6H9R(285); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H8R(287)<=>C5H7L(262)+C6H9R(285) 1.225850e+27 -4.376 10.947 + +! Reaction index: Chemkin #4237; RMG #4237 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C11H15(256)<=>C6H9R(285)+C11H14(271) 1.225850e+27 -4.376 10.743 + +! Reaction index: Chemkin #4238; RMG #4238 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C9H13(260)<=>C6H9R(285)+C9H12(272) 1.225850e+27 -4.376 8.206 + +! Reaction index: Chemkin #4239; RMG #4239 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C6H10R(90)<=>C6H9R(285)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4240; RMG #4240 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C6H8R(287), C6H9R(285); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+RC10L(1)<=>C6H9R(285)+C9H17LR(65) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #4241; RMG #4241 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C6H8R(287), C6H9R(285); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+RC10L(1)<=>C6H9R(285)+C9H17LR(69) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #4242; RMG #4242 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C6H8R(287), C6H9R(285); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+RC10L(1)<=>C6H9R(285)+C9H17LR(72) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #4243; RMG #4243 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C7H15(85)<=>C6H8R(287)+CC(C)CC(C)C(87) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #4244; RMG #4244 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(285); C6H8(118), C6H7(123); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C6H8R(287)<=>C6H7(123)+C6H9R(285) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #4245; RMG #4245 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(285); C6H8(125), C6H7(123); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C6H8R(287)<=>C6H7(123)+C6H9R(285) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #4246; RMG #4246 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]CC(195)+C6H9R(285)<=>CCC(95)+C6H8R(287) 1.344360e-04 4.649 4.528 + +! Reaction index: Chemkin #4247; RMG #4247 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(285); CC(L)CC(C)L(35), C5H9L2(203); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C6H8R(287)<=>C5H9L2(203)+C6H9R(285) 3.380000e-02 4.340 16.600 + +! Reaction index: Chemkin #4248; RMG #4248 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C12H15(283)<=>C6H9R(285)+C12H14(244) 1.225850e+27 -4.376 12.042 + +! Reaction index: Chemkin #4249; RMG #4249 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C11H15(226)<=>C6H9R(285)+C11H14(278) 1.225850e+27 -4.376 12.042 + +! Reaction index: Chemkin #4250; RMG #4250 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C10H20R(64)<=>C6H8R(287)+RC10(2) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #4251; RMG #4251 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C10H20L(76)<=>C6H8R(287)+LC10(3) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #4252; RMG #4252 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C8H16L(15)<=>C6H8R(287)+C8H17L(49) 9.781930e-04 4.260 6.640 + +! Reaction index: Chemkin #4253; RMG #4253 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(285); [H][H](83), H(82); +! From training reaction 789 used for H2;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [H2;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +! Ea raised from 101.3 to 102.4 kJ/mol to match endothermicity of reaction. +! Ea raised from 102.4 to 102.4 kJ/mol to match endothermicity of reaction. +[H][H](83)+C6H8R(287)<=>H(82)+C6H9R(285) 6.060000e-02 4.340 24.463 + +! Reaction index: Chemkin #4254; RMG #4254 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C10H13(202)<=>C6H8R(287)+C10H14(179) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #4255; RMG #4255 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C11H15(234)<=>C6H8R(287)+C11H16(229) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #4256; RMG #4256 +! Library reaction: restart +! Flux pairs: C6H8R(287), C6H8R(288); +! Estimated from node Backbone2_Sp-3R!H=1R!H_N-4R!H->S +C6H8R(287)<=>C6H8R(288) 1.572550e+29 -4.713 39.000 + +! Reaction index: Chemkin #4257; RMG #4257 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H5L(91), C10H13LR(289); C6H8R(287), C10H13LR(289); +! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C4H5L(91)+C6H8R(287)<=>C10H13LR(289) 2.490000e+04 2.410 8.810 + +! Reaction index: Chemkin #4258; RMG #4258 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C6H9(114); C6H8(290), C6H9(114); +! From training reaction 2545 used for Cds-HH_Cds-CdCs;HJ +! Exact match found for rate rule [Cds-HH_Cds-CdCs;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C6H8(290)<=>C6H9(114) 2.580000e+08 1.640 -0.720 + +! Reaction index: Chemkin #4259; RMG #4259 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H9(114)<=>CCCR(27)+C6H8(290) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #4260; RMG #4260 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H9(114)<=>CCL(26)+C6H8(290) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #4261; RMG #4261 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C6H9(114)<=>CR(22)+C6H8(290) 1.225850e+27 -4.376 6.271 + +! Reaction index: Chemkin #4262; RMG #4262 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C6H9(114)<=>C(75)+C6H8(290) 1.225850e+27 -4.376 5.442 + +! Reaction index: Chemkin #4263; RMG #4263 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H9(114)<=>C5H9L(57)+C6H8(290) 1.225850e+27 -4.376 10.889 + +! Reaction index: Chemkin #4264; RMG #4264 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H9(114)<=>C5H9L(84)+C6H8(290) 1.225850e+27 -4.376 10.478 + +! Reaction index: Chemkin #4265; RMG #4265 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C6H9(114)<=>C3H5R(12)+C6H8(290) 1.225850e+27 -4.376 10.329 + +! Reaction index: Chemkin #4266; RMG #4266 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C6H9(114)<=>C3H5R(58)+C6H8(290) 1.225850e+27 -4.376 9.481 + +! Reaction index: Chemkin #4267; RMG #4267 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C6H9(114)<=>C4H7R(60)+C6H8(290) 1.225850e+27 -4.376 10.329 + +! Reaction index: Chemkin #4268; RMG #4268 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C6H9(114)<=>C4H7R(81)+C6H8(290) 1.225850e+27 -4.376 9.481 + +! Reaction index: Chemkin #4269; RMG #4269 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C6H9(114)<=>C5H9L(24)+C6H8(290) 1.225850e+27 -4.376 10.493 + +! Reaction index: Chemkin #4270; RMG #4270 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C6H9(114)<=>C5H9L(57)+C6H8(290) 1.225850e+27 -4.376 9.481 + +! Reaction index: Chemkin #4271; RMG #4271 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(56); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C6H10R(90)<=>C6H8(290)+C6H11R(56) 1.225850e+27 -4.376 10.889 + +! Reaction index: Chemkin #4272; RMG #4272 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H11R(98); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C6H10R(90)<=>C6H8(290)+C6H11R(98) 1.225850e+27 -4.376 10.478 + +! Reaction index: Chemkin #4273; RMG #4273 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C6H9(114)<=>CCC(95)+C6H8(290) 1.225850e+27 -4.376 6.840 + +! Reaction index: Chemkin #4274; RMG #4274 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C6H9(114)<=>C3H6(18)+C6H8(290) 2.451710e+27 -4.376 9.514 + +! Reaction index: Chemkin #4275; RMG #4275 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(63); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C6H10L(103)<=>C6H8(290)+C6H11L(63) 1.225850e+27 -4.376 10.493 + +! Reaction index: Chemkin #4276; RMG #4276 +! Library reaction: restart +! Flux pairs: C6H10L(103), C6H11L(107); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C6H10L(103)<=>C6H8(290)+C6H11L(107) 1.225850e+27 -4.376 9.481 + +! Reaction index: Chemkin #4277; RMG #4277 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(62); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C7H12R(108)<=>C6H8(290)+C7H13R(62) 1.225850e+27 -4.376 10.493 + +! Reaction index: Chemkin #4278; RMG #4278 +! Library reaction: restart +! Flux pairs: C7H12R(108), C7H13R(120); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C7H12R(108)<=>C6H8(290)+C7H13R(120) 1.225850e+27 -4.376 9.481 + +! Reaction index: Chemkin #4279; RMG #4279 +! Library reaction: restart +! Flux pairs: C6H9(113), C6H10(110); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C6H9(113)<=>C6H8(290)+C6H10(110) 1.225850e+27 -4.376 12.074 + +! Reaction index: Chemkin #4280; RMG #4280 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C6H9(114)<=>C6H8(290)+C6H10(116) 1.225850e+27 -4.376 11.229 + +! Reaction index: Chemkin #4281; RMG #4281 +! Library reaction: restart +! Flux pairs: C8H14L(112), C8H15L(61); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C8H14L(112)<=>C6H8(290)+C8H15L(61) 1.225850e+27 -4.376 10.889 + +! Reaction index: Chemkin #4282; RMG #4282 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C6H9(114)<=>C4H8(157)+C6H8(290) 2.451710e+27 -4.376 9.105 + +! Reaction index: Chemkin #4283; RMG #4283 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H10(116); C6H9(160), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C6H9(114)<=>C6H8(290)+C6H10(116) 2.451710e+27 -4.376 11.229 + +! Reaction index: Chemkin #4284; RMG #4284 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C6H9(114)<=>C5H8(173)+C6H8(290) 2.451710e+27 -4.376 11.960 + +! Reaction index: Chemkin #4285; RMG #4285 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C6H9(114)<=>C5H8(180)+C6H8(290) 2.451710e+27 -4.376 11.229 + +! Reaction index: Chemkin #4286; RMG #4286 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C6H7(239), C6H8(290); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H7(239)+RC10L(1)<=>C6H8(290)+C9H17LR(65) 6.950000e-03 4.340 19.640 + +! Reaction index: Chemkin #4287; RMG #4287 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C6H7(239), C6H8(290); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H7(239)+RC10L(1)<=>C6H8(290)+C9H17LR(69) 6.950000e-03 4.340 19.640 + +! Reaction index: Chemkin #4288; RMG #4288 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C9H17LR(66)<=>C6H7(239)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #4289; RMG #4289 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C9H17LR(68)<=>C6H7(239)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #4290; RMG #4290 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C6H7(239), C6H8(290); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H7(239)+RC10L(1)<=>C6H8(290)+C9H17LR(72) 6.950000e-03 4.340 19.640 + +! Reaction index: Chemkin #4291; RMG #4291 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C9H17LR(73)<=>C6H7(239)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4292; RMG #4292 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C9H17LR(71)<=>C6H7(239)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4293; RMG #4293 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C9H17LR(67)<=>C6H7(239)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #4294; RMG #4294 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C9H17LR(70)<=>C6H7(239)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4295; RMG #4295 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C10H20R(64)<=>C6H7(239)+RC10(2) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #4296; RMG #4296 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C10H20L(76)<=>C6H7(239)+LC10(3) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #4297; RMG #4297 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(290); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H7(239)<=>C2H3L(19)+C6H8(290) 1.225850e+27 -4.376 9.038 + +! Reaction index: Chemkin #4298; RMG #4298 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C3H4R(78), C3H5R(12); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C6H8(290)<=>C3H5R(12)+C6H7(239) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #4299; RMG #4299 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H8(290)<=>CC(C)L(13)+C6H7(239) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4300; RMG #4300 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H8(290)<=>CCCC(C)L(16)+C6H7(239) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #4301; RMG #4301 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C6H10R(171)<=>C6H7(239)+C6H11R(17) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #4302; RMG #4302 +! Template reaction: H_Abstraction +! Flux pairs: C6H7(239), C6H8(290); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C6H7(239)<=>C3H5(102)+C6H8(290) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #4303; RMG #4303 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H8(290)<=>CC(C)CR(20)+C6H7(239) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4304; RMG #4304 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C6H8(290)<=>CR(22)+C6H7(239) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4305; RMG #4305 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C7H14R(9)<=>C6H7(239)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4306; RMG #4306 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C5H8L(89), C5H9L(24); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C6H8(290)<=>C5H9L(24)+C6H7(239) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #4307; RMG #4307 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C6H12L(11)<=>C6H7(239)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4308; RMG #4308 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C6H8(290)<=>CCL(26)+C6H7(239) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #4309; RMG #4309 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C6H8(290)<=>CCCR(27)+C6H7(239) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #4310; RMG #4310 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C[CH]CC(C)CR(5)<=>C6H7(239)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #4311; RMG #4311 +! Template reaction: H_Abstraction +! Flux pairs: C6H7(239), C6H8(290); CC(L)CC(C)L(35), C5H9L2(203); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C6H7(239)<=>C5H9L2(203)+C6H8(290) 1.390000e-02 4.340 19.640 + +! Reaction index: Chemkin #4312; RMG #4312 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C8H16L(15)<=>C6H7(239)+C8H17L(49) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #4313; RMG #4313 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C6H7(239), C6H8(290); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H7(239)+C6H11R(56)<=>C6H8(290)+C6H10R(90) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4314; RMG #4314 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C6H10R(171)<=>C6H7(239)+C6H11R(56) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #4315; RMG #4315 +! Template reaction: H_Abstraction +! Flux pairs: C6H7(239), C6H8(290); C5H9L(57), C5H8L(77); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C6H7(239)<=>C5H8L(77)+C6H8(290) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4316; RMG #4316 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C5H8L(89), C5H9L(57); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C6H8(290)<=>C5H9L(57)+C6H7(239) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #4317; RMG #4317 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C6H8(290)<=>C3H5R(58)+C6H7(239) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #4318; RMG #4318 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C6H8(290)<=>C3H5L(59)+C6H7(239) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #4319; RMG #4319 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C6H8(290)<=>C4H7R(60)+C6H7(239) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #4320; RMG #4320 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C4H6R(79), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C6H8(290)<=>C4H7R(60)+C6H7(239) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #4321; RMG #4321 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C6H7(239), C6H8(290); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H7(239)+C8H15L(61)<=>C6H8(290)+C8H14L(112) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4322; RMG #4322 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C7H12R(108)<=>C6H7(239)+C7H13R(62) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #4323; RMG #4323 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C6H10L(103)<=>C6H7(239)+C6H11L(63) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #4324; RMG #4324 +! Template reaction: H_Abstraction +! Flux pairs: C6H7(239), C6H8(290); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C6H7(239)<=>CH3(74)+C6H8(290) 4.240000e-02 4.340 28.220 + +! Reaction index: Chemkin #4325; RMG #4325 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(290); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H7(239)<=>C5H7L(262)+C6H8(290) 1.225850e+27 -4.376 11.938 + +! Reaction index: Chemkin #4326; RMG #4326 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C6H8(290)<=>C4H7R(81)+C6H7(239) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #4327; RMG #4327 +! Template reaction: H_Abstraction +! Flux pairs: C6H7(239), C6H8(290); [H][H](83), H(82); +! From training reaction 790 used for H2;C_rad/H/CdCs +! Exact match found for rate rule [H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +! Ea raised from 114.4 to 116.1 kJ/mol to match endothermicity of reaction. +! Ea raised from 116.1 to 116.1 kJ/mol to match endothermicity of reaction. +[H][H](83)+C6H7(239)<=>H(82)+C6H8(290) 4.580000e-02 4.340 27.757 + +! Reaction index: Chemkin #4328; RMG #4328 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C5H8L(77), C5H9L(84); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(77)+C6H8(290)<=>C5H9L(84)+C6H7(239) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #4329; RMG #4329 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C6H8(290)<=>C3H5L(86)+C6H7(239) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #4330; RMG #4330 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C7H15(85)<=>C6H7(239)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4331; RMG #4331 +! Library reaction: restart +! Flux pairs: C6H10R(90), C6H9R(285); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H10R(90)<=>C6H8(290)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4332; RMG #4332 +! Template reaction: H_Abstraction +! Flux pairs: C6H7(239), C6H8(290); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C6H7(239)<=>C[CH]C(94)+C6H8(290) 1.476000e-02 4.340 21.695 + +! Reaction index: Chemkin #4333; RMG #4333 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C6H8(290)<=>CCC(95)+C6H7(239) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4334; RMG #4334 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C6H10R(90)<=>C6H7(239)+C6H11R(98) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #4335; RMG #4335 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C6H7(239), C6H8(290); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H7(239)+C6H11L(107)<=>C6H8(290)+C6H10L(169) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4336; RMG #4336 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(107); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C6H10L(103)<=>C6H7(239)+C6H11L(107) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #4337; RMG #4337 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(113), C6H10(110); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C6H9(113)<=>C6H7(239)+C6H10(110) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #4338; RMG #4338 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(160), C6H10(116); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(290)+C6H9(160)<=>C6H7(239)+C6H10(116) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #4339; RMG #4339 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(114), C6H10(116); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C6H9(114)<=>C6H7(239)+C6H10(116) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #4340; RMG #4340 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H8(290); C6H7(239), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H7(239)+C6H8(118)<=>C6H7(123)+C6H8(290) 1.962000e-03 4.340 7.980 + +! Reaction index: Chemkin #4341; RMG #4341 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H8(118); C6H7(239), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H7(239)+C6H8(290)<=>C6H7(239)+C6H8(118) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #4342; RMG #4342 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C6H7(239), C6H8(290); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H7(239)+C7H13R(120)<=>C6H8(290)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4343; RMG #4343 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C7H12R(108)<=>C6H7(239)+C7H13R(120) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #4344; RMG #4344 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(125), C6H8(290); C6H7(239), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H7(239)+C6H8(125)<=>C6H7(123)+C6H8(290) 1.962000e-03 4.340 7.630 + +! Reaction index: Chemkin #4345; RMG #4345 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C6H8(290)<=>C4H8(157)+C6H7(239) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #4346; RMG #4346 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C5H7(174), C5H8(173); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H7(174)+C6H8(290)<=>C5H8(173)+C6H7(239) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #4347; RMG #4347 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C5H7(178), C5H8(180); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H7(178)+C6H8(290)<=>C5H8(180)+C6H7(239) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #4348; RMG #4348 +! Template reaction: H_Abstraction +! Flux pairs: C6H7(239), C6H8(290); C5H6(187), C5H5(189); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C6H7(239)<=>C5H5(189)+C6H8(290) 1.962000e-03 4.340 8.052 + +! Reaction index: Chemkin #4349; RMG #4349 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(290); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H7(239)<=>C6H6(252)+C6H8(290) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4350; RMG #4350 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(290); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C6H7(239)<=>C5H7L(262)+C6H8(290) 5.258140e+13 -0.550 1.466 + +! Reaction index: Chemkin #4351; RMG #4351 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C6H9(114)<=>C6H8(290)+C6H8(118) 1.225850e+27 -4.376 11.960 +DUPLICATE + +! Reaction index: Chemkin #4352; RMG #4352 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H9(114)<=>C6H8(290)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4353; RMG #4353 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C6H9(114)<=>C6H8(290)+C6H8(290) 1.225850e+27 -4.376 13.005 + +! Reaction index: Chemkin #4354; RMG #4354 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H9(114)<=>C6H8(290)+C6H8(118) 1.547940e+12 0.025 0.000 +DUPLICATE + +! Reaction index: Chemkin #4355; RMG #4355 +! Library reaction: restart +! Flux pairs: C6H9(160), C6H8(125); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(239)+C6H9(160)<=>C6H8(290)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4356; RMG #4356 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(290); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H7(239)<=>C5H6(187)+C6H8(290) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4357; RMG #4357 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C10H13(202)<=>C6H7(239)+C10H14(179) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #4358; RMG #4358 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C11H15(234)<=>C6H7(239)+C11H16(229) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #4359; RMG #4359 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(290); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H7(239)<=>C3H5R(58)+C6H8(290) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4360; RMG #4360 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(290); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H7(239)<=>C3H5R(12)+C6H8(290) 1.225850e+27 -4.376 9.038 + +! Reaction index: Chemkin #4361; RMG #4361 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(290); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C6H7(239)<=>C6H6(252)+C6H8(290) 1.225850e+27 -4.376 13.179 + +! Reaction index: Chemkin #4362; RMG #4362 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(290); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C6H7(239)<=>C3H6(18)+C6H8(290) 2.451710e+27 -4.376 8.917 + +! Reaction index: Chemkin #4363; RMG #4363 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(285); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C6H8R(287)<=>C6H7(239)+C6H9R(285) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #4364; RMG #4364 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H9R(285); C6H8R(287), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C6H9(114)<=>C6H8(290)+C6H9R(285) 1.225850e+27 -4.376 11.960 + +! Reaction index: Chemkin #4365; RMG #4365 +! Library reaction: restart +! Flux pairs: H(82), C6H8(290); C6H7(239), C6H8(290); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H +H(82)+C6H7(239)<=>C6H8(290) 1.576430e+13 -0.222 0.000 + +! Reaction index: Chemkin #4366; RMG #4366 +! Library reaction: restart +! Flux pairs: C9H17LR(65), RC10L(1); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C9H17LR(65)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 7.322 + +! Reaction index: Chemkin #4367; RMG #4367 +! Library reaction: restart +! Flux pairs: C9H17LR(69), RC10L(1); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C9H17LR(69)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 7.322 + +! Reaction index: Chemkin #4368; RMG #4368 +! Library reaction: restart +! Flux pairs: C9H17LR(66), RC10L(1); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C9H17LR(66)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #4369; RMG #4369 +! Library reaction: restart +! Flux pairs: C9H17LR(68), RC10L(1); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C9H17LR(68)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #4370; RMG #4370 +! Library reaction: restart +! Flux pairs: C9H17LR(72), RC10L(1); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C9H17LR(72)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 7.322 + +! Reaction index: Chemkin #4371; RMG #4371 +! Library reaction: restart +! Flux pairs: C9H17LR(73), RC10L(1); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C9H17LR(73)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 6.271 + +! Reaction index: Chemkin #4372; RMG #4372 +! Library reaction: restart +! Flux pairs: C9H17LR(71), RC10L(1); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C9H17LR(71)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 6.271 + +! Reaction index: Chemkin #4373; RMG #4373 +! Library reaction: restart +! Flux pairs: C9H17LR(67), RC10L(1); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C9H17LR(67)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #4374; RMG #4374 +! Library reaction: restart +! Flux pairs: C9H17LR(70), RC10L(1); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C9H17LR(70)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 6.271 + +! Reaction index: Chemkin #4375; RMG #4375 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C10H20R(64)<=>C6H8(290)+RC10(2) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #4376; RMG #4376 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C10H20L(76)<=>C6H8(290)+LC10(3) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #4377; RMG #4377 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C6H9(114)<=>CC(C)L(13)+C6H8(290) 1.225850e+27 -4.376 6.271 + +! Reaction index: Chemkin #4378; RMG #4378 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H9(114)<=>CCCC(C)L(16)+C6H8(290) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #4379; RMG #4379 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(17); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C6H10R(171)<=>C6H8(290)+C6H11R(17) 1.225850e+27 -4.376 10.493 + +! Reaction index: Chemkin #4380; RMG #4380 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C[CH]CC(C)CR(5)<=>C6H8(290)+C6H11R(17) 1.225850e+27 -4.376 8.821 + +! Reaction index: Chemkin #4381; RMG #4381 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(290); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H7(239)<=>C3H6(18)+C6H8(290) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4382; RMG #4382 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C6H9(114)<=>CC(C)CR(20)+C6H8(290) 1.225850e+27 -4.376 6.271 + +! Reaction index: Chemkin #4383; RMG #4383 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C8H16L(15)<=>C6H8(290)+C8H15L(21) 1.225850e+27 -4.376 8.821 + +! Reaction index: Chemkin #4384; RMG #4384 +! Library reaction: restart +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C7H14R(9)<=>C6H8(290)+CC(C)CC(C)CR(23) 1.225850e+27 -4.376 6.271 + +! Reaction index: Chemkin #4385; RMG #4385 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(290); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H7(239)<=>C5H9L(24)+C6H8(290) 1.225850e+27 -4.376 8.821 + +! Reaction index: Chemkin #4386; RMG #4386 +! Library reaction: restart +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C6H12L(11)<=>C6H8(290)+CC(C)CC(C)L(25) 1.225850e+27 -4.376 6.271 + +! Reaction index: Chemkin #4387; RMG #4387 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C[CH]CC(C)CR(5)<=>C6H8(290)+CCCC(C)CR(32) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #4388; RMG #4388 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C6H9(114)<=>CC(L)CC(C)L(35)+C6H8(290) 1.225850e+27 -4.376 7.322 + +! Reaction index: Chemkin #4389; RMG #4389 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H17L(49); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C8H16L(15)<=>C6H8(290)+C8H17L(49) 1.225850e+27 -4.376 6.864 + +! Reaction index: Chemkin #4390; RMG #4390 +! Library reaction: restart +! Flux pairs: C6H10R(171), C6H11R(56); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C6H10R(171)<=>C6H8(290)+C6H11R(56) 1.225850e+27 -4.376 9.481 + +! Reaction index: Chemkin #4391; RMG #4391 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C[CH]CC(C)CR(5)<=>C6H8(290)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4392; RMG #4392 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(290); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H7(239)<=>C5H9L(57)+C6H8(290) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4393; RMG #4393 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C6H9(114)<=>C3H5L(59)+C6H8(290) 2.451710e+27 -4.376 9.481 + +! Reaction index: Chemkin #4394; RMG #4394 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(290); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C6H7(239)<=>C3H5L(59)+C6H8(290) 5.258140e+13 -0.550 0.407 + +! Reaction index: Chemkin #4395; RMG #4395 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C6H9(114)<=>C4H7R(60)+C6H8(290) 2.451710e+27 -4.376 9.481 + +! Reaction index: Chemkin #4396; RMG #4396 +! Library reaction: restart +! Flux pairs: C6H7(239), C6H8(290); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C6H7(239)<=>C4H7R(60)+C6H8(290) 5.258140e+13 -0.550 0.407 + +! Reaction index: Chemkin #4397; RMG #4397 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C8H16L(15)<=>C6H8(290)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4398; RMG #4398 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H7(239)+C7H14R(9)<=>C6H8(290)+C7H13R(62) 5.258140e+13 -0.550 0.351 + +! Reaction index: Chemkin #4399; RMG #4399 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(63); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H7(239)+C6H12L(11)<=>C6H8(290)+C6H11L(63) 5.258140e+13 -0.550 0.351 + +! Reaction index: Chemkin #4400; RMG #4400 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C6H9(114)<=>[H][H](83)+C6H8(290) 1.225850e+27 -4.376 5.618 + +! Reaction index: Chemkin #4401; RMG #4401 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C6H9(114)<=>C3H5L(86)+C6H8(290) 1.225850e+27 -4.376 9.481 + +! Reaction index: Chemkin #4402; RMG #4402 +! Library reaction: restart +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C7H15(85)<=>C6H8(290)+CC(C)CC(C)C(87) 1.225850e+27 -4.376 6.271 + +! Reaction index: Chemkin #4403; RMG #4403 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C6H9(114)<=>CCC(95)+C6H8(290) 1.225850e+27 -4.376 6.168 + +! Reaction index: Chemkin #4404; RMG #4404 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(107); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C6H10L(169)<=>C6H8(290)+C6H11L(107) 1.225850e+27 -4.376 10.889 + +! Reaction index: Chemkin #4405; RMG #4405 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C6H7(123), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C6H9(114)<=>C6H8(290)+C6H8(118) 2.451710e+27 -4.376 10.454 + +! Reaction index: Chemkin #4406; RMG #4406 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C6H9(114)<=>C6H8(290)+C6H8(118) 1.225850e+27 -4.376 11.960 +DUPLICATE + +! Reaction index: Chemkin #4407; RMG #4407 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(118); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H9(114)<=>C6H8(290)+C6H8(118) 1.547940e+12 0.025 0.000 +DUPLICATE + +! Reaction index: Chemkin #4408; RMG #4408 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(120); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C7H12R(199)<=>C6H8(290)+C7H13R(120) 1.225850e+27 -4.376 10.889 + +! Reaction index: Chemkin #4409; RMG #4409 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(125); C6H7(123), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C6H9(114)<=>C6H8(290)+C6H8(125) 2.451710e+27 -4.376 10.559 + +! Reaction index: Chemkin #4410; RMG #4410 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H14(179); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C10H13(202)<=>C6H8(290)+C10H14(179) 1.225850e+27 -4.376 11.307 + +! Reaction index: Chemkin #4411; RMG #4411 +! Library reaction: restart +! Flux pairs: C6H9(114), C6H8(290); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C6H9(114)<=>C5H6(187)+C6H8(290) 6.129270e+27 -4.376 10.433 + +! Reaction index: Chemkin #4412; RMG #4412 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C8H13(191)<=>C6H8(290)+C8H12(194) 1.225850e+27 -4.376 9.038 + +! Reaction index: Chemkin #4413; RMG #4413 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C11H15(234)<=>C6H8(290)+C11H16(229) 1.225850e+27 -4.376 11.229 + +! Reaction index: Chemkin #4414; RMG #4414 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C9H13(260)<=>C6H8(290)+C9H12(272) 1.225850e+27 -4.376 9.038 + +! Reaction index: Chemkin #4415; RMG #4415 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C10H15(183)<=>C6H8(290)+C10H14(184) 1.225850e+27 -4.376 11.722 + +! Reaction index: Chemkin #4416; RMG #4416 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C10H13(202)<=>C6H8(290)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4417; RMG #4417 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C12H15(283)<=>C6H8(290)+C12H14(244) 1.225850e+27 -4.376 13.090 + +! Reaction index: Chemkin #4418; RMG #4418 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H15(256)<=>C6H8(290)+C11H14(271) 1.225850e+27 -4.376 11.722 + +! Reaction index: Chemkin #4419; RMG #4419 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H15(226)<=>C6H8(290)+C11H14(278) 1.225850e+27 -4.376 13.090 + +! Reaction index: Chemkin #4420; RMG #4420 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C2H4(196), C8H12R(291); C6H8R(287), C8H12R(291); +! From training reaction 13 used for Cds-HH_Cds-HH;CsJ-CdCdH +! Exact match found for rate rule [Cds-HH_Cds-HH;CsJ-CdCdH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C2H4(196)+C6H8R(287)<=>C8H12R(291) 2.971820e+02 2.951 4.541 + +! Reaction index: Chemkin #4421; RMG #4421 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H5L(91), C10H12L(292); C6H7(239), C10H12L(292); +! Estimated using template [Cds-CsH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-CdH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C4H5L(91)+C6H7(239)<=>C10H12L(292) 1.190000e+04 2.410 10.290 + +! Reaction index: Chemkin #4422; RMG #4422 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5L(59), C9H12L(293); C6H7(239), C9H12L(293); +! From training reaction 260 used for Cds-HH_Cds-CsCs;CsJ-CdCsH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H5L(59)+C6H7(239)<=>C9H12L(293) 4.860000e+03 2.410 10.980 + +! Reaction index: Chemkin #4423; RMG #4423 +! Library reaction: restart +! Flux pairs: C12H18L(259), C12H18L(294); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing +C12H18L(259)<=>C12H18L(294) 1.260000e+11 0.160 5.938 + +! Reaction index: Chemkin #4424; RMG #4424 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7L(104), C11H15LR(295); C6H8R(287), C11H15LR(295); +! From training reaction 295 used for Cds-HH_Cds-CdCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CdHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C5H7L(104)+C6H8R(287)<=>C11H15LR(295) 2.820000e+04 2.410 8.390 + +! Reaction index: Chemkin #4425; RMG #4425 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H15R(296); C6H8R(287), C12H15R(296); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H8R(287)<=>C12H15R(296) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #4426; RMG #4426 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7L(104), C11H14L(297); C6H7(239), C11H14L(297); +! From training reaction 296 used for Cds-HH_Cds-CdCs;CsJ-CdCsH +! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CdCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C5H7L(104)+C6H7(239)<=>C11H14L(297) 4.920000e+03 2.410 8.150 + +! Reaction index: Chemkin #4427; RMG #4427 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H6(187), C11H13(298); C6H7(239), C11H13(298); +! From training reaction 50 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH +! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C5H6(187)+C6H7(239)<=>C11H13(298) 5.760000e+01 2.740 3.300 + +! Reaction index: Chemkin #4428; RMG #4428 +! Library reaction: restart +! Flux pairs: H(82), C11H14(276); C11H13(298), C11H14(276); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H +H(82)+C11H13(298)<=>C11H14(276) 1.576430e+13 -0.222 0.000 + +! Reaction index: Chemkin #4429; RMG #4429 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C11H13(298)<=>C3H5R(12)+C11H14(276) 1.225850e+27 -4.376 7.689 + +! Reaction index: Chemkin #4430; RMG #4430 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C11H13(298)<=>C6H11R(17)+C11H14(276) 1.225850e+27 -4.376 7.493 + +! Reaction index: Chemkin #4431; RMG #4431 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C11H13(298)<=>C3H6(18)+C11H14(276) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4432; RMG #4432 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C11H13(298)<=>C3H6(18)+C11H14(276) 2.451710e+27 -4.376 7.580 + +! Reaction index: Chemkin #4433; RMG #4433 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C11H13(298)<=>C2H3L(19)+C11H14(276) 1.225850e+27 -4.376 7.689 + +! Reaction index: Chemkin #4434; RMG #4434 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C11H13(298)<=>C8H15L(21)+C11H14(276) 1.225850e+27 -4.376 7.493 + +! Reaction index: Chemkin #4435; RMG #4435 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C11H13(298)<=>C5H9L(24)+C11H14(276) 1.225850e+27 -4.376 7.493 + +! Reaction index: Chemkin #4436; RMG #4436 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C11H13(298)<=>C6H11R(56)+C11H14(276) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4437; RMG #4437 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C11H13(298)<=>C5H9L(57)+C11H14(276) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4438; RMG #4438 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C11H13(298)<=>C3H5R(58)+C11H14(276) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4439; RMG #4439 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C11H13(298)<=>C3H5L(59)+C11H14(276) 5.258140e+13 -0.550 0.119 + +! Reaction index: Chemkin #4440; RMG #4440 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C11H13(298)<=>C4H7R(60)+C11H14(276) 5.258140e+13 -0.550 0.119 + +! Reaction index: Chemkin #4441; RMG #4441 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C11H13(298)<=>C8H15L(61)+C11H14(276) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4442; RMG #4442 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C11H13(298)<=>C7H13R(62)+C11H14(276) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4443; RMG #4443 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C11H13(298)<=>C6H11L(63)+C11H14(276) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4444; RMG #4444 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C11H13(298)<=>C6H8(118)+C11H14(276) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4445; RMG #4445 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C11H13(298)<=>C6H8(125)+C11H14(276) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4446; RMG #4446 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C11H13(298)<=>C6H8(125)+C11H14(276) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4447; RMG #4447 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C11H13(298)<=>C5H6(187)+C11H14(276) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4448; RMG #4448 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C11H13(298)<=>C6H6(252)+C11H14(276) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4449; RMG #4449 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C11H13(298)<=>C6H6(252)+C11H14(276) 1.225850e+27 -4.376 11.468 + +! Reaction index: Chemkin #4450; RMG #4450 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C11H13(298)<=>C5H7L(262)+C11H14(276) 5.258140e+13 -0.550 0.808 + +! Reaction index: Chemkin #4451; RMG #4451 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C11H13(298)<=>C5H7L(262)+C11H14(276) 1.225850e+27 -4.376 10.329 + +! Reaction index: Chemkin #4452; RMG #4452 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C11H13(298)<=>C8H12(194)+C11H14(276) 1.225850e+27 -4.376 7.689 + +! Reaction index: Chemkin #4453; RMG #4453 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(298), C11H14(276); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C11H13(298)<=>C6H7(239)+C11H14(276) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #4454; RMG #4454 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(298), C11H14(276); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C11H13(298)<=>C6H7(239)+C11H14(276) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #4455; RMG #4455 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C11H13(298)<=>C9H12(272)+C11H14(276) 1.225850e+27 -4.376 7.689 + +! Reaction index: Chemkin #4456; RMG #4456 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C11H13(298)<=>C6H9R(285)+C11H14(276) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4457; RMG #4457 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C11H13(298)<=>C6H8(290)+C11H14(276) 1.225850e+27 -4.376 11.307 + +! Reaction index: Chemkin #4458; RMG #4458 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5L(59), C9H13LR(299); C6H8R(287), C9H13LR(299); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H5L(59)+C6H8R(287)<=>C9H13LR(299) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #4459; RMG #4459 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H15R(300); C6H8R(287), C12H15R(300); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H8R(287)<=>C12H15R(300) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #4460; RMG #4460 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H15R(301); C6H8R(287), C12H15R(301); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H8R(287)<=>C12H15R(301) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #4461; RMG #4461 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H15R(302); C6H8R(287), C12H15R(302); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H8R(287)<=>C12H15R(302) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #4462; RMG #4462 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H15R(303); C6H8R(287), C12H15R(303); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H8R(287)<=>C12H15R(303) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #4463; RMG #4463 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H15R(304); C6H8R(287), C12H15R(304); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H8R(287)<=>C12H15R(304) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #4464; RMG #4464 +! Library reaction: restart +! Flux pairs: C6H8R(287), C12H16R2(305); C6H8R(287), C12H16R2(305); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C6H8R(287)+C6H8R(287)<=>C12H16R2(305) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #4465; RMG #4465 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H15R(306); C6H8R(288), C12H15R(306); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +C6H7(239)+C6H8R(288)<=>C12H15R(306) 5.000000e+13 -0.000 0.000 + +! Reaction index: Chemkin #4466; RMG #4466 +! Library reaction: restart +! Flux pairs: C10H12L(292), C10H12L(307); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R_Ext-8R!H-R_Sp-9R!H-8R!H +C10H12L(292)<=>C10H12L(307) 9.450000e+10 0.290 11.829 + +! Reaction index: Chemkin #4467; RMG #4467 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H16(308); C6H9(160), C12H16(308); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H9(160)<=>C12H16(308) 1.000000e+14 -0.000 0.000 + +! Reaction index: Chemkin #4468; RMG #4468 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H16(309); C6H9(160), C12H16(309); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H9(160)<=>C12H16(309) 1.000000e+14 -0.000 0.000 + +! Reaction index: Chemkin #4469; RMG #4469 +! Library reaction: restart +! Flux pairs: C13H20R(281), C13H20R(310); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing +C13H20R(281)<=>C13H20R(310) 1.260000e+11 0.160 5.938 + +! Reaction index: Chemkin #4470; RMG #4470 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H6(18), C9H13(311); C6H7(239), C9H13(311); +! Estimated using template [Cds-HH_Cds-Cs\H3/H;CsJ-CdHH] for rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C3H6(18)+C6H7(239)<=>C9H13(311) 7.800000e+02 2.530 11.000 + +! Reaction index: Chemkin #4471; RMG #4471 +! Library reaction: restart +! Flux pairs: C9H13(311), C9H13(312); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing +C9H13(311)<=>C9H13(312) 1.260000e+11 0.160 6.026 + +! Reaction index: Chemkin #4472; RMG #4472 +! Library reaction: restart +! Flux pairs: C9H13(311), C9H13(313); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing +C9H13(311)<=>C9H13(313) 1.260000e+11 0.160 9.310 + +! Reaction index: Chemkin #4473; RMG #4473 +! Library reaction: restart +! Flux pairs: C9H12L(241), C9H12L(314); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing +C9H12L(241)<=>C9H12L(314) 1.260000e+11 0.160 9.195 + +! Reaction index: Chemkin #4474; RMG #4474 +! Library reaction: restart +! Flux pairs: C6H8R(287), C12H16R2(315); C6H8R(287), C12H16R2(315); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C6H8R(287)+C6H8R(287)<=>C12H16R2(315) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #4475; RMG #4475 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(298), C11H14(276); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C11H13(298)<=>C3H5(102)+C11H14(276) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #4476; RMG #4476 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(276), C11H13(298); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C11H14(276)<=>CCL(26)+C11H13(298) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #4477; RMG #4477 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H7R(60), C10H14R(316); C6H7(239), C10H14R(316); +! From training reaction 260 used for Cds-HH_Cds-CsCs;CsJ-CdCsH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C4H7R(60)+C6H7(239)<=>C10H14R(316) 4.860000e+03 2.410 10.980 + +! Reaction index: Chemkin #4478; RMG #4478 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(65)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 4.481 + +! Reaction index: Chemkin #4479; RMG #4479 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(69)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 4.481 + +! Reaction index: Chemkin #4480; RMG #4480 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(66)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 4.144 + +! Reaction index: Chemkin #4481; RMG #4481 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(68)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 4.144 + +! Reaction index: Chemkin #4482; RMG #4482 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(72)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 4.481 + +! Reaction index: Chemkin #4483; RMG #4483 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(73)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 3.713 + +! Reaction index: Chemkin #4484; RMG #4484 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(71)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 3.713 + +! Reaction index: Chemkin #4485; RMG #4485 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(67)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 4.144 + +! Reaction index: Chemkin #4486; RMG #4486 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(70)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 3.713 + +! Reaction index: Chemkin #4487; RMG #4487 +! Library reaction: restart +! Flux pairs: C10H20R(64), RC10(2); C10H14R(316), C10H13R(240); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H14R(316)+C10H20R(64)<=>C10H13R(240)+RC10(2) 1.225850e+27 -4.376 4.144 + +! Reaction index: Chemkin #4488; RMG #4488 +! Library reaction: restart +! Flux pairs: C10H20L(76), LC10(3); C10H14R(316), C10H13R(240); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H14R(316)+C10H20L(76)<=>C10H13R(240)+LC10(3) 1.225850e+27 -4.376 4.144 + +! Reaction index: Chemkin #4489; RMG #4489 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C10H14R(316)<=>C3H5R(12)+C10H13R(240) 1.225850e+27 -4.376 6.748 + +! Reaction index: Chemkin #4490; RMG #4490 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C10H14R(316)<=>CC(C)L(13)+C10H13R(240) 1.225850e+27 -4.376 3.713 + +! Reaction index: Chemkin #4491; RMG #4491 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C10H14R(316)<=>CCCC(C)L(16)+C10H13R(240) 1.225850e+27 -4.376 4.144 + +! Reaction index: Chemkin #4492; RMG #4492 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C10H14R(316)<=>C6H11R(17)+C10H13R(240) 1.225850e+27 -4.376 6.874 + +! Reaction index: Chemkin #4493; RMG #4493 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C10H14R(316)<=>C3H6(18)+C10H13R(240) 2.451710e+27 -4.376 6.124 + +! Reaction index: Chemkin #4494; RMG #4494 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C10H14R(316)<=>CC(C)CR(20)+C10H13R(240) 1.225850e+27 -4.376 3.713 + +! Reaction index: Chemkin #4495; RMG #4495 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C10H14R(316)<=>CR(22)+C10H13R(240) 1.225850e+27 -4.376 3.713 + +! Reaction index: Chemkin #4496; RMG #4496 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H14R(9)+C10H14R(316)<=>CC(C)CC(C)CR(23)+C10H13R(240) 1.225850e+27 -4.376 3.713 + +! Reaction index: Chemkin #4497; RMG #4497 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C10H14R(316)<=>C5H9L(24)+C10H13R(240) 1.225850e+27 -4.376 6.874 + +! Reaction index: Chemkin #4498; RMG #4498 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H12L(11)+C10H14R(316)<=>CC(C)CC(C)L(25)+C10H13R(240) 1.225850e+27 -4.376 3.713 + +! Reaction index: Chemkin #4499; RMG #4499 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C10H14R(316)<=>CCL(26)+C10H13R(240) 1.225850e+27 -4.376 4.144 + +! Reaction index: Chemkin #4500; RMG #4500 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C10H14R(316)<=>CCCR(27)+C10H13R(240) 1.225850e+27 -4.376 4.144 + +! Reaction index: Chemkin #4501; RMG #4501 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C10H14R(316)<=>CCCC(C)CR(32)+C10H13R(240) 1.225850e+27 -4.376 4.144 + +! Reaction index: Chemkin #4502; RMG #4502 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C10H14R(316)<=>CC(L)CC(C)L(35)+C10H13R(240) 1.225850e+27 -4.376 4.481 + +! Reaction index: Chemkin #4503; RMG #4503 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C10H14R(316)<=>C8H17L(49)+C10H13R(240) 1.225850e+27 -4.376 4.144 + +! Reaction index: Chemkin #4504; RMG #4504 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C10H14R(316)<=>C6H11R(56)+C10H13R(240) 1.225850e+27 -4.376 7.179 + +! Reaction index: Chemkin #4505; RMG #4505 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C10H14R(316)<=>C6H11R(56)+C10H13R(240) 1.225850e+27 -4.376 6.099 + +! Reaction index: Chemkin #4506; RMG #4506 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C10H14R(316)<=>C5H9L(57)+C10H13R(240) 1.225850e+27 -4.376 7.179 + +! Reaction index: Chemkin #4507; RMG #4507 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C10H14R(316)<=>C5H9L(57)+C10H13R(240) 1.225850e+27 -4.376 6.099 + +! Reaction index: Chemkin #4508; RMG #4508 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C10H14R(316)<=>C3H5R(58)+C10H13R(240) 1.225850e+27 -4.376 6.099 + +! Reaction index: Chemkin #4509; RMG #4509 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C10H14R(316)<=>C3H5L(59)+C10H13R(240) 2.451710e+27 -4.376 6.099 + +! Reaction index: Chemkin #4510; RMG #4510 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C10H14R(316)<=>C4H7R(60)+C10H13R(240) 2.451710e+27 -4.376 6.099 + +! Reaction index: Chemkin #4511; RMG #4511 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C10H14R(316)<=>C4H7R(60)+C10H13R(240) 1.225850e+27 -4.376 6.748 + +! Reaction index: Chemkin #4512; RMG #4512 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H14L(112)+C10H14R(316)<=>C8H15L(61)+C10H13R(240) 1.225850e+27 -4.376 7.179 + +! Reaction index: Chemkin #4513; RMG #4513 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C10H14R(316)<=>C7H13R(62)+C10H13R(240) 1.225850e+27 -4.376 6.874 + +! Reaction index: Chemkin #4514; RMG #4514 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C10H14R(316)<=>C6H11L(63)+C10H13R(240) 1.225850e+27 -4.376 6.874 + +! Reaction index: Chemkin #4515; RMG #4515 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C10H14R(316)<=>C(75)+C10H13R(240) 1.225850e+27 -4.376 3.120 + +! Reaction index: Chemkin #4516; RMG #4516 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C10H14R(316)<=>C4H7R(81)+C10H13R(240) 1.225850e+27 -4.376 6.099 + +! Reaction index: Chemkin #4517; RMG #4517 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C10H14R(316)<=>[H][H](83)+C10H13R(240) 1.225850e+27 -4.376 3.245 + +! Reaction index: Chemkin #4518; RMG #4518 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C10H14R(316)<=>C5H9L(84)+C10H13R(240) 1.225850e+27 -4.376 6.862 + +! Reaction index: Chemkin #4519; RMG #4519 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C10H14R(316)<=>C3H5L(86)+C10H13R(240) 1.225850e+27 -4.376 6.099 + +! Reaction index: Chemkin #4520; RMG #4520 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H15(85)+C10H14R(316)<=>CC(C)CC(C)C(87)+C10H13R(240) 1.225850e+27 -4.376 3.713 + +! Reaction index: Chemkin #4521; RMG #4521 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C10H14R(316)<=>CCC(95)+C10H13R(240) 1.225850e+27 -4.376 4.127 + +! Reaction index: Chemkin #4522; RMG #4522 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C10H14R(316)<=>CCC(95)+C10H13R(240) 1.225850e+27 -4.376 3.639 + +! Reaction index: Chemkin #4523; RMG #4523 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C10H14R(316)<=>C6H11R(98)+C10H13R(240) 1.225850e+27 -4.376 6.862 + +! Reaction index: Chemkin #4524; RMG #4524 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C10H14R(316)<=>C6H11L(107)+C10H13R(240) 1.225850e+27 -4.376 7.179 + +! Reaction index: Chemkin #4525; RMG #4525 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C10H14R(316)<=>C6H11L(107)+C10H13R(240) 1.225850e+27 -4.376 6.099 + +! Reaction index: Chemkin #4526; RMG #4526 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C10H14R(316)<=>C6H10(110)+C10H13R(240) 1.225850e+27 -4.376 8.101 + +! Reaction index: Chemkin #4527; RMG #4527 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C10H14R(316)<=>C6H10(116)+C10H13R(240) 2.451710e+27 -4.376 7.443 + +! Reaction index: Chemkin #4528; RMG #4528 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C10H14R(316)<=>C6H10(116)+C10H13R(240) 1.225850e+27 -4.376 7.443 + +! Reaction index: Chemkin #4529; RMG #4529 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C10H14R(316)<=>C6H8(118)+C10H13R(240) 2.451710e+27 -4.376 6.844 + +! Reaction index: Chemkin #4530; RMG #4530 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C10H14R(316)<=>C6H8(118)+C10H13R(240) 1.225850e+27 -4.376 8.012 + +! Reaction index: Chemkin #4531; RMG #4531 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C10H14R(316)<=>C7H13R(120)+C10H13R(240) 1.225850e+27 -4.376 7.179 + +! Reaction index: Chemkin #4532; RMG #4532 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C10H14R(316)<=>C7H13R(120)+C10H13R(240) 1.225850e+27 -4.376 6.099 + +! Reaction index: Chemkin #4533; RMG #4533 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C10H14R(316)<=>C6H8(125)+C10H13R(240) 2.451710e+27 -4.376 6.924 + +! Reaction index: Chemkin #4534; RMG #4534 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C10H14R(316)<=>C4H8(157)+C10H13R(240) 2.451710e+27 -4.376 5.813 + +! Reaction index: Chemkin #4535; RMG #4535 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C10H14R(316)<=>C5H8(173)+C10H13R(240) 2.451710e+27 -4.376 8.012 + +! Reaction index: Chemkin #4536; RMG #4536 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H14(179); C10H13(202), C10H13R(240); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H13(202)+C10H14R(316)<=>C10H13R(240)+C10H14(179) 1.225850e+27 -4.376 7.503 + +! Reaction index: Chemkin #4537; RMG #4537 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C10H14R(316)<=>C5H8(180)+C10H13R(240) 2.451710e+27 -4.376 7.443 + +! Reaction index: Chemkin #4538; RMG #4538 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C10H14R(316)<=>C5H6(187)+C10H13R(240) 6.129270e+27 -4.376 6.827 + +! Reaction index: Chemkin #4539; RMG #4539 +! Library reaction: restart +! Flux pairs: C11H15(234), C11H16(229); C10H14R(316), C10H13R(240); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H14R(316)+C11H15(234)<=>C10H13R(240)+C11H16(229) 1.225850e+27 -4.376 7.443 + +! Reaction index: Chemkin #4540; RMG #4540 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C10H14R(316)<=>C6H9R(285)+C10H13R(240) 1.225850e+27 -4.376 8.012 + +! Reaction index: Chemkin #4541; RMG #4541 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C10H14R(316)<=>C6H8(290)+C10H13R(240) 1.225850e+27 -4.376 8.832 + +! Reaction index: Chemkin #4542; RMG #4542 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C10H14R(316); C10H13R(240), C10H14R(316); +! From training reaction 2927 used for Cds-HH_Cds-CsCs;HJ +! Exact match found for rate rule [Cds-HH_Cds-CsCs;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C10H13R(240)<=>C10H14R(316) 1.691000e+10 1.168 2.996 + +! Reaction index: Chemkin #4543; RMG #4543 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H15R(317); C6H8R(288), C12H15R(317); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +C6H7(239)+C6H8R(288)<=>C12H15R(317) 5.000000e+13 -0.000 0.000 + +! Reaction index: Chemkin #4544; RMG #4544 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H7R(60), C10H15R2(318); C6H8R(287), C10H15R2(318); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C4H7R(60)+C6H8R(287)<=>C10H15R2(318) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #4545; RMG #4545 +! Library reaction: restart +! Flux pairs: C6H8R(287), C12H16R2(319); C6H8R(287), C12H16R2(319); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C6H8R(287)+C6H8R(287)<=>C12H16R2(319) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #4546; RMG #4546 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H15R(320); C6H8R(288), C12H15R(320); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +C6H7(239)+C6H8R(288)<=>C12H15R(320) 5.000000e+13 -0.000 0.000 + +! Reaction index: Chemkin #4547; RMG #4547 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H15R(321); C6H8R(288), C12H15R(321); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +C6H7(239)+C6H8R(288)<=>C12H15R(321) 5.000000e+13 -0.000 0.000 + +! Reaction index: Chemkin #4548; RMG #4548 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H15R(322); C6H8R(287), C12H15R(322); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C6H7(239)+C6H8R(287)<=>C12H15R(322) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #4549; RMG #4549 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C6H7(239), C12H15(323); C6H8(125), C12H15(323); +! From training reaction 50 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH +! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C6H7(239)+C6H8(125)<=>C12H15(323) 2.880000e+01 2.740 3.300 + +! Reaction index: Chemkin #4550; RMG #4550 +! Library reaction: restart +! Flux pairs: H(82), C12H16(269); C12H15(323), C12H16(269); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO +H(82)+C12H15(323)<=>C12H16(269) 3.680110e+13 -0.486 0.000 + +! Reaction index: Chemkin #4551; RMG #4551 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C12H15(323)<=>C3H5R(12)+C12H16(269) 1.225850e+27 -4.376 7.689 + +! Reaction index: Chemkin #4552; RMG #4552 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C12H15(323)<=>C6H11R(17)+C12H16(269) 1.225850e+27 -4.376 7.493 + +! Reaction index: Chemkin #4553; RMG #4553 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C12H15(323)<=>C3H6(18)+C12H16(269) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4554; RMG #4554 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C12H15(323)<=>C3H6(18)+C12H16(269) 2.451710e+27 -4.376 7.580 + +! Reaction index: Chemkin #4555; RMG #4555 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C12H15(323)<=>C2H3L(19)+C12H16(269) 1.225850e+27 -4.376 7.689 + +! Reaction index: Chemkin #4556; RMG #4556 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C12H15(323)<=>C8H15L(21)+C12H16(269) 1.225850e+27 -4.376 7.493 + +! Reaction index: Chemkin #4557; RMG #4557 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C12H15(323)<=>C5H9L(24)+C12H16(269) 1.225850e+27 -4.376 7.493 + +! Reaction index: Chemkin #4558; RMG #4558 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C12H15(323)<=>C6H11R(56)+C12H16(269) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4559; RMG #4559 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C12H15(323)<=>C5H9L(57)+C12H16(269) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4560; RMG #4560 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C12H15(323)<=>C3H5R(58)+C12H16(269) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4561; RMG #4561 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C12H15(323)<=>C3H5L(59)+C12H16(269) 5.258140e+13 -0.550 0.119 + +! Reaction index: Chemkin #4562; RMG #4562 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C12H15(323)<=>C4H7R(60)+C12H16(269) 5.258140e+13 -0.550 0.119 + +! Reaction index: Chemkin #4563; RMG #4563 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C12H15(323)<=>C8H15L(61)+C12H16(269) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4564; RMG #4564 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C12H15(323)<=>C7H13R(62)+C12H16(269) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4565; RMG #4565 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C12H15(323)<=>C6H11L(63)+C12H16(269) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4566; RMG #4566 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C12H15(323)<=>C6H8(118)+C12H16(269) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4567; RMG #4567 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C12H15(323)<=>C6H8(125)+C12H16(269) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4568; RMG #4568 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C12H15(323)<=>C6H8(125)+C12H16(269) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4569; RMG #4569 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C12H15(323)<=>C5H6(187)+C12H16(269) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4570; RMG #4570 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C12H15(323)<=>C6H6(252)+C12H16(269) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4571; RMG #4571 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C12H15(323)<=>C6H6(252)+C12H16(269) 1.225850e+27 -4.376 11.468 + +! Reaction index: Chemkin #4572; RMG #4572 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C12H15(323)<=>C5H7L(262)+C12H16(269) 5.258140e+13 -0.550 0.808 + +! Reaction index: Chemkin #4573; RMG #4573 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C12H15(323)<=>C5H7L(262)+C12H16(269) 1.225850e+27 -4.376 10.329 + +! Reaction index: Chemkin #4574; RMG #4574 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C12H15(323)<=>C8H12(194)+C12H16(269) 1.225850e+27 -4.376 7.689 + +! Reaction index: Chemkin #4575; RMG #4575 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(323), C12H16(269); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C12H15(323)<=>C6H7(239)+C12H16(269) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #4576; RMG #4576 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(323), C12H16(269); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C12H15(323)<=>C6H7(239)+C12H16(269) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #4577; RMG #4577 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(323), C12H16(269); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C12H15(323)<=>C5H7(174)+C12H16(269) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #4578; RMG #4578 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C10H14R(316), C10H13R(240); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H14R(316)+C12H15(323)<=>C10H13R(240)+C12H16(269) 1.225850e+27 -4.376 7.503 + +! Reaction index: Chemkin #4579; RMG #4579 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C11H15(256), C11H14(271); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H15(256)+C12H15(323)<=>C11H14(271)+C12H16(269) 1.225850e+27 -4.376 10.132 + +! Reaction index: Chemkin #4580; RMG #4580 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C12H15(323)<=>C9H12(272)+C12H16(269) 1.225850e+27 -4.376 7.689 + +! Reaction index: Chemkin #4581; RMG #4581 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C12H15(323)<=>C6H9R(285)+C12H16(269) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4582; RMG #4582 +! Library reaction: restart +! Flux pairs: C12H15(323), C12H16(269); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C12H15(323)<=>C6H8(290)+C12H16(269) 1.225850e+27 -4.376 11.307 + +! Reaction index: Chemkin #4583; RMG #4583 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H5R(220), C10H12R(324); C6H7(239), C10H12R(324); +! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C4H5R(220)+C6H7(239)<=>C10H12R(324) 2.490000e+04 2.410 8.810 + +! Reaction index: Chemkin #4584; RMG #4584 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C6H11L(325), C6H10L(169); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C9H17LR(65)<=>C6H10L(169)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #4585; RMG #4585 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C6H11L(325), C6H10L(169); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C9H17LR(69)<=>C6H10L(169)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #4586; RMG #4586 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H11L(325), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C9H17LR(66)<=>C6H10L(169)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4587; RMG #4587 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H11L(325), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C9H17LR(68)<=>C6H10L(169)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4588; RMG #4588 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C6H11L(325), C6H10L(169); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C9H17LR(72)<=>C6H10L(169)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #4589; RMG #4589 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H11L(325), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C9H17LR(73)<=>C6H10L(169)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4590; RMG #4590 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H11L(325), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C9H17LR(71)<=>C6H10L(169)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4591; RMG #4591 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H11L(325), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C9H17LR(67)<=>C6H10L(169)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4592; RMG #4592 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H11L(325), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C9H17LR(70)<=>C6H10L(169)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4593; RMG #4593 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H11L(325), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C10H20R(64)<=>C6H10L(169)+RC10(2) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4594; RMG #4594 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H11L(325), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C10H20L(76)<=>C6H10L(169)+LC10(3) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4595; RMG #4595 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C3H4R(78), C3H5R(12); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+C6H11L(325)<=>C3H5R(12)+C6H10L(169) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4596; RMG #4596 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H11L(325)<=>CC(C)L(13)+C6H10L(169) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4597; RMG #4597 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H11L(325)<=>CCCC(C)L(16)+C6H10L(169) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4598; RMG #4598 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H11R(17); C6H10R(171), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+C6H11L(325)<=>C6H10L(169)+C6H11R(17) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4599; RMG #4599 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C3H5(102), C3H6(18); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5(102)+C6H11L(325)<=>C3H6(18)+C6H10L(169) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #4600; RMG #4600 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H11L(325)<=>CC(C)CR(20)+C6H10L(169) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4601; RMG #4601 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]R(14)+C6H11L(325)<=>CR(22)+C6H10L(169) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4602; RMG #4602 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H11L(325), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C7H14R(9)<=>C6H10L(169)+CC(C)CC(C)CR(23) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4603; RMG #4603 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C5H8L(89), C5H9L(24); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+C6H11L(325)<=>C5H9L(24)+C6H10L(169) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4604; RMG #4604 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H11L(325), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C6H12L(11)<=>C6H10L(169)+CC(C)CC(C)L(25) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4605; RMG #4605 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]L(8)+C6H11L(325)<=>CCL(26)+C6H10L(169) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4606; RMG #4606 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CR(10)+C6H11L(325)<=>CCCR(27)+C6H10L(169) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4607; RMG #4607 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H11L(325), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C[CH]CC(C)CR(5)<=>C6H10L(169)+CCCC(C)CR(32) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4608; RMG #4608 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C5H9L2(203), CC(L)CC(C)L(35); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L2(203)+C6H11L(325)<=>CC(L)CC(C)L(35)+C6H10L(169) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #4609; RMG #4609 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H11L(325), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C8H16L(15)<=>C6H10L(169)+C8H17L(49) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4610; RMG #4610 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H11R(56); C6H10R(90), C6H10L(169); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(90)+C6H11L(325)<=>C6H10L(169)+C6H11R(56) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #4611; RMG #4611 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H11R(56); C6H10R(171), C6H10L(169); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+C6H11L(325)<=>C6H10L(169)+C6H11R(56) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4612; RMG #4612 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C5H8L(77), C5H9L(57); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(77)+C6H11L(325)<=>C5H9L(57)+C6H10L(169) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #4613; RMG #4613 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C5H8L(89), C5H9L(57); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+C6H11L(325)<=>C5H9L(57)+C6H10L(169) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4614; RMG #4614 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C3H4R(78), C3H5R(58); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+C6H11L(325)<=>C3H5R(58)+C6H10L(169) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4615; RMG #4615 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(147)+C6H11L(325)<=>C3H5L(59)+C6H10L(169) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #4616; RMG #4616 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(224)+C6H11L(325)<=>C4H7R(60)+C6H10L(169) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #4617; RMG #4617 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C4H6R(79), C4H7R(60); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6R(79)+C6H11L(325)<=>C4H7R(60)+C6H10L(169) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4618; RMG #4618 +! Template reaction: H_Abstraction +! Flux pairs: C8H14L(112), C8H15L(61); C6H11L(325), C6H10L(169); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C8H14L(112)<=>C6H10L(169)+C8H15L(61) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #4619; RMG #4619 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C6H11L(325), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C7H12R(108)<=>C6H10L(169)+C7H13R(62) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4620; RMG #4620 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H11L(63); C6H10L(103), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(103)+C6H11L(325)<=>C6H10L(169)+C6H11L(63) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4621; RMG #4621 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); CH3(74), C(75); +! From training reaction 1082 used for C/H/Cs2Cd;C_methyl +! Exact match found for rate rule [C/H/Cs2Cd;C_methyl] +! Euclidian distance = 0 +! family: H_Abstraction +CH3(74)+C6H11L(325)<=>C(75)+C6H10L(169) 5.870000e-03 4.340 2.200 + +! Reaction index: Chemkin #4622; RMG #4622 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6R(79)+C6H11L(325)<=>C4H7R(81)+C6H10L(169) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4623; RMG #4623 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); H(82), [H][H](83); +! From training reaction 1081 used for C/H/Cs2Cd;H_rad +! Exact match found for rate rule [C/H/Cs2Cd;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(82)+C6H11L(325)<=>[H][H](83)+C6H10L(169) 2.480000e-01 4.340 0.100 + +! Reaction index: Chemkin #4624; RMG #4624 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C5H8L(77), C5H9L(84); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(77)+C6H11L(325)<=>C5H9L(84)+C6H10L(169) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4625; RMG #4625 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C3H4L(219), C3H5L(86); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4L(219)+C6H11L(325)<=>C3H5L(86)+C6H10L(169) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4626; RMG #4626 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H11L(325), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C7H15(85)<=>C6H10L(169)+CC(C)CC(C)C(87) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4627; RMG #4627 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C[CH]C(94), CCC(95); +! From training reaction 1084 used for C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]C(94)+C6H11L(325)<=>CCC(95)+C6H10L(169) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4628; RMG #4628 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]CC(195)+C6H11L(325)<=>CCC(95)+C6H10L(169) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4629; RMG #4629 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H11R(98); C6H10R(90), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(90)+C6H11L(325)<=>C6H10L(169)+C6H11R(98) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4630; RMG #4630 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H11L(107); C6H10L(169), C6H10L(169); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(169)+C6H11L(325)<=>C6H10L(169)+C6H11L(107) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #4631; RMG #4631 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H11L(107); C6H10L(103), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(103)+C6H11L(325)<=>C6H10L(169)+C6H11L(107) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4632; RMG #4632 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C6H9(113), C6H10(110); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(113)+C6H11L(325)<=>C6H10(110)+C6H10L(169) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4633; RMG #4633 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C6H9(160), C6H10(116); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9(160)+C6H11L(325)<=>C6H10(116)+C6H10L(169) 2.300000e-03 4.340 9.300 + +! Reaction index: Chemkin #4634; RMG #4634 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C6H9(114), C6H10(116); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(114)+C6H11L(325)<=>C6H10(116)+C6H10L(169) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4635; RMG #4635 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C6H7(123), C6H8(118); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H7(123)+C6H11L(325)<=>C6H8(118)+C6H10L(169) 2.920000e-03 4.340 12.900 + +! Reaction index: Chemkin #4636; RMG #4636 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(169), C6H11L(325); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/CdCs2] for rate rule [2_methyl_CPD;C_rad/CdCs2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C6H10L(169)<=>C6H7(239)+C6H11L(325) 4.200000e-04 4.340 13.600 + +! Reaction index: Chemkin #4637; RMG #4637 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(199), C7H13R(120); C6H11L(325), C6H10L(169); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C7H12R(199)<=>C6H10L(169)+C7H13R(120) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #4638; RMG #4638 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C6H11L(325), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C7H12R(108)<=>C6H10L(169)+C7H13R(120) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4639; RMG #4639 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C6H7(123), C6H8(125); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H7(123)+C6H11L(325)<=>C6H8(125)+C6H10L(169) 2.920000e-03 4.340 12.900 + +! Reaction index: Chemkin #4640; RMG #4640 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C4H7(156), C4H8(157); +! Estimated using template [C/H/Cs2Cd;C_rad/H2/Cd] for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7(156)+C6H11L(325)<=>C4H8(157)+C6H10L(169) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #4641; RMG #4641 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C5H7(174), C5H8(173); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(174)+C6H11L(325)<=>C5H8(173)+C6H10L(169) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #4642; RMG #4642 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H10L(169)<=>C5H6(187)+C6H11L(325) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4643; RMG #4643 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C6H11L(325), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C10H13(202)<=>C6H10L(169)+C10H14(179) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4644; RMG #4644 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C5H7(178), C5H8(180); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(178)+C6H11L(325)<=>C5H8(180)+C6H10L(169) 2.300000e-03 4.340 9.300 + +! Reaction index: Chemkin #4645; RMG #4645 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C5H5(189), C5H6(187); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 5.0 +! family: H_Abstraction +C5H5(189)+C6H11L(325)<=>C5H6(187)+C6H10L(169) 7.300000e-03 4.340 12.900 + +! Reaction index: Chemkin #4646; RMG #4646 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C6H11L(325), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C11H15(234)<=>C6H10L(169)+C11H16(229) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4647; RMG #4647 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H10L(169)<=>C6H6(252)+C6H11L(325) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4648; RMG #4648 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C6H8R(287), C6H9R(285); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+C6H11L(325)<=>C6H9R(285)+C6H10L(169) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4649; RMG #4649 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C6H7(239), C6H8(290); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H7(239)+C6H11L(325)<=>C6H8(290)+C6H10L(169) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4650; RMG #4650 +! Library reaction: restart +! Flux pairs: CH3(74), C6H11L(325); C5H8L(77), C6H11L(325); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +CH3(74)+C5H8L(77)<=>C6H11L(325) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #4651; RMG #4651 +! Library reaction: restart +! Flux pairs: H(82), C6H11L(325); C6H10L(169), C6H11L(325); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R +H(82)+C6H10L(169)<=>C6H11L(325) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #4652; RMG #4652 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H10L(169)<=>C3H5R(12)+C6H11L(325) 1.225850e+27 -4.376 7.402 + +! Reaction index: Chemkin #4653; RMG #4653 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11L(325); C6H10L(169), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C[CH]CC(C)CR(5)<=>C6H11R(17)+C6H11L(325) 1.225850e+27 -4.376 7.210 + +! Reaction index: Chemkin #4654; RMG #4654 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H10L(169)<=>C3H6(18)+C6H11L(325) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4655; RMG #4655 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C6H10L(169)<=>C3H6(18)+C6H11L(325) 2.451710e+27 -4.376 7.295 + +! Reaction index: Chemkin #4656; RMG #4656 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H10L(169)<=>C2H3L(19)+C6H11L(325) 1.225850e+27 -4.376 7.402 + +! Reaction index: Chemkin #4657; RMG #4657 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C8H16L(15)<=>C6H11L(325)+C8H15L(21) 1.225850e+27 -4.376 7.210 + +! Reaction index: Chemkin #4658; RMG #4658 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H10L(169)<=>C5H9L(24)+C6H11L(325) 1.225850e+27 -4.376 7.210 + +! Reaction index: Chemkin #4659; RMG #4659 +! Library reaction: restart +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C[CH]CC(C)CR(5)<=>C6H11L(325)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4660; RMG #4660 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H10L(169)<=>C5H9L(57)+C6H11L(325) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4661; RMG #4661 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H10L(169)<=>C3H5R(58)+C6H11L(325) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4662; RMG #4662 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C6H10L(169)<=>C3H5L(59)+C6H11L(325) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4663; RMG #4663 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C6H10L(169)<=>C4H7R(60)+C6H11L(325) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4664; RMG #4664 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C8H16L(15)<=>C6H11L(325)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4665; RMG #4665 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(62); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10L(169)+C7H14R(9)<=>C6H11L(325)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4666; RMG #4666 +! Library reaction: restart +! Flux pairs: C6H12L(11), C6H11L(325); C6H10L(169), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10L(169)+C6H12L(11)<=>C6H11L(63)+C6H11L(325) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4667; RMG #4667 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H10L(169)<=>C6H8(118)+C6H11L(325) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4668; RMG #4668 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C6H10L(169)<=>C6H8(125)+C6H11L(325) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4669; RMG #4669 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C6H10L(169)<=>C6H8(125)+C6H11L(325) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4670; RMG #4670 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C8H13(191)<=>C6H11L(325)+C8H12(194) 1.225850e+27 -4.376 7.402 + +! Reaction index: Chemkin #4671; RMG #4671 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C6H10L(169)<=>C6H6(252)+C6H11L(325) 1.225850e+27 -4.376 11.099 + +! Reaction index: Chemkin #4672; RMG #4672 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C6H10L(169)<=>C5H7L(262)+C6H11L(325) 5.258140e+13 -0.550 0.687 + +! Reaction index: Chemkin #4673; RMG #4673 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H10L(169)<=>C5H7L(262)+C6H11L(325) 1.225850e+27 -4.376 9.983 + +! Reaction index: Chemkin #4674; RMG #4674 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C6H10L(169)<=>C6H9R(285)+C6H11L(325) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4675; RMG #4675 +! Library reaction: restart +! Flux pairs: C6H10L(169), C6H11L(325); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C6H10L(169)<=>C6H8(290)+C6H11L(325) 1.225850e+27 -4.376 10.941 + +! Reaction index: Chemkin #4676; RMG #4676 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C10H15(183)<=>C6H11L(325)+C10H14(184) 1.225850e+27 -4.376 9.790 + +! Reaction index: Chemkin #4677; RMG #4677 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C10H13(202)<=>C6H11L(325)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4678; RMG #4678 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C10H14R(316)<=>C6H11L(325)+C10H13R(240) 1.225850e+27 -4.376 7.220 + +! Reaction index: Chemkin #4679; RMG #4679 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C12H15(283)<=>C6H11L(325)+C12H14(244) 1.225850e+27 -4.376 11.018 + +! Reaction index: Chemkin #4680; RMG #4680 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C11H15(256)<=>C6H11L(325)+C11H14(271) 1.225850e+27 -4.376 9.790 + +! Reaction index: Chemkin #4681; RMG #4681 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C9H13(260)<=>C6H11L(325)+C9H12(272) 1.225850e+27 -4.376 7.402 + +! Reaction index: Chemkin #4682; RMG #4682 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C11H15(226)<=>C6H11L(325)+C11H14(278) 1.225850e+27 -4.376 11.018 + +! Reaction index: Chemkin #4683; RMG #4683 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7L(104), C11H14L(326); C6H7(239), C11H14L(326); +! Estimated using template [Cds-CsH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-CdH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C5H7L(104)+C6H7(239)<=>C11H14L(326) 1.190000e+04 2.410 10.290 + +! Reaction index: Chemkin #4684; RMG #4684 +! Library reaction: restart +! Flux pairs: C11H14L(326), C11H14L(327); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R_Ext-8R!H-R_Sp-9R!H-8R!H +C11H14L(326)<=>C11H14L(327) 9.450000e+10 0.290 11.829 + +! Reaction index: Chemkin #4685; RMG #4685 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(323), C12H16(269); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C12H15(323)<=>C3H5(102)+C12H16(269) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #4686; RMG #4686 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C2H3L(19), C8H10L(328); C6H7(239), C8H10L(328); +! Estimated using an average for rate rule [Cds-HH_Cds-CsH;CsJ-CdCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C2H3L(19)+C6H7(239)<=>C8H10L(328) 3.860000e+03 2.410 11.370 + +! Reaction index: Chemkin #4687; RMG #4687 +! Library reaction: restart +! Flux pairs: C5H5(189), C11H12(329); C6H7(239), C11H12(329); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing +! Multiplied by reaction path degeneracy 5.0 +C5H5(189)+C6H7(239)<=>C11H12(329) 2.500000e+14 -0.000 0.000 + +! Reaction index: Chemkin #4688; RMG #4688 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C11H13(298); C11H12(329), C11H13(298); +! From training reaction 11 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ +! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +H(82)+C11H12(329)<=>C11H13(298) 3.300000e+09 1.480 0.900 + +! Reaction index: Chemkin #4689; RMG #4689 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(323), C12H16(269); RC10L(1), C9H17LR(65); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C12H15(323)<=>C9H17LR(65)+C12H16(269) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #4690; RMG #4690 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(323), C12H16(269); RC10L(1), C9H17LR(69); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C12H15(323)<=>C9H17LR(69)+C12H16(269) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #4691; RMG #4691 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(269), C12H15(323); C9H17LR(66), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(66)+C12H16(269)<=>RC10L(1)+C12H15(323) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #4692; RMG #4692 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(269), C12H15(323); C9H17LR(68), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(68)+C12H16(269)<=>RC10L(1)+C12H15(323) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #4693; RMG #4693 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(323), C12H16(269); RC10L(1), C9H17LR(72); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C12H15(323)<=>C9H17LR(72)+C12H16(269) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #4694; RMG #4694 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(269), C12H15(323); C9H17LR(73), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(73)+C12H16(269)<=>RC10L(1)+C12H15(323) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4695; RMG #4695 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(269), C12H15(323); C9H17LR(71), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(71)+C12H16(269)<=>RC10L(1)+C12H15(323) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4696; RMG #4696 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(269), C12H15(323); C9H17LR(67), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(67)+C12H16(269)<=>RC10L(1)+C12H15(323) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #4697; RMG #4697 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(269), C12H15(323); C9H17LR(70), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(70)+C12H16(269)<=>RC10L(1)+C12H15(323) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4698; RMG #4698 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(65)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4699; RMG #4699 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(69)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4700; RMG #4700 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(66)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4701; RMG #4701 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(68)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4702; RMG #4702 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(72)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4703; RMG #4703 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(73)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4704; RMG #4704 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(71)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4705; RMG #4705 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(67)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4706; RMG #4706 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(70)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4707; RMG #4707 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C10H20R(64), RC10(2); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H20R(64)+C11H13(298)<=>RC10(2)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4708; RMG #4708 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C10H20L(76), LC10(3); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H20L(76)+C11H13(298)<=>LC10(3)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4709; RMG #4709 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C11H13(298)<=>C3H5R(12)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4710; RMG #4710 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C11H13(298)<=>CC(C)L(13)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4711; RMG #4711 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C11H13(298)<=>CCCC(C)L(16)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4712; RMG #4712 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C11H13(298)<=>C6H11R(17)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4713; RMG #4713 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C11H13(298)<=>C3H6(18)+C11H12(329) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4714; RMG #4714 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C11H13(298)<=>CC(C)CR(20)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4715; RMG #4715 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C11H13(298)<=>CR(22)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4716; RMG #4716 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H14R(9)+C11H13(298)<=>CC(C)CC(C)CR(23)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4717; RMG #4717 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C11H13(298)<=>C5H9L(24)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4718; RMG #4718 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H12L(11)+C11H13(298)<=>CC(C)CC(C)L(25)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4719; RMG #4719 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(269), C12H15(323); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C12H16(269)<=>CCL(26)+C12H15(323) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #4720; RMG #4720 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C11H13(298)<=>CCL(26)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4721; RMG #4721 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(269), C12H15(323); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C12H16(269)<=>CCCR(27)+C12H15(323) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #4722; RMG #4722 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C11H13(298)<=>CCCR(27)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4723; RMG #4723 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C11H13(298)<=>CCCC(C)CR(32)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4724; RMG #4724 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9L2(203)+C11H13(298)<=>CC(L)CC(C)L(35)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4725; RMG #4725 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C11H13(298)<=>C8H17L(49)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4726; RMG #4726 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C11H13(298)<=>C6H11R(56)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4727; RMG #4727 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C11H13(298)<=>C6H11R(56)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4728; RMG #4728 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C11H13(298)<=>C5H9L(57)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4729; RMG #4729 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C11H13(298)<=>C5H9L(57)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4730; RMG #4730 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(269), C12H15(323); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C12H16(269)<=>C3H5R(58)+C12H15(323) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #4731; RMG #4731 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C11H13(298)<=>C3H5R(58)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4732; RMG #4732 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(269), C12H15(323); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C12H16(269)<=>C3H5L(59)+C12H15(323) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #4733; RMG #4733 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C11H13(298)<=>C3H5L(59)+C11H12(329) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4734; RMG #4734 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(224)+C11H13(298)<=>C4H7R(60)+C11H12(329) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4735; RMG #4735 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C11H13(298)<=>C4H7R(60)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4736; RMG #4736 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H14L(112)+C11H13(298)<=>C8H15L(61)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4737; RMG #4737 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(108)+C11H13(298)<=>C7H13R(62)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4738; RMG #4738 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C11H13(298)<=>C6H11L(63)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4739; RMG #4739 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C11H13(298)<=>C(75)+C11H12(329) 1.150000e+13 -0.320 0.000 +DUPLICATE + +! Reaction index: Chemkin #4740; RMG #4740 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(74)+C11H13(298)<=>C(75)+C11H12(329) 9.124700e+12 -0.160 0.000 +DUPLICATE + +! Reaction index: Chemkin #4741; RMG #4741 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(269), C12H15(323); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C12H16(269)<=>C4H7R(81)+C12H15(323) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #4742; RMG #4742 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C11H13(298)<=>C4H7R(81)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4743; RMG #4743 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C11H13(298)<=>[H][H](83)+C11H12(329) 1.191690e+10 0.568 0.000 + +! Reaction index: Chemkin #4744; RMG #4744 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C11H13(298)<=>C5H9L(84)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4745; RMG #4745 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C11H13(298)<=>C3H5L(86)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4746; RMG #4746 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H15(85)+C11H13(298)<=>CC(C)CC(C)C(87)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4747; RMG #4747 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]C(94)+C11H13(298)<=>CCC(95)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4748; RMG #4748 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C11H13(298)<=>CCC(95)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4749; RMG #4749 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C11H13(298)<=>C6H11R(98)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4750; RMG #4750 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C11H13(298)<=>C6H11L(107)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4751; RMG #4751 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C11H13(298)<=>C6H11L(107)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4752; RMG #4752 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(113)+C11H13(298)<=>C6H10(110)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4753; RMG #4753 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C11H13(298)<=>C6H10(116)+C11H12(329) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4754; RMG #4754 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C11H13(298)<=>C6H10(116)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4755; RMG #4755 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C11H13(298)<=>C6H8(118)+C11H12(329) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4756; RMG #4756 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C11H13(298)<=>C6H8(118)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4757; RMG #4757 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(199)+C11H13(298)<=>C7H13R(120)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4758; RMG #4758 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(108)+C11H13(298)<=>C7H13R(120)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4759; RMG #4759 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C11H13(298)<=>C6H8(125)+C11H12(329) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4760; RMG #4760 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H7(156)+C11H13(298)<=>C4H8(157)+C11H12(329) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4761; RMG #4761 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C11H13(298)<=>C5H8(173)+C11H12(329) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4762; RMG #4762 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C11H13(298)<=>C5H8(180)+C11H12(329) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4763; RMG #4763 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C5H5(189)+C11H13(298)<=>C5H6(187)+C11H12(329) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #4764; RMG #4764 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C11H13(298)<=>C6H9R(285)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4765; RMG #4765 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C11H13(298)<=>C6H8(290)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4766; RMG #4766 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C11H13(298)<=>C6H11L(325)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4767; RMG #4767 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C7H13R(330), C7H12R(199); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C9H17LR(65)<=>C7H12R(199)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #4768; RMG #4768 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C7H13R(330), C7H12R(199); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C9H17LR(69)<=>C7H12R(199)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #4769; RMG #4769 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C7H13R(330), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C9H17LR(66)<=>C7H12R(199)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4770; RMG #4770 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C7H13R(330), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C9H17LR(68)<=>C7H12R(199)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4771; RMG #4771 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C7H13R(330), C7H12R(199); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C9H17LR(72)<=>C7H12R(199)+RC10L(1) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #4772; RMG #4772 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C7H13R(330), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C9H17LR(73)<=>C7H12R(199)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4773; RMG #4773 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C7H13R(330), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C9H17LR(71)<=>C7H12R(199)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4774; RMG #4774 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C7H13R(330), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C9H17LR(67)<=>C7H12R(199)+RC10L(1) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4775; RMG #4775 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C7H13R(330), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C9H17LR(70)<=>C7H12R(199)+RC10L(1) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4776; RMG #4776 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C7H13R(330), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C10H20R(64)<=>C7H12R(199)+RC10(2) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4777; RMG #4777 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C7H13R(330), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C10H20L(76)<=>C7H12R(199)+LC10(3) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4778; RMG #4778 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C3H4R(78), C3H5R(12); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+C7H13R(330)<=>C3H5R(12)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4779; RMG #4779 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)L(4)+C7H13R(330)<=>CC(C)L(13)+C7H12R(199) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4780; RMG #4780 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C7H13R(330)<=>CCCC(C)L(16)+C7H12R(199) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4781; RMG #4781 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C6H10R(171), C6H11R(17); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+C7H13R(330)<=>C6H11R(17)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4782; RMG #4782 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C3H5(102), C3H6(18); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5(102)+C7H13R(330)<=>C3H6(18)+C7H12R(199) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #4783; RMG #4783 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C7H13R(330)<=>CC(C)CR(20)+C7H12R(199) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4784; RMG #4784 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]R(14)+C7H13R(330)<=>CR(22)+C7H12R(199) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4785; RMG #4785 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C7H13R(330), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C7H14R(9)<=>C7H12R(199)+CC(C)CC(C)CR(23) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4786; RMG #4786 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C5H8L(89), C5H9L(24); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+C7H13R(330)<=>C5H9L(24)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4787; RMG #4787 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H12L(11)+C7H13R(330)<=>CC(C)CC(C)L(25)+C7H12R(199) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4788; RMG #4788 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]L(8)+C7H13R(330)<=>CCL(26)+C7H12R(199) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4789; RMG #4789 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CR(10)+C7H13R(330)<=>CCCR(27)+C7H12R(199) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4790; RMG #4790 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]CC(C)CR(5)+C7H13R(330)<=>CCCC(C)CR(32)+C7H12R(199) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4791; RMG #4791 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C6H10R(90), C6H11R(56); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(90)+C7H13R(330)<=>C6H11R(56)+C7H12R(199) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #4792; RMG #4792 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C6H10R(171), C6H11R(56); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(171)+C7H13R(330)<=>C6H11R(56)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4793; RMG #4793 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C5H8L(77), C5H9L(57); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(77)+C7H13R(330)<=>C5H9L(57)+C7H12R(199) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #4794; RMG #4794 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C5H8L(89), C5H9L(57); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(89)+C7H13R(330)<=>C5H9L(57)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4795; RMG #4795 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C3H4R(78), C3H5R(58); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4R(78)+C7H13R(330)<=>C3H5R(58)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4796; RMG #4796 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(147)+C7H13R(330)<=>C3H5L(59)+C7H12R(199) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #4797; RMG #4797 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(224)+C7H13R(330)<=>C4H7R(60)+C7H12R(199) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #4798; RMG #4798 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C4H6R(79), C4H7R(60); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6R(79)+C7H13R(330)<=>C4H7R(60)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4799; RMG #4799 +! Template reaction: H_Abstraction +! Flux pairs: C8H14L(112), C8H15L(61); C7H13R(330), C7H12R(199); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C8H14L(112)<=>C7H12R(199)+C8H15L(61) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #4800; RMG #4800 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H13R(62); C7H12R(108), C7H12R(199); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H12R(108)+C7H13R(330)<=>C7H12R(199)+C7H13R(62) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4801; RMG #4801 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C6H10L(103), C6H11L(63); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(103)+C7H13R(330)<=>C6H11L(63)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4802; RMG #4802 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); CH3(74), C(75); +! From training reaction 1082 used for C/H/Cs2Cd;C_methyl +! Exact match found for rate rule [C/H/Cs2Cd;C_methyl] +! Euclidian distance = 0 +! family: H_Abstraction +CH3(74)+C7H13R(330)<=>C(75)+C7H12R(199) 5.870000e-03 4.340 2.200 + +! Reaction index: Chemkin #4803; RMG #4803 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6R(79)+C7H13R(330)<=>C4H7R(81)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4804; RMG #4804 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); H(82), [H][H](83); +! From training reaction 1081 used for C/H/Cs2Cd;H_rad +! Exact match found for rate rule [C/H/Cs2Cd;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(82)+C7H13R(330)<=>[H][H](83)+C7H12R(199) 2.480000e-01 4.340 0.100 + +! Reaction index: Chemkin #4805; RMG #4805 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C5H8L(77), C5H9L(84); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H8L(77)+C7H13R(330)<=>C5H9L(84)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4806; RMG #4806 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C3H4L(219), C3H5L(86); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C3H4L(219)+C7H13R(330)<=>C3H5L(86)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4807; RMG #4807 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C7H13R(330), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C7H15(85)<=>C7H12R(199)+CC(C)CC(C)C(87) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4808; RMG #4808 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C[CH]C(94), CCC(95); +! From training reaction 1084 used for C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! family: H_Abstraction +C[CH]C(94)+C7H13R(330)<=>CCC(95)+C7H12R(199) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4809; RMG #4809 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]CC(195)+C7H13R(330)<=>CCC(95)+C7H12R(199) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4810; RMG #4810 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C6H10R(90), C6H11R(98); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10R(90)+C7H13R(330)<=>C6H11R(98)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4811; RMG #4811 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C6H10L(169), C6H11L(107); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(169)+C7H13R(330)<=>C6H11L(107)+C7H12R(199) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #4812; RMG #4812 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C6H10L(103), C6H11L(107); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(103)+C7H13R(330)<=>C6H11L(107)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4813; RMG #4813 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C6H9(113), C6H10(110); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(113)+C7H13R(330)<=>C6H10(110)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4814; RMG #4814 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C6H9(160), C6H10(116); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9(160)+C7H13R(330)<=>C6H10(116)+C7H12R(199) 2.300000e-03 4.340 9.300 + +! Reaction index: Chemkin #4815; RMG #4815 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C6H9(114), C6H10(116); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H9(114)+C7H13R(330)<=>C6H10(116)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4816; RMG #4816 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C6H7(123), C6H8(118); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H7(123)+C7H13R(330)<=>C6H8(118)+C7H12R(199) 2.920000e-03 4.340 12.900 + +! Reaction index: Chemkin #4817; RMG #4817 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(199), C7H13R(330); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/CdCs2] for rate rule [2_methyl_CPD;C_rad/CdCs2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C7H12R(199)<=>C6H7(239)+C7H13R(330) 4.200000e-04 4.340 13.600 + +! Reaction index: Chemkin #4818; RMG #4818 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H13R(120); C7H12R(199), C7H12R(199); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C7H12R(199)+C7H13R(330)<=>C7H12R(199)+C7H13R(120) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #4819; RMG #4819 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H13R(120); C7H12R(108), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] +! Euclidian distance = 0 +! family: H_Abstraction +C7H12R(108)+C7H13R(330)<=>C7H12R(199)+C7H13R(120) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4820; RMG #4820 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C6H7(123), C6H8(125); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H7(123)+C7H13R(330)<=>C6H8(125)+C7H12R(199) 2.920000e-03 4.340 12.900 + +! Reaction index: Chemkin #4821; RMG #4821 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C4H7(156), C4H8(157); +! Estimated using template [C/H/Cs2Cd;C_rad/H2/Cd] for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7(156)+C7H13R(330)<=>C4H8(157)+C7H12R(199) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #4822; RMG #4822 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C5H7(174), C5H8(173); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(174)+C7H13R(330)<=>C5H8(173)+C7H12R(199) 5.560000e-03 4.340 8.900 + +! Reaction index: Chemkin #4823; RMG #4823 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C5H7(178), C5H8(180); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H7(178)+C7H13R(330)<=>C5H8(180)+C7H12R(199) 2.300000e-03 4.340 9.300 + +! Reaction index: Chemkin #4824; RMG #4824 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C5H5(189), C5H6(187); +! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 5.0 +! family: H_Abstraction +C5H5(189)+C7H13R(330)<=>C5H6(187)+C7H12R(199) 7.300000e-03 4.340 12.900 + +! Reaction index: Chemkin #4825; RMG #4825 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C5H9L2(203), CC(L)CC(C)L(35); +! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L2(203)+C7H13R(330)<=>CC(L)CC(C)L(35)+C7H12R(199) 2.860000e-04 4.340 0.200 + +! Reaction index: Chemkin #4826; RMG #4826 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C7H13R(330), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C8H16L(15)<=>C7H12R(199)+C8H17L(49) 4.260000e-04 4.340 1.600 + +! Reaction index: Chemkin #4827; RMG #4827 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C7H13R(330), C7H12R(199); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C11H15(234)<=>C7H12R(199)+C11H16(229) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4828; RMG #4828 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C7H13R(330), C7H12R(199); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C10H13(202)<=>C7H12R(199)+C10H14(179) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4829; RMG #4829 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C7H12R(199)<=>C6H6(252)+C7H13R(330) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4830; RMG #4830 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C6H8R(287), C6H9R(285); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+C7H13R(330)<=>C6H9R(285)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #4831; RMG #4831 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C6H7(239), C6H8(290); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H7(239)+C7H13R(330)<=>C6H8(290)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #4832; RMG #4832 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C6H10L(169), C6H11L(325); +! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] +! Euclidian distance = 0 +! family: H_Abstraction +C6H10L(169)+C7H13R(330)<=>C6H11L(325)+C7H12R(199) 1.190000e-04 4.340 8.300 + +! Reaction index: Chemkin #4833; RMG #4833 +! Library reaction: restart +! Flux pairs: CH3(74), C7H13R(330); C6H10R(90), C7H13R(330); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +CH3(74)+C6H10R(90)<=>C7H13R(330) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #4834; RMG #4834 +! Library reaction: restart +! Flux pairs: H(82), C7H13R(330); C7H12R(199), C7H13R(330); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R +H(82)+C7H12R(199)<=>C7H13R(330) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #4835; RMG #4835 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C7H12R(199)<=>C3H5R(12)+C7H13R(330) 1.225850e+27 -4.376 7.402 + +! Reaction index: Chemkin #4836; RMG #4836 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C7H12R(199)<=>C6H11R(17)+C7H13R(330) 1.225850e+27 -4.376 7.210 + +! Reaction index: Chemkin #4837; RMG #4837 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C7H12R(199)<=>C3H6(18)+C7H13R(330) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4838; RMG #4838 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C7H12R(199)<=>C3H6(18)+C7H13R(330) 2.451710e+27 -4.376 7.295 + +! Reaction index: Chemkin #4839; RMG #4839 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C7H12R(199)<=>C2H3L(19)+C7H13R(330) 1.225850e+27 -4.376 7.402 + +! Reaction index: Chemkin #4840; RMG #4840 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(21); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C8H16L(15)<=>C7H13R(330)+C8H15L(21) 1.225850e+27 -4.376 7.210 + +! Reaction index: Chemkin #4841; RMG #4841 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C7H12R(199)<=>C5H9L(24)+C7H13R(330) 1.225850e+27 -4.376 7.210 + +! Reaction index: Chemkin #4842; RMG #4842 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C7H12R(199)<=>C6H11R(56)+C7H13R(330) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4843; RMG #4843 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C7H12R(199)<=>C5H9L(57)+C7H13R(330) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4844; RMG #4844 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C7H12R(199)<=>C3H5R(58)+C7H13R(330) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4845; RMG #4845 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C7H12R(199)<=>C3H5L(59)+C7H13R(330) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4846; RMG #4846 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C7H12R(199)<=>C4H7R(60)+C7H13R(330) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4847; RMG #4847 +! Library reaction: restart +! Flux pairs: C8H16L(15), C8H15L(61); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(199)+C8H16L(15)<=>C7H13R(330)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4848; RMG #4848 +! Library reaction: restart +! Flux pairs: C7H14R(9), C7H13R(330); C7H12R(199), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H12R(199)+C7H14R(9)<=>C7H13R(62)+C7H13R(330) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4849; RMG #4849 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C7H12R(199)<=>C6H11L(63)+C7H13R(330) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4850; RMG #4850 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C7H12R(199)<=>C6H8(118)+C7H13R(330) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4851; RMG #4851 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C7H12R(199)<=>C6H8(125)+C7H13R(330) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4852; RMG #4852 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C7H12R(199)<=>C6H8(125)+C7H13R(330) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4853; RMG #4853 +! Library reaction: restart +! Flux pairs: C10H15(183), C10H14(184); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C10H15(183)<=>C7H13R(330)+C10H14(184) 1.225850e+27 -4.376 9.790 + +! Reaction index: Chemkin #4854; RMG #4854 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C7H12R(199)<=>C5H6(187)+C7H13R(330) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #4855; RMG #4855 +! Library reaction: restart +! Flux pairs: C8H13(191), C8H12(194); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C8H13(191)<=>C7H13R(330)+C8H12(194) 1.225850e+27 -4.376 7.402 + +! Reaction index: Chemkin #4856; RMG #4856 +! Library reaction: restart +! Flux pairs: C10H13(202), C10H12(201); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(199)+C10H13(202)<=>C7H13R(330)+C10H12(201) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4857; RMG #4857 +! Library reaction: restart +! Flux pairs: C10H14R(316), C10H13R(240); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C10H14R(316)<=>C7H13R(330)+C10H13R(240) 1.225850e+27 -4.376 7.220 + +! Reaction index: Chemkin #4858; RMG #4858 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C7H12R(199)<=>C6H6(252)+C7H13R(330) 1.225850e+27 -4.376 11.099 + +! Reaction index: Chemkin #4859; RMG #4859 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C7H12R(199)<=>C5H7L(262)+C7H13R(330) 5.258140e+13 -0.550 0.687 + +! Reaction index: Chemkin #4860; RMG #4860 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C7H12R(199)<=>C5H7L(262)+C7H13R(330) 1.225850e+27 -4.376 9.983 + +! Reaction index: Chemkin #4861; RMG #4861 +! Library reaction: restart +! Flux pairs: C11H15(256), C11H14(271); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C11H15(256)<=>C7H13R(330)+C11H14(271) 1.225850e+27 -4.376 9.790 + +! Reaction index: Chemkin #4862; RMG #4862 +! Library reaction: restart +! Flux pairs: C9H13(260), C9H12(272); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C9H13(260)<=>C7H13R(330)+C9H12(272) 1.225850e+27 -4.376 7.402 + +! Reaction index: Chemkin #4863; RMG #4863 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C7H12R(199)<=>C6H9R(285)+C7H13R(330) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4864; RMG #4864 +! Library reaction: restart +! Flux pairs: C7H12R(199), C7H13R(330); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C7H12R(199)<=>C6H8(290)+C7H13R(330) 1.225850e+27 -4.376 10.941 + +! Reaction index: Chemkin #4865; RMG #4865 +! Library reaction: restart +! Flux pairs: C12H15(283), C12H14(244); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C12H15(283)<=>C7H13R(330)+C12H14(244) 1.225850e+27 -4.376 11.018 + +! Reaction index: Chemkin #4866; RMG #4866 +! Library reaction: restart +! Flux pairs: C11H15(226), C11H14(278); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C11H15(226)<=>C7H13R(330)+C11H14(278) 1.225850e+27 -4.376 11.018 + +! Reaction index: Chemkin #4867; RMG #4867 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H12(329); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(199)+C11H13(298)<=>C7H13R(330)+C11H12(329) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #4868; RMG #4868 +! Library reaction: restart +! Flux pairs: C5H7(174), C11H14(331); C6H7(239), C11H14(331); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C5H7(174)+C6H7(239)<=>C11H14(331) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #4869; RMG #4869 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(269), C12H15(323); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C12H16(269)<=>CR(22)+C12H15(323) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4870; RMG #4870 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(323), C12H16(269); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C12H15(323)<=>CH3(74)+C12H16(269) 4.240000e-02 4.340 24.900 + +! Reaction index: Chemkin #4871; RMG #4871 +! Library reaction: restart +! Flux pairs: C11H13(298), C11H14(276); C10H14R(316), C10H13R(240); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H14R(316)+C11H13(298)<=>C10H13R(240)+C11H14(276) 1.225850e+27 -4.376 7.503 + +! Reaction index: Chemkin #4872; RMG #4872 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5L(59), C9H14L(332); C6H9(160), C9H14L(332); +! From training reaction 260 used for Cds-HH_Cds-CsCs;CsJ-CdCsH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdCsH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C3H5L(59)+C6H9(160)<=>C9H14L(332) 9.720000e+03 2.410 10.980 + +! Reaction index: Chemkin #4873; RMG #4873 +! Library reaction: restart +! Flux pairs: C10H12R(324), C10H12R(333); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing +C10H12R(324)<=>C10H12R(333) 1.260000e+11 0.160 11.046 + +! Reaction index: Chemkin #4874; RMG #4874 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H15R(334); C6H8R(287), C12H15R(334); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C6H7(239)+C6H8R(287)<=>C12H15R(334) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #4875; RMG #4875 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H16(335); C6H9(113), C12H16(335); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H9(113)<=>C12H16(335) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #4876; RMG #4876 +! Library reaction: restart +! Flux pairs: C6H7(239), C12H15R(336); C6H8R(287), C12H15R(336); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R +C6H7(239)+C6H8R(287)<=>C12H15R(336) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #4877; RMG #4877 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C6H7(239), C12H15(337); C6H8(125), C12H15(337); +! Estimated using template [Cds-CsH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-CsH_Cds-CdCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C6H7(239)+C6H8(125)<=>C12H15(337) 1.360000e+04 2.410 9.870 + +! Reaction index: Chemkin #4878; RMG #4878 +! Library reaction: restart +! Flux pairs: C3H5(102), C9H13R(338); C6H8R(287), C9H13R(338); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +! Multiplied by reaction path degeneracy 2.0 +C3H5(102)+C6H8R(287)<=>C9H13R(338) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #4879; RMG #4879 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(276), C11H13(298); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C11H14(276)<=>CCCR(27)+C11H13(298) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #4880; RMG #4924 +! Library reaction: restart_edge +! Flux pairs: [CH2]C(C)C(399), RC10(2); C[CH]CC(C)CR(5), RC10(2); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +[CH2]C(C)C(399)+C[CH]CC(C)CR(5)<=>RC10(2) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #4881; RMG #5938 +! Library reaction: restart_edge +! Flux pairs: C[CH]CR(10), CC(C)CC(C)CR(23); [CH2]C(C)C(399), CC(C)CC(C)CR(23); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]CR(10)+[CH2]C(C)C(399)<=>CC(C)CC(C)CR(23) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #4882; RMG #6092 +! Library reaction: restart_edge +! Flux pairs: C[CH]L(8), CC(C)CC(C)L(25); [CH2]C(C)C(399), CC(C)CC(C)L(25); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]L(8)+[CH2]C(C)C(399)<=>CC(C)CC(C)L(25) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #4883; RMG #16811 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CH3(74), [CH2]C(C)C(399); C3H6(18), [CH2]C(C)C(399); +! Matched reaction 2929 CH3 + propene_2 <=> C4H9-4 in R_Addition_MultipleBond/training +! This reaction matched rate rule [Cds-CsH_Cds-HH;CsJ-HHH] +! family: R_Addition_MultipleBond +CH3(74)+C3H6(18)<=>[CH2]C(C)C(399) 1.580000e+02 2.966 6.337 + +! Reaction index: Chemkin #4884; RMG #20884 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H6(18), C7H15(85); [CH2]C(C)C(399), C7H15(85); +! Matched reaction 2938 C4H9-9 + propene_2 <=> C7H15-16 in R_Addition_MultipleBond/training +! This reaction matched rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] +! family: R_Addition_MultipleBond +C3H6(18)+[CH2]C(C)C(399)<=>C7H15(85) 1.502000e+00 3.105 5.819 + +! Reaction index: Chemkin #4885; RMG #21888 +! Library reaction: restart_edge +! Flux pairs: C[CH]C(94), CC(C)CC(C)C(87); [CH2]C(C)C(399), CC(C)CC(C)C(87); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-5R!H-R +C[CH]C(94)+[CH2]C(C)C(399)<=>CC(C)CC(C)C(87) 2.124550e+14 -0.429 0.000 + +! Reaction index: Chemkin #4886; RMG #68907 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(65), RC10L(1); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C9H17LR(65)<=>C4H8(157)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4887; RMG #68909 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(69), RC10L(1); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C9H17LR(69)<=>C4H8(157)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4888; RMG #68911 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(66), RC10L(1); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C9H17LR(66)<=>C4H8(157)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4889; RMG #68913 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(68), RC10L(1); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C9H17LR(68)<=>C4H8(157)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4890; RMG #68915 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(72), RC10L(1); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C9H17LR(72)<=>C4H8(157)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4891; RMG #68917 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(73), RC10L(1); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+C9H17LR(73)<=>C4H8(157)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #4892; RMG #68919 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(71), RC10L(1); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+C9H17LR(71)<=>C4H8(157)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #4893; RMG #68921 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(67), RC10L(1); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C9H17LR(67)<=>C4H8(157)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4894; RMG #68923 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(70), RC10L(1); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+C9H17LR(70)<=>C4H8(157)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #4895; RMG #68941 +! Library reaction: restart_edge +! Flux pairs: C10H20R(64), RC10(2); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C10H20R(64)<=>C4H8(157)+RC10(2) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4896; RMG #68959 +! Library reaction: restart_edge +! Flux pairs: C10H20L(76), LC10(3); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C10H20L(76)<=>C4H8(157)+LC10(3) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4897; RMG #68973 +! Library reaction: restart_edge +! Flux pairs: [CH2]C(C)C(399), C4H8(157); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C3H4R(78)+[CH2]C(C)C(399)<=>C3H5R(12)+C4H8(157) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4898; RMG #68984 +! Library reaction: restart_edge +! Flux pairs: [CH2]C(C)C(399), C4H8(157); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+[CH2]C(C)C(399)<=>CC(C)L(13)+C4H8(157) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #4899; RMG #68993 +! Library reaction: restart_edge +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C[CH]CC(C)L(7)<=>C4H8(157)+CCCC(C)L(16) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4900; RMG #69001 +! Library reaction: restart_edge +! Flux pairs: C6H10R(171), C6H11R(17); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C6H10R(171)<=>C4H8(157)+C6H11R(17) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4901; RMG #69014 +! Template reaction: Disproportionation +! Flux pairs: [CH2]C(C)C(399), C4H8(157); C3H5(102), C3H6(18); +! Matched reaction 40 C3H5 + C4H9-2 <=> C3H6 + C4H8-2 in Disproportionation/training +! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R] +! family: Disproportionation +C3H5(102)+[CH2]C(C)C(399)<=>C3H6(18)+C4H8(157) 1.566000e+12 0.000 -0.130 + +! Reaction index: Chemkin #4902; RMG #69033 +! Library reaction: restart_edge +! Flux pairs: [CH2]C(C)C(399), CC(C)CR(20); [CH2]C(C)CR(6), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+[CH2]C(C)C(399)<=>C4H8(157)+CC(C)CR(20) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #4903; RMG #69054 +! Library reaction: restart_edge +! Flux pairs: [CH2]C(C)C(399), C4H8(157); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]R(14)+[CH2]C(C)C(399)<=>CR(22)+C4H8(157) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #4904; RMG #69066 +! Library reaction: restart_edge +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+C7H14R(9)<=>C4H8(157)+CC(C)CC(C)CR(23) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #4905; RMG #69070 +! Library reaction: restart_edge +! Flux pairs: C5H8L(89), C5H9L(24); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C5H8L(89)<=>C4H8(157)+C5H9L(24) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4906; RMG #69087 +! Library reaction: restart_edge +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+C6H12L(11)<=>C4H8(157)+CC(C)CC(C)L(25) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #4907; RMG #69093 +! Library reaction: restart_edge +! Flux pairs: [CH2]C(C)C(399), C4H8(157); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]L(8)+[CH2]C(C)C(399)<=>CCL(26)+C4H8(157) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4908; RMG #69095 +! Library reaction: restart_edge +! Flux pairs: [CH2]C(C)C(399), C4H8(157); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]CR(10)+[CH2]C(C)C(399)<=>CCCR(27)+C4H8(157) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4909; RMG #69165 +! Library reaction: restart_edge +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C[CH]CC(C)CR(5)<=>C4H8(157)+CCCC(C)CR(32) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4910; RMG #69195 +! Library reaction: restart_edge +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C5H9L2(203)<=>C4H8(157)+CC(L)CC(C)L(35) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4911; RMG #69361 +! Library reaction: restart_edge +! Flux pairs: C8H16L(15), C8H17L(49); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C8H16L(15)<=>C4H8(157)+C8H17L(49) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4912; RMG #69393 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H11R(56); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C6H10R(90)<=>C4H8(157)+C6H11R(56) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4913; RMG #69399 +! Library reaction: restart_edge +! Flux pairs: C6H10R(171), C6H11R(56); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+C6H10R(171)<=>C4H8(157)+C6H11R(56) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #4914; RMG #69408 +! Library reaction: restart_edge +! Flux pairs: C5H8L(77), C5H9L(57); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C5H8L(77)<=>C4H8(157)+C5H9L(57) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4915; RMG #69412 +! Library reaction: restart_edge +! Flux pairs: C5H8L(89), C5H9L(57); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+C5H8L(89)<=>C4H8(157)+C5H9L(57) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #4916; RMG #69421 +! Library reaction: restart_edge +! Flux pairs: [CH2]C(C)C(399), C4H8(157); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C3H4R(78)+[CH2]C(C)C(399)<=>C3H5R(58)+C4H8(157) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #4917; RMG #69430 +! Library reaction: restart_edge +! Flux pairs: [CH2]C(C)C(399), C4H8(157); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C3H4L(147)+[CH2]C(C)C(399)<=>C3H5L(59)+C4H8(157) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #4918; RMG #69437 +! Library reaction: restart_edge +! Flux pairs: [CH2]C(C)C(399), C4H8(157); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C4H6R(224)+[CH2]C(C)C(399)<=>C4H7R(60)+C4H8(157) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #4919; RMG #69439 +! Library reaction: restart_edge +! Flux pairs: [CH2]C(C)C(399), C4H8(157); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C4H6R(79)+[CH2]C(C)C(399)<=>C4H7R(60)+C4H8(157) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4920; RMG #69446 +! Library reaction: restart_edge +! Flux pairs: C8H14L(112), C8H15L(61); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C8H14L(112)<=>C4H8(157)+C8H15L(61) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4921; RMG #69467 +! Library reaction: restart_edge +! Flux pairs: C7H12R(108), C7H13R(62); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C7H12R(108)<=>C4H8(157)+C7H13R(62) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4922; RMG #69482 +! Library reaction: restart_edge +! Flux pairs: C6H10L(103), C6H11L(63); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C6H10L(103)<=>C4H8(157)+C6H11L(63) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4923; RMG #69493 +! Template reaction: Disproportionation +! Flux pairs: [CH2]C(C)C(399), C4H8(157); CH3(74), C(75); +! Matched reaction 37 CH3_r1 + C4H9-2 <=> CH4 + C4H8-2 in Disproportionation/training +! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C] +! family: Disproportionation +CH3(74)+[CH2]C(C)C(399)<=>C(75)+C4H8(157) 6.020000e+12 -0.320 0.000 + +! Reaction index: Chemkin #4924; RMG #69513 +! Library reaction: restart_edge +! Flux pairs: [CH2]C(C)C(399), C4H8(157); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C4H6R(79)+[CH2]C(C)C(399)<=>C4H7R(81)+C4H8(157) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #4925; RMG #69521 +! Template reaction: Disproportionation +! Flux pairs: [CH2]C(C)C(399), C4H8(157); H(82), [H][H](83); +! Matched reaction 36 H + C4H9-2 <=> H2 + C4H8-2 in Disproportionation/training +! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C] +! family: Disproportionation +H(82)+[CH2]C(C)C(399)<=>[H][H](83)+C4H8(157) 9.040000e+11 0.000 0.000 +DUPLICATE + +! Reaction index: Chemkin #4926; RMG #69523 +! Template reaction: Disproportionation +! Flux pairs: [CH2]C(C)C(399), C4H8(157); H(82), [H][H](83); +! Matched reaction 36 H + C4H9-2 <=> H2 + C4H8-2 in Disproportionation/training +! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H] +! family: Disproportionation +H(82)+[CH2]C(C)C(399)<=>[H][H](83)+C4H8(157) 9.040000e+11 0.000 0.000 +DUPLICATE + +! Reaction index: Chemkin #4927; RMG #69524 +! Library reaction: restart_edge +! Flux pairs: C5H8L(77), C5H9L(84); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C5H8L(77)<=>C4H8(157)+C5H9L(84) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4928; RMG #69536 +! Library reaction: restart_edge +! Flux pairs: [CH2]C(C)C(399), C4H8(157); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C3H4L(219)+[CH2]C(C)C(399)<=>C3H5L(86)+C4H8(157) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #4929; RMG #69550 +! Library reaction: restart_edge +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+C7H15(85)<=>C4H8(157)+CC(C)CC(C)C(87) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #4930; RMG #69580 +! Template reaction: Disproportionation +! Flux pairs: [CH2]C(C)C(399), C4H8(157); C[CH]C(94), CCC(95); +! Matched reaction 41 C4H9-2 + C3H7 <=> C3H8 + C4H8-2 in Disproportionation/training +! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R] +! family: Disproportionation +C[CH]C(94)+[CH2]C(C)C(399)<=>CCC(95)+C4H8(157) 2.560000e+13 -0.350 0.000 + +! Reaction index: Chemkin #4931; RMG #69582 +! Library reaction: restart_edge +! Flux pairs: [CH2]C(C)C(399), C4H8(157); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]CC(195)+[CH2]C(C)C(399)<=>CCC(95)+C4H8(157) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #4932; RMG #69584 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H11R(98); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C6H10R(90)<=>C4H8(157)+C6H11R(98) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4933; RMG #69640 +! Library reaction: restart_edge +! Flux pairs: C6H10L(169), C6H11L(107); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C6H10L(169)<=>C4H8(157)+C6H11L(107) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4934; RMG #69644 +! Library reaction: restart_edge +! Flux pairs: C6H10L(103), C6H11L(107); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+C6H10L(103)<=>C4H8(157)+C6H11L(107) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #4935; RMG #69660 +! Library reaction: restart_edge +! Flux pairs: C6H9(113), C6H10(110); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+C6H9(113)<=>C4H8(157)+C6H10(110) 7.830000e+11 0.000 0.181 + +! Reaction index: Chemkin #4936; RMG #69744 +! Library reaction: restart_edge +! Flux pairs: C6H9(160), C6H10(116); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C6H9(160)<=>C4H8(157)+C6H10(116) 1.051630e+14 -0.550 0.000 + +! Reaction index: Chemkin #4937; RMG #69746 +! Library reaction: restart_edge +! Flux pairs: C6H9(114), C6H10(116); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C6H9(114)<=>C4H8(157)+C6H10(116) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4938; RMG #69770 +! Library reaction: restart_edge +! Flux pairs: C6H7(123), C6H8(118); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C6H7(123)<=>C4H8(157)+C6H8(118) 1.051630e+14 -0.550 0.000 + +! Reaction index: Chemkin #4939; RMG #69772 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C6H8(118); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+C6H7(239)<=>C4H8(157)+C6H8(118) 7.830000e+11 0.000 0.165 + +! Reaction index: Chemkin #4940; RMG #69787 +! Library reaction: restart_edge +! Flux pairs: C7H12R(199), C7H13R(120); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C7H12R(199)<=>C4H8(157)+C7H13R(120) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4941; RMG #69793 +! Library reaction: restart_edge +! Flux pairs: C7H12R(108), C7H13R(120); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+C7H12R(108)<=>C4H8(157)+C7H13R(120) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #4942; RMG #69801 +! Library reaction: restart_edge +! Flux pairs: C6H7(123), C6H8(125); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C6H7(123)<=>C4H8(157)+C6H8(125) 1.051630e+14 -0.550 0.000 + +! Reaction index: Chemkin #4943; RMG #69837 +! Library reaction: restart_edge +! Flux pairs: [CH2]C(C)C(399), C4H8(157); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C4H7(156)+[CH2]C(C)C(399)<=>C4H8(157)+C4H8(157) 1.566000e+12 0.000 0.000 + +! Reaction index: Chemkin #4944; RMG #71706 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), [CH2]C(C)C(399); C4H8(157), [CH2]C(C)C(399); +! Matched reaction 2928 H + C4H8-2 <=> C4H9-7 in R_Addition_MultipleBond/training +! This reaction matched rate rule [Cds-CsCs_Cds-HH;HJ] +! family: R_Addition_MultipleBond +H(82)+C4H8(157)<=>[CH2]C(C)C(399) 2.383000e+08 1.538 2.871 + +! Reaction index: Chemkin #4945; RMG #81204 +! Library reaction: restart_edge +! Flux pairs: C5H7(174), C5H8(173); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C5H7(174)<=>C4H8(157)+C5H8(173) 1.566000e+12 0.000 0.165 + +! Reaction index: Chemkin #4946; RMG #87531 +! Library reaction: restart_edge +! Flux pairs: C10H13(202), C10H14(179); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C10H13(202)<=>C4H8(157)+C10H14(179) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4947; RMG #88860 +! Library reaction: restart_edge +! Flux pairs: C5H7(178), C5H8(180); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C5H7(178)<=>C4H8(157)+C5H8(180) 1.051630e+14 -0.550 0.000 + +! Reaction index: Chemkin #4948; RMG #93538 +! Library reaction: restart_edge +! Flux pairs: C5H5(189), C5H6(187); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 5.0 +[CH2]C(C)C(399)+C5H5(189)<=>C4H8(157)+C5H6(187) 2.629070e+14 -0.550 0.000 + +! Reaction index: Chemkin #4949; RMG #137697 +! Library reaction: restart_edge +! Flux pairs: C11H15(234), C11H16(229); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C11H15(234)<=>C4H8(157)+C11H16(229) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4950; RMG #206259 +! Library reaction: restart_edge +! Flux pairs: C12H15(323), C12H16(269); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C12H15(323)<=>C4H8(157)+C12H16(269) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4951; RMG #233859 +! Library reaction: restart_edge +! Flux pairs: C11H13(298), C11H14(276); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C11H13(298)<=>C4H8(157)+C11H14(276) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4952; RMG #268049 +! Library reaction: restart_edge +! Flux pairs: C6H8R(287), C6H9R(285); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+C6H8R(287)<=>C4H8(157)+C6H9R(285) 7.830000e+11 0.000 0.165 + +! Reaction index: Chemkin #4953; RMG #278568 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C6H8(290); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C6H7(239)<=>C4H8(157)+C6H8(290) 5.258140e+13 -0.550 0.340 + +! Reaction index: Chemkin #4954; RMG #347854 +! Library reaction: restart_edge +! Flux pairs: C6H10L(169), C6H11L(325); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C6H10L(169)<=>C4H8(157)+C6H11L(325) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4955; RMG #369908 +! Library reaction: restart_edge +! Flux pairs: C7H12R(199), C7H13R(330); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C7H12R(199)<=>C4H8(157)+C7H13R(330) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #4956; RMG #407513 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(65); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(65) 2.434158e-04 4.470 6.593 + +! Reaction index: Chemkin #4957; RMG #407514 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(69); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(69) 2.434158e-04 4.470 6.593 + +! Reaction index: Chemkin #4958; RMG #407515 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(66); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(66) 2.163867e-03 4.290 7.536 + +! Reaction index: Chemkin #4959; RMG #407516 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(68); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(68) 2.163867e-03 4.290 7.536 + +! Reaction index: Chemkin #4960; RMG #407517 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(72); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(72) 2.434158e-04 4.470 6.593 + +! Reaction index: Chemkin #4961; RMG #407518 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(73); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(73) 1.630301e-04 4.810 8.490 + +! Reaction index: Chemkin #4962; RMG #407519 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(71); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(71) 1.630301e-04 4.810 8.490 + +! Reaction index: Chemkin #4963; RMG #407520 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(67); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(67) 2.163867e-03 4.290 7.536 + +! Reaction index: Chemkin #4964; RMG #407521 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(70); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(70) 1.630301e-04 4.810 8.490 + +! Reaction index: Chemkin #4965; RMG #407530 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10(2), C10H20R(64); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+RC10(2)<=>CC(C)C(29484)+C10H20R(64) 2.163867e-03 4.290 7.536 + +! Reaction index: Chemkin #4966; RMG #407539 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); LC10(3), C10H20L(76); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+LC10(3)<=>CC(C)C(29484)+C10H20L(76) 2.163867e-03 4.290 7.536 + +! Reaction index: Chemkin #4967; RMG #407540 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+[CH2]C(C)C(399)<=>C3H4R(78)+CC(C)C(29484) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4968; RMG #407546 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CC(C)L(13), [CH2]C(C)L(4); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CC(C)L(13)+[CH2]C(C)C(399)<=>[CH2]C(C)L(4)+CC(C)C(29484) 3.260601e-04 4.810 8.490 + +! Reaction index: Chemkin #4969; RMG #407548 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H11R(17), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H11R(17)<=>CC(C)C(29484)+C6H10R(171) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4970; RMG #407555 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C3H6(18), C3H5(102); +! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+[CH2]C(C)C(399)<=>C3H5(102)+CC(C)C(29484) 2.961351e-04 4.545 4.565 + +! Reaction index: Chemkin #4971; RMG #407573 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CR(22), [CH2]R(14); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\H2\Cs;C_rad/H2/Cs] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +CR(22)+[CH2]C(C)C(399)<=>[CH2]R(14)+CC(C)C(29484) 1.630301e-04 4.810 8.490 + +! Reaction index: Chemkin #4972; RMG #407575 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C5H9L(24)<=>CC(C)C(29484)+C5H8L(89) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4973; RMG #407582 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CCL(26), C[CH]L(8); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCL(26)+[CH2]C(C)C(399)<=>C[CH]L(8)+CC(C)C(29484) 2.163867e-03 4.290 7.536 + +! Reaction index: Chemkin #4974; RMG #407583 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CCCR(27), C[CH]CR(10); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCCR(27)+[CH2]C(C)C(399)<=>C[CH]CR(10)+CC(C)C(29484) 2.163867e-03 4.290 7.536 + +! Reaction index: Chemkin #4975; RMG #407586 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H11R(56), C6H10R(90); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H11R(56)<=>CC(C)C(29484)+C6H10R(90) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4976; RMG #407589 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H11R(56), C6H10R(171); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H11R(56)<=>CC(C)C(29484)+C6H10R(171) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #4977; RMG #407594 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C5H9L(57), C5H8L(77); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)C(399)+C5H9L(57)<=>CC(C)C(29484)+C5H8L(77) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4978; RMG #407596 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C5H9L(57), C5H8L(89); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C5H9L(57)<=>CC(C)C(29484)+C5H8L(89) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #4979; RMG #407601 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C3H5R(58), C3H4R(78); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5R(58)+[CH2]C(C)C(399)<=>C3H4R(78)+CC(C)C(29484) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #4980; RMG #407606 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C3H5L(59), C3H4L(147); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(59)+[CH2]C(C)C(399)<=>C3H4L(147)+CC(C)C(29484) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #4981; RMG #407610 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C4H7R(60), C4H6R(224); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7R(60)+[CH2]C(C)C(399)<=>C4H6R(224)+CC(C)C(29484) 2.517000e-05 4.890 4.320 + +! Reaction index: Chemkin #4982; RMG #407611 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+[CH2]C(C)C(399)<=>C4H6R(79)+CC(C)C(29484) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4983; RMG #407615 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C8H15L(61), C8H14L(112); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)C(399)+C8H15L(61)<=>CC(C)C(29484)+C8H14L(112) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4984; RMG #407626 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C7H13R(62), C7H12R(108); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C7H13R(62)<=>CC(C)C(29484)+C7H12R(108) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4985; RMG #407634 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H11L(63)<=>CC(C)C(29484)+C6H10L(103) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4986; RMG #407640 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)C(29484), [CH2]C(C)C(399); CH3(74), C(75); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 9.0 +! family: H_Abstraction +CH3(74)+CC(C)C(29484)<=>C(75)+[CH2]C(C)C(399) 4.257000e+00 3.600 11.050 + +! Reaction index: Chemkin #4987; RMG #407641 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)C(29484), [CH2]C(C)C(399); H(82), [H][H](83); +! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 9.0 +! family: H_Abstraction +H(82)+CC(C)C(29484)<=>[H][H](83)+[CH2]C(C)C(399) 1.701000e+07 2.210 7.500 + +! Reaction index: Chemkin #4988; RMG #407652 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CC(C)CR(20), [CH2]C(C)CR(6); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CC(C)CR(20)+[CH2]C(C)C(399)<=>[CH2]C(C)CR(6)+CC(C)C(29484) 3.260601e-04 4.810 8.490 + +! Reaction index: Chemkin #4989; RMG #407658 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CC(C)CC(C)CR(23), C7H14R(9); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]C(C)C(399)+CC(C)CC(C)CR(23)<=>CC(C)C(29484)+C7H14R(9) 3.260601e-04 4.810 8.490 + +! Reaction index: Chemkin #4990; RMG #407662 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CC(C)CC(C)L(25), C6H12L(11); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]C(C)C(399)+CC(C)CC(C)L(25)<=>CC(C)C(29484)+C6H12L(11) 3.260601e-04 4.810 8.490 + +! Reaction index: Chemkin #4991; RMG #407664 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C4H7R(81), C4H6R(79); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7R(81)+[CH2]C(C)C(399)<=>C4H6R(79)+CC(C)C(29484) 2.688723e-04 4.649 4.527 + +! Reaction index: Chemkin #4992; RMG #407668 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C5H9L(84)<=>CC(C)C(29484)+C5H8L(77) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4993; RMG #407674 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CCC(95), C[CH]C(94); +! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+[CH2]C(C)C(399)<=>C[CH]C(94)+CC(C)C(29484) 1.840000e-03 4.340 7.000 + +! Reaction index: Chemkin #4994; RMG #407675 +! Template reaction: H_Abstraction +! Flux pairs: CC(C)C(29484), [CH2]C(C)C(399); [CH2]CC(195), CCC(95); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 9.0 +! family: H_Abstraction +[CH2]CC(195)+CC(C)C(29484)<=>CCC(95)+[CH2]C(C)C(399) 4.890902e-04 4.810 8.490 + +! Reaction index: Chemkin #4995; RMG #407676 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H11R(98), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H11R(98)<=>CC(C)C(29484)+C6H10R(90) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #4996; RMG #407691 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H11L(107), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H11L(107)<=>CC(C)C(29484)+C6H10L(169) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #4997; RMG #407693 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H11L(107), C6H10L(103); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H11L(107)<=>CC(C)C(29484)+C6H10L(103) 2.688723e-04 4.649 4.527 + +! Reaction index: Chemkin #4998; RMG #407698 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H10(110)<=>CC(C)C(29484)+C6H9(113) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #4999; RMG #407707 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H10(116)<=>CC(C)C(29484)+C6H9(160) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #5000; RMG #407708 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H10(116)<=>CC(C)C(29484)+C6H9(114) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #5001; RMG #407713 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C7H13R(120), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)C(399)+C7H13R(120)<=>CC(C)C(29484)+C7H12R(199) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #5002; RMG #407716 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C7H13R(120), C7H12R(108); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C7H13R(120)<=>CC(C)C(29484)+C7H12R(108) 2.688723e-04 4.649 4.527 + +! Reaction index: Chemkin #5003; RMG #407720 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C5H8(173)<=>CC(C)C(29484)+C5H7(174) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #5004; RMG #407731 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CCCC(C)L(16), C[CH]CC(C)L(7); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+CCCC(C)L(16)<=>CC(C)C(29484)+C[CH]CC(C)L(7) 2.163867e-03 4.290 7.536 + +! Reaction index: Chemkin #5005; RMG #407736 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CCCC(C)CR(32), C[CH]CC(C)CR(5); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+CCCC(C)CR(32)<=>CC(C)C(29484)+C[CH]CC(C)CR(5) 2.163867e-03 4.290 7.536 + +! Reaction index: Chemkin #5006; RMG #407741 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CC(L)CC(C)L(35), C5H9L2(203); +! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+CC(L)CC(C)L(35)<=>CC(C)C(29484)+C5H9L2(203) 4.868317e-04 4.470 6.593 + +! Reaction index: Chemkin #5007; RMG #407747 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C8H17L(49), C8H16L(15); +! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C8H17L(49)<=>CC(C)C(29484)+C8H16L(15) 2.163867e-03 4.290 7.536 + +! Reaction index: Chemkin #5008; RMG #407751 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C3H5L(86), C3H4L(219); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H5L(86)+[CH2]C(C)C(399)<=>C3H4L(219)+CC(C)C(29484) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #5009; RMG #407758 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CC(C)CC(C)C(87), C7H15(85); +! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 12.0 +! family: H_Abstraction +[CH2]C(C)C(399)+CC(C)CC(C)C(87)<=>CC(C)C(29484)+C7H15(85) 6.521202e-04 4.810 8.490 + +! Reaction index: Chemkin #5010; RMG #407759 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H8(118), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H8(118)<=>CC(C)C(29484)+C6H7(123) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #5011; RMG #407760 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H8(118)<=>CC(C)C(29484)+C6H7(239) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #5012; RMG #407768 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H8(125), C6H7(123); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H8(125)<=>CC(C)C(29484)+C6H7(123) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #5013; RMG #407777 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C4H8(157), C4H7(156); +! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H8(157)+[CH2]C(C)C(399)<=>C4H7(156)+CC(C)C(29484) 5.034000e-05 4.890 4.320 + +! Reaction index: Chemkin #5014; RMG #407782 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C5H8(180)<=>CC(C)C(29484)+C5H7(178) 3.612000e-03 4.340 3.500 + +! Reaction index: Chemkin #5015; RMG #407801 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H11L(325), C6H10L(169); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H11L(325)<=>CC(C)C(29484)+C6H10L(169) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #5016; RMG #407807 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C7H13R(330), C7H12R(199); +! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +[CH2]C(C)C(399)+C7H13R(330)<=>CC(C)C(29484)+C7H12R(199) 5.520000e-04 4.340 2.200 + +! Reaction index: Chemkin #5017; RMG #407814 +! Template reaction: R_Recombination +! Flux pairs: C[CH]C(94), CC(C)C(29484); CH3(74), CC(C)C(29484); +! Matched reaction 67 CH3 + C3H7-2 <=> C4H10-2 in R_Recombination/training +! This reaction matched rate rule [Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O] +! family: R_Recombination +CH3(74)+C[CH]C(94)<=>CC(C)C(29484) 6.640000e+14 -0.570 0.000 + +! Reaction index: Chemkin #5018; RMG #407816 +! Template reaction: R_Recombination +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); H(82), CC(C)C(29484); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- +! Sp-4R!H=3C_Sp-4R!H-3C +H(82)+[CH2]C(C)C(399)<=>CC(C)C(29484) 9.174990e+13 0.115 0.000 + +! Reaction index: Chemkin #5019; RMG #407828 +! Template reaction: Disproportionation +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+[CH2]C(C)C(399)<=>C3H5R(12)+CC(C)C(29484) 1.225854e+27 -4.376 3.708 + +! Reaction index: Chemkin #5020; RMG #407834 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C[CH]CC(C)CR(5)<=>CC(C)C(29484)+C6H11R(17) 1.225854e+27 -4.376 3.584 + +! Reaction index: Chemkin #5021; RMG #407836 +! Template reaction: Disproportionation +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C_Ext-6C-R +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+[CH2]C(C)C(399)<=>C3H6(18)+CC(C)C(29484) 2.900000e+12 0.000 0.000 +DUPLICATE + +! Reaction index: Chemkin #5022; RMG #407837 +! Template reaction: Disproportionation +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C +[CH2]CC(195)+[CH2]C(C)C(399)<=>C3H6(18)+CC(C)C(29484) 1.970850e+12 -0.039 0.000 +DUPLICATE + +! Reaction index: Chemkin #5023; RMG #407839 +! Template reaction: Disproportionation +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+[CH2]C(C)C(399)<=>C3H6(18)+CC(C)C(29484) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #5024; RMG #407841 +! Template reaction: Disproportionation +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+[CH2]C(C)C(399)<=>C2H3L(19)+CC(C)C(29484) 1.225854e+27 -4.376 3.708 + +! Reaction index: Chemkin #5025; RMG #407847 +! Template reaction: Disproportionation +! Flux pairs: C8H16L(15), C8H15L(21); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C8H16L(15)<=>CC(C)C(29484)+C8H15L(21) 1.225854e+27 -4.376 3.584 + +! Reaction index: Chemkin #5026; RMG #407851 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C[CH]CC(C)L(7)<=>CC(C)C(29484)+C5H9L(24) 1.225854e+27 -4.376 3.584 + +! Reaction index: Chemkin #5027; RMG #408103 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C[CH]CC(C)CR(5)<=>CC(C)C(29484)+C6H11R(56) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5028; RMG #408107 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C[CH]CC(C)L(7)<=>CC(C)C(29484)+C5H9L(57) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5029; RMG #408113 +! Template reaction: Disproportionation +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+[CH2]C(C)C(399)<=>C3H5R(58)+CC(C)C(29484) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5030; RMG #408115 +! Template reaction: Disproportionation +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+[CH2]C(C)C(399)<=>C3H5L(59)+CC(C)C(29484) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #5031; RMG #408119 +! Template reaction: Disproportionation +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+[CH2]C(C)C(399)<=>C4H7R(60)+CC(C)C(29484) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #5032; RMG #408123 +! Template reaction: Disproportionation +! Flux pairs: C8H16L(15), C8H15L(61); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C8H16L(15)<=>CC(C)C(29484)+C8H15L(61) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5033; RMG #408127 +! Template reaction: Disproportionation +! Flux pairs: C7H14R(9), C7H13R(62); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+C7H14R(9)<=>CC(C)C(29484)+C7H13R(62) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #5034; RMG #408131 +! Template reaction: Disproportionation +! Flux pairs: C6H12L(11), C6H11L(63); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+C6H12L(11)<=>CC(C)C(29484)+C6H11L(63) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #5035; RMG #408485 +! Template reaction: Disproportionation +! Flux pairs: C6H9(114), C6H8(118); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C6H9(114)<=>CC(C)C(29484)+C6H8(118) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #5036; RMG #408503 +! Template reaction: Disproportionation +! Flux pairs: C6H9(114), C6H8(125); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C6H9(114)<=>CC(C)C(29484)+C6H8(125) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #5037; RMG #408505 +! Template reaction: Disproportionation +! Flux pairs: C6H9(160), C6H8(125); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 4.0 +[CH2]C(C)C(399)+C6H9(160)<=>CC(C)C(29484)+C6H8(125) 2.700000e+03 2.700 0.000 + +! Reaction index: Chemkin #5038; RMG #408595 +! Template reaction: Disproportionation +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+[CH2]C(C)C(399)<=>C4H8(157)+CC(C)C(29484) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #5039; RMG #408684 +! Template reaction: Disproportionation +! Flux pairs: C10H15(183), C10H14(184); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C10H15(183)<=>CC(C)C(29484)+C10H14(184) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5040; RMG #408694 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C5H6(187), C5H5(189); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C5H6(187)<=>CC(C)C(29484)+C5H5(189) 2.440000e-03 4.340 1.000 + +! Reaction index: Chemkin #5041; RMG #408700 +! Template reaction: Disproportionation +! Flux pairs: C5H7(178), C5H6(187); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 4.0 +[CH2]C(C)C(399)+C5H7(178)<=>CC(C)C(29484)+C5H6(187) 2.700000e+03 2.700 0.000 + +! Reaction index: Chemkin #5042; RMG #408725 +! Template reaction: Disproportionation +! Flux pairs: C8H13(191), C8H12(194); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C8H13(191)<=>CC(C)C(29484)+C8H12(194) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5043; RMG #408919 +! Template reaction: Disproportionation +! Flux pairs: C10H13(202), C10H12(201); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C10H13(202)<=>CC(C)C(29484)+C10H12(201) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #5044; RMG #409197 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H8(290)<=>CC(C)C(29484)+C6H7(239) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #5045; RMG #409207 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(240); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C10H14R(316)<=>CC(C)C(29484)+C10H13R(240) 1.225854e+27 -4.376 3.590 + +! Reaction index: Chemkin #5046; RMG #409229 +! Template reaction: Disproportionation +! Flux pairs: C12H15(283), C12H14(244); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C12H15(283)<=>CC(C)C(29484)+C12H14(244) 1.225854e+27 -4.376 6.154 + +! Reaction index: Chemkin #5047; RMG #409275 +! Template reaction: Disproportionation +! Flux pairs: C6H7(239), C6H6(252); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C6H7(239)<=>CC(C)C(29484)+C6H6(252) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #5048; RMG #409279 +! Template reaction: Disproportionation +! Flux pairs: C6H7(123), C6H6(252); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C6H7(123)<=>CC(C)C(29484)+C6H6(252) 1.225854e+27 -4.376 6.210 + +! Reaction index: Chemkin #5049; RMG #409345 +! Template reaction: Disproportionation +! Flux pairs: C5H8L(89), C5H7L(262); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+C5H8L(89)<=>CC(C)C(29484)+C5H7L(262) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #5050; RMG #409351 +! Template reaction: Disproportionation +! Flux pairs: C5H8L(77), C5H7L(262); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C5H8L(77)<=>CC(C)C(29484)+C5H7L(262) 1.225854e+27 -4.376 5.437 + +! Reaction index: Chemkin #5051; RMG #409662 +! Template reaction: Disproportionation +! Flux pairs: C11H15(256), C11H14(271); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C11H15(256)<=>CC(C)C(29484)+C11H14(271) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5052; RMG #409675 +! Template reaction: Disproportionation +! Flux pairs: C9H13(260), C9H12(272); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C9H13(260)<=>CC(C)C(29484)+C9H12(272) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5053; RMG #409743 +! Template reaction: Disproportionation +! Flux pairs: C11H15(226), C11H14(278); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C11H15(226)<=>CC(C)C(29484)+C11H14(278) 1.225854e+27 -4.376 6.154 + +! Reaction index: Chemkin #5054; RMG #409784 +! Template reaction: H_Abstraction +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H9R(285)<=>CC(C)C(29484)+C6H8R(287) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #5055; RMG #409799 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(285); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C6H10R(90)<=>CC(C)C(29484)+C6H9R(285) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5056; RMG #409828 +! Template reaction: Disproportionation +! Flux pairs: C6H9(114), C6H8(290); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C6H9(114)<=>CC(C)C(29484)+C6H8(290) 1.225854e+27 -4.376 6.100 + +! Reaction index: Chemkin #5057; RMG #410198 +! Template reaction: Disproportionation +! Flux pairs: C11H13(298), C11H12(329); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C11H13(298)<=>CC(C)C(29484)+C11H12(329) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #5058; RMG #80552 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H8(173), C11H17(10750); C6H9(113), C11H17(10750); +! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C5H8(173)+C6H9(113)<=>C11H17(10750) 2.490000e+04 2.410 8.810 + +! Reaction index: Chemkin #5059; RMG #144069 +! Library reaction: restart_edge +! Flux pairs: C3H4R(78), C9H11R(18276); C6H7(239), C9H11R(18276); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R +C3H4R(78)+C6H7(239)<=>C9H11R(18276) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #5060; RMG #275477 +! Library reaction: restart_edge +! Flux pairs: C3H5(102), C9H13R(24328); C6H8R(287), C9H13R(24328); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +! Multiplied by reaction path degeneracy 2.0 +C3H5(102)+C6H8R(287)<=>C9H13R(24328) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #5061; RMG #144329 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C12H16(18381); C6H9(113), C12H16(18381); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H9(113)<=>C12H16(18381) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #5062; RMG #144192 +! Library reaction: restart_edge +! Flux pairs: C3H5(102), C9H12(18323); C6H7(239), C9H12(18323); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +C3H5(102)+C6H7(239)<=>C9H12(18323) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #5063; RMG #322094 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C9H13(311); C9H12(18323), C9H13(311); +! From training reaction 9 used for Cds-HH_Cds-CsH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C9H12(18323)<=>C9H13(311) 3.360000e+08 1.560 0.600 + +! Reaction index: Chemkin #5064; RMG #424319 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(65), RC10L(1); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C9H17LR(65)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 4.616 + +! Reaction index: Chemkin #5065; RMG #424325 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(69), RC10L(1); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C9H17LR(69)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 4.616 + +! Reaction index: Chemkin #5066; RMG #424331 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(66), RC10L(1); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C9H17LR(66)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 4.274 + +! Reaction index: Chemkin #5067; RMG #424337 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(68), RC10L(1); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C9H17LR(68)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 4.274 + +! Reaction index: Chemkin #5068; RMG #424343 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(72), RC10L(1); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C9H17LR(72)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 4.616 + +! Reaction index: Chemkin #5069; RMG #424349 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(73), RC10L(1); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C9H17LR(73)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 3.834 + +! Reaction index: Chemkin #5070; RMG #424355 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(71), RC10L(1); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C9H17LR(71)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 3.834 + +! Reaction index: Chemkin #5071; RMG #424361 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(67), RC10L(1); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C9H17LR(67)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 4.274 + +! Reaction index: Chemkin #5072; RMG #424367 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(70), RC10L(1); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C9H17LR(70)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 3.834 + +! Reaction index: Chemkin #5073; RMG #424421 +! Template reaction: Disproportionation +! Flux pairs: C10H20R(64), RC10(2); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C10H20R(64)<=>C9H12(18323)+RC10(2) 1.225854e+27 -4.376 4.274 + +! Reaction index: Chemkin #5074; RMG #424475 +! Template reaction: Disproportionation +! Flux pairs: C10H20L(76), LC10(3); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C10H20L(76)<=>C9H12(18323)+LC10(3) 1.225854e+27 -4.376 4.274 + +! Reaction index: Chemkin #5075; RMG #424481 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C9H13(311)<=>C3H5R(12)+C9H12(18323) 1.225854e+27 -4.376 6.922 + +! Reaction index: Chemkin #5076; RMG #424521 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C9H13(311)<=>CC(C)L(13)+C9H12(18323) 1.225854e+27 -4.376 3.834 + +! Reaction index: Chemkin #5077; RMG #424533 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C9H13(311)<=>C6H11R(17)+C9H12(18323) 1.225854e+27 -4.376 7.050 + +! Reaction index: Chemkin #5078; RMG #424579 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C9H13(311)<=>C3H6(18)+C9H12(18323) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #5079; RMG #424653 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C9H13(311)<=>CC(C)CR(20)+C9H12(18323) 1.225854e+27 -4.376 3.834 + +! Reaction index: Chemkin #5080; RMG #424723 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C9H13(311)<=>CR(22)+C9H12(18323) 1.225854e+27 -4.376 3.834 + +! Reaction index: Chemkin #5081; RMG #424759 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H14R(9)+C9H13(311)<=>CC(C)CC(C)CR(23)+C9H12(18323) 1.225854e+27 -4.376 3.834 + +! Reaction index: Chemkin #5082; RMG #424771 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C9H13(311)<=>C5H9L(24)+C9H12(18323) 1.225854e+27 -4.376 7.050 + +! Reaction index: Chemkin #5083; RMG #424829 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H12L(11)+C9H13(311)<=>CC(C)CC(C)L(25)+C9H12(18323) 1.225854e+27 -4.376 3.834 + +! Reaction index: Chemkin #5084; RMG #424847 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C9H13(311)<=>CCL(26)+C9H12(18323) 1.225854e+27 -4.376 4.274 + +! Reaction index: Chemkin #5085; RMG #424853 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C9H13(311)<=>CCCR(27)+C9H12(18323) 1.225854e+27 -4.376 4.274 + +! Reaction index: Chemkin #5086; RMG #424871 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C9H13(311)<=>C6H11R(56)+C9H12(18323) 1.225854e+27 -4.376 7.361 + +! Reaction index: Chemkin #5087; RMG #424889 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C9H13(311)<=>C6H11R(56)+C9H12(18323) 1.225854e+27 -4.376 6.263 + +! Reaction index: Chemkin #5088; RMG #424923 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C9H13(311)<=>C5H9L(57)+C9H12(18323) 1.225854e+27 -4.376 7.361 + +! Reaction index: Chemkin #5089; RMG #424935 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C9H13(311)<=>C5H9L(57)+C9H12(18323) 1.225854e+27 -4.376 6.263 + +! Reaction index: Chemkin #5090; RMG #424969 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C9H13(311)<=>C3H5R(58)+C9H12(18323) 1.225854e+27 -4.376 6.263 + +! Reaction index: Chemkin #5091; RMG #425003 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C9H13(311)<=>C3H5L(59)+C9H12(18323) 2.451708e+27 -4.376 6.263 + +! Reaction index: Chemkin #5092; RMG #425031 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C9H13(311)<=>C4H7R(60)+C9H12(18323) 2.451708e+27 -4.376 6.263 + +! Reaction index: Chemkin #5093; RMG #425037 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C9H13(311)<=>C4H7R(60)+C9H12(18323) 1.225854e+27 -4.376 6.922 + +! Reaction index: Chemkin #5094; RMG #425065 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H14L(112)+C9H13(311)<=>C8H15L(61)+C9H12(18323) 1.225854e+27 -4.376 7.361 + +! Reaction index: Chemkin #5095; RMG #425135 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C9H13(311)<=>C7H13R(62)+C9H12(18323) 1.225854e+27 -4.376 7.050 + +! Reaction index: Chemkin #5096; RMG #425187 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C9H13(311)<=>C6H11L(63)+C9H12(18323) 1.225854e+27 -4.376 7.050 + +! Reaction index: Chemkin #5097; RMG #425227 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C9H13(311)<=>C(75)+C9H12(18323) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5098; RMG #425233 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C9H13(311)<=>C4H7R(81)+C9H12(18323) 1.225854e+27 -4.376 6.263 + +! Reaction index: Chemkin #5099; RMG #425261 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_N-4R->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C9H13(311)<=>[H][H](83)+C9H12(18323) 2.169000e+13 0.000 2.559 + +! Reaction index: Chemkin #5100; RMG #425267 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C9H13(311)<=>C5H9L(84)+C9H12(18323) 1.225854e+27 -4.376 7.038 + +! Reaction index: Chemkin #5101; RMG #425307 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C9H13(311)<=>C3H5L(86)+C9H12(18323) 1.225854e+27 -4.376 6.263 + +! Reaction index: Chemkin #5102; RMG #425397 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C9H13(311)<=>CCC(95)+C9H12(18323) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5103; RMG #425403 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C9H13(311)<=>CCC(95)+C9H12(18323) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5104; RMG #425409 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C9H13(311)<=>C6H11R(98)+C9H12(18323) 1.225854e+27 -4.376 7.038 + +! Reaction index: Chemkin #5105; RMG #425511 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C9H13(311)<=>C6H11L(107)+C9H12(18323) 1.225854e+27 -4.376 7.361 + +! Reaction index: Chemkin #5106; RMG #425523 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C9H13(311)<=>C6H11L(107)+C9H12(18323) 1.225854e+27 -4.376 6.263 + +! Reaction index: Chemkin #5107; RMG #425557 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C9H13(311)<=>C6H10(110)+C9H12(18323) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5108; RMG #425619 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C9H13(311)<=>C6H10(116)+C9H12(18323) 2.451708e+27 -4.376 7.628 + +! Reaction index: Chemkin #5109; RMG #425625 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C9H13(311)<=>C6H10(116)+C9H12(18323) 1.225854e+27 -4.376 7.628 + +! Reaction index: Chemkin #5110; RMG #425659 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C9H13(311)<=>C6H8(118)+C9H12(18323) 2.451708e+27 -4.376 7.020 + +! Reaction index: Chemkin #5111; RMG #425665 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C9H13(311)<=>C6H8(118)+C9H12(18323) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5112; RMG #425721 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C9H13(311)<=>C7H13R(120)+C9H12(18323) 1.225854e+27 -4.376 7.361 + +! Reaction index: Chemkin #5113; RMG #425739 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C9H13(311)<=>C7H13R(120)+C9H12(18323) 1.225854e+27 -4.376 6.263 + +! Reaction index: Chemkin #5114; RMG #425767 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C9H13(311)<=>C6H8(125)+C9H12(18323) 2.451708e+27 -4.376 7.102 + +! Reaction index: Chemkin #5115; RMG #425829 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C9H13(311)<=>C4H8(157)+C9H12(18323) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #5116; RMG #425857 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C9H13(311)<=>C5H8(173)+C9H12(18323) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #5117; RMG #425925 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C9H13(311)<=>C5H8(180)+C9H12(18323) 2.451708e+27 -4.376 7.628 + +! Reaction index: Chemkin #5118; RMG #426021 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C9H13(311)<=>C6H9R(285)+C9H12(18323) 1.225854e+27 -4.376 8.206 + +! Reaction index: Chemkin #5119; RMG #426273 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C9H13(311)<=>CCCC(C)L(16)+C9H12(18323) 1.225854e+27 -4.376 4.274 + +! Reaction index: Chemkin #5120; RMG #426643 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C9H13(311)<=>CCCC(C)CR(32)+C9H12(18323) 1.225854e+27 -4.376 4.274 + +! Reaction index: Chemkin #5121; RMG #426757 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C9H13(311)<=>CC(L)CC(C)L(35)+C9H12(18323) 1.225854e+27 -4.376 4.616 + +! Reaction index: Chemkin #5122; RMG #427255 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C9H13(311)<=>C8H17L(49)+C9H12(18323) 1.225854e+27 -4.376 4.274 + +! Reaction index: Chemkin #5123; RMG #427479 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C7H15(85)+C9H13(311)<=>CC(C)CC(C)C(87)+C9H12(18323) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5124; RMG #428427 +! Template reaction: Disproportionation +! Flux pairs: C10H13(202), C10H14(179); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C10H13(202)<=>C9H12(18323)+C10H14(179) 1.225854e+27 -4.376 7.689 + +! Reaction index: Chemkin #5125; RMG #428563 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C9H13(311)<=>C5H6(187)+C9H12(18323) 6.129270e+27 -4.376 7.003 + +! Reaction index: Chemkin #5126; RMG #429435 +! Template reaction: Disproportionation +! Flux pairs: C11H15(234), C11H16(229); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C11H15(234)<=>C9H12(18323)+C11H16(229) 1.225854e+27 -4.376 7.628 + +! Reaction index: Chemkin #5127; RMG #430377 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C9H13(311)<=>C6H8(290)+C9H12(18323) 1.225854e+27 -4.376 9.038 + +! Reaction index: Chemkin #5128; RMG #430485 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C9H13(311)<=>C6H11L(325)+C9H12(18323) 1.225854e+27 -4.376 7.402 + +! Reaction index: Chemkin #5129; RMG #430585 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C9H13(311)<=>C7H13R(330)+C9H12(18323) 1.225854e+27 -4.376 7.402 + +! Reaction index: Chemkin #5130; RMG #430751 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C9H13(311)<=>CC(C)C(29484)+C9H12(18323) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5131; RMG #144326 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C12H16(18379); C6H9(113), C12H16(18379); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H9(113)<=>C12H16(18379) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #5132; RMG #437115 +! Template reaction: Disproportionation +! Flux pairs: C12H15(323), C12H16(269); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C12H15(323)<=>C9H12(18323)+C12H16(269) 1.225854e+27 -4.376 7.689 + +! Reaction index: Chemkin #5133; RMG #437999 +! Template reaction: Disproportionation +! Flux pairs: C11H13(298), C11H14(276); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C11H13(298)<=>C9H12(18323)+C11H14(276) 1.225854e+27 -4.376 7.689 + +! Reaction index: Chemkin #5134; RMG #144324 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C12H16(18378); C6H9(113), C12H16(18378); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H9(113)<=>C12H16(18378) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #5135; RMG #144321 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C12H16(18376); C6H9(113), C12H16(18376); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H9(113)<=>C12H16(18376) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #5136; RMG #144319 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C12H16(18375); C6H9(113), C12H16(18375); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H9(113)<=>C12H16(18375) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #5137; RMG #143561 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C2H3L(19), C8H10L(18195); C6H7(239), C8H10L(18195); +! Estimated using template [Cds-HH_Cds-CsH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C2H3L(19)+C6H7(239)<=>C8H10L(18195) 6.550000e+02 2.620 10.900 + +! Reaction index: Chemkin #5138; RMG #451247 +! Template reaction: Intra_R_Add_Endocyclic +! Flux pairs: C8H10L(18195), C8H10L(30674); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing +C8H10L(18195)<=>C8H10L(30674) 1.260000e+11 0.160 6.026 + +! Reaction index: Chemkin #5139; RMG #144327 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C12H16(18380); C6H9(113), C12H16(18380); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R +C6H7(239)+C6H9(113)<=>C12H16(18380) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #5140; RMG #196582 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C12H17(266); C12H16(18380), C12H17(266); +! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C12H16(18380)<=>C12H17(266) 2.310000e+08 1.640 -0.470 + +! Reaction index: Chemkin #5141; RMG #451304 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(65)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 6.578 + +! Reaction index: Chemkin #5142; RMG #451312 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(69)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 6.578 + +! Reaction index: Chemkin #5143; RMG #451320 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(66)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5144; RMG #451328 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(68)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5145; RMG #451336 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(72)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 6.578 + +! Reaction index: Chemkin #5146; RMG #451344 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(73)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #5147; RMG #451352 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(71)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #5148; RMG #451360 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(67)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5149; RMG #451368 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(70)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #5150; RMG #451440 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C10H20R(64), RC10(2); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20R(64)+C12H17(266)<=>RC10(2)+C12H16(18380) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5151; RMG #451512 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C10H20L(76), LC10(3); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20L(76)+C12H17(266)<=>LC10(3)+C12H16(18380) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5152; RMG #451520 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C12H17(266)<=>C3H5R(12)+C12H16(18380) 1.225854e+27 -4.376 9.405 + +! Reaction index: Chemkin #5153; RMG #451572 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C12H17(266)<=>CC(C)L(13)+C12H16(18380) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #5154; RMG #451596 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C12H17(266)<=>CCCC(C)L(16)+C12H16(18380) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5155; RMG #451628 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C12H17(266)<=>C6H11R(17)+C12H16(18380) 1.225854e+27 -4.376 9.560 + +! Reaction index: Chemkin #5156; RMG #451688 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C12H17(266)<=>C3H6(18)+C12H16(18380) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #5157; RMG #451784 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C12H17(266)<=>CC(C)CR(20)+C12H16(18380) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #5158; RMG #451876 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C12H17(266)<=>CR(22)+C12H16(18380) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #5159; RMG #451924 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H14R(9)+C12H17(266)<=>CC(C)CC(C)CR(23)+C12H16(18380) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #5160; RMG #451940 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C12H17(266)<=>C5H9L(24)+C12H16(18380) 1.225854e+27 -4.376 9.560 + +! Reaction index: Chemkin #5161; RMG #452016 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H12L(11)+C12H17(266)<=>CC(C)CC(C)L(25)+C12H16(18380) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #5162; RMG #452040 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C12H17(266)<=>CCL(26)+C12H16(18380) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5163; RMG #452048 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C12H17(266)<=>CCCR(27)+C12H16(18380) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5164; RMG #452088 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C12H17(266)<=>CCCC(C)CR(32)+C12H16(18380) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5165; RMG #452120 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C12H17(266)<=>C6H11R(56)+C12H16(18380) 1.225854e+27 -4.376 9.934 + +! Reaction index: Chemkin #5166; RMG #452144 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C12H17(266)<=>C6H11R(56)+C12H16(18380) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #5167; RMG #452188 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C12H17(266)<=>C5H9L(57)+C12H16(18380) 1.225854e+27 -4.376 9.934 + +! Reaction index: Chemkin #5168; RMG #452204 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C12H17(266)<=>C5H9L(57)+C12H16(18380) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #5169; RMG #452248 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C12H17(266)<=>C3H5R(58)+C12H16(18380) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #5170; RMG #452292 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C12H17(266)<=>C3H5L(59)+C12H16(18380) 2.451708e+27 -4.376 8.605 + +! Reaction index: Chemkin #5171; RMG #452328 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C12H17(266)<=>C4H7R(60)+C12H16(18380) 2.451708e+27 -4.376 8.605 + +! Reaction index: Chemkin #5172; RMG #452336 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C12H17(266)<=>C4H7R(60)+C12H16(18380) 1.225854e+27 -4.376 9.405 + +! Reaction index: Chemkin #5173; RMG #452372 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H14L(112)+C12H17(266)<=>C8H15L(61)+C12H16(18380) 1.225854e+27 -4.376 9.934 + +! Reaction index: Chemkin #5174; RMG #452464 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C12H17(266)<=>C7H13R(62)+C12H16(18380) 1.225854e+27 -4.376 9.560 + +! Reaction index: Chemkin #5175; RMG #452532 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C12H17(266)<=>C6H11L(63)+C12H16(18380) 1.225854e+27 -4.376 9.560 + +! Reaction index: Chemkin #5176; RMG #452584 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C12H17(266)<=>C(75)+C12H16(18380) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5177; RMG #452592 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C12H17(266)<=>C4H7R(81)+C12H16(18380) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #5178; RMG #452628 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_N-4R->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C12H17(266)<=>[H][H](83)+C12H16(18380) 2.169000e+13 0.000 4.043 + +! Reaction index: Chemkin #5179; RMG #452636 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C12H17(266)<=>C5H9L(84)+C12H16(18380) 1.225854e+27 -4.376 9.545 + +! Reaction index: Chemkin #5180; RMG #452688 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C12H17(266)<=>C3H5L(86)+C12H16(18380) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #5181; RMG #452804 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C12H17(266)<=>CCC(95)+C12H16(18380) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5182; RMG #452812 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C12H17(266)<=>CCC(95)+C12H16(18380) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5183; RMG #452820 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C12H17(266)<=>C6H11R(98)+C12H16(18380) 1.225854e+27 -4.376 9.545 + +! Reaction index: Chemkin #5184; RMG #452952 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C12H17(266)<=>C6H11L(107)+C12H16(18380) 1.225854e+27 -4.376 9.934 + +! Reaction index: Chemkin #5185; RMG #452968 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C12H17(266)<=>C6H11L(107)+C12H16(18380) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #5186; RMG #453012 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C12H17(266)<=>C6H10(110)+C12H16(18380) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5187; RMG #453092 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C12H17(266)<=>C6H10(116)+C12H16(18380) 2.451708e+27 -4.376 10.255 + +! Reaction index: Chemkin #5188; RMG #453100 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C12H17(266)<=>C6H10(116)+C12H16(18380) 1.225854e+27 -4.376 10.255 + +! Reaction index: Chemkin #5189; RMG #453144 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C12H17(266)<=>C6H8(118)+C12H16(18380) 2.451708e+27 -4.376 9.523 + +! Reaction index: Chemkin #5190; RMG #453152 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C12H17(266)<=>C6H8(118)+C12H16(18380) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5191; RMG #453224 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C12H17(266)<=>C7H13R(120)+C12H16(18380) 1.225854e+27 -4.376 9.934 + +! Reaction index: Chemkin #5192; RMG #453248 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C12H17(266)<=>C7H13R(120)+C12H16(18380) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #5193; RMG #453284 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C12H17(266)<=>C6H8(125)+C12H16(18380) 2.451708e+27 -4.376 9.622 + +! Reaction index: Chemkin #5194; RMG #453364 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C12H17(266)<=>C4H8(157)+C12H16(18380) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #5195; RMG #453444 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C12H17(266)<=>C5H8(173)+C12H16(18380) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #5196; RMG #453532 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C12H17(266)<=>C5H8(180)+C12H16(18380) 2.451708e+27 -4.376 10.255 + +! Reaction index: Chemkin #5197; RMG #453558 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C12H17(266)<=>C5H6(187)+C12H16(18380) 6.129270e+27 -4.376 9.503 + +! Reaction index: Chemkin #5198; RMG #453772 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C12H17(266)<=>C6H9R(285)+C12H16(18380) 1.225854e+27 -4.376 10.947 + +! Reaction index: Chemkin #5199; RMG #453852 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C12H17(266)<=>C6H8(290)+C12H16(18380) 1.225854e+27 -4.376 11.938 + +! Reaction index: Chemkin #5200; RMG #453924 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C12H17(266)<=>C6H11L(325)+C12H16(18380) 1.225854e+27 -4.376 9.983 + +! Reaction index: Chemkin #5201; RMG #453976 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C12H17(266)<=>C7H13R(330)+C12H16(18380) 1.225854e+27 -4.376 9.983 + +! Reaction index: Chemkin #5202; RMG #454044 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C12H17(266)<=>CC(C)C(29484)+C12H16(18380) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5203; RMG #454177 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C12H17(266)<=>CC(L)CC(C)L(35)+C12H16(18380) 1.225854e+27 -4.376 6.578 + +! Reaction index: Chemkin #5204; RMG #454449 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C12H17(266)<=>C8H17L(49)+C12H16(18380) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5205; RMG #454550 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C7H15(85)+C12H17(266)<=>CC(C)CC(C)C(87)+C12H16(18380) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5206; RMG #144322 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C12H16(18377); C6H9(113), C12H16(18377); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C6H7(239)+C6H9(113)<=>C12H16(18377) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #5207; RMG #144316 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C12H16(18374); C6H9(113), C12H16(18374); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R +C6H7(239)+C6H9(113)<=>C12H16(18374) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #5208; RMG #143432 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(65), RC10L(1); C6H8(18175), C6H7(239); +! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C9H17LR(65)<=>C6H7(239)+RC10L(1) 3.832000e-03 4.340 -2.500 + +! Reaction index: Chemkin #5209; RMG #143433 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(69), RC10L(1); C6H8(18175), C6H7(239); +! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C9H17LR(69)<=>C6H7(239)+RC10L(1) 3.832000e-03 4.340 -2.500 + +! Reaction index: Chemkin #5210; RMG #143434 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H8(18175), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C9H17LR(66)<=>C6H7(239)+RC10L(1) 1.671040e-03 4.260 5.620 + +! Reaction index: Chemkin #5211; RMG #143435 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H8(18175), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C9H17LR(68)<=>C6H7(239)+RC10L(1) 1.671040e-03 4.260 5.620 + +! Reaction index: Chemkin #5212; RMG #143436 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(72), RC10L(1); C6H8(18175), C6H7(239); +! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C9H17LR(72)<=>C6H7(239)+RC10L(1) 3.832000e-03 4.340 -2.500 + +! Reaction index: Chemkin #5213; RMG #143437 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H8(18175), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C9H17LR(73)<=>C6H7(239)+RC10L(1) 4.880000e-03 4.340 1.000 + +! Reaction index: Chemkin #5214; RMG #143438 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H8(18175), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C9H17LR(71)<=>C6H7(239)+RC10L(1) 4.880000e-03 4.340 1.000 + +! Reaction index: Chemkin #5215; RMG #143439 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H8(18175), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C9H17LR(67)<=>C6H7(239)+RC10L(1) 1.671040e-03 4.260 5.620 + +! Reaction index: Chemkin #5216; RMG #143440 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H8(18175), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C9H17LR(70)<=>C6H7(239)+RC10L(1) 4.880000e-03 4.340 1.000 + +! Reaction index: Chemkin #5217; RMG #143457 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H8(18175), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C10H20R(64)<=>C6H7(239)+RC10(2) 1.671040e-03 4.260 5.620 + +! Reaction index: Chemkin #5218; RMG #143482 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H8(18175), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C10H20L(76)<=>C6H7(239)+LC10(3) 1.671040e-03 4.260 5.620 + +! Reaction index: Chemkin #5219; RMG #143493 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C6H8(18175); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H7(239)<=>C2H3L(19)+C6H8(18175) 1.225850e+27 -4.376 10.232 + +! Reaction index: Chemkin #5220; RMG #143500 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C3H4R(78), C3H5R(12); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4R(78)+C6H8(18175)<=>C3H5R(12)+C6H7(239) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #5221; RMG #143511 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H8(18175)<=>CC(C)L(13)+C6H7(239) 4.880000e-03 4.340 1.000 + +! Reaction index: Chemkin #5222; RMG #143519 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H8(18175)<=>CCCC(C)L(16)+C6H7(239) 1.671040e-03 4.260 5.620 + +! Reaction index: Chemkin #5223; RMG #143534 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); C6H8(18175), C6H7(239); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C6H10R(171)<=>C6H7(239)+C6H11R(17) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #5224; RMG #143551 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C3H5(102), C3H6(18); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 8.0 +! family: H_Abstraction +C3H5(102)+C6H8(18175)<=>C3H6(18)+C6H7(239) 1.544000e-02 4.340 6.700 + +! Reaction index: Chemkin #5225; RMG #143574 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H8(18175)<=>CC(C)CR(20)+C6H7(239) 4.880000e-03 4.340 1.000 + +! Reaction index: Chemkin #5226; RMG #143607 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +[CH2]R(14)+C6H8(18175)<=>CR(22)+C6H7(239) 4.880000e-03 4.340 1.000 + +! Reaction index: Chemkin #5227; RMG #143618 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H8(18175), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C7H14R(9)<=>C6H7(239)+CC(C)CC(C)CR(23) 4.880000e-03 4.340 1.000 + +! Reaction index: Chemkin #5228; RMG #143631 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C5H8L(89), C5H9L(24); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8L(89)+C6H8(18175)<=>C5H9L(24)+C6H7(239) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #5229; RMG #143650 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H8(18175), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C6H12L(11)<=>C6H7(239)+CC(C)CC(C)L(25) 4.880000e-03 4.340 1.000 + +! Reaction index: Chemkin #5230; RMG #143658 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C[CH]L(8)+C6H8(18175)<=>CCL(26)+C6H7(239) 1.671040e-03 4.260 5.620 + +! Reaction index: Chemkin #5231; RMG #143662 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C[CH]CR(10)+C6H8(18175)<=>CCCR(27)+C6H7(239) 1.671040e-03 4.260 5.620 + +! Reaction index: Chemkin #5232; RMG #143686 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H8(18175), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C[CH]CC(C)CR(5)<=>C6H7(239)+CCCC(C)CR(32) 1.671040e-03 4.260 5.620 + +! Reaction index: Chemkin #5233; RMG #143728 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C5H9L2(203), CC(L)CC(C)L(35); +! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H9L2(203)+C6H8(18175)<=>CC(L)CC(C)L(35)+C6H7(239) 3.832000e-03 4.340 -2.500 + +! Reaction index: Chemkin #5234; RMG #143851 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H8(18175), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C8H16L(15)<=>C6H7(239)+C8H17L(49) 1.671040e-03 4.260 5.620 + +! Reaction index: Chemkin #5235; RMG #143886 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(56); C6H8(18175), C6H7(239); +! From training reaction 1132 used for C/H2/CdCd;C_rad/CdCs2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/CdCs2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C6H10R(90)<=>C6H7(239)+C6H11R(56) 5.000000e-04 4.340 4.600 + +! Reaction index: Chemkin #5236; RMG #143889 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C6H8(18175), C6H7(239); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C6H10R(171)<=>C6H7(239)+C6H11R(56) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #5237; RMG #143905 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C5H8L(77), C5H9L(57); +! From training reaction 1132 used for C/H2/CdCd;C_rad/CdCs2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/CdCs2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8L(77)+C6H8(18175)<=>C5H9L(57)+C6H7(239) 5.000000e-04 4.340 4.600 + +! Reaction index: Chemkin #5238; RMG #143907 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C5H8L(89), C5H9L(57); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8L(89)+C6H8(18175)<=>C5H9L(57)+C6H7(239) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #5239; RMG #143921 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C3H4R(78), C3H5R(58); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4R(78)+C6H8(18175)<=>C3H5R(58)+C6H7(239) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #5240; RMG #143932 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 8.0 +! family: H_Abstraction +C3H4L(147)+C6H8(18175)<=>C3H5L(59)+C6H7(239) 1.544000e-02 4.340 6.700 + +! Reaction index: Chemkin #5241; RMG #143940 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 8.0 +! family: H_Abstraction +C4H6R(224)+C6H8(18175)<=>C4H7R(60)+C6H7(239) 1.544000e-02 4.340 6.700 + +! Reaction index: Chemkin #5242; RMG #143941 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C4H6R(79), C4H7R(60); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(79)+C6H8(18175)<=>C4H7R(60)+C6H7(239) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #5243; RMG #143956 +! Template reaction: H_Abstraction +! Flux pairs: C8H14L(112), C8H15L(61); C6H8(18175), C6H7(239); +! From training reaction 1132 used for C/H2/CdCd;C_rad/CdCs2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/CdCs2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C8H14L(112)<=>C6H7(239)+C8H15L(61) 5.000000e-04 4.340 4.600 + +! Reaction index: Chemkin #5244; RMG #143982 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C6H8(18175), C6H7(239); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C7H12R(108)<=>C6H7(239)+C7H13R(62) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #5245; RMG #144002 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); C6H8(18175), C6H7(239); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C6H10L(103)<=>C6H7(239)+C6H11L(63) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #5246; RMG #144014 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); CH3(74), C(75); +! From training reaction 1126 used for C/H2/CdCd;C_methyl +! Exact match found for rate rule [C/H2/CdCd;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CH3(74)+C6H8(18175)<=>C(75)+C6H7(239) 4.240000e-02 4.340 1.700 + +! Reaction index: Chemkin #5247; RMG #144037 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C6H8(18175); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H7(239)<=>C5H7L(262)+C6H8(18175) 1.225850e+27 -4.376 13.349 + +! Reaction index: Chemkin #5248; RMG #144084 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(79)+C6H8(18175)<=>C4H7R(81)+C6H7(239) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #5249; RMG #144092 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); H(82), [H][H](83); +! From training reaction 1125 used for C/H2/CdCd;H_rad +! Exact match found for rate rule [C/H2/CdCd;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +H(82)+C6H8(18175)<=>[H][H](83)+C6H7(239) 1.788000e+00 4.340 -0.400 + +! Reaction index: Chemkin #5250; RMG #144098 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C5H8L(77), C5H9L(84); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8L(77)+C6H8(18175)<=>C5H9L(84)+C6H7(239) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #5251; RMG #144113 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C3H4L(219), C3H5L(86); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(219)+C6H8(18175)<=>C3H5L(86)+C6H7(239) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #5252; RMG #144126 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H8(18175), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C7H15(85)<=>C6H7(239)+CC(C)CC(C)C(87) 4.880000e-03 4.340 1.000 + +! Reaction index: Chemkin #5253; RMG #144134 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(285); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H10R(90)<=>C6H8(18175)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5254; RMG #144168 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C[CH]C(94), CCC(95); +! From training reaction 1128 used for C/H2/CdCd;C_rad/H/Cs\H3/Cs\H3 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/Cs\H3/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C[CH]C(94)+C6H8(18175)<=>CCC(95)+C6H7(239) 4.640000e-03 4.340 -0.400 + +! Reaction index: Chemkin #5255; RMG #144169 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +[CH2]CC(195)+C6H8(18175)<=>CCC(95)+C6H7(239) 4.880000e-03 4.340 1.000 + +! Reaction index: Chemkin #5256; RMG #144176 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C6H8(18175), C6H7(239); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C6H10R(90)<=>C6H7(239)+C6H11R(98) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #5257; RMG #144251 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(169), C6H11L(107); C6H8(18175), C6H7(239); +! From training reaction 1132 used for C/H2/CdCd;C_rad/CdCs2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/CdCs2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C6H10L(169)<=>C6H7(239)+C6H11L(107) 5.000000e-04 4.340 4.600 + +! Reaction index: Chemkin #5258; RMG #144253 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(107); C6H8(18175), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C6H10L(103)<=>C6H7(239)+C6H11L(107) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #5259; RMG #144269 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(113), C6H10(110); C6H8(18175), C6H7(239); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C6H9(113)<=>C6H7(239)+C6H10(110) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #5260; RMG #144337 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(160), C6H10(116); C6H8(18175), C6H7(239); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 8.0 +! family: H_Abstraction +C6H8(18175)+C6H9(160)<=>C6H7(239)+C6H10(116) 7.848000e-03 4.340 6.300 + +! Reaction index: Chemkin #5261; RMG #144338 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(114), C6H10(116); C6H8(18175), C6H7(239); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C6H9(114)<=>C6H7(239)+C6H10(116) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #5262; RMG #144355 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H8(118); C6H7(123), C6H7(239); +! From training reaction 3030 used for C/H2/CdCd;C_rad/H/CdCd +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 8.0 +! family: H_Abstraction +C6H7(123)+C6H8(18175)<=>C6H7(239)+C6H8(118) 3.128000e-03 4.340 8.900 + +! Reaction index: Chemkin #5263; RMG #144356 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H8(118); C6H7(239), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H7(239)+C6H8(18175)<=>C6H7(239)+C6H8(118) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #5264; RMG #144375 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(199), C7H13R(120); C6H8(18175), C6H7(239); +! From training reaction 1132 used for C/H2/CdCd;C_rad/CdCs2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/CdCs2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C7H12R(199)<=>C6H7(239)+C7H13R(120) 5.000000e-04 4.340 4.600 + +! Reaction index: Chemkin #5265; RMG #144378 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C6H8(18175), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C7H12R(108)<=>C6H7(239)+C7H13R(120) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #5266; RMG #144394 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H8(125); C6H7(123), C6H7(239); +! From training reaction 3030 used for C/H2/CdCd;C_rad/H/CdCd +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 8.0 +! family: H_Abstraction +C6H7(123)+C6H8(18175)<=>C6H7(239)+C6H8(125) 3.128000e-03 4.340 8.900 + +! Reaction index: Chemkin #5267; RMG #144455 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCd;C_rad/H2/Cd] for rate rule [C/H2/CdCd;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 8.0 +! family: H_Abstraction +C4H7(156)+C6H8(18175)<=>C4H8(157)+C6H7(239) 1.544000e-02 4.340 6.700 + +! Reaction index: Chemkin #5268; RMG #144499 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C5H7(174), C5H8(173); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 8.0 +! family: H_Abstraction +C5H7(174)+C6H8(18175)<=>C5H8(173)+C6H7(239) 1.544000e-02 4.340 6.700 + +! Reaction index: Chemkin #5269; RMG #144526 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C5H7(178), C5H8(180); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 8.0 +! family: H_Abstraction +C5H7(178)+C6H8(18175)<=>C5H8(180)+C6H7(239) 7.848000e-03 4.340 6.300 + +! Reaction index: Chemkin #5270; RMG #144536 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C5H5(189), C5H6(187); +! From training reaction 3030 used for C/H2/CdCd;C_rad/H/CdCd +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 20.0 +! family: H_Abstraction +C5H5(189)+C6H8(18175)<=>C5H6(187)+C6H7(239) 7.820000e-03 4.340 8.900 + +! Reaction index: Chemkin #5271; RMG #144703 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C6H8(18175); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H7(239)<=>C6H6(252)+C6H8(18175) 1.547940e+12 0.025 0.140 + +! Reaction index: Chemkin #5272; RMG #147161 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C6H8(18175); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C6H7(239)<=>C5H7L(262)+C6H8(18175) 5.258140e+13 -0.550 2.163 + +! Reaction index: Chemkin #5273; RMG #147693 +! Library reaction: restart_edge +! Flux pairs: C6H9(114), C6H8(125); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H9(114)<=>C6H8(18175)+C6H8(125) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5274; RMG #147694 +! Library reaction: restart_edge +! Flux pairs: C6H9(114), C6H8(18175); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C6H9(114)<=>C6H8(290)+C6H8(18175) 1.225850e+27 -4.376 14.489 + +! Reaction index: Chemkin #5275; RMG #147700 +! Library reaction: restart_edge +! Flux pairs: C6H9(114), C6H8(118); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H9(114)<=>C6H8(18175)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5276; RMG #148250 +! Library reaction: restart_edge +! Flux pairs: C6H9(160), C6H8(125); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(239)+C6H9(160)<=>C6H8(18175)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #5277; RMG #148514 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C6H8(18175); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H7(239)<=>C5H6(187)+C6H8(18175) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #5278; RMG #148549 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C6H8(18175), C6H7(239); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C10H13(202)<=>C6H7(239)+C10H14(179) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #5279; RMG #149716 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C6H8(18175), C6H7(239); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C11H15(234)<=>C6H7(239)+C11H16(229) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #5280; RMG #163472 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C6H8(18175); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H7(239)<=>C3H5R(58)+C6H8(18175) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5281; RMG #163473 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C6H8(18175); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H7(239)<=>C3H5R(12)+C6H8(18175) 1.225850e+27 -4.376 10.232 + +! Reaction index: Chemkin #5282; RMG #181713 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C6H8(18175); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C6H7(239)<=>C6H6(252)+C6H8(18175) 1.225850e+27 -4.376 14.676 + +! Reaction index: Chemkin #5283; RMG #205646 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C6H8(18175); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C6H7(239)<=>C3H6(18)+C6H8(18175) 2.451710e+27 -4.376 10.101 + +! Reaction index: Chemkin #5284; RMG #212413 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(323), C12H16(269); C6H8(18175), C6H7(239); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C12H15(323)<=>C6H7(239)+C12H16(269) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #5285; RMG #256898 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(298), C11H14(276); C6H8(18175), C6H7(239); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C11H13(298)<=>C6H7(239)+C11H14(276) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #5286; RMG #269036 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(285); C6H8(18175), C6H7(239); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C6H8R(287)<=>C6H7(239)+C6H9R(285) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #5287; RMG #279317 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H8(290); C6H7(239), C6H7(239); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H7(239)+C6H8(18175)<=>C6H7(239)+C6H8(290) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #5288; RMG #348922 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(169), C6H11L(325); C6H8(18175), C6H7(239); +! From training reaction 1132 used for C/H2/CdCd;C_rad/CdCs2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/CdCs2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C6H10L(169)<=>C6H7(239)+C6H11L(325) 5.000000e-04 4.340 4.600 + +! Reaction index: Chemkin #5289; RMG #370564 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(199), C7H13R(330); C6H8(18175), C6H7(239); +! From training reaction 1132 used for C/H2/CdCd;C_rad/CdCs2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/CdCs2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C7H12R(199)<=>C6H7(239)+C7H13R(330) 5.000000e-04 4.340 4.600 + +! Reaction index: Chemkin #5290; RMG #409195 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H8(18175)<=>CC(C)C(29484)+C6H7(239) 4.880000e-03 4.340 1.000 + +! Reaction index: Chemkin #5291; RMG #465026 +! Template reaction: R_Recombination +! Flux pairs: C6H7(239), C6H8(18175); H(82), C6H8(18175); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-3R!H-R +H(82)+C6H7(239)<=>C6H8(18175) 1.953380e+12 0.347 0.000 + +! Reaction index: Chemkin #5292; RMG #465191 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C[CH]CC(C)CR(5)<=>C6H8(18175)+C6H11R(17) 1.225854e+27 -4.376 9.998 + +! Reaction index: Chemkin #5293; RMG #465203 +! Template reaction: Disproportionation +! Flux pairs: C6H7(239), C6H8(18175); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H7(239)<=>C3H6(18)+C6H8(18175) 2.105300e+14 -0.550 0.918 + +! Reaction index: Chemkin #5294; RMG #465255 +! Template reaction: Disproportionation +! Flux pairs: C8H16L(15), C8H15L(21); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C8H16L(15)<=>C6H8(18175)+C8H15L(21) 1.225854e+27 -4.376 9.998 + +! Reaction index: Chemkin #5295; RMG #465297 +! Template reaction: Disproportionation +! Flux pairs: C6H7(239), C6H8(18175); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H7(239)<=>C5H9L(24)+C6H8(18175) 1.225854e+27 -4.376 9.998 + +! Reaction index: Chemkin #5296; RMG #465849 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C[CH]CC(C)CR(5)<=>C6H8(18175)+C6H11R(56) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5297; RMG #465870 +! Template reaction: Disproportionation +! Flux pairs: C6H7(239), C6H8(18175); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H7(239)<=>C5H9L(57)+C6H8(18175) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5298; RMG #465896 +! Template reaction: Disproportionation +! Flux pairs: C6H7(239), C6H8(18175); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C6H7(239)<=>C3H5L(59)+C6H8(18175) 5.258140e+13 -0.550 0.780 + +! Reaction index: Chemkin #5299; RMG #465911 +! Template reaction: Disproportionation +! Flux pairs: C6H7(239), C6H8(18175); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C6H7(239)<=>C4H7R(60)+C6H8(18175) 5.258140e+13 -0.550 0.780 + +! Reaction index: Chemkin #5300; RMG #465941 +! Template reaction: Disproportionation +! Flux pairs: C8H16L(15), C8H15L(61); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C8H16L(15)<=>C6H8(18175)+C8H15L(61) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5301; RMG #465965 +! Template reaction: Disproportionation +! Flux pairs: C7H14R(9), C7H13R(62); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H7(239)+C7H14R(9)<=>C6H8(18175)+C7H13R(62) 5.258140e+13 -0.550 0.699 + +! Reaction index: Chemkin #5302; RMG #465986 +! Template reaction: Disproportionation +! Flux pairs: C6H12L(11), C6H11L(63); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H7(239)+C6H12L(11)<=>C6H8(18175)+C6H11L(63) 5.258140e+13 -0.550 0.699 + +! Reaction index: Chemkin #5303; RMG #466671 +! Template reaction: Disproportionation +! Flux pairs: C6H7(239), C6H8(18175); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C6H7(239)<=>C4H8(157)+C6H8(18175) 5.258140e+13 -0.550 0.684 + +! Reaction index: Chemkin #5304; RMG #466871 +! Template reaction: Disproportionation +! Flux pairs: C10H15(183), C10H14(184); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C10H15(183)<=>C6H8(18175)+C10H14(184) 1.225854e+27 -4.376 13.118 + +! Reaction index: Chemkin #5305; RMG #466950 +! Template reaction: Disproportionation +! Flux pairs: C8H13(191), C8H12(194); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C8H13(191)<=>C6H8(18175)+C8H12(194) 1.225854e+27 -4.376 10.232 + +! Reaction index: Chemkin #5306; RMG #467001 +! Template reaction: Disproportionation +! Flux pairs: C10H13(202), C10H12(201); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C10H13(202)<=>C6H8(18175)+C10H12(201) 1.350000e+03 2.700 0.551 + +! Reaction index: Chemkin #5307; RMG #467326 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(240); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C10H14R(316)<=>C6H8(18175)+C10H13R(240) 1.225854e+27 -4.376 10.009 + +! Reaction index: Chemkin #5308; RMG #467383 +! Template reaction: Disproportionation +! Flux pairs: C12H15(283), C12H14(244); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C12H15(283)<=>C6H8(18175)+C12H14(244) 1.225854e+27 -4.376 14.581 + +! Reaction index: Chemkin #5309; RMG #468012 +! Template reaction: Disproportionation +! Flux pairs: C11H15(256), C11H14(271); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H15(256)<=>C6H8(18175)+C11H14(271) 1.225854e+27 -4.376 13.118 + +! Reaction index: Chemkin #5310; RMG #468054 +! Template reaction: Disproportionation +! Flux pairs: C9H13(260), C9H12(272); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C9H13(260)<=>C6H8(18175)+C9H12(272) 1.225854e+27 -4.376 10.232 + +! Reaction index: Chemkin #5311; RMG #468306 +! Template reaction: Disproportionation +! Flux pairs: C11H15(226), C11H14(278); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H15(226)<=>C6H8(18175)+C11H14(278) 1.225854e+27 -4.376 14.581 + +! Reaction index: Chemkin #5312; RMG #469358 +! Template reaction: Disproportionation +! Flux pairs: C11H13(298), C11H12(329); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C11H13(298)<=>C6H8(18175)+C11H12(329) 1.350000e+03 2.700 0.551 + +! Reaction index: Chemkin #5313; RMG #469820 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C9H13(311)<=>C6H8(18175)+C9H12(18323) 1.225854e+27 -4.376 10.232 + +! Reaction index: Chemkin #5314; RMG #470036 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C12H17(266)<=>C6H8(18175)+C12H16(18380) 1.225854e+27 -4.376 13.349 + +! Reaction index: Chemkin #5315; RMG #144065 +! Library reaction: restart_edge +! Flux pairs: C3H4R(78), C9H11R(18275); C6H7(239), C9H11R(18275); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C3H4R(78)+C6H7(239)<=>C9H11R(18275) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #5316; RMG #275400 +! Library reaction: restart_edge +! Flux pairs: C3H4R(78), C9H12R2(24302); C6H8R(287), C9H12R2(24302); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C3H4R(78)+C6H8R(287)<=>C9H12R2(24302) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #5317; RMG #480624 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C10H13(202), C10H14(179); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H13(202)+C12H17(266)<=>C10H14(179)+C12H16(18380) 1.225854e+27 -4.376 10.329 + +! Reaction index: Chemkin #5318; RMG #484445 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C11H15(234), C11H16(229); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H15(234)+C12H17(266)<=>C11H16(229)+C12H16(18380) 1.225854e+27 -4.376 10.255 + +! Reaction index: Chemkin #5319; RMG #41367 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C6H9(113), C12H20L(4090); C6H11L(63), C12H20L(4090); +! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C6H9(113)+C6H11L(63)<=>C12H20L(4090) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #5320; RMG #144080 +! Library reaction: restart_edge +! Flux pairs: C4H6R(79), C10H13R(18283); C6H7(239), C10H13R(18283); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C4H6R(79)+C6H7(239)<=>C10H13R(18283) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #5321; RMG #330148 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C10H14R(316); C10H13R(18283), C10H14R(316); +! From training reaction 2933 used for Cds-CsH_Cds-CsCs;HJ +! Exact match found for rate rule [Cds-CsH_Cds-CsCs;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C10H13R(18283)<=>C10H14R(316) 3.066000e+11 0.481 7.426 + +! Reaction index: Chemkin #5322; RMG #495039 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(65)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5323; RMG #495045 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(69)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5324; RMG #495051 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(66)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5325; RMG #495057 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(68)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5326; RMG #495063 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(72)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5327; RMG #495069 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(73)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5328; RMG #495075 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(71)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5329; RMG #495081 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(67)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5330; RMG #495087 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(70)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5331; RMG #495141 +! Template reaction: Disproportionation +! Flux pairs: C10H20R(64), RC10(2); C10H14R(316), C10H13R(18283); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H14R(316)+C10H20R(64)<=>C10H13R(18283)+RC10(2) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5332; RMG #495195 +! Template reaction: Disproportionation +! Flux pairs: C10H20L(76), LC10(3); C10H14R(316), C10H13R(18283); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H14R(316)+C10H20L(76)<=>C10H13R(18283)+LC10(3) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5333; RMG #495201 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C10H14R(316)<=>C3H5R(12)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5334; RMG #495241 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C10H14R(316)<=>CC(C)L(13)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5335; RMG #495259 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C10H14R(316)<=>CCCC(C)L(16)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5336; RMG #495283 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C10H14R(316)<=>C6H11R(17)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5337; RMG #495329 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C10H14R(316)<=>C3H6(18)+C10H13R(18283) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #5338; RMG #495403 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C10H14R(316)<=>CC(C)CR(20)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5339; RMG #495473 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C10H14R(316)<=>CR(22)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5340; RMG #495509 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H14R(9)+C10H14R(316)<=>CC(C)CC(C)CR(23)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5341; RMG #495521 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C10H14R(316)<=>C5H9L(24)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5342; RMG #495579 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H12L(11)+C10H14R(316)<=>CC(C)CC(C)L(25)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5343; RMG #495597 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C10H14R(316)<=>CCL(26)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5344; RMG #495603 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C10H14R(316)<=>CCCR(27)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5345; RMG #495813 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C10H14R(316)<=>CCCC(C)CR(32)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5346; RMG #495903 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9L2(203)+C10H14R(316)<=>CC(L)CC(C)L(35)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5347; RMG #496401 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C10H14R(316)<=>C8H17L(49)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5348; RMG #496461 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C10H14R(316)<=>C6H11R(56)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5349; RMG #496479 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C10H14R(316)<=>C6H11R(56)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5350; RMG #496513 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C10H14R(316)<=>C5H9L(57)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5351; RMG #496525 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C10H14R(316)<=>C5H9L(57)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5352; RMG #496559 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C10H14R(316)<=>C3H5R(58)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5353; RMG #496593 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C10H14R(316)<=>C3H5L(59)+C10H13R(18283) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #5354; RMG #496621 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(224)+C10H14R(316)<=>C4H7R(60)+C10H13R(18283) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #5355; RMG #496627 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C10H14R(316)<=>C4H7R(60)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5356; RMG #496655 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H14L(112)+C10H14R(316)<=>C8H15L(61)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5357; RMG #496725 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(108)+C10H14R(316)<=>C7H13R(62)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5358; RMG #496777 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C10H14R(316)<=>C6H11L(63)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5359; RMG #496817 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C10H14R(316)<=>C(75)+C10H13R(18283) 1.150000e+13 -0.320 0.000 + +! Reaction index: Chemkin #5360; RMG #496907 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C10H14R(316)<=>C4H7R(81)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5361; RMG #496935 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C10H14R(316)<=>[H][H](83)+C10H13R(18283) 1.191692e+10 0.568 0.000 + +! Reaction index: Chemkin #5362; RMG #496941 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C10H14R(316)<=>C5H9L(84)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5363; RMG #496981 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C10H14R(316)<=>C3H5L(86)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5364; RMG #497027 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H15(85)+C10H14R(316)<=>CC(C)CC(C)C(87)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5365; RMG #497089 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]C(94)+C10H14R(316)<=>CCC(95)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5366; RMG #497095 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C10H14R(316)<=>CCC(95)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5367; RMG #497101 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C10H14R(316)<=>C6H11R(98)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5368; RMG #497285 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C10H14R(316)<=>C6H11L(107)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5369; RMG #497297 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C10H14R(316)<=>C6H11L(107)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5370; RMG #497331 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(113)+C10H14R(316)<=>C6H10(110)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5371; RMG #497623 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C10H14R(316)<=>C6H10(116)+C10H13R(18283) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #5372; RMG #497629 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C10H14R(316)<=>C6H10(116)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5373; RMG #497709 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C10H14R(316)<=>C6H8(118)+C10H13R(18283) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #5374; RMG #497715 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C10H14R(316)<=>C6H8(118)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5375; RMG #497771 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(199)+C10H14R(316)<=>C7H13R(120)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5376; RMG #497789 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(108)+C10H14R(316)<=>C7H13R(120)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5377; RMG #497817 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C10H14R(316)<=>C6H8(125)+C10H13R(18283) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #5378; RMG #497961 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H7(156)+C10H14R(316)<=>C4H8(157)+C10H13R(18283) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #5379; RMG #498099 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C10H14R(316)<=>C5H8(173)+C10H13R(18283) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #5380; RMG #498221 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H14(179); C10H13(202), C10H13R(18283); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H13(202)+C10H14R(316)<=>C10H13R(18283)+C10H14(179) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5381; RMG #498317 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C10H14R(316)<=>C5H8(180)+C10H13R(18283) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #5382; RMG #498383 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C5H5(189)+C10H14R(316)<=>C5H6(187)+C10H13R(18283) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #5383; RMG #498873 +! Template reaction: Disproportionation +! Flux pairs: C11H15(234), C11H16(229); C10H14R(316), C10H13R(18283); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H14R(316)+C11H15(234)<=>C10H13R(18283)+C11H16(229) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5384; RMG #500315 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C10H14R(316)<=>C6H9R(285)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5385; RMG #500447 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C10H14R(316)<=>C6H8(290)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5386; RMG #500843 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C10H14R(316)<=>C6H11L(325)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5387; RMG #500883 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(199)+C10H14R(316)<=>C7H13R(330)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5388; RMG #501155 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C10H14R(316)<=>CC(C)C(29484)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5389; RMG #501573 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C10H14R(316)<=>C6H8(18175)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5390; RMG #451246 +! Template reaction: Intra_R_Add_Endocyclic +! Flux pairs: C8H10L(18195), C8H10L(30673); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing +C8H10L(18195)<=>C8H10L(30673) 1.260000e+11 0.160 9.310 + +! Reaction index: Chemkin #5391; RMG #184800 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7L(262), C11H14L(20661); C6H7(239), C11H14L(20661); +! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C5H7L(262)+C6H7(239)<=>C11H14L(20661) 2.490000e+04 2.410 8.810 + +! Reaction index: Chemkin #5392; RMG #502821 +! Template reaction: Disproportionation +! Flux pairs: C12H15(323), C12H16(269); C10H14R(316), C10H13R(18283); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H14R(316)+C12H15(323)<=>C10H13R(18283)+C12H16(269) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5393; RMG #503037 +! Template reaction: Disproportionation +! Flux pairs: C11H13(298), C11H14(276); C10H14R(316), C10H13R(18283); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H14R(316)+C11H13(298)<=>C10H13R(18283)+C11H14(276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5394; RMG #41353 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C6H9(113), C12H20L(4086); C6H11L(63), C12H20L(4086); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C6H9(113)+C6H11L(63)<=>C12H20L(4086) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #5395; RMG #144079 +! Library reaction: restart_edge +! Flux pairs: C4H6R(79), C10H13R(18282); C6H7(239), C10H13R(18282); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C4H6R(79)+C6H7(239)<=>C10H13R(18282) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #5396; RMG #147698 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C12H16(18680); C6H9(114), C12H16(18680); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H9(114)<=>C12H16(18680) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #5397; RMG #276001 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C12H15R(24502); C6H8R(288), C12H15R(24502); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H8R(288)<=>C12H15R(24502) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #5398; RMG #41347 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C6H9(113), C13H22R(4084); C7H13R(62), C13H22R(4084); +! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C6H9(113)+C7H13R(62)<=>C13H22R(4084) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #5399; RMG #41331 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C6H9(113), C13H22R(4080); C7H13R(62), C13H22R(4080); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C6H9(113)+C7H13R(62)<=>C13H22R(4080) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #5400; RMG #144076 +! Library reaction: restart_edge +! Flux pairs: C4H6R(79), C10H13R(18280); C6H7(239), C10H13R(18280); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C4H6R(79)+C6H7(239)<=>C10H13R(18280) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #5401; RMG #144075 +! Library reaction: restart_edge +! Flux pairs: C4H6R(79), C10H13R(18279); C6H7(239), C10H13R(18279); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C4H6R(79)+C6H7(239)<=>C10H13R(18279) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #5402; RMG #144454 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H8(157), C10H15(18437); C6H7(239), C10H15(18437); +! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C4H8(157)+C6H7(239)<=>C10H15(18437) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #5403; RMG #275999 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C12H15R(24501); C6H8R(288), C12H15R(24501); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H8R(288)<=>C12H15R(24501) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #5404; RMG #144534 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H6(187), C11H13(18468); C6H7(239), C11H13(18468); +! Estimated using template [Cds-CsH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-(CdC)HH] +! Euclidian distance = 1.4142135623730951 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C5H6(187)+C6H7(239)<=>C11H13(18468) 2.380000e+04 2.410 10.290 + +! Reaction index: Chemkin #5405; RMG #147691 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C12H16(18679); C6H9(114), C12H16(18679); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C6H7(239)+C6H9(114)<=>C12H16(18679) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #5406; RMG #144352 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C6H7(239), C12H15(18389); C6H8(118), C12H15(18389); +! Estimated using template [Cds-CsH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-(CdC)HH] +! Euclidian distance = 1.4142135623730951 +! family: R_Addition_MultipleBond +C6H7(239)+C6H8(118)<=>C12H15(18389) 1.190000e+04 2.410 10.290 + +! Reaction index: Chemkin #5407; RMG #167669 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(65)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 7.382 + +! Reaction index: Chemkin #5408; RMG #167677 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(69)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 7.382 + +! Reaction index: Chemkin #5409; RMG #167685 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(66)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #5410; RMG #167693 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(68)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #5411; RMG #167701 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(72)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 7.382 + +! Reaction index: Chemkin #5412; RMG #167709 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(73)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #5413; RMG #167717 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(71)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #5414; RMG #167725 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(67)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #5415; RMG #167733 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(70)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #5416; RMG #167805 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C10H20R(64), RC10(2); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20R(64)+C12H15(18389)<=>RC10(2)+C12H14(257) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #5417; RMG #167877 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C10H20L(76), LC10(3); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20L(76)+C12H15(18389)<=>LC10(3)+C12H14(257) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #5418; RMG #167885 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C12H15(18389)<=>C3H5R(12)+C12H14(257) 1.225850e+27 -4.376 10.403 + +! Reaction index: Chemkin #5419; RMG #167937 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C12H15(18389)<=>CC(C)L(13)+C12H14(257) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #5420; RMG #167961 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C12H15(18389)<=>CCCC(C)L(16)+C12H14(257) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #5421; RMG #167993 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C12H15(18389)<=>C6H11R(17)+C12H14(257) 1.225850e+27 -4.376 10.568 + +! Reaction index: Chemkin #5422; RMG #168063 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C12H15(18389)<=>C3H6(18)+C12H14(257) 2.451710e+27 -4.376 9.585 + +! Reaction index: Chemkin #5423; RMG #168159 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C12H15(18389)<=>CC(C)CR(20)+C12H14(257) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #5424; RMG #168251 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C12H15(18389)<=>CR(22)+C12H14(257) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #5425; RMG #168299 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H14R(9)+C12H15(18389)<=>CC(C)CC(C)CR(23)+C12H14(257) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #5426; RMG #168315 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C12H15(18389)<=>C5H9L(24)+C12H14(257) 1.225850e+27 -4.376 10.568 + +! Reaction index: Chemkin #5427; RMG #168391 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H12L(11)+C12H15(18389)<=>CC(C)CC(C)L(25)+C12H14(257) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #5428; RMG #168415 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C12H15(18389)<=>CCL(26)+C12H14(257) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #5429; RMG #168423 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C12H15(18389)<=>CCCR(27)+C12H14(257) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #5430; RMG #168495 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C12H15(18389)<=>CCCC(C)CR(32)+C12H14(257) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #5431; RMG #168535 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C12H15(18389)<=>CC(L)CC(C)L(35)+C12H14(257) 1.225850e+27 -4.376 7.382 + +! Reaction index: Chemkin #5432; RMG #168751 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C12H15(18389)<=>C8H17L(49)+C12H14(257) 1.225850e+27 -4.376 6.922 + +! Reaction index: Chemkin #5433; RMG #168831 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C12H15(18389)<=>C6H11R(56)+C12H14(257) 1.225850e+27 -4.376 10.966 + +! Reaction index: Chemkin #5434; RMG #168855 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C12H15(18389)<=>C6H11R(56)+C12H14(257) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #5435; RMG #168899 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C12H15(18389)<=>C5H9L(57)+C12H14(257) 1.225850e+27 -4.376 10.966 + +! Reaction index: Chemkin #5436; RMG #168915 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C12H15(18389)<=>C5H9L(57)+C12H14(257) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #5437; RMG #168959 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C12H15(18389)<=>C3H5R(58)+C12H14(257) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #5438; RMG #169003 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C12H15(18389)<=>C3H5L(59)+C12H14(257) 2.451710e+27 -4.376 9.551 + +! Reaction index: Chemkin #5439; RMG #169039 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C12H15(18389)<=>C4H7R(60)+C12H14(257) 2.451710e+27 -4.376 9.551 + +! Reaction index: Chemkin #5440; RMG #169047 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C12H15(18389)<=>C4H7R(60)+C12H14(257) 1.225850e+27 -4.376 10.403 + +! Reaction index: Chemkin #5441; RMG #169083 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H14L(112)+C12H15(18389)<=>C8H15L(61)+C12H14(257) 1.225850e+27 -4.376 10.966 + +! Reaction index: Chemkin #5442; RMG #169175 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C12H15(18389)<=>C7H13R(62)+C12H14(257) 1.225850e+27 -4.376 10.568 + +! Reaction index: Chemkin #5443; RMG #169243 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C12H15(18389)<=>C6H11L(63)+C12H14(257) 1.225850e+27 -4.376 10.568 + +! Reaction index: Chemkin #5444; RMG #169295 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C12H15(18389)<=>C(75)+C12H14(257) 1.225850e+27 -4.376 5.492 + +! Reaction index: Chemkin #5445; RMG #169308 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C12H15(18389)<=>C4H7R(81)+C12H14(257) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #5446; RMG #169344 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C12H15(18389)<=>[H][H](83)+C12H14(257) 1.225850e+27 -4.376 5.669 + +! Reaction index: Chemkin #5447; RMG #169354 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C12H15(18389)<=>C5H9L(84)+C12H14(257) 1.225850e+27 -4.376 10.553 + +! Reaction index: Chemkin #5448; RMG #169406 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C12H15(18389)<=>C3H5L(86)+C12H14(257) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #5449; RMG #169466 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H15(85)+C12H15(18389)<=>CC(C)CC(C)C(87)+C12H14(257) 1.225850e+27 -4.376 6.326 + +! Reaction index: Chemkin #5450; RMG #169546 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C12H15(18389)<=>CCC(95)+C12H14(257) 1.225850e+27 -4.376 6.898 + +! Reaction index: Chemkin #5451; RMG #169554 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C12H15(18389)<=>CCC(95)+C12H14(257) 1.225850e+27 -4.376 6.222 + +! Reaction index: Chemkin #5452; RMG #169562 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C12H15(18389)<=>C6H11R(98)+C12H14(257) 1.225850e+27 -4.376 10.553 + +! Reaction index: Chemkin #5453; RMG #169782 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C12H15(18389)<=>C6H11L(107)+C12H14(257) 1.225850e+27 -4.376 10.966 + +! Reaction index: Chemkin #5454; RMG #169798 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C12H15(18389)<=>C6H11L(107)+C12H14(257) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #5455; RMG #169842 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C12H15(18389)<=>C6H10(110)+C12H14(257) 1.225850e+27 -4.376 12.156 + +! Reaction index: Chemkin #5456; RMG #169922 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C12H15(18389)<=>C6H10(116)+C12H14(257) 2.451710e+27 -4.376 11.307 + +! Reaction index: Chemkin #5457; RMG #169930 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C12H15(18389)<=>C6H10(116)+C12H14(257) 1.225850e+27 -4.376 11.307 + +! Reaction index: Chemkin #5458; RMG #169974 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C12H15(18389)<=>C6H8(118)+C12H14(257) 2.451710e+27 -4.376 10.529 + +! Reaction index: Chemkin #5459; RMG #169982 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C12H15(18389)<=>C6H8(118)+C12H14(257) 1.225850e+27 -4.376 12.042 + +! Reaction index: Chemkin #5460; RMG #170054 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C12H15(18389)<=>C7H13R(120)+C12H14(257) 1.225850e+27 -4.376 10.966 + +! Reaction index: Chemkin #5461; RMG #170078 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C12H15(18389)<=>C7H13R(120)+C12H14(257) 1.225850e+27 -4.376 9.551 + +! Reaction index: Chemkin #5462; RMG #170114 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C12H15(18389)<=>C6H8(125)+C12H14(257) 2.451710e+27 -4.376 10.634 + +! Reaction index: Chemkin #5463; RMG #170194 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C12H15(18389)<=>C4H8(157)+C12H14(257) 2.451710e+27 -4.376 9.173 + +! Reaction index: Chemkin #5464; RMG #170318 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C12H15(18389)<=>C5H8(173)+C12H14(257) 2.451710e+27 -4.376 12.042 + +! Reaction index: Chemkin #5465; RMG #170406 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C12H15(18389)<=>C5H8(180)+C12H14(257) 2.451710e+27 -4.376 11.307 + +! Reaction index: Chemkin #5466; RMG #170432 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C12H15(18389)<=>C5H6(187)+C12H14(257) 6.129270e+27 -4.376 10.507 + +! Reaction index: Chemkin #5467; RMG #176204 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C10H13(202), C10H14(179); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H13(202)+C12H15(18389)<=>C10H14(179)+C12H14(257) 1.225850e+27 -4.376 11.386 + +! Reaction index: Chemkin #5468; RMG #178959 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C11H15(234), C11H16(229); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H15(234)+C12H15(18389)<=>C11H16(229)+C12H14(257) 1.225850e+27 -4.376 11.307 + +! Reaction index: Chemkin #5469; RMG #269379 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C12H15(18389)<=>C6H9R(285)+C12H14(257) 1.225850e+27 -4.376 12.042 + +! Reaction index: Chemkin #5470; RMG #280797 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C12H15(18389)<=>C6H8(290)+C12H14(257) 1.225850e+27 -4.376 13.090 + +! Reaction index: Chemkin #5471; RMG #349227 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C12H15(18389)<=>C6H11L(325)+C12H14(257) 1.225850e+27 -4.376 11.018 + +! Reaction index: Chemkin #5472; RMG #372018 +! Library reaction: restart_edge +! Flux pairs: C12H15(18389), C12H14(257); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C12H15(18389)<=>C7H13R(330)+C12H14(257) 1.225850e+27 -4.376 11.018 + +! Reaction index: Chemkin #5473; RMG #409311 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18389), C12H14(257); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C12H15(18389)<=>CC(C)C(29484)+C12H14(257) 1.225854e+27 -4.376 6.154 + +! Reaction index: Chemkin #5474; RMG #467618 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18389), C12H14(257); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C12H15(18389)<=>C6H8(18175)+C12H14(257) 1.225854e+27 -4.376 14.581 + +! Reaction index: Chemkin #5475; RMG #560490 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C12H14(257), C12H15(18389); H(82), C12H15(18389); +! From training reaction 2545 used for Cds-HH_Cds-CdCs;HJ +! Exact match found for rate rule [Cds-HH_Cds-CdCs;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C12H14(257)<=>C12H15(18389) 2.580000e+08 1.640 -0.720 + +! Reaction index: Chemkin #5476; RMG #82738 +! Library reaction: restart_edge +! Flux pairs: C5H7(174), C11H16(11281); C6H9(113), C11H16(11281); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(174)+C6H9(113)<=>C11H16(11281) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #5477; RMG #89008 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C11H17(181); C11H16(11281), C11H17(181); +! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C11H16(11281)<=>C11H17(181) 2.310000e+08 1.640 -0.470 + +! Reaction index: Chemkin #5478; RMG #143424 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C11H17(238); C11H16(11281), C11H17(238); +! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C11H16(11281)<=>C11H17(238) 2.310000e+08 1.640 -0.470 + +! Reaction index: Chemkin #5479; RMG #565947 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(65)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.429 + +! Reaction index: Chemkin #5480; RMG #565948 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(65)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.578 + +! Reaction index: Chemkin #5481; RMG #565955 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(69)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.429 + +! Reaction index: Chemkin #5482; RMG #565956 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(69)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.578 + +! Reaction index: Chemkin #5483; RMG #565963 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(66)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5484; RMG #565964 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(66)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5485; RMG #565971 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(68)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5486; RMG #565972 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(68)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5487; RMG #565979 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(72)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.429 + +! Reaction index: Chemkin #5488; RMG #565980 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(72)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.578 + +! Reaction index: Chemkin #5489; RMG #565987 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(73)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 5.462 + +! Reaction index: Chemkin #5490; RMG #565988 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(73)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #5491; RMG #565995 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(71)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 5.462 + +! Reaction index: Chemkin #5492; RMG #565996 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(71)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #5493; RMG #566003 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(67)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5494; RMG #566004 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(67)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5495; RMG #566011 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(70)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 5.462 + +! Reaction index: Chemkin #5496; RMG #566012 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(70)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #5497; RMG #566083 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C10H20R(64), RC10(2); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20R(64)+C11H17(238)<=>RC10(2)+C11H16(11281) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5498; RMG #566084 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C10H20R(64), RC10(2); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20R(64)+C11H17(181)<=>RC10(2)+C11H16(11281) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5499; RMG #566155 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C10H20L(76), LC10(3); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20L(76)+C11H17(238)<=>LC10(3)+C11H16(11281) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5500; RMG #566156 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C10H20L(76), LC10(3); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20L(76)+C11H17(181)<=>LC10(3)+C11H16(11281) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5501; RMG #566163 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C11H17(238)<=>C3H5R(12)+C11H16(11281) 1.225854e+27 -4.376 9.219 + +! Reaction index: Chemkin #5502; RMG #566164 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C11H17(181)<=>C3H5R(12)+C11H16(11281) 1.225854e+27 -4.376 9.405 + +! Reaction index: Chemkin #5503; RMG #566215 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C11H17(238)<=>CC(C)L(13)+C11H16(11281) 1.225854e+27 -4.376 5.462 + +! Reaction index: Chemkin #5504; RMG #566216 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C11H17(181)<=>CC(C)L(13)+C11H16(11281) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #5505; RMG #566239 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C11H17(238)<=>CCCC(C)L(16)+C11H16(11281) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5506; RMG #566240 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C11H17(181)<=>CCCC(C)L(16)+C11H16(11281) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5507; RMG #566271 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C11H17(238)<=>C6H11R(17)+C11H16(11281) 1.225854e+27 -4.376 9.371 + +! Reaction index: Chemkin #5508; RMG #566272 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C11H17(181)<=>C6H11R(17)+C11H16(11281) 1.225854e+27 -4.376 9.560 + +! Reaction index: Chemkin #5509; RMG #566331 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C11H17(238)<=>C3H6(18)+C11H16(11281) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #5510; RMG #566332 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C11H17(181)<=>C3H6(18)+C11H16(11281) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #5511; RMG #566427 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C11H17(238)<=>CC(C)CR(20)+C11H16(11281) 1.225854e+27 -4.376 5.462 + +! Reaction index: Chemkin #5512; RMG #566428 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C11H17(181)<=>CC(C)CR(20)+C11H16(11281) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #5513; RMG #566519 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C11H17(238)<=>CR(22)+C11H16(11281) 1.225854e+27 -4.376 5.462 + +! Reaction index: Chemkin #5514; RMG #566520 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C11H17(181)<=>CR(22)+C11H16(11281) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #5515; RMG #566567 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H14R(9)+C11H17(238)<=>CC(C)CC(C)CR(23)+C11H16(11281) 1.225854e+27 -4.376 5.462 + +! Reaction index: Chemkin #5516; RMG #566568 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H14R(9)+C11H17(181)<=>CC(C)CC(C)CR(23)+C11H16(11281) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #5517; RMG #566583 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C11H17(238)<=>C5H9L(24)+C11H16(11281) 1.225854e+27 -4.376 9.371 + +! Reaction index: Chemkin #5518; RMG #566584 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C11H17(181)<=>C5H9L(24)+C11H16(11281) 1.225854e+27 -4.376 9.560 + +! Reaction index: Chemkin #5519; RMG #566659 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H12L(11)+C11H17(238)<=>CC(C)CC(C)L(25)+C11H16(11281) 1.225854e+27 -4.376 5.462 + +! Reaction index: Chemkin #5520; RMG #566660 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H12L(11)+C11H17(181)<=>CC(C)CC(C)L(25)+C11H16(11281) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #5521; RMG #566683 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C11H17(238)<=>CCL(26)+C11H16(11281) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5522; RMG #566684 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C11H17(181)<=>CCL(26)+C11H16(11281) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5523; RMG #566691 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C11H17(238)<=>CCCR(27)+C11H16(11281) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5524; RMG #566692 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C11H17(181)<=>CCCR(27)+C11H16(11281) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5525; RMG #566763 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C11H17(238)<=>CCCC(C)CR(32)+C11H16(11281) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5526; RMG #566764 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C11H17(181)<=>CCCC(C)CR(32)+C11H16(11281) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5527; RMG #566883 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C11H17(238)<=>CC(L)CC(C)L(35)+C11H16(11281) 1.225854e+27 -4.376 6.429 + +! Reaction index: Chemkin #5528; RMG #566884 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C11H17(181)<=>CC(L)CC(C)L(35)+C11H16(11281) 1.225854e+27 -4.376 6.578 + +! Reaction index: Chemkin #5529; RMG #567155 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C11H17(238)<=>C8H17L(49)+C11H16(11281) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5530; RMG #567156 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C11H17(181)<=>C8H17L(49)+C11H16(11281) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #5531; RMG #567235 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C11H17(238)<=>C6H11R(56)+C11H16(11281) 1.225854e+27 -4.376 9.741 + +! Reaction index: Chemkin #5532; RMG #567236 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C11H17(181)<=>C6H11R(56)+C11H16(11281) 1.225854e+27 -4.376 9.934 + +! Reaction index: Chemkin #5533; RMG #567259 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C11H17(238)<=>C6H11R(56)+C11H16(11281) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #5534; RMG #567260 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C11H17(181)<=>C6H11R(56)+C11H16(11281) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #5535; RMG #567303 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C11H17(238)<=>C5H9L(57)+C11H16(11281) 1.225854e+27 -4.376 9.741 + +! Reaction index: Chemkin #5536; RMG #567304 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C11H17(181)<=>C5H9L(57)+C11H16(11281) 1.225854e+27 -4.376 9.934 + +! Reaction index: Chemkin #5537; RMG #567319 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C11H17(238)<=>C5H9L(57)+C11H16(11281) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #5538; RMG #567320 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C11H17(181)<=>C5H9L(57)+C11H16(11281) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #5539; RMG #567363 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C11H17(238)<=>C3H5R(58)+C11H16(11281) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #5540; RMG #567364 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C11H17(181)<=>C3H5R(58)+C11H16(11281) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #5541; RMG #567407 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C11H17(238)<=>C3H5L(59)+C11H16(11281) 2.451708e+27 -4.376 8.429 + +! Reaction index: Chemkin #5542; RMG #567408 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C11H17(181)<=>C3H5L(59)+C11H16(11281) 2.451708e+27 -4.376 8.605 + +! Reaction index: Chemkin #5543; RMG #567443 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C11H17(238)<=>C4H7R(60)+C11H16(11281) 2.451708e+27 -4.376 8.429 + +! Reaction index: Chemkin #5544; RMG #567444 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C11H17(181)<=>C4H7R(60)+C11H16(11281) 2.451708e+27 -4.376 8.605 + +! Reaction index: Chemkin #5545; RMG #567451 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C11H17(238)<=>C4H7R(60)+C11H16(11281) 1.225854e+27 -4.376 9.219 + +! Reaction index: Chemkin #5546; RMG #567452 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C11H17(181)<=>C4H7R(60)+C11H16(11281) 1.225854e+27 -4.376 9.405 + +! Reaction index: Chemkin #5547; RMG #567487 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H14L(112)+C11H17(238)<=>C8H15L(61)+C11H16(11281) 1.225854e+27 -4.376 9.741 + +! Reaction index: Chemkin #5548; RMG #567488 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H14L(112)+C11H17(181)<=>C8H15L(61)+C11H16(11281) 1.225854e+27 -4.376 9.934 + +! Reaction index: Chemkin #5549; RMG #567579 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C11H17(238)<=>C7H13R(62)+C11H16(11281) 1.225854e+27 -4.376 9.371 + +! Reaction index: Chemkin #5550; RMG #567580 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C11H17(181)<=>C7H13R(62)+C11H16(11281) 1.225854e+27 -4.376 9.560 + +! Reaction index: Chemkin #5551; RMG #567647 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C11H17(238)<=>C6H11L(63)+C11H16(11281) 1.225854e+27 -4.376 9.371 + +! Reaction index: Chemkin #5552; RMG #567648 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C11H17(181)<=>C6H11L(63)+C11H16(11281) 1.225854e+27 -4.376 9.560 + +! Reaction index: Chemkin #5553; RMG #567699 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C11H17(238)<=>C(75)+C11H16(11281) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5554; RMG #567700 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C11H17(181)<=>C(75)+C11H16(11281) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5555; RMG #567707 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C11H17(238)<=>C4H7R(81)+C11H16(11281) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #5556; RMG #567708 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C11H17(181)<=>C4H7R(81)+C11H16(11281) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #5557; RMG #567743 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_N-4R->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C11H17(238)<=>[H][H](83)+C11H16(11281) 2.169000e+13 0.000 3.928 + +! Reaction index: Chemkin #5558; RMG #567744 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_N-4R->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C11H17(181)<=>[H][H](83)+C11H16(11281) 2.169000e+13 0.000 4.043 + +! Reaction index: Chemkin #5559; RMG #567751 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C11H17(238)<=>C5H9L(84)+C11H16(11281) 1.225854e+27 -4.376 9.358 + +! Reaction index: Chemkin #5560; RMG #567752 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C11H17(181)<=>C5H9L(84)+C11H16(11281) 1.225854e+27 -4.376 9.545 + +! Reaction index: Chemkin #5561; RMG #567803 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C11H17(238)<=>C3H5L(86)+C11H16(11281) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #5562; RMG #567804 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C11H17(181)<=>C3H5L(86)+C11H16(11281) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #5563; RMG #567863 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C7H15(85)+C11H17(238)<=>CC(C)CC(C)C(87)+C11H16(11281) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5564; RMG #567864 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C7H15(85)+C11H17(181)<=>CC(C)CC(C)C(87)+C11H16(11281) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5565; RMG #567943 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C11H17(238)<=>CCC(95)+C11H16(11281) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5566; RMG #567944 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C11H17(181)<=>CCC(95)+C11H16(11281) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5567; RMG #567951 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C11H17(238)<=>CCC(95)+C11H16(11281) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5568; RMG #567952 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C11H17(181)<=>CCC(95)+C11H16(11281) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5569; RMG #567959 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C11H17(238)<=>C6H11R(98)+C11H16(11281) 1.225854e+27 -4.376 9.358 + +! Reaction index: Chemkin #5570; RMG #567960 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C11H17(181)<=>C6H11R(98)+C11H16(11281) 1.225854e+27 -4.376 9.545 + +! Reaction index: Chemkin #5571; RMG #568179 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C11H17(238)<=>C6H11L(107)+C11H16(11281) 1.225854e+27 -4.376 9.741 + +! Reaction index: Chemkin #5572; RMG #568180 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C11H17(181)<=>C6H11L(107)+C11H16(11281) 1.225854e+27 -4.376 9.934 + +! Reaction index: Chemkin #5573; RMG #568195 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C11H17(238)<=>C6H11L(107)+C11H16(11281) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #5574; RMG #568196 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C11H17(181)<=>C6H11L(107)+C11H16(11281) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #5575; RMG #568239 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C11H17(238)<=>C6H10(110)+C11H16(11281) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5576; RMG #568240 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C11H17(181)<=>C6H10(110)+C11H16(11281) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5577; RMG #568407 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C11H17(238)<=>C6H10(116)+C11H16(11281) 2.451708e+27 -4.376 10.059 + +! Reaction index: Chemkin #5578; RMG #568408 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C11H17(181)<=>C6H10(116)+C11H16(11281) 2.451708e+27 -4.376 10.255 + +! Reaction index: Chemkin #5579; RMG #568415 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C11H17(238)<=>C6H10(116)+C11H16(11281) 1.225854e+27 -4.376 10.059 + +! Reaction index: Chemkin #5580; RMG #568416 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C11H17(181)<=>C6H10(116)+C11H16(11281) 1.225854e+27 -4.376 10.255 + +! Reaction index: Chemkin #5581; RMG #568459 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C11H17(238)<=>C6H8(118)+C11H16(11281) 2.451708e+27 -4.376 9.335 + +! Reaction index: Chemkin #5582; RMG #568460 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C11H17(181)<=>C6H8(118)+C11H16(11281) 2.451708e+27 -4.376 9.523 + +! Reaction index: Chemkin #5583; RMG #568467 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H17(238)<=>C6H8(118)+C11H16(11281) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5584; RMG #568468 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H17(181)<=>C6H8(118)+C11H16(11281) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5585; RMG #568539 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C11H17(238)<=>C7H13R(120)+C11H16(11281) 1.225854e+27 -4.376 9.741 + +! Reaction index: Chemkin #5586; RMG #568540 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C11H17(181)<=>C7H13R(120)+C11H16(11281) 1.225854e+27 -4.376 9.934 + +! Reaction index: Chemkin #5587; RMG #568563 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C11H17(238)<=>C7H13R(120)+C11H16(11281) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #5588; RMG #568564 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C11H17(181)<=>C7H13R(120)+C11H16(11281) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #5589; RMG #568599 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C11H17(238)<=>C6H8(125)+C11H16(11281) 2.451708e+27 -4.376 9.433 + +! Reaction index: Chemkin #5590; RMG #568600 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C11H17(181)<=>C6H8(125)+C11H16(11281) 2.451708e+27 -4.376 9.622 + +! Reaction index: Chemkin #5591; RMG #568679 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C11H17(238)<=>C4H8(157)+C11H16(11281) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #5592; RMG #568680 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C11H17(181)<=>C4H8(157)+C11H16(11281) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #5593; RMG #568803 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C11H17(238)<=>C5H8(173)+C11H16(11281) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #5594; RMG #568804 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C11H17(181)<=>C5H8(173)+C11H16(11281) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #5595; RMG #568891 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C11H17(238)<=>C5H8(180)+C11H16(11281) 2.451708e+27 -4.376 10.059 + +! Reaction index: Chemkin #5596; RMG #568892 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C11H17(181)<=>C5H8(180)+C11H16(11281) 2.451708e+27 -4.376 10.255 + +! Reaction index: Chemkin #5597; RMG #568917 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C11H17(238)<=>C5H6(187)+C11H16(11281) 6.129270e+27 -4.376 9.315 + +! Reaction index: Chemkin #5598; RMG #568918 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C11H17(181)<=>C5H6(187)+C11H16(11281) 6.129270e+27 -4.376 9.503 + +! Reaction index: Chemkin #5599; RMG #569249 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C11H17(238)<=>C6H9R(285)+C11H16(11281) 1.225854e+27 -4.376 10.743 + +! Reaction index: Chemkin #5600; RMG #569250 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C11H17(181)<=>C6H9R(285)+C11H16(11281) 1.225854e+27 -4.376 10.947 + +! Reaction index: Chemkin #5601; RMG #569329 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H17(238)<=>C6H8(290)+C11H16(11281) 1.225854e+27 -4.376 11.722 + +! Reaction index: Chemkin #5602; RMG #569330 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H17(181)<=>C6H8(290)+C11H16(11281) 1.225854e+27 -4.376 11.938 + +! Reaction index: Chemkin #5603; RMG #569401 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C11H17(238)<=>C6H11L(325)+C11H16(11281) 1.225854e+27 -4.376 9.790 + +! Reaction index: Chemkin #5604; RMG #569402 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C11H17(181)<=>C6H11L(325)+C11H16(11281) 1.225854e+27 -4.376 9.983 + +! Reaction index: Chemkin #5605; RMG #569453 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C11H17(238)<=>C7H13R(330)+C11H16(11281) 1.225854e+27 -4.376 9.790 + +! Reaction index: Chemkin #5606; RMG #569454 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C11H17(181)<=>C7H13R(330)+C11H16(11281) 1.225854e+27 -4.376 9.983 + +! Reaction index: Chemkin #5607; RMG #569521 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C11H17(238)<=>CC(C)C(29484)+C11H16(11281) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5608; RMG #569522 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C11H17(181)<=>CC(C)C(29484)+C11H16(11281) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5609; RMG #569782 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H17(238)<=>C6H8(18175)+C11H16(11281) 1.225854e+27 -4.376 13.118 + +! Reaction index: Chemkin #5610; RMG #569783 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H17(181)<=>C6H8(18175)+C11H16(11281) 1.225854e+27 -4.376 13.349 + +! Reaction index: Chemkin #5611; RMG #148272 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C12H16(18726); C6H9(161), C12H16(18726); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H9(161)<=>C12H16(18726) 3.535860e+16 -1.003 0.000 + +! Reaction index: Chemkin #5612; RMG #574365 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C10H13(202), C10H14(179); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H13(202)+C11H17(238)<=>C10H14(179)+C11H16(11281) 1.225854e+27 -4.376 10.132 + +! Reaction index: Chemkin #5613; RMG #574366 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C10H13(202), C10H14(179); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H13(202)+C11H17(181)<=>C10H14(179)+C11H16(11281) 1.225854e+27 -4.376 10.329 + +! Reaction index: Chemkin #5614; RMG #575425 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C11H15(234), C11H16(229); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H15(234)+C11H17(238)<=>C11H16(229)+C11H16(11281) 1.225854e+27 -4.376 10.059 + +! Reaction index: Chemkin #5615; RMG #575426 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C11H15(234), C11H16(229); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H15(234)+C11H17(181)<=>C11H16(229)+C11H16(11281) 1.225854e+27 -4.376 10.255 + +! Reaction index: Chemkin #5616; RMG #144083 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H7R(81), C10H14R(18285); C6H7(239), C10H14R(18285); +! Estimated using template [Cds-CsH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-CsH_Cds-CsCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C4H7R(81)+C6H7(239)<=>C10H14R(18285) 1.340000e+04 2.410 12.700 + +! Reaction index: Chemkin #5617; RMG #144446 +! Library reaction: restart_edge +! Flux pairs: C3H4L(147), C9H11L(18431); C6H7(239), C9H11L(18431); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 2.0 +C3H4L(147)+C6H7(239)<=>C9H11L(18431) 3.535860e+16 -1.003 0.000 + +! Reaction index: Chemkin #5618; RMG #282911 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C9H12L(293); C9H11L(18431), C9H12L(293); +! From training reaction 2927 used for Cds-HH_Cds-CsCs;HJ +! Exact match found for rate rule [Cds-HH_Cds-CsCs;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C9H11L(18431)<=>C9H12L(293) 1.691000e+10 1.168 2.996 + +! Reaction index: Chemkin #5619; RMG #577442 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(65), RC10L(1); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C9H17LR(65)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 4.481 + +! Reaction index: Chemkin #5620; RMG #577448 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(69), RC10L(1); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C9H17LR(69)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 4.481 + +! Reaction index: Chemkin #5621; RMG #577454 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(66), RC10L(1); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C9H17LR(66)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 4.144 + +! Reaction index: Chemkin #5622; RMG #577460 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(68), RC10L(1); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C9H17LR(68)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 4.144 + +! Reaction index: Chemkin #5623; RMG #577466 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(72), RC10L(1); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C9H17LR(72)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 4.481 + +! Reaction index: Chemkin #5624; RMG #577472 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(73), RC10L(1); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C9H17LR(73)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 3.713 + +! Reaction index: Chemkin #5625; RMG #577478 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(71), RC10L(1); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C9H17LR(71)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 3.713 + +! Reaction index: Chemkin #5626; RMG #577484 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(67), RC10L(1); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C9H17LR(67)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 4.144 + +! Reaction index: Chemkin #5627; RMG #577490 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(70), RC10L(1); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C9H17LR(70)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 3.713 + +! Reaction index: Chemkin #5628; RMG #577544 +! Template reaction: Disproportionation +! Flux pairs: C10H20R(64), RC10(2); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C10H20R(64)<=>C9H11L(18431)+RC10(2) 1.225854e+27 -4.376 4.144 + +! Reaction index: Chemkin #5629; RMG #577598 +! Template reaction: Disproportionation +! Flux pairs: C10H20L(76), LC10(3); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C10H20L(76)<=>C9H11L(18431)+LC10(3) 1.225854e+27 -4.376 4.144 + +! Reaction index: Chemkin #5630; RMG #577604 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C9H12L(293)<=>C3H5R(12)+C9H11L(18431) 1.225854e+27 -4.376 6.748 + +! Reaction index: Chemkin #5631; RMG #577642 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C9H12L(293)<=>CC(C)L(13)+C9H11L(18431) 1.225854e+27 -4.376 3.713 + +! Reaction index: Chemkin #5632; RMG #577660 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C9H12L(293)<=>CCCC(C)L(16)+C9H11L(18431) 1.225854e+27 -4.376 4.144 + +! Reaction index: Chemkin #5633; RMG #577684 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C9H12L(293)<=>C6H11R(17)+C9H11L(18431) 1.225854e+27 -4.376 6.874 + +! Reaction index: Chemkin #5634; RMG #577728 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C9H12L(293)<=>C3H6(18)+C9H11L(18431) 2.451708e+27 -4.376 6.124 + +! Reaction index: Chemkin #5635; RMG #577798 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C9H12L(293)<=>CC(C)CR(20)+C9H11L(18431) 1.225854e+27 -4.376 3.713 + +! Reaction index: Chemkin #5636; RMG #577866 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C9H12L(293)<=>CR(22)+C9H11L(18431) 1.225854e+27 -4.376 3.713 + +! Reaction index: Chemkin #5637; RMG #577902 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H14R(9)+C9H12L(293)<=>CC(C)CC(C)CR(23)+C9H11L(18431) 1.225854e+27 -4.376 3.713 + +! Reaction index: Chemkin #5638; RMG #577914 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C9H12L(293)<=>C5H9L(24)+C9H11L(18431) 1.225854e+27 -4.376 6.874 + +! Reaction index: Chemkin #5639; RMG #577970 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H12L(11)+C9H12L(293)<=>CC(C)CC(C)L(25)+C9H11L(18431) 1.225854e+27 -4.376 3.713 + +! Reaction index: Chemkin #5640; RMG #577988 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C9H12L(293)<=>CCL(26)+C9H11L(18431) 1.225854e+27 -4.376 4.144 + +! Reaction index: Chemkin #5641; RMG #577994 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C9H12L(293)<=>CCCR(27)+C9H11L(18431) 1.225854e+27 -4.376 4.144 + +! Reaction index: Chemkin #5642; RMG #578024 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C9H12L(293)<=>CCCC(C)CR(32)+C9H11L(18431) 1.225854e+27 -4.376 4.144 + +! Reaction index: Chemkin #5643; RMG #578054 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C9H12L(293)<=>CC(L)CC(C)L(35)+C9H11L(18431) 1.225854e+27 -4.376 4.481 + +! Reaction index: Chemkin #5644; RMG #578180 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C9H12L(293)<=>C8H17L(49)+C9H11L(18431) 1.225854e+27 -4.376 4.144 + +! Reaction index: Chemkin #5645; RMG #578234 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C9H12L(293)<=>C6H11R(56)+C9H11L(18431) 1.225854e+27 -4.376 7.179 + +! Reaction index: Chemkin #5646; RMG #578252 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C9H12L(293)<=>C6H11R(56)+C9H11L(18431) 1.225854e+27 -4.376 6.099 + +! Reaction index: Chemkin #5647; RMG #578284 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C9H12L(293)<=>C5H9L(57)+C9H11L(18431) 1.225854e+27 -4.376 7.179 + +! Reaction index: Chemkin #5648; RMG #578296 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C9H12L(293)<=>C5H9L(57)+C9H11L(18431) 1.225854e+27 -4.376 6.099 + +! Reaction index: Chemkin #5649; RMG #578328 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C9H12L(293)<=>C3H5R(58)+C9H11L(18431) 1.225854e+27 -4.376 6.099 + +! Reaction index: Chemkin #5650; RMG #578360 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C9H12L(293)<=>C3H5L(59)+C9H11L(18431) 2.451708e+27 -4.376 6.099 + +! Reaction index: Chemkin #5651; RMG #578386 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C9H12L(293)<=>C4H7R(60)+C9H11L(18431) 2.451708e+27 -4.376 6.099 + +! Reaction index: Chemkin #5652; RMG #578392 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C9H12L(293)<=>C4H7R(60)+C9H11L(18431) 1.225854e+27 -4.376 6.748 + +! Reaction index: Chemkin #5653; RMG #578418 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H14L(112)+C9H12L(293)<=>C8H15L(61)+C9H11L(18431) 1.225854e+27 -4.376 7.179 + +! Reaction index: Chemkin #5654; RMG #578486 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C9H12L(293)<=>C7H13R(62)+C9H11L(18431) 1.225854e+27 -4.376 6.874 + +! Reaction index: Chemkin #5655; RMG #578536 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C9H12L(293)<=>C6H11L(63)+C9H11L(18431) 1.225854e+27 -4.376 6.874 + +! Reaction index: Chemkin #5656; RMG #578574 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C9H12L(293)<=>C(75)+C9H11L(18431) 1.225854e+27 -4.376 3.120 + +! Reaction index: Chemkin #5657; RMG #578580 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C9H12L(293)<=>C4H7R(81)+C9H11L(18431) 1.225854e+27 -4.376 6.099 + +! Reaction index: Chemkin #5658; RMG #578606 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C9H12L(293)<=>[H][H](83)+C9H11L(18431) 1.225854e+27 -4.376 3.245 + +! Reaction index: Chemkin #5659; RMG #578612 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C9H12L(293)<=>C5H9L(84)+C9H11L(18431) 1.225854e+27 -4.376 6.862 + +! Reaction index: Chemkin #5660; RMG #578650 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C9H12L(293)<=>C3H5L(86)+C9H11L(18431) 1.225854e+27 -4.376 6.099 + +! Reaction index: Chemkin #5661; RMG #578694 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H15(85)+C9H12L(293)<=>CC(C)CC(C)C(87)+C9H11L(18431) 1.225854e+27 -4.376 3.713 + +! Reaction index: Chemkin #5662; RMG #578752 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C9H12L(293)<=>CCC(95)+C9H11L(18431) 1.225854e+27 -4.376 4.127 + +! Reaction index: Chemkin #5663; RMG #578758 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C9H12L(293)<=>CCC(95)+C9H11L(18431) 1.225854e+27 -4.376 3.639 + +! Reaction index: Chemkin #5664; RMG #578764 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C9H12L(293)<=>C6H11R(98)+C9H11L(18431) 1.225854e+27 -4.376 6.862 + +! Reaction index: Chemkin #5665; RMG #578924 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C9H12L(293)<=>C6H11L(107)+C9H11L(18431) 1.225854e+27 -4.376 7.179 + +! Reaction index: Chemkin #5666; RMG #578936 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C9H12L(293)<=>C6H11L(107)+C9H11L(18431) 1.225854e+27 -4.376 6.099 + +! Reaction index: Chemkin #5667; RMG #578968 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C9H12L(293)<=>C6H10(110)+C9H11L(18431) 1.225854e+27 -4.376 8.101 + +! Reaction index: Chemkin #5668; RMG #579026 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C9H12L(293)<=>C6H10(116)+C9H11L(18431) 2.451708e+27 -4.376 7.443 + +! Reaction index: Chemkin #5669; RMG #579032 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C9H12L(293)<=>C6H10(116)+C9H11L(18431) 1.225854e+27 -4.376 7.443 + +! Reaction index: Chemkin #5670; RMG #579064 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C9H12L(293)<=>C6H8(118)+C9H11L(18431) 2.451708e+27 -4.376 6.844 + +! Reaction index: Chemkin #5671; RMG #579070 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C9H12L(293)<=>C6H8(118)+C9H11L(18431) 1.225854e+27 -4.376 8.012 + +! Reaction index: Chemkin #5672; RMG #579122 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C9H12L(293)<=>C7H13R(120)+C9H11L(18431) 1.225854e+27 -4.376 7.179 + +! Reaction index: Chemkin #5673; RMG #579140 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C9H12L(293)<=>C7H13R(120)+C9H11L(18431) 1.225854e+27 -4.376 6.099 + +! Reaction index: Chemkin #5674; RMG #579166 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C9H12L(293)<=>C6H8(125)+C9H11L(18431) 2.451708e+27 -4.376 6.924 + +! Reaction index: Chemkin #5675; RMG #579224 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C9H12L(293)<=>C4H8(157)+C9H11L(18431) 2.451708e+27 -4.376 5.813 + +! Reaction index: Chemkin #5676; RMG #579282 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C9H12L(293)<=>C5H8(173)+C9H11L(18431) 2.451708e+27 -4.376 8.012 + +! Reaction index: Chemkin #5677; RMG #579346 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C9H12L(293)<=>C5H8(180)+C9H11L(18431) 2.451708e+27 -4.376 7.443 + +! Reaction index: Chemkin #5678; RMG #579488 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C9H12L(293)<=>C6H9R(285)+C9H11L(18431) 1.225854e+27 -4.376 8.012 + +! Reaction index: Chemkin #5679; RMG #579546 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C9H12L(293)<=>C6H8(290)+C9H11L(18431) 1.225854e+27 -4.376 8.832 + +! Reaction index: Chemkin #5680; RMG #579598 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C9H12L(293)<=>C6H11L(325)+C9H11L(18431) 1.225854e+27 -4.376 7.220 + +! Reaction index: Chemkin #5681; RMG #579636 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C9H12L(293)<=>C7H13R(330)+C9H11L(18431) 1.225854e+27 -4.376 7.220 + +! Reaction index: Chemkin #5682; RMG #579686 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C9H12L(293)<=>CC(C)C(29484)+C9H11L(18431) 1.225854e+27 -4.376 3.590 + +! Reaction index: Chemkin #5683; RMG #579692 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C9H12L(293)<=>C6H8(18175)+C9H11L(18431) 1.225854e+27 -4.376 10.009 + +! Reaction index: Chemkin #5684; RMG #580942 +! Template reaction: Disproportionation +! Flux pairs: C10H13(202), C10H14(179); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C10H13(202)<=>C9H11L(18431)+C10H14(179) 1.225854e+27 -4.376 7.503 + +! Reaction index: Chemkin #5685; RMG #581070 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C9H12L(293)<=>C5H6(187)+C9H11L(18431) 6.129270e+27 -4.376 6.827 + +! Reaction index: Chemkin #5686; RMG #581674 +! Template reaction: Disproportionation +! Flux pairs: C11H15(234), C11H16(229); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C11H15(234)<=>C9H11L(18431)+C11H16(229) 1.225854e+27 -4.376 7.443 + +! Reaction index: Chemkin #5687; RMG #234292 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(65)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5688; RMG #234296 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(69)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5689; RMG #234300 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(66)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5690; RMG #234304 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(68)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5691; RMG #234308 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(72)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5692; RMG #234312 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(73)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5693; RMG #234316 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(71)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5694; RMG #234320 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(67)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5695; RMG #234324 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(70)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5696; RMG #234360 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C10H20R(64), RC10(2); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H20R(64)+C12H15(22038)<=>RC10(2)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5697; RMG #234396 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C10H20L(76), LC10(3); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H20L(76)+C12H15(22038)<=>LC10(3)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5698; RMG #234400 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C12H15(22038)<=>C3H5R(12)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5699; RMG #234426 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C12H15(22038)<=>CC(C)L(13)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5700; RMG #234438 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C12H15(22038)<=>CCCC(C)L(16)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5701; RMG #234454 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C12H15(22038)<=>C6H11R(17)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5702; RMG #234484 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C12H15(22038)<=>C3H6(18)+C12H14(277) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #5703; RMG #234532 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C12H15(22038)<=>CC(C)CR(20)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5704; RMG #234578 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C12H15(22038)<=>CR(22)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5705; RMG #234602 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H14R(9)+C12H15(22038)<=>CC(C)CC(C)CR(23)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5706; RMG #234610 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C12H15(22038)<=>C5H9L(24)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5707; RMG #234648 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H12L(11)+C12H15(22038)<=>CC(C)CC(C)L(25)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5708; RMG #234660 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C12H15(22038)<=>CCL(26)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5709; RMG #234664 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C12H15(22038)<=>CCCR(27)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5710; RMG #234788 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C12H15(22038)<=>CCCC(C)CR(32)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5711; RMG #234878 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9L2(203)+C12H15(22038)<=>CC(L)CC(C)L(35)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5712; RMG #235270 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C12H15(22038)<=>C8H17L(49)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5713; RMG #235310 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C12H15(22038)<=>C6H11R(56)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5714; RMG #235322 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C12H15(22038)<=>C6H11R(56)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5715; RMG #235344 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C12H15(22038)<=>C5H9L(57)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5716; RMG #235352 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C12H15(22038)<=>C5H9L(57)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5717; RMG #235374 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C12H15(22038)<=>C3H5R(58)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5718; RMG #235396 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C12H15(22038)<=>C3H5L(59)+C12H14(277) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #5719; RMG #235414 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(224)+C12H15(22038)<=>C4H7R(60)+C12H14(277) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #5720; RMG #235418 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C12H15(22038)<=>C4H7R(60)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5721; RMG #235436 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H14L(112)+C12H15(22038)<=>C8H15L(61)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5722; RMG #235482 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(108)+C12H15(22038)<=>C7H13R(62)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5723; RMG #235516 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C12H15(22038)<=>C6H11L(63)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5724; RMG #235542 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C12H15(22038)<=>C(75)+C12H14(277) 1.150000e+13 -0.320 0.000 +DUPLICATE + +! Reaction index: Chemkin #5725; RMG #235545 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(74)+C12H15(22038)<=>C(75)+C12H14(277) 9.124700e+12 -0.160 0.000 +DUPLICATE + +! Reaction index: Chemkin #5726; RMG #235585 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C12H15(22038)<=>C4H7R(81)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5727; RMG #235603 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C12H15(22038)<=>[H][H](83)+C12H14(277) 1.191690e+10 0.568 0.000 + +! Reaction index: Chemkin #5728; RMG #235608 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C12H15(22038)<=>C5H9L(84)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5729; RMG #235634 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C12H15(22038)<=>C3H5L(86)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5730; RMG #235664 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H15(85)+C12H15(22038)<=>CC(C)CC(C)C(87)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5731; RMG #235704 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]C(94)+C12H15(22038)<=>CCC(95)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5732; RMG #235708 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C12H15(22038)<=>CCC(95)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5733; RMG #235712 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C12H15(22038)<=>C6H11R(98)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5734; RMG #235831 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C12H15(22038)<=>C6H11L(107)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5735; RMG #235839 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C12H15(22038)<=>C6H11L(107)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5736; RMG #235861 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(113)+C12H15(22038)<=>C6H10(110)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5737; RMG #236048 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C12H15(22038)<=>C6H10(116)+C12H14(277) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #5738; RMG #236052 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C12H15(22038)<=>C6H10(116)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5739; RMG #236074 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C12H15(22038)<=>C6H8(118)+C12H14(277) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #5740; RMG #236078 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C12H15(22038)<=>C6H8(118)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5741; RMG #236114 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(199)+C12H15(22038)<=>C7H13R(120)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5742; RMG #236126 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(108)+C12H15(22038)<=>C7H13R(120)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5743; RMG #236144 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C12H15(22038)<=>C6H8(125)+C12H14(277) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #5744; RMG #236228 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H7(156)+C12H15(22038)<=>C4H8(157)+C12H14(277) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #5745; RMG #236290 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C12H15(22038)<=>C5H8(173)+C12H14(277) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #5746; RMG #236352 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C12H15(22038)<=>C5H8(180)+C12H14(277) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #5747; RMG #236365 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C5H5(189)+C12H15(22038)<=>C5H6(187)+C12H14(277) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #5748; RMG #251139 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C10H13(202), C10H14(179); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H13(202)+C12H15(22038)<=>C10H14(179)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5749; RMG #256767 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C11H15(234), C11H16(229); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C11H15(234)+C12H15(22038)<=>C11H16(229)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5750; RMG #261576 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H16(269); C12H15(323), C12H14(277); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C12H15(323)+C12H15(22038)<=>C12H14(277)+C12H16(269) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5751; RMG #270241 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C12H15(22038)<=>C6H9R(285)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5752; RMG #279315 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C6H7(239), C12H15(22038); C6H8(290), C12H15(22038); +! Estimated using template [Cds-HH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C6H7(239)+C6H8(290)<=>C12H15(22038) 2.820000e+04 2.410 8.390 + +! Reaction index: Chemkin #5753; RMG #281458 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C12H15(22038)<=>C6H8(290)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5754; RMG #349807 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C12H15(22038)<=>C6H11L(325)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5755; RMG #371271 +! Library reaction: restart_edge +! Flux pairs: C12H15(22038), C12H14(277); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(199)+C12H15(22038)<=>C7H13R(330)+C12H14(277) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #5756; RMG #409728 +! Template reaction: Disproportionation +! Flux pairs: C12H15(22038), C12H14(277); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C12H15(22038)<=>CC(C)C(29484)+C12H14(277) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #5757; RMG #468261 +! Template reaction: Disproportionation +! Flux pairs: C12H15(22038), C12H14(277); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C12H15(22038)<=>C6H8(18175)+C12H14(277) 1.350000e+03 2.700 0.533 + +! Reaction index: Chemkin #5758; RMG #585051 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C12H14(277), C12H15(22038); H(82), C12H15(22038); +! From training reaction 11 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ +! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +H(82)+C12H14(277)<=>C12H15(22038) 3.300000e+09 1.480 0.900 + +! Reaction index: Chemkin #5759; RMG #586194 +! Template reaction: Disproportionation +! Flux pairs: C12H15(323), C12H16(269); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C12H15(323)<=>C9H11L(18431)+C12H16(269) 1.225854e+27 -4.376 7.503 + +! Reaction index: Chemkin #5760; RMG #586398 +! Template reaction: Disproportionation +! Flux pairs: C11H13(298), C11H14(276); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C11H13(298)<=>C9H11L(18431)+C11H14(276) 1.225854e+27 -4.376 7.503 + +! Reaction index: Chemkin #5761; RMG #144515 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H8(173), C11H15(18464); C6H7(239), C11H15(18464); +! From training reaction 278 used for Cds-HH_Cds-CdH;CsJ-CdCsH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C5H8(173)+C6H7(239)<=>C11H15(18464) 4.330000e+03 2.410 8.570 + +! Reaction index: Chemkin #5762; RMG #153206 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(65)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 6.429 + +! Reaction index: Chemkin #5763; RMG #153214 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(69)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 6.429 + +! Reaction index: Chemkin #5764; RMG #153222 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(66)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #5765; RMG #153230 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(68)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #5766; RMG #153238 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(72)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 6.429 + +! Reaction index: Chemkin #5767; RMG #153246 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(73)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #5768; RMG #153254 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(71)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #5769; RMG #153262 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(67)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #5770; RMG #153270 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(70)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #5771; RMG #153342 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C10H20R(64), RC10(2); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20R(64)+C11H15(18464)<=>RC10(2)+C11H14(246) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #5772; RMG #153414 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C10H20L(76), LC10(3); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20L(76)+C11H15(18464)<=>LC10(3)+C11H14(246) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #5773; RMG #153422 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C11H15(18464)<=>C3H5R(12)+C11H14(246) 1.225850e+27 -4.376 9.219 + +! Reaction index: Chemkin #5774; RMG #153474 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C11H15(18464)<=>CC(C)L(13)+C11H14(246) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #5775; RMG #153508 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C11H15(18464)<=>CCCC(C)L(16)+C11H14(246) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #5776; RMG #153540 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C11H15(18464)<=>C6H11R(17)+C11H14(246) 1.225850e+27 -4.376 9.371 + +! Reaction index: Chemkin #5777; RMG #153600 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C11H15(18464)<=>C3H6(18)+C11H14(246) 2.451710e+27 -4.376 8.460 + +! Reaction index: Chemkin #5778; RMG #153696 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C11H15(18464)<=>CC(C)CR(20)+C11H14(246) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #5779; RMG #153788 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C11H15(18464)<=>CR(22)+C11H14(246) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #5780; RMG #153836 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H14R(9)+C11H15(18464)<=>CC(C)CC(C)CR(23)+C11H14(246) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #5781; RMG #153852 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C11H15(18464)<=>C5H9L(24)+C11H14(246) 1.225850e+27 -4.376 9.371 + +! Reaction index: Chemkin #5782; RMG #153938 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H12L(11)+C11H15(18464)<=>CC(C)CC(C)L(25)+C11H14(246) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #5783; RMG #153962 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C11H15(18464)<=>CCL(26)+C11H14(246) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #5784; RMG #153970 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C11H15(18464)<=>CCCR(27)+C11H14(246) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #5785; RMG #154170 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C11H15(18464)<=>CCCC(C)CR(32)+C11H14(246) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #5786; RMG #154290 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C11H15(18464)<=>CC(L)CC(C)L(35)+C11H14(246) 1.225850e+27 -4.376 6.429 + +! Reaction index: Chemkin #5787; RMG #154890 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C11H15(18464)<=>C8H17L(49)+C11H14(246) 1.225850e+27 -4.376 6.007 + +! Reaction index: Chemkin #5788; RMG #154986 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C11H15(18464)<=>C6H11R(56)+C11H14(246) 1.225850e+27 -4.376 9.741 + +! Reaction index: Chemkin #5789; RMG #155010 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C11H15(18464)<=>C6H11R(56)+C11H14(246) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #5790; RMG #155054 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C11H15(18464)<=>C5H9L(57)+C11H14(246) 1.225850e+27 -4.376 9.741 + +! Reaction index: Chemkin #5791; RMG #155070 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C11H15(18464)<=>C5H9L(57)+C11H14(246) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #5792; RMG #155114 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C11H15(18464)<=>C3H5R(58)+C11H14(246) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #5793; RMG #155158 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C11H15(18464)<=>C3H5L(59)+C11H14(246) 2.451710e+27 -4.376 8.429 + +! Reaction index: Chemkin #5794; RMG #155199 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C11H15(18464)<=>C4H7R(60)+C11H14(246) 2.451710e+27 -4.376 8.429 + +! Reaction index: Chemkin #5795; RMG #155207 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C11H15(18464)<=>C4H7R(60)+C11H14(246) 1.225850e+27 -4.376 9.219 + +! Reaction index: Chemkin #5796; RMG #155263 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H14L(112)+C11H15(18464)<=>C8H15L(61)+C11H14(246) 1.225850e+27 -4.376 9.741 + +! Reaction index: Chemkin #5797; RMG #155371 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C11H15(18464)<=>C7H13R(62)+C11H14(246) 1.225850e+27 -4.376 9.371 + +! Reaction index: Chemkin #5798; RMG #155453 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C11H15(18464)<=>C6H11L(63)+C11H14(246) 1.225850e+27 -4.376 9.371 + +! Reaction index: Chemkin #5799; RMG #155505 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C11H15(18464)<=>C(75)+C11H14(246) 1.225850e+27 -4.376 4.703 + +! Reaction index: Chemkin #5800; RMG #155518 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C11H15(18464)<=>C4H7R(81)+C11H14(246) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #5801; RMG #155554 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C11H15(18464)<=>[H][H](83)+C11H14(246) 1.225850e+27 -4.376 4.864 + +! Reaction index: Chemkin #5802; RMG #155563 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C11H15(18464)<=>C5H9L(84)+C11H14(246) 1.225850e+27 -4.376 9.358 + +! Reaction index: Chemkin #5803; RMG #155615 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C11H15(18464)<=>C3H5L(86)+C11H14(246) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #5804; RMG #155675 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H15(85)+C11H15(18464)<=>CC(C)CC(C)C(87)+C11H14(246) 1.225850e+27 -4.376 5.462 + +! Reaction index: Chemkin #5805; RMG #155755 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C11H15(18464)<=>CCC(95)+C11H14(246) 1.225850e+27 -4.376 5.985 + +! Reaction index: Chemkin #5806; RMG #155763 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C11H15(18464)<=>CCC(95)+C11H14(246) 1.225850e+27 -4.376 5.367 + +! Reaction index: Chemkin #5807; RMG #155771 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C11H15(18464)<=>C6H11R(98)+C11H14(246) 1.225850e+27 -4.376 9.358 + +! Reaction index: Chemkin #5808; RMG #155991 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C11H15(18464)<=>C6H11L(107)+C11H14(246) 1.225850e+27 -4.376 9.741 + +! Reaction index: Chemkin #5809; RMG #156007 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C11H15(18464)<=>C6H11L(107)+C11H14(246) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #5810; RMG #156051 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C11H15(18464)<=>C6H10(110)+C11H14(246) 1.225850e+27 -4.376 10.849 + +! Reaction index: Chemkin #5811; RMG #156339 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C11H15(18464)<=>C6H10(116)+C11H14(246) 2.451710e+27 -4.376 10.059 + +! Reaction index: Chemkin #5812; RMG #156347 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C11H15(18464)<=>C6H10(116)+C11H14(246) 1.225850e+27 -4.376 10.059 + +! Reaction index: Chemkin #5813; RMG #156451 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C11H15(18464)<=>C6H8(118)+C11H14(246) 2.451710e+27 -4.376 9.335 + +! Reaction index: Chemkin #5814; RMG #156459 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H15(18464)<=>C6H8(118)+C11H14(246) 1.225850e+27 -4.376 10.743 + +! Reaction index: Chemkin #5815; RMG #156531 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C11H15(18464)<=>C7H13R(120)+C11H14(246) 1.225850e+27 -4.376 9.741 + +! Reaction index: Chemkin #5816; RMG #156555 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C11H15(18464)<=>C7H13R(120)+C11H14(246) 1.225850e+27 -4.376 8.429 + +! Reaction index: Chemkin #5817; RMG #156591 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C11H15(18464)<=>C6H8(125)+C11H14(246) 2.451710e+27 -4.376 9.433 + +! Reaction index: Chemkin #5818; RMG #156671 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C11H15(18464)<=>C4H8(157)+C11H14(246) 2.451710e+27 -4.376 8.079 + +! Reaction index: Chemkin #5819; RMG #156795 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C11H15(18464)<=>C5H8(173)+C11H14(246) 2.451710e+27 -4.376 10.743 + +! Reaction index: Chemkin #5820; RMG #156883 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C11H15(18464)<=>C5H8(180)+C11H14(246) 2.451710e+27 -4.376 10.059 + +! Reaction index: Chemkin #5821; RMG #156909 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C11H15(18464)<=>C5H6(187)+C11H14(246) 6.129270e+27 -4.376 9.315 + +! Reaction index: Chemkin #5822; RMG #167443 +! Library reaction: restart_edge +! Flux pairs: C11H15(234), C11H16(229); C11H15(18464), C11H14(246); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H15(18464)+C11H15(234)<=>C11H14(246)+C11H16(229) 1.225850e+27 -4.376 10.059 + +! Reaction index: Chemkin #5823; RMG #176064 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C10H13(202), C10H14(179); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H13(202)+C11H15(18464)<=>C10H14(179)+C11H14(246) 1.225850e+27 -4.376 10.132 + +! Reaction index: Chemkin #5824; RMG #269189 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C11H15(18464)<=>C6H9R(285)+C11H14(246) 1.225850e+27 -4.376 10.743 + +! Reaction index: Chemkin #5825; RMG #280597 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H15(18464)<=>C6H8(290)+C11H14(246) 1.225850e+27 -4.376 11.722 + +! Reaction index: Chemkin #5826; RMG #349071 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C11H15(18464)<=>C6H11L(325)+C11H14(246) 1.225850e+27 -4.376 9.790 + +! Reaction index: Chemkin #5827; RMG #371868 +! Library reaction: restart_edge +! Flux pairs: C11H15(18464), C11H14(246); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C11H15(18464)<=>C7H13R(330)+C11H14(246) 1.225850e+27 -4.376 9.790 + +! Reaction index: Chemkin #5828; RMG #409248 +! Template reaction: Disproportionation +! Flux pairs: C11H15(18464), C11H14(246); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C11H15(18464)<=>CC(C)C(29484)+C11H14(246) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5829; RMG #467437 +! Template reaction: Disproportionation +! Flux pairs: C11H15(18464), C11H14(246); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H15(18464)<=>C6H8(18175)+C11H14(246) 1.225854e+27 -4.376 13.118 + +! Reaction index: Chemkin #5830; RMG #587160 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C11H14(246), C11H15(18464); H(82), C11H15(18464); +! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C11H14(246)<=>C11H15(18464) 2.310000e+08 1.640 -0.470 + +! Reaction index: Chemkin #5831; RMG #144445 +! Library reaction: restart_edge +! Flux pairs: C3H4L(147), C9H11L(18430); C6H7(239), C9H11L(18430); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 2.0 +C3H4L(147)+C6H7(239)<=>C9H11L(18430) 3.535860e+16 -1.003 0.000 + +! Reaction index: Chemkin #5832; RMG #577425 +! Template reaction: Intra_R_Add_Endocyclic +! Flux pairs: C10H14R(18285), C10H14R(33566); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R_Ext-8R!H-R_Sp-9R!H-8R!H +C10H14R(18285)<=>C10H14R(33566) 9.450000e+10 0.290 6.349 + +! Reaction index: Chemkin #5833; RMG #144392 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C6H7(239), C12H15(18406); C6H8(125), C12H15(18406); +! Estimated using template [Cds-CsH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-(CdC)HH] +! Euclidian distance = 1.4142135623730951 +! family: R_Addition_MultipleBond +C6H7(239)+C6H8(125)<=>C12H15(18406) 1.190000e+04 2.410 10.290 + +! Reaction index: Chemkin #5834; RMG #506857 +! Template reaction: R_Recombination +! Flux pairs: C12H15(18406), C12H16(18680); H(82), C12H16(18680); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO +H(82)+C12H15(18406)<=>C12H16(18680) 3.680110e+13 -0.486 0.000 + +! Reaction index: Chemkin #5835; RMG #507058 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C12H15(18406)<=>C3H5R(12)+C12H16(18680) 1.225854e+27 -4.376 7.689 + +! Reaction index: Chemkin #5836; RMG #507156 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C12H15(18406)<=>C6H11R(17)+C12H16(18680) 1.225854e+27 -4.376 7.493 + +! Reaction index: Chemkin #5837; RMG #507184 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C12H15(18406)<=>C3H6(18)+C12H16(18680) 2.105300e+14 -0.550 0.172 + +! Reaction index: Chemkin #5838; RMG #507194 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C12H15(18406)<=>C3H6(18)+C12H16(18680) 2.451708e+27 -4.376 7.580 + +! Reaction index: Chemkin #5839; RMG #507216 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C12H15(18406)<=>C2H3L(19)+C12H16(18680) 1.225854e+27 -4.376 7.689 + +! Reaction index: Chemkin #5840; RMG #507312 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C12H15(18406)<=>C8H15L(21)+C12H16(18680) 1.225854e+27 -4.376 7.493 + +! Reaction index: Chemkin #5841; RMG #507404 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C12H15(18406)<=>C5H9L(24)+C12H16(18680) 1.225854e+27 -4.376 7.493 + +! Reaction index: Chemkin #5842; RMG #507900 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C12H15(18406)<=>C6H11R(56)+C12H16(18680) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5843; RMG #507950 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C12H15(18406)<=>C5H9L(57)+C12H16(18680) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5844; RMG #507998 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C12H15(18406)<=>C3H5R(58)+C12H16(18680) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5845; RMG #508020 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C12H15(18406)<=>C3H5L(59)+C12H16(18680) 5.258140e+13 -0.550 0.119 + +! Reaction index: Chemkin #5846; RMG #508058 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C12H15(18406)<=>C4H7R(60)+C12H16(18680) 5.258140e+13 -0.550 0.119 + +! Reaction index: Chemkin #5847; RMG #508126 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C12H15(18406)<=>C8H15L(61)+C12H16(18680) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5848; RMG #508182 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C12H15(18406)<=>C7H13R(62)+C12H16(18680) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #5849; RMG #508232 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C12H15(18406)<=>C6H11L(63)+C12H16(18680) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #5850; RMG #508942 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C12H15(18406)<=>C6H8(118)+C12H16(18680) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #5851; RMG #509062 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C12H15(18406)<=>C6H8(125)+C12H16(18680) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #5852; RMG #509072 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C12H15(18406)<=>C6H8(125)+C12H16(18680) 2.700000e+03 2.700 0.000 + +! Reaction index: Chemkin #5853; RMG #509104 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C12H15(18406)<=>C4H8(157)+C12H16(18680) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #5854; RMG #509316 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C12H15(18406)<=>C5H6(187)+C12H16(18680) 2.700000e+03 2.700 0.000 + +! Reaction index: Chemkin #5855; RMG #509492 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(118), C6H7(239); C12H15(18406), C12H16(18680); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C12H15(18406)<=>C6H7(239)+C12H16(18680) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #5856; RMG #509508 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C12H15(18406), C12H16(18680); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C12H15(18406)<=>C6H7(239)+C12H16(18680) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #5857; RMG #509524 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C12H15(18406), C12H16(18680); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C12H15(18406)<=>C6H7(239)+C12H16(18680) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #5858; RMG #509568 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C12H15(18406)<=>C6H6(252)+C12H16(18680) 1.350000e+03 2.700 0.437 + +! Reaction index: Chemkin #5859; RMG #509588 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C12H15(18406)<=>C6H6(252)+C12H16(18680) 1.225854e+27 -4.376 11.468 + +! Reaction index: Chemkin #5860; RMG #509622 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C12H15(18406)<=>C5H7L(262)+C12H16(18680) 5.258140e+13 -0.550 0.808 + +! Reaction index: Chemkin #5861; RMG #509652 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C12H15(18406)<=>C5H7L(262)+C12H16(18680) 1.225854e+27 -4.376 10.329 + +! Reaction index: Chemkin #5862; RMG #509722 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C12H15(18406)<=>C6H9R(285)+C12H16(18680) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5863; RMG #509774 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); C12H15(18406), C12H16(18680); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C12H15(18406)<=>C6H8R(287)+C12H16(18680) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #5864; RMG #509942 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C12H15(18406)<=>C6H8(290)+C12H16(18680) 1.225854e+27 -4.376 11.307 + +! Reaction index: Chemkin #5865; RMG #510468 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C12H15(18406)<=>C9H12(18323)+C12H16(18680) 1.225854e+27 -4.376 7.689 + +! Reaction index: Chemkin #5866; RMG #514720 +! Template reaction: H_Abstraction +! Flux pairs: C5H9L(57), C5H8L(77); C12H15(18406), C12H16(18680); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C12H15(18406)<=>C5H8L(77)+C12H16(18680) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #5867; RMG #514736 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(77), C5H9L(84); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(77)+C12H16(18680)<=>C5H9L(84)+C12H15(18406) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #5868; RMG #514812 +! Template reaction: H_Abstraction +! Flux pairs: C3H4R(78), C3H5R(12); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C12H16(18680)<=>C3H5R(12)+C12H15(18406) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #5869; RMG #514828 +! Template reaction: H_Abstraction +! Flux pairs: C3H4R(78), C3H5R(58); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C12H16(18680)<=>C3H5R(58)+C12H15(18406) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #5870; RMG #514904 +! Template reaction: H_Abstraction +! Flux pairs: C4H6R(79), C4H7R(60); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C12H16(18680)<=>C4H7R(60)+C12H15(18406) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #5871; RMG #514920 +! Template reaction: H_Abstraction +! Flux pairs: C4H6R(79), C4H7R(81); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C12H16(18680)<=>C4H7R(81)+C12H15(18406) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #5872; RMG #515134 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(24); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C12H16(18680)<=>C5H9L(24)+C12H15(18406) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #5873; RMG #515150 +! Template reaction: H_Abstraction +! Flux pairs: C5H8L(89), C5H9L(57); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C12H16(18680)<=>C5H9L(57)+C12H15(18406) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #5874; RMG #515226 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C12H15(18406), C12H16(18680); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C12H15(18406)<=>C6H10R(90)+C12H16(18680) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #5875; RMG #515242 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(90)+C12H16(18680)<=>C6H11R(98)+C12H15(18406) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #5876; RMG #515450 +! Template reaction: H_Abstraction +! Flux pairs: C3H6(18), C3H5(102); C12H15(18406), C12H16(18680); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C12H15(18406)<=>C3H5(102)+C12H16(18680) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #5877; RMG #515510 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C12H16(18680)<=>C6H11L(63)+C12H15(18406) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #5878; RMG #515526 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(107); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C12H16(18680)<=>C6H11L(107)+C12H15(18406) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #5879; RMG #515802 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H12R(108)+C12H16(18680)<=>C7H13R(62)+C12H15(18406) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #5880; RMG #515818 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H12R(108)+C12H16(18680)<=>C7H13R(120)+C12H15(18406) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #5881; RMG #516212 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C12H15(18406), C12H16(18680); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C12H15(18406)<=>C6H9(113)+C12H16(18680) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #5882; RMG #516320 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(114), C6H10(116); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9(114)+C12H16(18680)<=>C6H10(116)+C12H15(18406) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #5883; RMG #517327 +! Template reaction: H_Abstraction +! Flux pairs: C3H4L(147), C3H5L(59); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C12H16(18680)<=>C3H5L(59)+C12H15(18406) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #5884; RMG #517405 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(160), C6H10(116); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H9(160)+C12H16(18680)<=>C6H10(116)+C12H15(18406) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #5885; RMG #517605 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C12H15(18406), C12H16(18680); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C12H15(18406)<=>C6H10L(169)+C12H16(18680) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #5886; RMG #517621 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C12H15(18406), C12H16(18680); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C12H15(18406)<=>C6H10L(169)+C12H16(18680) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #5887; RMG #517697 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C12H16(18680)<=>C6H11R(17)+C12H15(18406) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #5888; RMG #517713 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C12H16(18680)<=>C6H11R(56)+C12H15(18406) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #5889; RMG #517827 +! Template reaction: H_Abstraction +! Flux pairs: C5H8(173), C5H7(174); C12H15(18406), C12H16(18680); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C12H15(18406)<=>C5H7(174)+C12H16(18680) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #5890; RMG #517891 +! Template reaction: H_Abstraction +! Flux pairs: C5H7(178), C5H8(180); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H7(178)+C12H16(18680)<=>C5H8(180)+C12H15(18406) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #5891; RMG #518561 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C10H15(183), C10H14(184); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H15(183)+C12H15(18406)<=>C10H14(184)+C12H16(18680) 1.225854e+27 -4.376 10.132 + +! Reaction index: Chemkin #5892; RMG #519133 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C12H15(18406)<=>C8H12(194)+C12H16(18680) 1.225854e+27 -4.376 7.689 + +! Reaction index: Chemkin #5893; RMG #519305 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C12H15(18406), C12H16(18680); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C12H15(18406)<=>C7H12R(199)+C12H16(18680) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #5894; RMG #519321 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C12H15(18406), C12H16(18680); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C12H15(18406)<=>C7H12R(199)+C12H16(18680) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #5895; RMG #519813 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C10H13(202), C10H12(201); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C10H13(202)+C12H15(18406)<=>C10H12(201)+C12H16(18680) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #5896; RMG #521129 +! Template reaction: H_Abstraction +! Flux pairs: C4H6R(224), C4H7R(60); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C12H16(18680)<=>C4H7R(60)+C12H15(18406) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #5897; RMG #521741 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C10H14R(316), C10H13R(240); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H14R(316)+C12H15(18406)<=>C10H13R(240)+C12H16(18680) 1.225854e+27 -4.376 7.503 + +! Reaction index: Chemkin #5898; RMG #522247 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C11H15(18464), C11H14(246); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H15(18464)+C12H15(18406)<=>C11H14(246)+C12H16(18680) 1.225854e+27 -4.376 10.132 + +! Reaction index: Chemkin #5899; RMG #523257 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18389), C12H16(18680); C12H15(18406), C12H14(257); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C12H15(18406)+C12H15(18389)<=>C12H14(257)+C12H16(18680) 1.225854e+27 -4.376 11.386 + +! Reaction index: Chemkin #5900; RMG #526197 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C11H15(256), C11H14(271); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H15(256)+C12H15(18406)<=>C11H14(271)+C12H16(18680) 1.225854e+27 -4.376 10.132 + +! Reaction index: Chemkin #5901; RMG #526665 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C12H15(18406)<=>C9H12(272)+C12H16(18680) 1.225854e+27 -4.376 7.689 + +! Reaction index: Chemkin #5902; RMG #528133 +! Template reaction: Disproportionation +! Flux pairs: C12H15(22038), C12H16(18680); C12H15(18406), C12H14(277); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C12H15(18406)+C12H15(22038)<=>C12H14(277)+C12H16(18680) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #5903; RMG #534761 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18680); C12H15(18406), C12H16(18380); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C12H15(18406)+C12H17(266)<=>C12H16(18380)+C12H16(18680) 1.225854e+27 -4.376 10.329 + +! Reaction index: Chemkin #5904; RMG #536203 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C10H14R(316), C10H13R(18283); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H14R(316)+C12H15(18406)<=>C10H13R(18283)+C12H16(18680) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #5905; RMG #577173 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C11H17(238), C11H16(11281); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H17(238)+C12H15(18406)<=>C11H16(11281)+C12H16(18680) 1.225854e+27 -4.376 10.132 + +! Reaction index: Chemkin #5906; RMG #577174 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C11H17(181), C11H16(11281); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H17(181)+C12H15(18406)<=>C11H16(11281)+C12H16(18680) 1.225854e+27 -4.376 10.329 + +! Reaction index: Chemkin #5907; RMG #584438 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C12H15(18406)<=>C9H11L(18431)+C12H16(18680) 1.225854e+27 -4.376 7.503 + +! Reaction index: Chemkin #5908; RMG #594566 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(18406), C12H16(18680); RC10L(1), C9H17LR(65); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C12H15(18406)<=>C9H17LR(65)+C12H16(18680) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #5909; RMG #594567 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(18406), C12H16(18680); RC10L(1), C9H17LR(69); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C12H15(18406)<=>C9H17LR(69)+C12H16(18680) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #5910; RMG #594568 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); C9H17LR(66), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(66)+C12H16(18680)<=>RC10L(1)+C12H15(18406) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #5911; RMG #594569 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); C9H17LR(68), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(68)+C12H16(18680)<=>RC10L(1)+C12H15(18406) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #5912; RMG #594570 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(18406), C12H16(18680); RC10L(1), C9H17LR(72); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C12H15(18406)<=>C9H17LR(72)+C12H16(18680) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #5913; RMG #594571 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); C9H17LR(73), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(73)+C12H16(18680)<=>RC10L(1)+C12H15(18406) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #5914; RMG #594572 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); C9H17LR(71), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(71)+C12H16(18680)<=>RC10L(1)+C12H15(18406) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #5915; RMG #594573 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); C9H17LR(67), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(67)+C12H16(18680)<=>RC10L(1)+C12H15(18406) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #5916; RMG #594574 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); C9H17LR(70), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(70)+C12H16(18680)<=>RC10L(1)+C12H15(18406) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #5917; RMG #594587 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C12H16(18680)<=>CC(C)L(13)+C12H15(18406) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #5918; RMG #594595 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C12H16(18680)<=>CCCC(C)L(16)+C12H15(18406) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #5919; RMG #594635 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C12H16(18680)<=>CC(C)CR(20)+C12H15(18406) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #5920; RMG #594657 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C12H16(18680)<=>CR(22)+C12H15(18406) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #5921; RMG #594669 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H14R(9)+C12H16(18680)<=>CC(C)CC(C)CR(23)+C12H15(18406) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #5922; RMG #594691 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H12L(11)+C12H16(18680)<=>CC(C)CC(C)L(25)+C12H15(18406) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #5923; RMG #594696 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C12H16(18680)<=>CCL(26)+C12H15(18406) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #5924; RMG #594700 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C12H16(18680)<=>CCCR(27)+C12H15(18406) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #5925; RMG #594711 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)CR(5)+C12H16(18680)<=>CCCC(C)CR(32)+C12H15(18406) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #5926; RMG #594794 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(18406), C12H16(18680); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C12H15(18406)<=>CH3(74)+C12H16(18680) 4.240000e-02 4.340 24.900 + +! Reaction index: Chemkin #5927; RMG #594818 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C12H16(18680)<=>C3H5L(86)+C12H15(18406) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #5928; RMG #594841 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(18406), C12H16(18680); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C12H15(18406)<=>C[CH]C(94)+C12H16(18680) 1.476000e-02 4.340 18.000 + +! Reaction index: Chemkin #5929; RMG #594842 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C12H16(18680)<=>CCC(95)+C12H15(18406) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #5930; RMG #594903 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(18406), C12H16(18680); C6H8(118), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C12H15(18406)<=>C6H7(123)+C12H16(18680) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #5931; RMG #594932 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(18406), C12H16(18680); C6H8(125), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C12H15(18406)<=>C6H7(123)+C12H16(18680) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #5932; RMG #594945 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C12H16(18680)<=>C4H8(157)+C12H15(18406) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #5933; RMG #594978 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(18406), C12H16(18680); C5H6(187), C5H5(189); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C12H15(18406)<=>C5H5(189)+C12H16(18680) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #5934; RMG #143558 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H6(18), C9H13(18194); C6H7(239), C9H13(18194); +! From training reaction 422 used for Cds-CsH_Cds-HH;CsJ-CdCsH +! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CdCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H6(18)+C6H7(239)<=>C9H13(18194) 1.850000e+03 2.410 13.160 + +! Reaction index: Chemkin #5935; RMG #322180 +! Library reaction: restart_edge +! Flux pairs: C9H13(18194), C9H13(312); +! Estimated from node Backbone3_N-Sp-4R!H=1R!H_Sp-2R!H-1R!H_Ext-3R!H-R_Ext-7R!H-R +C9H13(18194)<=>C9H13(312) 4.000000e+08 0.190 1.026 + +! Reaction index: Chemkin #5936; RMG #595029 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(18406), C12H16(18680); [H][H](83), H(82); +! From training reaction 790 used for H2;C_rad/H/CdCs +! Exact match found for rate rule [H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +! Ea raised from 92.9 to 94.2 kJ/mol to match endothermicity of reaction. +[H][H](83)+C12H15(18406)<=>H(82)+C12H16(18680) 4.580000e-02 4.340 22.508 + +! Reaction index: Chemkin #5937; RMG #545312 +! Template reaction: Intra_R_Add_Endocyclic +! Flux pairs: C10H15(18437), C10H15(32871); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing +C10H15(18437)<=>C10H15(32871) 1.260000e+11 0.160 6.191 + +! Reaction index: Chemkin #5938; RMG #144451 +! Library reaction: restart_edge +! Flux pairs: C4H7(156), C10H14(18435); C6H7(239), C10H14(18435); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 2.0 +C4H7(156)+C6H7(239)<=>C10H14(18435) 3.535860e+16 -1.003 0.000 + +! Reaction index: Chemkin #5939; RMG #148269 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C12H16(18725); C6H9(161), C12H16(18725); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H9(161)<=>C12H16(18725) 3.535860e+16 -1.003 0.000 + +! Reaction index: Chemkin #5940; RMG #82731 +! Library reaction: restart_edge +! Flux pairs: C5H7(174), C11H16(11277); C6H9(113), C11H16(11277); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(174)+C6H9(113)<=>C11H16(11277) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #5941; RMG #410420 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C11H16(11277), C11H17(10750); H(82), C11H17(10750); +! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C11H16(11277)<=>C11H17(10750) 2.310000e+08 1.640 -0.470 + +! Reaction index: Chemkin #5942; RMG #605704 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(65)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 6.429 + +! Reaction index: Chemkin #5943; RMG #605712 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(69)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 6.429 + +! Reaction index: Chemkin #5944; RMG #605720 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(66)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5945; RMG #605728 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(68)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5946; RMG #605736 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(72)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 6.429 + +! Reaction index: Chemkin #5947; RMG #605744 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(73)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 5.462 + +! Reaction index: Chemkin #5948; RMG #605752 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(71)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 5.462 + +! Reaction index: Chemkin #5949; RMG #605760 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(67)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5950; RMG #605768 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H17LR(70)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 5.462 + +! Reaction index: Chemkin #5951; RMG #605840 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C10H20R(64), RC10(2); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20R(64)+C11H17(10750)<=>RC10(2)+C11H16(11277) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5952; RMG #605912 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C10H20L(76), LC10(3); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H20L(76)+C11H17(10750)<=>LC10(3)+C11H16(11277) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5953; RMG #605920 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C11H17(10750)<=>C3H5R(12)+C11H16(11277) 1.225854e+27 -4.376 9.219 + +! Reaction index: Chemkin #5954; RMG #605972 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C11H17(10750)<=>CC(C)L(13)+C11H16(11277) 1.225854e+27 -4.376 5.462 + +! Reaction index: Chemkin #5955; RMG #605996 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C11H17(10750)<=>CCCC(C)L(16)+C11H16(11277) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5956; RMG #606028 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C11H17(10750)<=>C6H11R(17)+C11H16(11277) 1.225854e+27 -4.376 9.371 + +! Reaction index: Chemkin #5957; RMG #606088 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C11H17(10750)<=>C3H6(18)+C11H16(11277) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #5958; RMG #606184 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C11H17(10750)<=>CC(C)CR(20)+C11H16(11277) 1.225854e+27 -4.376 5.462 + +! Reaction index: Chemkin #5959; RMG #606276 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C11H17(10750)<=>CR(22)+C11H16(11277) 1.225854e+27 -4.376 5.462 + +! Reaction index: Chemkin #5960; RMG #606324 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H14R(9)+C11H17(10750)<=>CC(C)CC(C)CR(23)+C11H16(11277) 1.225854e+27 -4.376 5.462 + +! Reaction index: Chemkin #5961; RMG #606340 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C11H17(10750)<=>C5H9L(24)+C11H16(11277) 1.225854e+27 -4.376 9.371 + +! Reaction index: Chemkin #5962; RMG #606416 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H12L(11)+C11H17(10750)<=>CC(C)CC(C)L(25)+C11H16(11277) 1.225854e+27 -4.376 5.462 + +! Reaction index: Chemkin #5963; RMG #606440 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C11H17(10750)<=>CCL(26)+C11H16(11277) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5964; RMG #606448 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C11H17(10750)<=>CCCR(27)+C11H16(11277) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5965; RMG #606488 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C11H17(10750)<=>CCCC(C)CR(32)+C11H16(11277) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #5966; RMG #606528 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C11H17(10750)<=>CC(L)CC(C)L(35)+C11H16(11277) 1.225854e+27 -4.376 6.429 + +! Reaction index: Chemkin #5967; RMG #606544 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C11H17(10750)<=>C6H11R(56)+C11H16(11277) 1.225854e+27 -4.376 9.741 + +! Reaction index: Chemkin #5968; RMG #606568 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C11H17(10750)<=>C6H11R(56)+C11H16(11277) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #5969; RMG #606612 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C11H17(10750)<=>C5H9L(57)+C11H16(11277) 1.225854e+27 -4.376 9.741 + +! Reaction index: Chemkin #5970; RMG #606628 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C11H17(10750)<=>C5H9L(57)+C11H16(11277) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #5971; RMG #606672 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C11H17(10750)<=>C3H5R(58)+C11H16(11277) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #5972; RMG #606716 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C11H17(10750)<=>C3H5L(59)+C11H16(11277) 2.451708e+27 -4.376 8.429 + +! Reaction index: Chemkin #5973; RMG #606752 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C11H17(10750)<=>C4H7R(60)+C11H16(11277) 2.451708e+27 -4.376 8.429 + +! Reaction index: Chemkin #5974; RMG #606760 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C11H17(10750)<=>C4H7R(60)+C11H16(11277) 1.225854e+27 -4.376 9.219 + +! Reaction index: Chemkin #5975; RMG #606796 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H14L(112)+C11H17(10750)<=>C8H15L(61)+C11H16(11277) 1.225854e+27 -4.376 9.741 + +! Reaction index: Chemkin #5976; RMG #606888 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C11H17(10750)<=>C7H13R(62)+C11H16(11277) 1.225854e+27 -4.376 9.371 + +! Reaction index: Chemkin #5977; RMG #606956 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C11H17(10750)<=>C6H11L(63)+C11H16(11277) 1.225854e+27 -4.376 9.371 + +! Reaction index: Chemkin #5978; RMG #607008 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C11H17(10750)<=>C(75)+C11H16(11277) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5979; RMG #607016 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C11H17(10750)<=>C4H7R(81)+C11H16(11277) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #5980; RMG #607052 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_N-4R->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C11H17(10750)<=>[H][H](83)+C11H16(11277) 2.169000e+13 0.000 3.928 + +! Reaction index: Chemkin #5981; RMG #607060 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C11H17(10750)<=>C5H9L(84)+C11H16(11277) 1.225854e+27 -4.376 9.358 + +! Reaction index: Chemkin #5982; RMG #607112 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C11H17(10750)<=>C3H5L(86)+C11H16(11277) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #5983; RMG #607172 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C7H15(85)+C11H17(10750)<=>CC(C)CC(C)C(87)+C11H16(11277) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5984; RMG #607252 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C11H17(10750)<=>CCC(95)+C11H16(11277) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5985; RMG #607260 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C11H17(10750)<=>CCC(95)+C11H16(11277) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5986; RMG #607268 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C11H17(10750)<=>C6H11R(98)+C11H16(11277) 1.225854e+27 -4.376 9.358 + +! Reaction index: Chemkin #5987; RMG #607400 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C11H17(10750)<=>C6H11L(107)+C11H16(11277) 1.225854e+27 -4.376 9.741 + +! Reaction index: Chemkin #5988; RMG #607416 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C11H17(10750)<=>C6H11L(107)+C11H16(11277) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #5989; RMG #607460 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C11H17(10750)<=>C6H10(110)+C11H16(11277) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5990; RMG #607540 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C11H17(10750)<=>C6H10(116)+C11H16(11277) 2.451708e+27 -4.376 10.059 + +! Reaction index: Chemkin #5991; RMG #607548 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C11H17(10750)<=>C6H10(116)+C11H16(11277) 1.225854e+27 -4.376 10.059 + +! Reaction index: Chemkin #5992; RMG #607592 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C11H17(10750)<=>C6H8(118)+C11H16(11277) 2.451708e+27 -4.376 9.335 + +! Reaction index: Chemkin #5993; RMG #607600 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H17(10750)<=>C6H8(118)+C11H16(11277) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #5994; RMG #607672 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C11H17(10750)<=>C7H13R(120)+C11H16(11277) 1.225854e+27 -4.376 9.741 + +! Reaction index: Chemkin #5995; RMG #607696 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C11H17(10750)<=>C7H13R(120)+C11H16(11277) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #5996; RMG #607732 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C11H17(10750)<=>C6H8(125)+C11H16(11277) 2.451708e+27 -4.376 9.433 + +! Reaction index: Chemkin #5997; RMG #607812 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C11H17(10750)<=>C4H8(157)+C11H16(11277) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #5998; RMG #607892 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C11H17(10750)<=>C5H8(173)+C11H16(11277) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #5999; RMG #607980 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C11H17(10750)<=>C5H8(180)+C11H16(11277) 2.451708e+27 -4.376 10.059 + +! Reaction index: Chemkin #6000; RMG #608006 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C11H17(10750)<=>C5H6(187)+C11H16(11277) 6.129270e+27 -4.376 9.315 + +! Reaction index: Chemkin #6001; RMG #608220 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C11H17(10750)<=>C6H9R(285)+C11H16(11277) 1.225854e+27 -4.376 10.743 + +! Reaction index: Chemkin #6002; RMG #608300 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H17(10750)<=>C6H8(290)+C11H16(11277) 1.225854e+27 -4.376 11.722 + +! Reaction index: Chemkin #6003; RMG #608372 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C11H17(10750)<=>C6H11L(325)+C11H16(11277) 1.225854e+27 -4.376 9.790 + +! Reaction index: Chemkin #6004; RMG #608424 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C11H17(10750)<=>C7H13R(330)+C11H16(11277) 1.225854e+27 -4.376 9.790 + +! Reaction index: Chemkin #6005; RMG #608492 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C11H17(10750)<=>CC(C)C(29484)+C11H16(11277) 1.500000e+11 0.000 0.000 + +! Reaction index: Chemkin #6006; RMG #608817 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C11H17(10750)<=>C8H17L(49)+C11H16(11277) 1.225854e+27 -4.376 6.007 + +! Reaction index: Chemkin #6007; RMG #609443 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C11H17(10750)<=>C6H8(18175)+C11H16(11277) 1.225854e+27 -4.376 13.118 + +! Reaction index: Chemkin #6008; RMG #82735 +! Library reaction: restart_edge +! Flux pairs: C5H7(174), C11H16(11279); C6H9(113), C11H16(11279); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(174)+C6H9(113)<=>C11H16(11279) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #6009; RMG #143920 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5R(58), C9H12R(18225); C6H7(239), C9H12R(18225); +! Estimated using template [Cds-CsH_Cds-CsH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-CsH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C3H5R(58)+C6H7(239)<=>C9H12R(18225) 2.382500e+02 2.700 11.200 + +! Reaction index: Chemkin #6010; RMG #470171 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(65), RC10L(1); C9H12R(18225), C9H11R(18275); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12R(18225)+C9H17LR(65)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 4.377 + +! Reaction index: Chemkin #6011; RMG #470177 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(69), RC10L(1); C9H12R(18225), C9H11R(18275); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12R(18225)+C9H17LR(69)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 4.377 + +! Reaction index: Chemkin #6012; RMG #470183 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(66), RC10L(1); C9H12R(18225), C9H11R(18275); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12R(18225)+C9H17LR(66)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 4.046 + +! Reaction index: Chemkin #6013; RMG #470189 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(68), RC10L(1); C9H12R(18225), C9H11R(18275); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12R(18225)+C9H17LR(68)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 4.046 + +! Reaction index: Chemkin #6014; RMG #470195 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(72), RC10L(1); C9H12R(18225), C9H11R(18275); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12R(18225)+C9H17LR(72)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 4.377 + +! Reaction index: Chemkin #6015; RMG #470201 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(73), RC10L(1); C9H12R(18225), C9H11R(18275); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12R(18225)+C9H17LR(73)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 3.621 + +! Reaction index: Chemkin #6016; RMG #470207 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(71), RC10L(1); C9H12R(18225), C9H11R(18275); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12R(18225)+C9H17LR(71)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 3.621 + +! Reaction index: Chemkin #6017; RMG #470213 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(67), RC10L(1); C9H12R(18225), C9H11R(18275); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12R(18225)+C9H17LR(67)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 4.046 + +! Reaction index: Chemkin #6018; RMG #470219 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(70), RC10L(1); C9H12R(18225), C9H11R(18275); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12R(18225)+C9H17LR(70)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 3.621 + +! Reaction index: Chemkin #6019; RMG #470273 +! Template reaction: Disproportionation +! Flux pairs: C10H20R(64), RC10(2); C9H12R(18225), C9H11R(18275); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12R(18225)+C10H20R(64)<=>C9H11R(18275)+RC10(2) 1.225854e+27 -4.376 4.046 + +! Reaction index: Chemkin #6020; RMG #470327 +! Template reaction: Disproportionation +! Flux pairs: C10H20L(76), LC10(3); C9H12R(18225), C9H11R(18275); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12R(18225)+C10H20L(76)<=>C9H11R(18275)+LC10(3) 1.225854e+27 -4.376 4.046 + +! Reaction index: Chemkin #6021; RMG #470333 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C9H12R(18225)<=>C3H5R(12)+C9H11R(18275) 1.225854e+27 -4.376 6.614 + +! Reaction index: Chemkin #6022; RMG #470373 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C9H12R(18225)<=>CC(C)L(13)+C9H11R(18275) 1.225854e+27 -4.376 3.621 + +! Reaction index: Chemkin #6023; RMG #470391 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C9H12R(18225)<=>CCCC(C)L(16)+C9H11R(18275) 1.225854e+27 -4.376 4.046 + +! Reaction index: Chemkin #6024; RMG #470415 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C9H12R(18225)<=>C6H11R(17)+C9H11R(18275) 1.225854e+27 -4.376 6.739 + +! Reaction index: Chemkin #6025; RMG #470461 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C9H12R(18225)<=>C3H6(18)+C9H11R(18275) 2.451708e+27 -4.376 5.999 + +! Reaction index: Chemkin #6026; RMG #470535 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C9H12R(18225)<=>CC(C)CR(20)+C9H11R(18275) 1.225854e+27 -4.376 3.621 + +! Reaction index: Chemkin #6027; RMG #470605 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C9H12R(18225)<=>CR(22)+C9H11R(18275) 1.225854e+27 -4.376 3.621 + +! Reaction index: Chemkin #6028; RMG #470641 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H14R(9)+C9H12R(18225)<=>CC(C)CC(C)CR(23)+C9H11R(18275) 1.225854e+27 -4.376 3.621 + +! Reaction index: Chemkin #6029; RMG #470653 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C9H12R(18225)<=>C5H9L(24)+C9H11R(18275) 1.225854e+27 -4.376 6.739 + +! Reaction index: Chemkin #6030; RMG #470711 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H12L(11)+C9H12R(18225)<=>CC(C)CC(C)L(25)+C9H11R(18275) 1.225854e+27 -4.376 3.621 + +! Reaction index: Chemkin #6031; RMG #470729 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C9H12R(18225)<=>CCL(26)+C9H11R(18275) 1.225854e+27 -4.376 4.046 + +! Reaction index: Chemkin #6032; RMG #470735 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C9H12R(18225)<=>CCCR(27)+C9H11R(18275) 1.225854e+27 -4.376 4.046 + +! Reaction index: Chemkin #6033; RMG #470789 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C9H12R(18225)<=>CCCC(C)CR(32)+C9H11R(18275) 1.225854e+27 -4.376 4.046 + +! Reaction index: Chemkin #6034; RMG #470879 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C9H12R(18225)<=>CC(L)CC(C)L(35)+C9H11R(18275) 1.225854e+27 -4.376 4.377 + +! Reaction index: Chemkin #6035; RMG #471083 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C9H12R(18225)<=>C8H17L(49)+C9H11R(18275) 1.225854e+27 -4.376 4.046 + +! Reaction index: Chemkin #6036; RMG #471143 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C9H12R(18225)<=>C6H11R(56)+C9H11R(18275) 1.225854e+27 -4.376 7.041 + +! Reaction index: Chemkin #6037; RMG #471161 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C9H12R(18225)<=>C6H11R(56)+C9H11R(18275) 1.225854e+27 -4.376 5.973 + +! Reaction index: Chemkin #6038; RMG #471195 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C9H12R(18225)<=>C5H9L(57)+C9H11R(18275) 1.225854e+27 -4.376 7.041 + +! Reaction index: Chemkin #6039; RMG #471207 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C9H12R(18225)<=>C5H9L(57)+C9H11R(18275) 1.225854e+27 -4.376 5.973 + +! Reaction index: Chemkin #6040; RMG #471241 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C9H12R(18225)<=>C3H5R(58)+C9H11R(18275) 1.225854e+27 -4.376 5.973 + +! Reaction index: Chemkin #6041; RMG #471275 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C9H12R(18225)<=>C3H5L(59)+C9H11R(18275) 2.451708e+27 -4.376 5.973 + +! Reaction index: Chemkin #6042; RMG #471303 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C9H12R(18225)<=>C4H7R(60)+C9H11R(18275) 2.451708e+27 -4.376 5.973 + +! Reaction index: Chemkin #6043; RMG #471309 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C9H12R(18225)<=>C4H7R(60)+C9H11R(18275) 1.225854e+27 -4.376 6.614 + +! Reaction index: Chemkin #6044; RMG #471337 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H14L(112)+C9H12R(18225)<=>C8H15L(61)+C9H11R(18275) 1.225854e+27 -4.376 7.041 + +! Reaction index: Chemkin #6045; RMG #471407 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C9H12R(18225)<=>C7H13R(62)+C9H11R(18275) 1.225854e+27 -4.376 6.739 + +! Reaction index: Chemkin #6046; RMG #471459 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C9H12R(18225)<=>C6H11L(63)+C9H11R(18275) 1.225854e+27 -4.376 6.739 + +! Reaction index: Chemkin #6047; RMG #471499 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C9H12R(18225)<=>C(75)+C9H11R(18275) 1.225854e+27 -4.376 3.037 + +! Reaction index: Chemkin #6048; RMG #471533 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C9H12R(18225)<=>C4H7R(81)+C9H11R(18275) 1.225854e+27 -4.376 5.973 + +! Reaction index: Chemkin #6049; RMG #471561 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C9H12R(18225)<=>[H][H](83)+C9H11R(18275) 1.225854e+27 -4.376 3.160 + +! Reaction index: Chemkin #6050; RMG #471567 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C9H12R(18225)<=>C5H9L(84)+C9H11R(18275) 1.225854e+27 -4.376 6.727 + +! Reaction index: Chemkin #6051; RMG #471607 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C9H12R(18225)<=>C3H5L(86)+C9H11R(18275) 1.225854e+27 -4.376 5.973 + +! Reaction index: Chemkin #6052; RMG #471653 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H15(85)+C9H12R(18225)<=>CC(C)CC(C)C(87)+C9H11R(18275) 1.225854e+27 -4.376 3.621 + +! Reaction index: Chemkin #6053; RMG #471715 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C9H12R(18225)<=>CCC(95)+C9H11R(18275) 1.225854e+27 -4.376 4.029 + +! Reaction index: Chemkin #6054; RMG #471721 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C9H12R(18225)<=>CCC(95)+C9H11R(18275) 1.225854e+27 -4.376 3.548 + +! Reaction index: Chemkin #6055; RMG #471727 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C9H12R(18225)<=>C6H11R(98)+C9H11R(18275) 1.225854e+27 -4.376 6.727 + +! Reaction index: Chemkin #6056; RMG #471897 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C9H12R(18225)<=>C6H11L(107)+C9H11R(18275) 1.225854e+27 -4.376 7.041 + +! Reaction index: Chemkin #6057; RMG #471909 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C9H12R(18225)<=>C6H11L(107)+C9H11R(18275) 1.225854e+27 -4.376 5.973 + +! Reaction index: Chemkin #6058; RMG #471943 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C9H12R(18225)<=>C6H10(110)+C9H11R(18275) 1.225854e+27 -4.376 7.951 + +! Reaction index: Chemkin #6059; RMG #472073 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C9H12R(18225)<=>C6H10(116)+C9H11R(18275) 2.451708e+27 -4.376 7.301 + +! Reaction index: Chemkin #6060; RMG #472079 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C9H12R(18225)<=>C6H10(116)+C9H11R(18275) 1.225854e+27 -4.376 7.301 + +! Reaction index: Chemkin #6061; RMG #472113 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C9H12R(18225)<=>C6H8(118)+C9H11R(18275) 2.451708e+27 -4.376 6.709 + +! Reaction index: Chemkin #6062; RMG #472119 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C9H12R(18225)<=>C6H8(118)+C9H11R(18275) 1.225854e+27 -4.376 7.863 + +! Reaction index: Chemkin #6063; RMG #472175 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C9H12R(18225)<=>C7H13R(120)+C9H11R(18275) 1.225854e+27 -4.376 7.041 + +! Reaction index: Chemkin #6064; RMG #472193 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(108)+C9H12R(18225)<=>C7H13R(120)+C9H11R(18275) 1.225854e+27 -4.376 5.973 + +! Reaction index: Chemkin #6065; RMG #472221 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C9H12R(18225)<=>C6H8(125)+C9H11R(18275) 2.451708e+27 -4.376 6.789 + +! Reaction index: Chemkin #6066; RMG #472283 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C9H12R(18225)<=>C4H8(157)+C9H11R(18275) 2.451708e+27 -4.376 5.692 + +! Reaction index: Chemkin #6067; RMG #472379 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C9H12R(18225)<=>C5H8(173)+C9H11R(18275) 2.451708e+27 -4.376 7.863 + +! Reaction index: Chemkin #6068; RMG #472447 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C9H12R(18225)<=>C5H8(180)+C9H11R(18275) 2.451708e+27 -4.376 7.301 + +! Reaction index: Chemkin #6069; RMG #472467 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C9H12R(18225)<=>C5H6(187)+C9H11R(18275) 6.129270e+27 -4.376 6.693 + +! Reaction index: Chemkin #6070; RMG #472793 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C9H12R(18225)<=>C6H9R(285)+C9H11R(18275) 1.225854e+27 -4.376 7.863 + +! Reaction index: Chemkin #6071; RMG #472925 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C9H12R(18225)<=>C6H8(290)+C9H11R(18275) 1.225854e+27 -4.376 8.674 + +! Reaction index: Chemkin #6072; RMG #472981 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(169)+C9H12R(18225)<=>C6H11L(325)+C9H11R(18275) 1.225854e+27 -4.376 7.080 + +! Reaction index: Chemkin #6073; RMG #473021 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C7H12R(199)+C9H12R(18225)<=>C7H13R(330)+C9H11R(18275) 1.225854e+27 -4.376 7.080 + +! Reaction index: Chemkin #6074; RMG #473169 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C9H12R(18225)<=>CC(C)C(29484)+C9H11R(18275) 1.225854e+27 -4.376 3.500 + +! Reaction index: Chemkin #6075; RMG #473367 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C9H12R(18225)<=>C6H8(18175)+C9H11R(18275) 1.225854e+27 -4.376 9.839 + +! Reaction index: Chemkin #6076; RMG #480896 +! Template reaction: Disproportionation +! Flux pairs: C10H13(202), C10H14(179); C9H12R(18225), C9H11R(18275); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12R(18225)+C10H13(202)<=>C9H11R(18275)+C10H14(179) 1.225854e+27 -4.376 7.361 + +! Reaction index: Chemkin #6077; RMG #484717 +! Template reaction: Disproportionation +! Flux pairs: C11H15(234), C11H16(229); C9H12R(18225), C9H11R(18275); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12R(18225)+C11H15(234)<=>C9H11R(18275)+C11H16(229) 1.225854e+27 -4.376 7.301 + +! Reaction index: Chemkin #6078; RMG #487725 +! Template reaction: Disproportionation +! Flux pairs: C12H15(323), C12H16(269); C9H12R(18225), C9H11R(18275); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12R(18225)+C12H15(323)<=>C9H11R(18275)+C12H16(269) 1.225854e+27 -4.376 7.361 + +! Reaction index: Chemkin #6079; RMG #535697 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C9H12R(18225), C9H11R(18275); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12R(18225)+C12H15(18406)<=>C9H11R(18275)+C12H16(18680) 1.225854e+27 -4.376 7.361 + +! Reaction index: Chemkin #6080; RMG #612296 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C9H11R(18275), C9H12R(18225); H(82), C9H12R(18225); +! From training reaction 9 used for Cds-HH_Cds-CsH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C9H11R(18275)<=>C9H12R(18225) 3.360000e+08 1.560 0.600 + +! Reaction index: Chemkin #6081; RMG #612293 +! Template reaction: Intra_R_Add_Endocyclic +! Flux pairs: C9H12R(18225), C9H12R(34500); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R_Ext-8R!H-R_Sp-9R!H-8R!H +C9H12R(18225)<=>C9H12R(34500) 9.450000e+10 0.290 6.187 + +! Reaction index: Chemkin #6082; RMG #144450 +! Library reaction: restart_edge +! Flux pairs: C4H7(156), C10H14(18434); C6H7(239), C10H14(18434); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 2.0 +C4H7(156)+C6H7(239)<=>C10H14(18434) 3.535860e+16 -1.003 0.000 + +! Reaction index: Chemkin #6083; RMG #620269 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C11H17(10750), C11H16(11277); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H17(10750)+C12H15(18406)<=>C11H16(11277)+C12H16(18680) 1.225854e+27 -4.376 10.132 + +! Reaction index: Chemkin #6084; RMG #184248 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H7L(262), C10H14L(20637); C5H7(174), C10H14L(20637); +! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +C5H7L(262)+C5H7(174)<=>C10H14L(20637) 4.980000e+04 2.410 8.810 + +! Reaction index: Chemkin #6085; RMG #144073 +! Library reaction: restart_edge +! Flux pairs: C4H6R(79), C10H13R(18278); C6H7(239), C10H13R(18278); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C4H6R(79)+C6H7(239)<=>C10H13R(18278) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #6086; RMG #577428 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C10H13R(18278), C10H14R(18285); H(82), C10H14R(18285); +! From training reaction 2927 used for Cds-HH_Cds-CsCs;HJ +! Exact match found for rate rule [Cds-HH_Cds-CsCs;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C10H13R(18278)<=>C10H14R(18285) 1.691000e+10 1.168 2.996 + +! Reaction index: Chemkin #6087; RMG #620808 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(65)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 4.530 + +! Reaction index: Chemkin #6088; RMG #620814 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(69)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 4.530 + +! Reaction index: Chemkin #6089; RMG #620820 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(66)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 4.192 + +! Reaction index: Chemkin #6090; RMG #620826 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(68)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 4.192 + +! Reaction index: Chemkin #6091; RMG #620832 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(72)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 4.530 + +! Reaction index: Chemkin #6092; RMG #620838 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(73)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 3.757 + +! Reaction index: Chemkin #6093; RMG #620844 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(71)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 3.757 + +! Reaction index: Chemkin #6094; RMG #620850 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(67)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 4.192 + +! Reaction index: Chemkin #6095; RMG #620856 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(70)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 3.757 + +! Reaction index: Chemkin #6096; RMG #620910 +! Template reaction: Disproportionation +! Flux pairs: C10H20R(64), RC10(2); C10H14R(18285), C10H13R(18278); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H14R(18285)+C10H20R(64)<=>C10H13R(18278)+RC10(2) 2.451708e+27 -4.376 4.192 + +! Reaction index: Chemkin #6097; RMG #620964 +! Template reaction: Disproportionation +! Flux pairs: C10H20L(76), LC10(3); C10H14R(18285), C10H13R(18278); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H14R(18285)+C10H20L(76)<=>C10H13R(18278)+LC10(3) 2.451708e+27 -4.376 4.192 + +! Reaction index: Chemkin #6098; RMG #620970 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4R(78)+C10H14R(18285)<=>C3H5R(12)+C10H13R(18278) 2.451708e+27 -4.376 6.812 + +! Reaction index: Chemkin #6099; RMG #621010 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +[CH2]C(C)L(4)+C10H14R(18285)<=>CC(C)L(13)+C10H13R(18278) 2.451708e+27 -4.376 3.757 + +! Reaction index: Chemkin #6100; RMG #621028 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]CC(C)L(7)+C10H14R(18285)<=>CCCC(C)L(16)+C10H13R(18278) 2.451708e+27 -4.376 4.192 + +! Reaction index: Chemkin #6101; RMG #621052 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H10R(171)+C10H14R(18285)<=>C6H11R(17)+C10H13R(18278) 2.451708e+27 -4.376 6.938 + +! Reaction index: Chemkin #6102; RMG #621098 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C3H5(102)+C10H14R(18285)<=>C3H6(18)+C10H13R(18278) 4.903416e+27 -4.376 6.184 + +! Reaction index: Chemkin #6103; RMG #621172 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +[CH2]C(C)CR(6)+C10H14R(18285)<=>CC(C)CR(20)+C10H13R(18278) 2.451708e+27 -4.376 3.757 + +! Reaction index: Chemkin #6104; RMG #621242 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +[CH2]R(14)+C10H14R(18285)<=>CR(22)+C10H13R(18278) 2.451708e+27 -4.376 3.757 + +! Reaction index: Chemkin #6105; RMG #621278 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C7H14R(9)+C10H14R(18285)<=>CC(C)CC(C)CR(23)+C10H13R(18278) 2.451708e+27 -4.376 3.757 + +! Reaction index: Chemkin #6106; RMG #621290 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H8L(89)+C10H14R(18285)<=>C5H9L(24)+C10H13R(18278) 2.451708e+27 -4.376 6.938 + +! Reaction index: Chemkin #6107; RMG #621348 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H12L(11)+C10H14R(18285)<=>CC(C)CC(C)L(25)+C10H13R(18278) 2.451708e+27 -4.376 3.757 + +! Reaction index: Chemkin #6108; RMG #621366 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]L(8)+C10H14R(18285)<=>CCL(26)+C10H13R(18278) 2.451708e+27 -4.376 4.192 + +! Reaction index: Chemkin #6109; RMG #621372 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]CR(10)+C10H14R(18285)<=>CCCR(27)+C10H13R(18278) 2.451708e+27 -4.376 4.192 + +! Reaction index: Chemkin #6110; RMG #621402 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]CC(C)CR(5)+C10H14R(18285)<=>CCCC(C)CR(32)+C10H13R(18278) 2.451708e+27 -4.376 4.192 + +! Reaction index: Chemkin #6111; RMG #621426 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H10R(90)+C10H14R(18285)<=>C6H11R(56)+C10H13R(18278) 2.451708e+27 -4.376 7.246 + +! Reaction index: Chemkin #6112; RMG #621444 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H10R(171)+C10H14R(18285)<=>C6H11R(56)+C10H13R(18278) 2.451708e+27 -4.376 6.159 + +! Reaction index: Chemkin #6113; RMG #621478 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H8L(77)+C10H14R(18285)<=>C5H9L(57)+C10H13R(18278) 2.451708e+27 -4.376 7.246 + +! Reaction index: Chemkin #6114; RMG #621490 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H8L(89)+C10H14R(18285)<=>C5H9L(57)+C10H13R(18278) 2.451708e+27 -4.376 6.159 + +! Reaction index: Chemkin #6115; RMG #621524 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4R(78)+C10H14R(18285)<=>C3H5R(58)+C10H13R(18278) 2.451708e+27 -4.376 6.159 + +! Reaction index: Chemkin #6116; RMG #621558 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C3H4L(147)+C10H14R(18285)<=>C3H5L(59)+C10H13R(18278) 4.903416e+27 -4.376 6.159 + +! Reaction index: Chemkin #6117; RMG #621586 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C4H6R(224)+C10H14R(18285)<=>C4H7R(60)+C10H13R(18278) 4.903416e+27 -4.376 6.159 + +! Reaction index: Chemkin #6118; RMG #621592 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(79)+C10H14R(18285)<=>C4H7R(60)+C10H13R(18278) 2.451708e+27 -4.376 6.812 + +! Reaction index: Chemkin #6119; RMG #621620 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C8H14L(112)+C10H14R(18285)<=>C8H15L(61)+C10H13R(18278) 2.451708e+27 -4.376 7.246 + +! Reaction index: Chemkin #6120; RMG #621690 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C7H12R(108)+C10H14R(18285)<=>C7H13R(62)+C10H13R(18278) 2.451708e+27 -4.376 6.938 + +! Reaction index: Chemkin #6121; RMG #621742 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H10L(103)+C10H14R(18285)<=>C6H11L(63)+C10H13R(18278) 2.451708e+27 -4.376 6.938 + +! Reaction index: Chemkin #6122; RMG #621782 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +CH3(74)+C10H14R(18285)<=>C(75)+C10H13R(18278) 2.451708e+27 -4.376 3.159 + +! Reaction index: Chemkin #6123; RMG #621788 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(79)+C10H14R(18285)<=>C4H7R(81)+C10H13R(18278) 2.451708e+27 -4.376 6.159 + +! Reaction index: Chemkin #6124; RMG #621816 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +H(82)+C10H14R(18285)<=>[H][H](83)+C10H13R(18278) 2.451708e+27 -4.376 3.285 + +! Reaction index: Chemkin #6125; RMG #621822 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H8L(77)+C10H14R(18285)<=>C5H9L(84)+C10H13R(18278) 2.451708e+27 -4.376 6.927 + +! Reaction index: Chemkin #6126; RMG #621862 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H10R(90)+C10H14R(18285)<=>C6H11R(98)+C10H13R(18278) 2.451708e+27 -4.376 6.927 + +! Reaction index: Chemkin #6127; RMG #621908 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H10L(169)+C10H14R(18285)<=>C6H11L(107)+C10H13R(18278) 2.451708e+27 -4.376 7.246 + +! Reaction index: Chemkin #6128; RMG #621920 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H10L(103)+C10H14R(18285)<=>C6H11L(107)+C10H13R(18278) 2.451708e+27 -4.376 6.159 + +! Reaction index: Chemkin #6129; RMG #621954 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(113)+C10H14R(18285)<=>C6H10(110)+C10H13R(18278) 2.451708e+27 -4.376 8.172 + +! Reaction index: Chemkin #6130; RMG #622010 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C7H12R(199)+C10H14R(18285)<=>C7H13R(120)+C10H13R(18278) 2.451708e+27 -4.376 7.246 + +! Reaction index: Chemkin #6131; RMG #622028 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C7H12R(108)+C10H14R(18285)<=>C7H13R(120)+C10H13R(18278) 2.451708e+27 -4.376 6.159 + +! Reaction index: Chemkin #6132; RMG #622242 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H9L2(203)+C10H14R(18285)<=>CC(L)CC(C)L(35)+C10H13R(18278) 2.451708e+27 -4.376 4.530 + +! Reaction index: Chemkin #6133; RMG #622548 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C8H16L(15)+C10H14R(18285)<=>C8H17L(49)+C10H13R(18278) 2.451708e+27 -4.376 4.192 + +! Reaction index: Chemkin #6134; RMG #622608 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(219)+C10H14R(18285)<=>C3H5L(86)+C10H13R(18278) 2.451708e+27 -4.376 6.159 + +! Reaction index: Chemkin #6135; RMG #622654 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C7H15(85)+C10H14R(18285)<=>CC(C)CC(C)C(87)+C10H13R(18278) 2.451708e+27 -4.376 3.757 + +! Reaction index: Chemkin #6136; RMG #622716 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C10H14R(18285)<=>CCC(95)+C10H13R(18278) 2.451708e+27 -4.376 4.174 + +! Reaction index: Chemkin #6137; RMG #622722 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +[CH2]CC(195)+C10H14R(18285)<=>CCC(95)+C10H13R(18278) 2.451708e+27 -4.376 3.682 + +! Reaction index: Chemkin #6138; RMG #623018 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C6H9(160)+C10H14R(18285)<=>C6H10(116)+C10H13R(18278) 4.903416e+27 -4.376 7.511 + +! Reaction index: Chemkin #6139; RMG #623024 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(114)+C10H14R(18285)<=>C6H10(116)+C10H13R(18278) 2.451708e+27 -4.376 7.511 + +! Reaction index: Chemkin #6140; RMG #623104 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C6H7(123)+C10H14R(18285)<=>C6H8(118)+C10H13R(18278) 4.903416e+27 -4.376 6.908 + +! Reaction index: Chemkin #6141; RMG #623110 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(239)+C10H14R(18285)<=>C6H8(118)+C10H13R(18278) 2.451708e+27 -4.376 8.083 + +! Reaction index: Chemkin #6142; RMG #623166 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C6H7(123)+C10H14R(18285)<=>C6H8(125)+C10H13R(18278) 4.903416e+27 -4.376 6.989 + +! Reaction index: Chemkin #6143; RMG #623296 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C4H7(156)+C10H14R(18285)<=>C4H8(157)+C10H13R(18278) 4.903416e+27 -4.376 5.872 + +! Reaction index: Chemkin #6144; RMG #623392 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C5H7(174)+C10H14R(18285)<=>C5H8(173)+C10H13R(18278) 4.903416e+27 -4.376 8.083 + +! Reaction index: Chemkin #6145; RMG #623460 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C5H7(178)+C10H14R(18285)<=>C5H8(180)+C10H13R(18278) 4.903416e+27 -4.376 7.511 + +! Reaction index: Chemkin #6146; RMG #623480 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 30.0 +C5H5(189)+C10H14R(18285)<=>C5H6(187)+C10H13R(18278) 1.225854e+28 -4.376 6.892 + +! Reaction index: Chemkin #6147; RMG #623888 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H8R(287)+C10H14R(18285)<=>C6H9R(285)+C10H13R(18278) 2.451708e+27 -4.376 8.083 + +! Reaction index: Chemkin #6148; RMG #623950 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(239)+C10H14R(18285)<=>C6H8(290)+C10H13R(18278) 2.451708e+27 -4.376 8.907 + +! Reaction index: Chemkin #6149; RMG #624006 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H10L(169)+C10H14R(18285)<=>C6H11L(325)+C10H13R(18278) 2.451708e+27 -4.376 7.286 + +! Reaction index: Chemkin #6150; RMG #624046 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C7H12R(199)+C10H14R(18285)<=>C7H13R(330)+C10H13R(18278) 2.451708e+27 -4.376 7.286 + +! Reaction index: Chemkin #6151; RMG #624098 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +[CH2]C(C)C(399)+C10H14R(18285)<=>CC(C)C(29484)+C10H13R(18278) 2.451708e+27 -4.376 3.633 + +! Reaction index: Chemkin #6152; RMG #624200 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(239)+C10H14R(18285)<=>C6H8(18175)+C10H13R(18278) 2.451708e+27 -4.376 10.091 + +! Reaction index: Chemkin #6153; RMG #624918 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H14(179); C10H13(202), C10H13R(18278); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H13(202)+C10H14R(18285)<=>C10H13R(18278)+C10H14(179) 2.451708e+27 -4.376 7.571 + +! Reaction index: Chemkin #6154; RMG #625418 +! Template reaction: Disproportionation +! Flux pairs: C11H15(234), C11H16(229); C10H14R(18285), C10H13R(18278); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H14R(18285)+C11H15(234)<=>C10H13R(18278)+C11H16(229) 2.451708e+27 -4.376 7.511 + +! Reaction index: Chemkin #6155; RMG #627156 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C10H14R(18285), C10H13R(18278); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H14R(18285)+C12H15(18406)<=>C10H13R(18278)+C12H16(18680) 2.451708e+27 -4.376 7.571 + +! Reaction index: Chemkin #6156; RMG #148512 +! Library reaction: restart_edge +! Flux pairs: C5H7(178), C11H14(18772); C6H7(239), C11H14(18772); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(178)+C6H7(239)<=>C11H14(18772) 3.535860e+16 -1.003 0.000 + +! Reaction index: Chemkin #6157; RMG #549616 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(18468), C11H14(18772); RC10L(1), C9H17LR(65); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C11H13(18468)<=>C9H17LR(65)+C11H14(18772) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #6158; RMG #549617 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(18468), C11H14(18772); RC10L(1), C9H17LR(69); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C11H13(18468)<=>C9H17LR(69)+C11H14(18772) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #6159; RMG #549618 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C9H17LR(66), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(66)+C11H14(18772)<=>RC10L(1)+C11H13(18468) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6160; RMG #549619 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C9H17LR(68), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(68)+C11H14(18772)<=>RC10L(1)+C11H13(18468) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6161; RMG #549620 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(18468), C11H14(18772); RC10L(1), C9H17LR(72); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C11H13(18468)<=>C9H17LR(72)+C11H14(18772) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #6162; RMG #549621 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C9H17LR(73), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(73)+C11H14(18772)<=>RC10L(1)+C11H13(18468) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6163; RMG #549622 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C9H17LR(71), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(71)+C11H14(18772)<=>RC10L(1)+C11H13(18468) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6164; RMG #549623 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C9H17LR(67), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(67)+C11H14(18772)<=>RC10L(1)+C11H13(18468) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6165; RMG #549624 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C9H17LR(70), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(70)+C11H14(18772)<=>RC10L(1)+C11H13(18468) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6166; RMG #549630 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C3H4R(78), C3H5R(12); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C11H14(18772)<=>C3H5R(12)+C11H13(18468) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6167; RMG #549638 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C11H14(18772)<=>CC(C)L(13)+C11H13(18468) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6168; RMG #549644 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(18468), C11H14(18772); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C11H13(18468)<=>C3H5(102)+C11H14(18772) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #6169; RMG #549662 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C11H14(18772)<=>CC(C)CR(20)+C11H13(18468) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6170; RMG #549664 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C11H14(18772)<=>CR(22)+C11H13(18468) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6171; RMG #549673 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C5H8L(89), C5H9L(24); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C11H14(18772)<=>C5H9L(24)+C11H13(18468) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6172; RMG #549687 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H12L(11)+C11H14(18772)<=>CC(C)CC(C)L(25)+C11H13(18468) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6173; RMG #549692 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C11H14(18772)<=>CCL(26)+C11H13(18468) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6174; RMG #549696 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C11H14(18772)<=>CCCR(27)+C11H13(18468) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6175; RMG #550259 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(18468), C11H14(18772); C6H11R(56), C6H10R(90); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C11H13(18468)<=>C6H10R(90)+C11H14(18772) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #6176; RMG #550262 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C6H10R(171), C6H11R(56); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C11H14(18772)<=>C6H11R(56)+C11H13(18468) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6177; RMG #550274 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(18468), C11H14(18772); C5H9L(57), C5H8L(77); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C11H13(18468)<=>C5H8L(77)+C11H14(18772) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #6178; RMG #550276 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C5H8L(89), C5H9L(57); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C11H14(18772)<=>C5H9L(57)+C11H13(18468) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6179; RMG #550286 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C11H14(18772)<=>C3H5R(58)+C11H13(18468) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6180; RMG #550295 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C11H14(18772)<=>C3H5L(59)+C11H13(18468) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #6181; RMG #550304 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C11H14(18772)<=>C4H7R(60)+C11H13(18468) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #6182; RMG #550305 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C4H6R(79), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C11H14(18772)<=>C4H7R(60)+C11H13(18468) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6183; RMG #550318 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C7H12R(108), C7H13R(62); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H12R(108)+C11H14(18772)<=>C7H13R(62)+C11H13(18468) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6184; RMG #550333 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C6H10L(103), C6H11L(63); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C11H14(18772)<=>C6H11L(63)+C11H13(18468) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6185; RMG #550340 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(18468), C11H14(18772); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C11H13(18468)<=>CH3(74)+C11H14(18772) 4.240000e-02 4.340 24.900 + +! Reaction index: Chemkin #6186; RMG #550345 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C11H14(18772)<=>C4H7R(81)+C11H13(18468) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6187; RMG #550355 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C5H8L(77), C5H9L(84); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(77)+C11H14(18772)<=>C5H9L(84)+C11H13(18468) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6188; RMG #550379 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(18468), C11H14(18772); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C11H13(18468)<=>C[CH]C(94)+C11H14(18772) 1.476000e-02 4.340 18.000 + +! Reaction index: Chemkin #6189; RMG #550380 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C11H14(18772)<=>CCC(95)+C11H13(18468) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6190; RMG #550388 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C6H10R(90), C6H11R(98); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(90)+C11H14(18772)<=>C6H11R(98)+C11H13(18468) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6191; RMG #550417 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(18468), C11H14(18772); C6H11L(107), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C11H13(18468)<=>C6H10L(169)+C11H14(18772) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #6192; RMG #550419 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C6H10L(103), C6H11L(107); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C11H14(18772)<=>C6H11L(107)+C11H13(18468) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6193; RMG #550607 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C6H9(160), C6H10(116); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H9(160)+C11H14(18772)<=>C6H10(116)+C11H13(18468) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #6194; RMG #550608 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C6H9(114), C6H10(116); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9(114)+C11H14(18772)<=>C6H10(116)+C11H13(18468) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6195; RMG #550718 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(18468), C11H14(18772); C6H8(118), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C11H13(18468)<=>C6H7(123)+C11H14(18772) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #6196; RMG #550719 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(18468), C11H14(18772); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C11H13(18468)<=>C6H7(239)+C11H14(18772) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #6197; RMG #550736 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(18468), C11H14(18772); C6H8(125), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C11H13(18468)<=>C6H7(123)+C11H14(18772) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #6198; RMG #550825 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C11H14(18772)<=>C4H8(157)+C11H13(18468) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #6199; RMG #550974 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C5H7(178), C5H8(180); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H7(178)+C11H14(18772)<=>C5H8(180)+C11H13(18468) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #6200; RMG #551032 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(18468), C11H14(18772); C5H6(187), C5H5(189); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C11H13(18468)<=>C5H5(189)+C11H14(18772) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #6201; RMG #556456 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C11H14(18772)<=>C3H5L(86)+C11H13(18468) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6202; RMG #556806 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(18468), C11H14(18772); C7H13R(120), C7H12R(199); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C11H13(18468)<=>C7H12R(199)+C11H14(18772) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #6203; RMG #556809 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C7H12R(108), C7H13R(120); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H12R(108)+C11H14(18772)<=>C7H13R(120)+C11H13(18468) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6204; RMG #561389 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(18468), C11H14(18772); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C11H13(18468)<=>C5H7(174)+C11H14(18772) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #6205; RMG #564924 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(18468), C11H14(18772); C6H11L(325), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C11H13(18468)<=>C6H10L(169)+C11H14(18772) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #6206; RMG #564949 +! Template reaction: H_Abstraction +! Flux pairs: C11H13(18468), C11H14(18772); C7H13R(330), C7H12R(199); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C11H13(18468)<=>C7H12R(199)+C11H14(18772) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #6207; RMG #572658 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C11H14(18772)<=>CCCC(C)L(16)+C11H13(18468) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6208; RMG #585222 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)CR(5)+C11H14(18772)<=>CCCC(C)CR(32)+C11H13(18468) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6209; RMG #588108 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H14R(9)+C11H14(18772)<=>CC(C)CC(C)CR(23)+C11H13(18468) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6210; RMG #629357 +! Template reaction: R_Recombination +! Flux pairs: C11H13(18468), C11H14(18772); H(82), C11H14(18772); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H +H(82)+C11H13(18468)<=>C11H14(18772) 1.576430e+13 -0.222 0.000 + +! Reaction index: Chemkin #6211; RMG #629567 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C11H13(18468)<=>C3H5R(12)+C11H14(18772) 1.225854e+27 -4.376 7.689 + +! Reaction index: Chemkin #6212; RMG #629633 +! Template reaction: H_Abstraction +! Flux pairs: C11H14(18772), C11H13(18468); C6H10R(171), C6H11R(17); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C11H14(18772)<=>C6H11R(17)+C11H13(18468) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6213; RMG #629689 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C11H13(18468)<=>C6H11R(17)+C11H14(18772) 1.225854e+27 -4.376 7.493 + +! Reaction index: Chemkin #6214; RMG #629717 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C11H13(18468)<=>C3H6(18)+C11H14(18772) 2.105300e+14 -0.550 0.172 + +! Reaction index: Chemkin #6215; RMG #629727 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C11H13(18468)<=>C3H6(18)+C11H14(18772) 2.451708e+27 -4.376 7.580 + +! Reaction index: Chemkin #6216; RMG #629757 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C11H13(18468)<=>C2H3L(19)+C11H14(18772) 1.225854e+27 -4.376 7.689 + +! Reaction index: Chemkin #6217; RMG #629865 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C11H13(18468)<=>C8H15L(21)+C11H14(18772) 1.225854e+27 -4.376 7.493 + +! Reaction index: Chemkin #6218; RMG #629960 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C11H13(18468)<=>C5H9L(24)+C11H14(18772) 1.225854e+27 -4.376 7.493 + +! Reaction index: Chemkin #6219; RMG #631525 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C11H13(18468)<=>C6H11R(56)+C11H14(18772) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6220; RMG #631589 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C11H13(18468)<=>C5H9L(57)+C11H14(18772) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6221; RMG #631652 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C11H13(18468)<=>C3H5R(58)+C11H14(18772) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6222; RMG #631682 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C11H13(18468)<=>C3H5L(59)+C11H14(18772) 5.258140e+13 -0.550 0.119 + +! Reaction index: Chemkin #6223; RMG #631730 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C11H13(18468)<=>C4H7R(60)+C11H14(18772) 5.258140e+13 -0.550 0.119 + +! Reaction index: Chemkin #6224; RMG #631798 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C11H13(18468)<=>C8H15L(61)+C11H14(18772) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6225; RMG #631870 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C11H13(18468)<=>C7H13R(62)+C11H14(18772) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6226; RMG #631934 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C11H13(18468)<=>C6H11L(63)+C11H14(18772) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6227; RMG #633044 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C11H13(18468), C11H14(18772); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C11H13(18468)<=>C6H9(113)+C11H14(18772) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #6228; RMG #633361 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C11H13(18468)<=>C6H8(118)+C11H14(18772) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #6229; RMG #633481 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C11H13(18468)<=>C6H8(125)+C11H14(18772) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #6230; RMG #633491 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C11H13(18468)<=>C6H8(125)+C11H14(18772) 2.700000e+03 2.700 0.000 + +! Reaction index: Chemkin #6231; RMG #633702 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C11H13(18468)<=>C4H8(157)+C11H14(18772) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6232; RMG #634125 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C10H13(202), C10H14(179); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H13(202)+C11H17(10750)<=>C10H14(179)+C11H16(11277) 1.225854e+27 -4.376 10.132 + +! Reaction index: Chemkin #6233; RMG #634635 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C10H15(183), C10H14(184); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H15(183)+C11H13(18468)<=>C10H14(184)+C11H14(18772) 1.225854e+27 -4.376 10.132 + +! Reaction index: Chemkin #6234; RMG #634773 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C11H13(18468)<=>C5H6(187)+C11H14(18772) 2.700000e+03 2.700 0.000 + +! Reaction index: Chemkin #6235; RMG #635005 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C11H13(18468)<=>C8H12(194)+C11H14(18772) 1.225854e+27 -4.376 7.689 + +! Reaction index: Chemkin #6236; RMG #635269 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C10H13(202), C10H12(201); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C10H13(202)+C11H13(18468)<=>C10H12(201)+C11H14(18772) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #6237; RMG #636000 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C11H15(234), C11H16(229); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H15(234)+C11H17(10750)<=>C11H16(229)+C11H16(11277) 1.225854e+27 -4.376 10.059 + +! Reaction index: Chemkin #6238; RMG #636247 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C11H13(18468), C11H14(18772); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C11H13(18468)<=>C6H7(239)+C11H14(18772) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #6239; RMG #636263 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C11H13(18468), C11H14(18772); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C11H13(18468)<=>C6H7(239)+C11H14(18772) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6240; RMG #636491 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C10H14R(316), C10H13R(240); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H14R(316)+C11H13(18468)<=>C10H13R(240)+C11H14(18772) 1.225854e+27 -4.376 7.503 + +! Reaction index: Chemkin #6241; RMG #636765 +! Template reaction: Disproportionation +! Flux pairs: C11H15(18464), C11H14(246); C11H13(18468), C11H14(18772); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H13(18468)+C11H15(18464)<=>C11H14(18772)+C11H14(246) 1.225854e+27 -4.376 10.132 + +! Reaction index: Chemkin #6242; RMG #636927 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C11H13(18468)<=>C6H6(252)+C11H14(18772) 1.350000e+03 2.700 0.437 + +! Reaction index: Chemkin #6243; RMG #636947 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C11H13(18468)<=>C6H6(252)+C11H14(18772) 1.225854e+27 -4.376 11.468 + +! Reaction index: Chemkin #6244; RMG #637343 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18389), C12H14(257); C11H13(18468), C11H14(18772); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H13(18468)+C12H15(18389)<=>C11H14(18772)+C12H14(257) 1.225854e+27 -4.376 11.386 + +! Reaction index: Chemkin #6245; RMG #637773 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C11H13(18468)<=>C5H7L(262)+C11H14(18772) 5.258140e+13 -0.550 0.808 + +! Reaction index: Chemkin #6246; RMG #637803 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C11H13(18468)<=>C5H7L(262)+C11H14(18772) 1.225854e+27 -4.376 10.329 + +! Reaction index: Chemkin #6247; RMG #638525 +! Template reaction: Disproportionation +! Flux pairs: C12H15(323), C12H16(269); C10H14R(18285), C10H13R(18278); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H14R(18285)+C12H15(323)<=>C10H13R(18278)+C12H16(269) 2.451708e+27 -4.376 7.571 + +! Reaction index: Chemkin #6248; RMG #639255 +! Template reaction: Disproportionation +! Flux pairs: C11H15(256), C11H14(271); C11H13(18468), C11H14(18772); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H13(18468)+C11H15(256)<=>C11H14(18772)+C11H14(271) 1.225854e+27 -4.376 10.132 + +! Reaction index: Chemkin #6249; RMG #639363 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C11H13(18468)<=>C9H12(272)+C11H14(18772) 1.225854e+27 -4.376 7.689 + +! Reaction index: Chemkin #6250; RMG #639973 +! Template reaction: Disproportionation +! Flux pairs: C11H13(298), C11H14(276); C10H14R(18285), C10H13R(18278); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H14R(18285)+C11H13(298)<=>C10H13R(18278)+C11H14(276) 2.451708e+27 -4.376 7.571 + +! Reaction index: Chemkin #6251; RMG #640301 +! Template reaction: Disproportionation +! Flux pairs: C12H15(22038), C12H14(277); C11H13(18468), C11H14(18772); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C11H13(18468)+C12H15(22038)<=>C11H14(18772)+C12H14(277) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #6252; RMG #640720 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C11H13(18468)<=>C6H9R(285)+C11H14(18772) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6253; RMG #640730 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(285), C6H8R(287); C11H13(18468), C11H14(18772); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C11H13(18468)<=>C6H8R(287)+C11H14(18772) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #6254; RMG #640870 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C11H13(18468)<=>C6H8(290)+C11H14(18772) 1.225854e+27 -4.376 11.307 + +! Reaction index: Chemkin #6255; RMG #643666 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18680), C12H15(18406); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C12H16(18680)<=>CC(C)C(29484)+C12H15(18406) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6256; RMG #644368 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C11H13(18468)<=>C9H12(18323)+C11H14(18772) 1.225854e+27 -4.376 7.689 + +! Reaction index: Chemkin #6257; RMG #644748 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C11H13(18468), C11H14(18772); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H13(18468)+C12H17(266)<=>C11H14(18772)+C12H16(18380) 1.225854e+27 -4.376 10.329 + +! Reaction index: Chemkin #6258; RMG #645680 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C9H12R(18225), C9H11R(18275); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12R(18225)+C11H13(18468)<=>C9H11R(18275)+C11H14(18772) 1.225854e+27 -4.376 7.361 + +! Reaction index: Chemkin #6259; RMG #646134 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C10H14R(316), C10H13R(18283); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H14R(316)+C11H13(18468)<=>C10H13R(18283)+C11H14(18772) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6260; RMG #647834 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C11H13(18468), C11H14(18772); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H13(18468)+C11H17(238)<=>C11H14(18772)+C11H16(11281) 1.225854e+27 -4.376 10.132 + +! Reaction index: Chemkin #6261; RMG #647844 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C11H13(18468), C11H14(18772); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H13(18468)+C11H17(181)<=>C11H14(18772)+C11H16(11281) 1.225854e+27 -4.376 10.329 + +! Reaction index: Chemkin #6262; RMG #648186 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C11H13(18468)<=>C9H11L(18431)+C11H14(18772) 1.225854e+27 -4.376 7.503 + +! Reaction index: Chemkin #6263; RMG #648660 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C11H13(18468), C11H14(18772); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H13(18468)+C11H17(10750)<=>C11H14(18772)+C11H16(11277) 1.225854e+27 -4.376 10.132 + +! Reaction index: Chemkin #6264; RMG #648876 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C10H14R(18285), C10H13R(18278); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H14R(18285)+C11H13(18468)<=>C10H13R(18278)+C11H14(18772) 2.451708e+27 -4.376 7.571 + +! Reaction index: Chemkin #6265; RMG #144496 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C5H8(173), C11H15(18454); C6H7(239), C11H15(18454); +! Estimated using template [Cds-CsH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-CdH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C5H8(173)+C6H7(239)<=>C11H15(18454) 1.190000e+04 2.410 10.290 + +! Reaction index: Chemkin #6266; RMG #22703 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C6H10R(90); C6H9R(1802), C6H10R(90); +! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ +! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C6H9R(1802)<=>C6H10R(90) 2.310000e+08 1.640 -0.470 + +! Reaction index: Chemkin #6267; RMG #23209 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(1802); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H10R(90)<=>C5H9L(57)+C6H9R(1802) 1.225850e+27 -4.376 9.934 + +! Reaction index: Chemkin #6268; RMG #23216 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(1802); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H10R(90)<=>C5H9L(84)+C6H9R(1802) 1.225850e+27 -4.376 9.545 + +! Reaction index: Chemkin #6269; RMG #23222 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(1802); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C6H10R(90)<=>C3H5R(12)+C6H9R(1802) 1.225850e+27 -4.376 9.405 + +! Reaction index: Chemkin #6270; RMG #23228 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(1802); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4R(78)+C6H10R(90)<=>C3H5R(58)+C6H9R(1802) 1.225850e+27 -4.376 8.605 + +! Reaction index: Chemkin #6271; RMG #23233 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(1802); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C6H10R(90)<=>C4H7R(60)+C6H9R(1802) 1.225850e+27 -4.376 9.405 + +! Reaction index: Chemkin #6272; RMG #23238 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(1802); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6R(79)+C6H10R(90)<=>C4H7R(81)+C6H9R(1802) 1.225850e+27 -4.376 8.605 + +! Reaction index: Chemkin #6273; RMG #23272 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(1802); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C6H10R(90)<=>C5H9L(24)+C6H9R(1802) 1.225850e+27 -4.376 9.560 + +! Reaction index: Chemkin #6274; RMG #23278 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(1802); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(89)+C6H10R(90)<=>C5H9L(57)+C6H9R(1802) 1.225850e+27 -4.376 8.605 + +! Reaction index: Chemkin #6275; RMG #23283 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H11R(56); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C6H10R(90)<=>C6H9R(1802)+C6H11R(56) 1.225850e+27 -4.376 9.934 + +! Reaction index: Chemkin #6276; RMG #23287 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H11R(98); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C6H10R(90)<=>C6H9R(1802)+C6H11R(98) 1.225850e+27 -4.376 9.545 + +! Reaction index: Chemkin #6277; RMG #29566 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(1802); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H5(102)+C6H10R(90)<=>C3H6(18)+C6H9R(1802) 2.451710e+27 -4.376 8.636 + +! Reaction index: Chemkin #6278; RMG #30166 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H11L(63); C6H10L(103), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C6H10R(90)<=>C6H9R(1802)+C6H11L(63) 1.225850e+27 -4.376 9.560 + +! Reaction index: Chemkin #6279; RMG #30168 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H11L(107); C6H10L(103), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10L(103)+C6H10R(90)<=>C6H9R(1802)+C6H11L(107) 1.225850e+27 -4.376 8.605 + +! Reaction index: Chemkin #6280; RMG #36169 +! Library reaction: restart_edge +! Flux pairs: C7H12R(108), C7H13R(62); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C7H12R(108)<=>C6H9R(1802)+C7H13R(62) 1.225850e+27 -4.376 9.560 + +! Reaction index: Chemkin #6281; RMG #36171 +! Library reaction: restart_edge +! Flux pairs: C7H12R(108), C7H13R(120); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C7H12R(108)<=>C6H9R(1802)+C7H13R(120) 1.225850e+27 -4.376 8.605 + +! Reaction index: Chemkin #6282; RMG #42735 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H10(110); C6H9(113), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(113)+C6H10R(90)<=>C6H9R(1802)+C6H10(110) 1.225850e+27 -4.376 11.055 + +! Reaction index: Chemkin #6283; RMG #42752 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H10(116); C6H9(114), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C6H10R(90)<=>C6H9R(1802)+C6H10(116) 1.225850e+27 -4.376 10.255 + +! Reaction index: Chemkin #6284; RMG #72144 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(1802); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(147)+C6H10R(90)<=>C3H5L(59)+C6H9R(1802) 2.451710e+27 -4.376 8.605 + +! Reaction index: Chemkin #6285; RMG #72149 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(1802); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H7(156)+C6H10R(90)<=>C4H8(157)+C6H9R(1802) 2.451710e+27 -4.376 8.251 + +! Reaction index: Chemkin #6286; RMG #77546 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C6H10R(171); C6H9R(1802), C6H10R(171); +! From training reaction 2570 used for Cds-CsCs_Cds-CdH;HJ +! Exact match found for rate rule [Cds-CsCs_Cds-CdH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C6H9R(1802)<=>C6H10R(171) 7.170000e+07 1.640 1.180 + +! Reaction index: Chemkin #6287; RMG #82625 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(1802); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(174)+C6H10R(90)<=>C5H8(173)+C6H9R(1802) 2.451710e+27 -4.376 10.947 + +! Reaction index: Chemkin #6288; RMG #83350 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(1802); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H7(178)+C6H10R(90)<=>C5H8(180)+C6H9R(1802) 2.451710e+27 -4.376 10.255 + +! Reaction index: Chemkin #6289; RMG #144140 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(1802); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C6H10R(90)<=>C6H8(118)+C6H9R(1802) 1.225850e+27 -4.376 10.947 + +! Reaction index: Chemkin #6290; RMG #144143 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(1802); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C6H10R(90)<=>C6H8(18175)+C6H9R(1802) 1.225850e+27 -4.376 13.349 + +! Reaction index: Chemkin #6291; RMG #144145 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(1802); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(239)+C6H10R(90)<=>C6H8(290)+C6H9R(1802) 1.225850e+27 -4.376 11.938 + +! Reaction index: Chemkin #6292; RMG #271934 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(65); C6H8R(287), C6H9R(1802); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+RC10L(1)<=>C6H9R(1802)+C9H17LR(65) 6.950000e-03 4.340 19.090 + +! Reaction index: Chemkin #6293; RMG #271935 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(69); C6H8R(287), C6H9R(1802); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+RC10L(1)<=>C6H9R(1802)+C9H17LR(69) 6.950000e-03 4.340 19.090 + +! Reaction index: Chemkin #6294; RMG #271936 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(66), RC10L(1); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C9H17LR(66)<=>C6H8R(287)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6295; RMG #271937 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(68), RC10L(1); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C9H17LR(68)<=>C6H8R(287)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6296; RMG #271938 +! Template reaction: H_Abstraction +! Flux pairs: RC10L(1), C9H17LR(72); C6H8R(287), C6H9R(1802); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+RC10L(1)<=>C6H9R(1802)+C9H17LR(72) 6.950000e-03 4.340 19.090 + +! Reaction index: Chemkin #6297; RMG #271939 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(73), RC10L(1); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C9H17LR(73)<=>C6H8R(287)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6298; RMG #271940 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(71), RC10L(1); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C9H17LR(71)<=>C6H8R(287)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6299; RMG #271941 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(67), RC10L(1); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C9H17LR(67)<=>C6H8R(287)+RC10L(1) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6300; RMG #271942 +! Template reaction: H_Abstraction +! Flux pairs: C9H17LR(70), RC10L(1); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C9H17LR(70)<=>C6H8R(287)+RC10L(1) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6301; RMG #271968 +! Template reaction: H_Abstraction +! Flux pairs: C10H20R(64), RC10(2); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C10H20R(64)<=>C6H8R(287)+RC10(2) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6302; RMG #271994 +! Template reaction: H_Abstraction +! Flux pairs: C10H20L(76), LC10(3); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C10H20L(76)<=>C6H8R(287)+LC10(3) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6303; RMG #272004 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C3H4R(78), C3H5R(12); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C6H9R(1802)<=>C3H5R(12)+C6H8R(287) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6304; RMG #272013 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C6H9R(1802)<=>CC(C)L(13)+C6H8R(287) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6305; RMG #272035 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C6H9R(1802)<=>CCCC(C)L(16)+C6H8R(287) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6306; RMG #272054 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(17); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C6H10R(171)<=>C6H8R(287)+C6H11R(17) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6307; RMG #272080 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(1802); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C6H8R(287)<=>C3H5(102)+C6H9R(1802) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #6308; RMG #272104 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C6H9R(1802)<=>CC(C)CR(20)+C6H8R(287) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6309; RMG #272136 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C6H9R(1802)<=>CR(22)+C6H8R(287) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6310; RMG #272153 +! Template reaction: H_Abstraction +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C7H14R(9)<=>C6H8R(287)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6311; RMG #272168 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C5H8L(89), C5H9L(24); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C6H9R(1802)<=>C5H9L(24)+C6H8R(287) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6312; RMG #272186 +! Template reaction: H_Abstraction +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C6H12L(11)<=>C6H8R(287)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6313; RMG #272192 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C6H9R(1802)<=>CCL(26)+C6H8R(287) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6314; RMG #272198 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C6H9R(1802)<=>CCCR(27)+C6H8R(287) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6315; RMG #272358 +! Template reaction: H_Abstraction +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C[CH]CC(C)CR(5)<=>C6H8R(287)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6316; RMG #272404 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(1802); CC(L)CC(C)L(35), C5H9L2(203); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C6H8R(287)<=>C5H9L2(203)+C6H9R(1802) 1.390000e-02 4.340 19.090 + +! Reaction index: Chemkin #6317; RMG #272800 +! Template reaction: H_Abstraction +! Flux pairs: C8H16L(15), C8H17L(49); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C8H16L(15)<=>C6H8R(287)+C8H17L(49) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6318; RMG #272836 +! Template reaction: H_Abstraction +! Flux pairs: C6H11R(56), C6H10R(90); C6H8R(287), C6H9R(1802); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+C6H11R(56)<=>C6H9R(1802)+C6H10R(90) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #6319; RMG #272839 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(171), C6H11R(56); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C6H10R(171)<=>C6H8R(287)+C6H11R(56) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6320; RMG #272856 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(1802); C5H9L(57), C5H8L(77); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C6H8R(287)<=>C5H8L(77)+C6H9R(1802) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #6321; RMG #272858 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C5H8L(89), C5H9L(57); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C6H9R(1802)<=>C5H9L(57)+C6H8R(287) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6322; RMG #272872 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C6H9R(1802)<=>C3H5R(58)+C6H8R(287) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6323; RMG #272883 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C6H9R(1802)<=>C3H5L(59)+C6H8R(287) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #6324; RMG #272894 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C6H9R(1802)<=>C4H7R(60)+C6H8R(287) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #6325; RMG #272895 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C4H6R(79), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C6H9R(1802)<=>C4H7R(60)+C6H8R(287) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6326; RMG #272918 +! Template reaction: H_Abstraction +! Flux pairs: C8H15L(61), C8H14L(112); C6H8R(287), C6H9R(1802); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+C8H15L(61)<=>C6H9R(1802)+C8H14L(112) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #6327; RMG #272944 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(62); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C7H12R(108)<=>C6H8R(287)+C7H13R(62) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6328; RMG #272965 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(63); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C6H10L(103)<=>C6H8R(287)+C6H11L(63) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6329; RMG #272972 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(1802); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C6H8R(287)<=>CH3(74)+C6H9R(1802) 4.240000e-02 4.340 27.670 + +! Reaction index: Chemkin #6330; RMG #272988 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C6H9R(1802)<=>C4H7R(81)+C6H8R(287) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6331; RMG #272993 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(1802); [H][H](83), H(82); +! From training reaction 790 used for H2;C_rad/H/CdCs +! Exact match found for rate rule [H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +! Ea raised from 112.1 to 113.1 kJ/mol to match endothermicity of reaction. +! Ea raised from 113.1 to 113.1 kJ/mol to match endothermicity of reaction. +[H][H](83)+C6H8R(287)<=>H(82)+C6H9R(1802) 4.580000e-02 4.340 27.040 + +! Reaction index: Chemkin #6332; RMG #273005 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C5H8L(77), C5H9L(84); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(77)+C6H9R(1802)<=>C5H9L(84)+C6H8R(287) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6333; RMG #273020 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C6H9R(1802)<=>C3H5L(86)+C6H8R(287) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6334; RMG #273038 +! Template reaction: H_Abstraction +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C7H15(85)<=>C6H8R(287)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6335; RMG #273064 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(1802); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C6H8R(287)<=>C[CH]C(94)+C6H9R(1802) 1.476000e-02 4.340 21.145 + +! Reaction index: Chemkin #6336; RMG #273065 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C6H9R(1802)<=>CCC(95)+C6H8R(287) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6337; RMG #273079 +! Template reaction: H_Abstraction +! Flux pairs: C6H10R(90), C6H11R(98); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C6H10R(90)<=>C6H8R(287)+C6H11R(98) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6338; RMG #273149 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(107), C6H10L(169); C6H8R(287), C6H9R(1802); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+C6H11L(107)<=>C6H9R(1802)+C6H10L(169) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #6339; RMG #273151 +! Template reaction: H_Abstraction +! Flux pairs: C6H10L(103), C6H11L(107); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C6H10L(103)<=>C6H8R(287)+C6H11L(107) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6340; RMG #273173 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(113), C6H10(110); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C6H9(113)<=>C6H8R(287)+C6H10(110) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6341; RMG #273233 +! Library reaction: restart_edge +! Flux pairs: C6H9(114), C6H9R(1802); C6H8R(287), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C6H9(114)<=>C6H8(125)+C6H9R(1802) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6342; RMG #273234 +! Library reaction: restart_edge +! Flux pairs: C6H9(114), C6H9R(1802); C6H8R(287), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C6H9(114)<=>C6H8(290)+C6H9R(1802) 1.225850e+27 -4.376 12.818 + +! Reaction index: Chemkin #6343; RMG #273241 +! Library reaction: restart_edge +! Flux pairs: C6H9(114), C6H9R(1802); C6H8R(287), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C6H9(114)<=>C6H8(118)+C6H9R(1802) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6344; RMG #273298 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(160), C6H10(116); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H9R(1802)+C6H9(160)<=>C6H8R(287)+C6H10(116) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #6345; RMG #273299 +! Template reaction: H_Abstraction +! Flux pairs: C6H9(114), C6H10(116); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C6H9(114)<=>C6H8R(287)+C6H10(116) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6346; RMG #273387 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(1802); C6H8(118), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C6H8R(287)<=>C6H7(123)+C6H9R(1802) 1.962000e-03 4.340 7.430 + +! Reaction index: Chemkin #6347; RMG #273388 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C6H7(239), C6H8(118); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H7(239)+C6H9R(1802)<=>C6H8(118)+C6H8R(287) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6348; RMG #273408 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(120), C7H12R(199); C6H8R(287), C6H9R(1802); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+C7H13R(120)<=>C6H9R(1802)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #6349; RMG #273411 +! Template reaction: H_Abstraction +! Flux pairs: C7H12R(108), C7H13R(120); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C7H12R(108)<=>C6H8R(287)+C7H13R(120) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6350; RMG #273432 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(1802); C6H8(125), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C6H8R(287)<=>C6H7(123)+C6H9R(1802) 1.962000e-03 4.340 7.080 + +! Reaction index: Chemkin #6351; RMG #273505 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C6H9R(1802)<=>C4H8(157)+C6H8R(287) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #6352; RMG #273513 +! Library reaction: restart_edge +! Flux pairs: C6H9(160), C6H9R(1802); C6H8R(287), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H8R(287)+C6H9(160)<=>C6H8(125)+C6H9R(1802) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #6353; RMG #273562 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C5H7(174), C5H8(173); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H7(174)+C6H9R(1802)<=>C5H8(173)+C6H8R(287) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #6354; RMG #273588 +! Library reaction: restart_edge +! Flux pairs: C6H8R(287), C6H9R(1802); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H8R(287)<=>C5H6(187)+C6H9R(1802) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #6355; RMG #273625 +! Template reaction: H_Abstraction +! Flux pairs: C10H13(202), C10H14(179); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C10H13(202)<=>C6H8R(287)+C10H14(179) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6356; RMG #273646 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C5H7(178), C5H8(180); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H7(178)+C6H9R(1802)<=>C5H8(180)+C6H8R(287) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #6357; RMG #273679 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(1802); C5H6(187), C5H5(189); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C6H8R(287)<=>C5H5(189)+C6H9R(1802) 1.962000e-03 4.340 7.502 + +! Reaction index: Chemkin #6358; RMG #274050 +! Template reaction: H_Abstraction +! Flux pairs: C11H15(234), C11H16(229); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C11H15(234)<=>C6H8R(287)+C11H16(229) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6359; RMG #274070 +! Library reaction: restart_edge +! Flux pairs: C6H8R(287), C6H9R(1802); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H8R(287)<=>C6H6(252)+C6H9R(1802) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6360; RMG #274695 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H9R(285); C6H8R(287), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8R(287)+C6H9R(1802)<=>C6H8R(287)+C6H9R(285) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6361; RMG #279699 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(1802); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C6H8R(287)<=>C6H7(239)+C6H9R(1802) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6362; RMG #285386 +! Library reaction: restart_edge +! Flux pairs: C6H8R(287), C6H9R(1802); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H8R(287)<=>C2H3L(19)+C6H9R(1802) 1.225850e+27 -4.376 8.888 + +! Reaction index: Chemkin #6363; RMG #285472 +! Library reaction: restart_edge +! Flux pairs: C6H8R(287), C6H9R(1802); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C6H8R(287)<=>C5H7L(262)+C6H9R(1802) 1.225850e+27 -4.376 11.760 + +! Reaction index: Chemkin #6364; RMG #285503 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(285); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C6H10R(90)<=>C6H9R(1802)+C6H9R(285) 1.547940e+12 0.025 0.000 +DUPLICATE + +! Reaction index: Chemkin #6365; RMG #285507 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(285); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C6H10R(90)<=>C6H9R(1802)+C6H9R(285) 1.225850e+27 -4.376 10.947 +DUPLICATE + +! Reaction index: Chemkin #6366; RMG #285511 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H9R(1802); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C6H10R(90)<=>C6H9R(1802)+C6H9R(1802) 1.225850e+27 -4.376 11.760 + +! Reaction index: Chemkin #6367; RMG #295164 +! Library reaction: restart_edge +! Flux pairs: C6H8R(287), C6H9R(1802); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H8R(287)<=>C3H5R(58)+C6H9R(1802) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6368; RMG #295165 +! Library reaction: restart_edge +! Flux pairs: C6H8R(287), C6H9R(1802); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H8R(287)<=>C3H5R(12)+C6H9R(1802) 1.225850e+27 -4.376 8.888 + +! Reaction index: Chemkin #6369; RMG #350005 +! Template reaction: H_Abstraction +! Flux pairs: C6H11L(325), C6H10L(169); C6H8R(287), C6H9R(1802); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+C6H11L(325)<=>C6H9R(1802)+C6H10L(169) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #6370; RMG #371328 +! Template reaction: H_Abstraction +! Flux pairs: C7H13R(330), C7H12R(199); C6H8R(287), C6H9R(1802); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H8R(287)+C7H13R(330)<=>C6H9R(1802)+C7H12R(199) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #6371; RMG #393269 +! Library reaction: restart_edge +! Flux pairs: C6H8R(287), C6H9R(1802); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C6H8R(287)<=>C3H6(18)+C6H9R(1802) 2.451710e+27 -4.376 8.769 + +! Reaction index: Chemkin #6372; RMG #393325 +! Library reaction: restart_edge +! Flux pairs: C6H8R(287), C6H9R(1802); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C6H8R(287)<=>C6H6(252)+C6H9R(1802) 1.225850e+27 -4.376 12.991 + +! Reaction index: Chemkin #6373; RMG #408626 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H9R(1802); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H7(239)+C6H10R(171)<=>C6H8(118)+C6H9R(1802) 7.830000e+11 0.000 1.042 + +! Reaction index: Chemkin #6374; RMG #408630 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H9R(1802); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H7(239)+C6H10R(171)<=>C6H8(18175)+C6H9R(1802) 5.258140e+13 -0.550 2.163 + +! Reaction index: Chemkin #6375; RMG #408633 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H9R(1802); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H7(239)+C6H10R(171)<=>C6H8(290)+C6H9R(1802) 5.258140e+13 -0.550 1.466 + +! Reaction index: Chemkin #6376; RMG #409808 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C6H9R(1802)<=>CC(C)C(29484)+C6H8R(287) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6377; RMG #468439 +! Template reaction: H_Abstraction +! Flux pairs: C6H8R(287), C6H9R(1802); C6H8(18175), C6H7(239); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C6H8R(287)<=>C6H7(239)+C6H9R(1802) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #6378; RMG #509806 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C12H15(18406), C12H16(18680); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C12H15(18406)<=>C6H8R(287)+C12H16(18680) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6379; RMG #640762 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C11H13(18468), C11H14(18772); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C11H13(18468)<=>C6H8R(287)+C11H14(18772) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6380; RMG #648986 +! Template reaction: R_Recombination +! Flux pairs: C6H8R(287), C6H9R(1802); H(82), C6H9R(1802); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R +H(82)+C6H8R(287)<=>C6H9R(1802) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #6381; RMG #648991 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(65), RC10L(1); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C9H17LR(65)<=>C6H9R(1802)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6382; RMG #648994 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(65), RC10L(1); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C9H17LR(65)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 6.578 + +! Reaction index: Chemkin #6383; RMG #648995 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(69), RC10L(1); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C9H17LR(69)<=>C6H9R(1802)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6384; RMG #648998 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(69), RC10L(1); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C9H17LR(69)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 6.578 + +! Reaction index: Chemkin #6385; RMG #648999 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(66), RC10L(1); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C9H17LR(66)<=>C6H9R(1802)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6386; RMG #649002 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(66), RC10L(1); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C9H17LR(66)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #6387; RMG #649003 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(68), RC10L(1); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C9H17LR(68)<=>C6H9R(1802)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6388; RMG #649006 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(68), RC10L(1); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C9H17LR(68)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #6389; RMG #649007 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(72), RC10L(1); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C9H17LR(72)<=>C6H9R(1802)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6390; RMG #649010 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(72), RC10L(1); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C9H17LR(72)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 6.578 + +! Reaction index: Chemkin #6391; RMG #649011 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(73), RC10L(1); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H10R(171)+C9H17LR(73)<=>C6H9R(1802)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #6392; RMG #649014 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(73), RC10L(1); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C9H17LR(73)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #6393; RMG #649015 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(71), RC10L(1); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H10R(171)+C9H17LR(71)<=>C6H9R(1802)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #6394; RMG #649018 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(71), RC10L(1); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C9H17LR(71)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #6395; RMG #649019 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(67), RC10L(1); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C9H17LR(67)<=>C6H9R(1802)+RC10L(1) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6396; RMG #649022 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(67), RC10L(1); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C9H17LR(67)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #6397; RMG #649023 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(70), RC10L(1); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H10R(171)+C9H17LR(70)<=>C6H9R(1802)+RC10L(1) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #6398; RMG #649026 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(70), RC10L(1); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C9H17LR(70)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #6399; RMG #649059 +! Template reaction: Disproportionation +! Flux pairs: C10H20R(64), RC10(2); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C10H20R(64)<=>C6H9R(1802)+RC10(2) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6400; RMG #649062 +! Template reaction: Disproportionation +! Flux pairs: C10H20R(64), RC10(2); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C10H20R(64)<=>C6H9R(1802)+RC10(2) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #6401; RMG #649095 +! Template reaction: Disproportionation +! Flux pairs: C10H20L(76), LC10(3); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C10H20L(76)<=>C6H9R(1802)+LC10(3) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6402; RMG #649098 +! Template reaction: Disproportionation +! Flux pairs: C10H20L(76), LC10(3); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C10H20L(76)<=>C6H9R(1802)+LC10(3) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #6403; RMG #649099 +! Template reaction: Disproportionation +! Flux pairs: C3H4R(78), C6H9R(1802); C6H10R(171), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C3H4R(78)+C6H10R(171)<=>C3H5R(12)+C6H9R(1802) 5.258140e+13 -0.550 0.505 + +! Reaction index: Chemkin #6404; RMG #649123 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H9R(1802); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C6H10R(171)<=>CC(C)L(13)+C6H9R(1802) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #6405; RMG #649126 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)L(4)+C6H10R(90)<=>CC(C)L(13)+C6H9R(1802) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #6406; RMG #649135 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H9R(1802); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]CC(C)L(7)+C6H10R(171)<=>CCCC(C)L(16)+C6H9R(1802) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6407; RMG #649138 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H10R(90)<=>CCCC(C)L(16)+C6H9R(1802) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #6408; RMG #649151 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H11R(17); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C6H10R(171)<=>C6H9R(1802)+C6H11R(17) 5.258140e+13 -0.550 0.551 + +! Reaction index: Chemkin #6409; RMG #649154 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H11R(17); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C6H10R(90)<=>C6H9R(1802)+C6H11R(17) 1.225854e+27 -4.376 9.560 + +! Reaction index: Chemkin #6410; RMG #649177 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C[CH]CC(C)CR(5)<=>C6H9R(1802)+C6H11R(17) 1.225854e+27 -4.376 8.674 + +! Reaction index: Chemkin #6411; RMG #649181 +! Template reaction: Disproportionation +! Flux pairs: C3H5(102), C6H9R(1802); C6H10R(171), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C3H5(102)+C6H10R(171)<=>C3H6(18)+C6H9R(1802) 1.566000e+12 0.000 0.301 + +! Reaction index: Chemkin #6412; RMG #649193 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(287), C6H9R(1802); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H8R(287)<=>C3H6(18)+C6H9R(1802) 2.105300e+14 -0.550 0.461 + +! Reaction index: Chemkin #6413; RMG #649226 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H9R(1802); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)CR(6)+C6H10R(171)<=>CC(C)CR(20)+C6H9R(1802) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #6414; RMG #649229 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)CR(6)+C6H10R(90)<=>CC(C)CR(20)+C6H9R(1802) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #6415; RMG #649268 +! Template reaction: Disproportionation +! Flux pairs: C8H16L(15), C8H15L(21); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C8H16L(15)<=>C6H9R(1802)+C8H15L(21) 1.225854e+27 -4.376 8.674 + +! Reaction index: Chemkin #6416; RMG #649272 +! Template reaction: Disproportionation +! Flux pairs: [CH2]R(14), CR(22); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]R(14)+C6H10R(171)<=>CR(22)+C6H9R(1802) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #6417; RMG #649275 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]R(14)+C6H10R(90)<=>CR(22)+C6H9R(1802) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #6418; RMG #649296 +! Template reaction: Disproportionation +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H10R(171)+C7H14R(9)<=>C6H9R(1802)+CC(C)CC(C)CR(23) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #6419; RMG #649299 +! Template reaction: Disproportionation +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C7H14R(9)<=>C6H9R(1802)+CC(C)CC(C)CR(23) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #6420; RMG #649304 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H9R(1802); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C6H10R(171)<=>C5H9L(24)+C6H9R(1802) 5.258140e+13 -0.550 0.551 + +! Reaction index: Chemkin #6421; RMG #649325 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(287), C6H9R(1802); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C6H8R(287)<=>C5H9L(24)+C6H9R(1802) 1.225854e+27 -4.376 8.674 + +! Reaction index: Chemkin #6422; RMG #649341 +! Template reaction: Disproportionation +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H10R(171)+C6H12L(11)<=>C6H9R(1802)+CC(C)CC(C)L(25) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #6423; RMG #649344 +! Template reaction: Disproportionation +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C6H12L(11)<=>C6H9R(1802)+CC(C)CC(C)L(25) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #6424; RMG #649353 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H9R(1802); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]L(8)+C6H10R(171)<=>CCL(26)+C6H9R(1802) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6425; RMG #649356 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C6H10R(90)<=>CCL(26)+C6H9R(1802) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #6426; RMG #649357 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CR(10), CCCR(27); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]CR(10)+C6H10R(171)<=>CCCR(27)+C6H9R(1802) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6427; RMG #649360 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C6H10R(90)<=>CCCR(27)+C6H9R(1802) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #6428; RMG #649497 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C[CH]CC(C)CR(5)<=>C6H9R(1802)+CCCC(C)CR(32) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6429; RMG #649500 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C[CH]CC(C)CR(5)<=>C6H9R(1802)+CCCC(C)CR(32) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #6430; RMG #649557 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H9R(1802); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H9L2(203)+C6H10R(171)<=>CC(L)CC(C)L(35)+C6H9R(1802) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6431; RMG #649560 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H9L2(203)+C6H10R(90)<=>CC(L)CC(C)L(35)+C6H9R(1802) 1.225854e+27 -4.376 6.578 + +! Reaction index: Chemkin #6432; RMG #649889 +! Template reaction: Disproportionation +! Flux pairs: C8H16L(15), C8H17L(49); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C8H16L(15)<=>C6H9R(1802)+C8H17L(49) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6433; RMG #649892 +! Template reaction: Disproportionation +! Flux pairs: C8H16L(15), C8H17L(49); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C8H16L(15)<=>C6H9R(1802)+C8H17L(49) 1.225854e+27 -4.376 6.150 + +! Reaction index: Chemkin #6434; RMG #649929 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C6H10R(90)<=>C6H9R(1802)+C6H11R(56) 5.258140e+13 -0.550 0.671 +DUPLICATE + +! Reaction index: Chemkin #6435; RMG #649940 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H11R(56); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C6H10R(171)<=>C6H9R(1802)+C6H11R(56) 1.566000e+12 0.000 0.294 + +! Reaction index: Chemkin #6436; RMG #649943 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H11R(56); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(171)+C6H10R(90)<=>C6H9R(1802)+C6H11R(56) 1.225854e+27 -4.376 8.605 +DUPLICATE + +! Reaction index: Chemkin #6437; RMG #649953 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C[CH]CC(C)CR(5)<=>C6H9R(1802)+C6H11R(56) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6438; RMG #649962 +! Template reaction: Disproportionation +! Flux pairs: C5H8L(77), C6H9R(1802); C6H10R(171), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(77)+C6H10R(171)<=>C5H9L(57)+C6H9R(1802) 5.258140e+13 -0.550 0.671 + +! Reaction index: Chemkin #6439; RMG #649969 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H9R(1802); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C5H8L(89)+C6H10R(171)<=>C5H9L(57)+C6H9R(1802) 7.830000e+11 0.000 0.294 + +! Reaction index: Chemkin #6440; RMG #649981 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(287), C6H9R(1802); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H8R(287)<=>C5H9L(57)+C6H9R(1802) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6441; RMG #649990 +! Template reaction: Disproportionation +! Flux pairs: C3H4R(78), C6H9R(1802); C6H10R(171), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C3H4R(78)+C6H10R(171)<=>C3H5R(58)+C6H9R(1802) 7.830000e+11 0.000 0.294 + +! Reaction index: Chemkin #6442; RMG #650010 +! Template reaction: Disproportionation +! Flux pairs: C3H4L(147), C6H9R(1802); C6H10R(171), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C3H4L(147)+C6H10R(171)<=>C3H5L(59)+C6H9R(1802) 1.566000e+12 0.000 0.294 + +! Reaction index: Chemkin #6443; RMG #650018 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(287), C6H9R(1802); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C6H8R(287)<=>C3H5L(59)+C6H9R(1802) 5.258140e+13 -0.550 0.368 + +! Reaction index: Chemkin #6444; RMG #650027 +! Template reaction: Disproportionation +! Flux pairs: C4H6R(224), C6H9R(1802); C6H10R(171), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C4H6R(224)+C6H10R(171)<=>C4H7R(60)+C6H9R(1802) 1.566000e+12 0.000 0.294 + +! Reaction index: Chemkin #6445; RMG #650030 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(224)+C6H10R(90)<=>C4H7R(60)+C6H9R(1802) 2.451708e+27 -4.376 8.605 + +! Reaction index: Chemkin #6446; RMG #650031 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H9R(1802); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C4H6R(79)+C6H10R(171)<=>C4H7R(60)+C6H9R(1802) 5.258140e+13 -0.550 0.505 + +! Reaction index: Chemkin #6447; RMG #650039 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(287), C6H9R(1802); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C6H8R(287)<=>C4H7R(60)+C6H9R(1802) 5.258140e+13 -0.550 0.368 + +! Reaction index: Chemkin #6448; RMG #650048 +! Template reaction: Disproportionation +! Flux pairs: C8H14L(112), C6H9R(1802); C6H10R(171), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C8H14L(112)<=>C6H9R(1802)+C8H15L(61) 5.258140e+13 -0.550 0.671 + +! Reaction index: Chemkin #6449; RMG #650051 +! Template reaction: Disproportionation +! Flux pairs: C8H14L(112), C8H15L(61); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C8H14L(112)<=>C6H9R(1802)+C8H15L(61) 1.225854e+27 -4.376 9.934 + +! Reaction index: Chemkin #6450; RMG #650081 +! Template reaction: Disproportionation +! Flux pairs: C8H16L(15), C8H15L(61); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C8H16L(15)<=>C6H9R(1802)+C8H15L(61) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6451; RMG #650094 +! Template reaction: Disproportionation +! Flux pairs: C7H12R(108), C7H13R(62); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C7H12R(108)<=>C6H9R(1802)+C7H13R(62) 5.258140e+13 -0.550 0.551 + +! Reaction index: Chemkin #6452; RMG #650114 +! Template reaction: Disproportionation +! Flux pairs: C7H14R(9), C7H13R(62); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H8R(287)+C7H14R(9)<=>C6H9R(1802)+C7H13R(62) 5.258140e+13 -0.550 0.314 + +! Reaction index: Chemkin #6453; RMG #650127 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H11L(63); C6H10L(103), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10L(103)+C6H10R(171)<=>C6H9R(1802)+C6H11L(63) 5.258140e+13 -0.550 0.551 + +! Reaction index: Chemkin #6454; RMG #650143 +! Template reaction: Disproportionation +! Flux pairs: C6H12L(11), C6H11L(63); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H8R(287)+C6H12L(11)<=>C6H9R(1802)+C6H11L(63) 5.258140e+13 -0.550 0.314 + +! Reaction index: Chemkin #6455; RMG #650152 +! Template reaction: Disproportionation +! Flux pairs: CH3(74), C(75); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C +CH3(74)+C6H10R(171)<=>C(75)+C6H9R(1802) 3.543620e+12 -0.187 0.000 + +! Reaction index: Chemkin #6456; RMG #650155 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3(74)+C6H10R(90)<=>C(75)+C6H9R(1802) 1.225854e+27 -4.376 4.826 + +! Reaction index: Chemkin #6457; RMG #650172 +! Template reaction: Disproportionation +! Flux pairs: C4H6R(79), C6H9R(1802); C6H10R(171), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C4H6R(79)+C6H10R(171)<=>C4H7R(81)+C6H9R(1802) 7.830000e+11 0.000 0.294 + +! Reaction index: Chemkin #6458; RMG #650189 +! Template reaction: Disproportionation +! Flux pairs: H(82), [H][H](83); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H +H(82)+C6H10R(171)<=>[H][H](83)+C6H9R(1802) 9.040000e+11 0.000 0.000 + +! Reaction index: Chemkin #6459; RMG #650192 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(82)+C6H10R(90)<=>[H][H](83)+C6H9R(1802) 1.225854e+27 -4.376 4.989 + +! Reaction index: Chemkin #6460; RMG #650193 +! Template reaction: Disproportionation +! Flux pairs: C5H8L(77), C6H9R(1802); C6H10R(171), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(77)+C6H10R(171)<=>C5H9L(84)+C6H9R(1802) 5.258140e+13 -0.550 0.547 + +! Reaction index: Chemkin #6461; RMG #650218 +! Template reaction: Disproportionation +! Flux pairs: C3H4L(219), C6H9R(1802); C6H10R(171), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C3H4L(219)+C6H10R(171)<=>C3H5L(86)+C6H9R(1802) 7.830000e+11 0.000 0.294 + +! Reaction index: Chemkin #6462; RMG #650221 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C3H4L(219)+C6H10R(90)<=>C3H5L(86)+C6H9R(1802) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #6463; RMG #650248 +! Template reaction: Disproportionation +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H10R(171)+C7H15(85)<=>C6H9R(1802)+CC(C)CC(C)C(87) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #6464; RMG #650251 +! Template reaction: Disproportionation +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C7H15(85)<=>C6H9R(1802)+CC(C)CC(C)C(87) 1.225854e+27 -4.376 5.597 + +! Reaction index: Chemkin #6465; RMG #650304 +! Template reaction: Disproportionation +! Flux pairs: C[CH]C(94), CCC(95); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C[CH]C(94)+C6H10R(171)<=>CCC(95)+C6H9R(1802) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #6466; RMG #650307 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]C(94)+C6H10R(90)<=>CCC(95)+C6H9R(1802) 1.225854e+27 -4.376 6.128 + +! Reaction index: Chemkin #6467; RMG #650308 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H9R(1802); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]CC(195)+C6H10R(171)<=>CCC(95)+C6H9R(1802) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #6468; RMG #650311 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]CC(195)+C6H10R(90)<=>CCC(95)+C6H9R(1802) 1.225854e+27 -4.376 5.501 + +! Reaction index: Chemkin #6469; RMG #650312 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); C6H10R(171), C6H11R(98); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C6H10R(90)<=>C6H9R(1802)+C6H11R(98) 5.258140e+13 -0.550 0.547 + +! Reaction index: Chemkin #6470; RMG #650421 +! Template reaction: Disproportionation +! Flux pairs: C6H10L(169), C6H9R(1802); C6H10R(171), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C6H10L(169)<=>C6H9R(1802)+C6H11L(107) 5.258140e+13 -0.550 0.671 + +! Reaction index: Chemkin #6471; RMG #650424 +! Template reaction: Disproportionation +! Flux pairs: C6H10L(169), C6H11L(107); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C6H10L(169)<=>C6H9R(1802)+C6H11L(107) 1.225854e+27 -4.376 9.934 + +! Reaction index: Chemkin #6472; RMG #650429 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H11L(107); C6H10L(103), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H10L(103)+C6H10R(171)<=>C6H9R(1802)+C6H11L(107) 7.830000e+11 0.000 0.294 + +! Reaction index: Chemkin #6473; RMG #650450 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H10(110); C6H9(113), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H9(113)+C6H10R(171)<=>C6H9R(1802)+C6H10(110) 7.830000e+11 0.000 1.085 + +! Reaction index: Chemkin #6474; RMG #650593 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H10(116); C6H9(160), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C6H9(160)+C6H10R(171)<=>C6H9R(1802)+C6H10(116) 1.051628e+14 -0.550 0.781 + +! Reaction index: Chemkin #6475; RMG #650596 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H10(116); C6H9(160), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(160)+C6H10R(90)<=>C6H9R(1802)+C6H10(116) 2.451708e+27 -4.376 10.255 + +! Reaction index: Chemkin #6476; RMG #650597 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H10(116); C6H9(114), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H9(114)+C6H10R(171)<=>C6H9R(1802)+C6H10(116) 5.258140e+13 -0.550 0.781 + +! Reaction index: Chemkin #6477; RMG #650648 +! Template reaction: Disproportionation +! Flux pairs: C6H7(123), C6H9R(1802); C6H10R(171), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C6H7(123)+C6H10R(171)<=>C6H8(118)+C6H9R(1802) 1.051628e+14 -0.550 0.540 + +! Reaction index: Chemkin #6478; RMG #650651 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C6H10R(90)<=>C6H8(118)+C6H9R(1802) 2.451708e+27 -4.376 9.523 + +! Reaction index: Chemkin #6479; RMG #650685 +! Template reaction: Disproportionation +! Flux pairs: C7H12R(199), C6H9R(1802); C6H10R(171), C7H13R(120); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C7H12R(199)<=>C6H9R(1802)+C7H13R(120) 5.258140e+13 -0.550 0.671 + +! Reaction index: Chemkin #6480; RMG #650688 +! Template reaction: Disproportionation +! Flux pairs: C7H12R(199), C7H13R(120); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C7H12R(199)<=>C6H9R(1802)+C7H13R(120) 1.225854e+27 -4.376 9.934 + +! Reaction index: Chemkin #6481; RMG #650697 +! Template reaction: Disproportionation +! Flux pairs: C7H12R(108), C7H13R(120); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H10R(171)+C7H12R(108)<=>C6H9R(1802)+C7H13R(120) 7.830000e+11 0.000 0.294 + +! Reaction index: Chemkin #6482; RMG #650714 +! Template reaction: Disproportionation +! Flux pairs: C6H7(123), C6H9R(1802); C6H10R(171), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C6H7(123)+C6H10R(171)<=>C6H8(125)+C6H9R(1802) 1.051628e+14 -0.550 0.571 + +! Reaction index: Chemkin #6483; RMG #650717 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(123)+C6H10R(90)<=>C6H8(125)+C6H9R(1802) 2.451708e+27 -4.376 9.622 + +! Reaction index: Chemkin #6484; RMG #650796 +! Template reaction: Disproportionation +! Flux pairs: C4H7(156), C6H9R(1802); C6H10R(171), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C4H7(156)+C6H10R(171)<=>C4H8(157)+C6H9R(1802) 1.566000e+12 0.000 0.217 + +! Reaction index: Chemkin #6485; RMG #650804 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(287), C6H9R(1802); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C6H8R(287)<=>C4H8(157)+C6H9R(1802) 5.258140e+13 -0.550 0.304 + +! Reaction index: Chemkin #6486; RMG #650857 +! Template reaction: Disproportionation +! Flux pairs: C5H7(174), C6H9R(1802); C6H10R(171), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(174)+C6H10R(171)<=>C5H8(173)+C6H9R(1802) 1.566000e+12 0.000 1.042 + +! Reaction index: Chemkin #6487; RMG #650900 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H9R(1802); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C5H7(178)+C6H10R(171)<=>C5H8(180)+C6H9R(1802) 1.051628e+14 -0.550 0.781 + +! Reaction index: Chemkin #6488; RMG #650912 +! Template reaction: Disproportionation +! Flux pairs: C5H5(189), C6H9R(1802); C6H10R(171), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +! Multiplied by reaction path degeneracy 5.0 +C5H5(189)+C6H10R(171)<=>C5H6(187)+C6H9R(1802) 2.629070e+14 -0.550 0.534 + +! Reaction index: Chemkin #6489; RMG #650915 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 15.0 +C5H5(189)+C6H10R(90)<=>C5H6(187)+C6H9R(1802) 6.129270e+27 -4.376 9.503 + +! Reaction index: Chemkin #6490; RMG #651087 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(287), C6H9R(1802); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C6H8R(287)<=>C5H7L(262)+C6H9R(1802) 5.258140e+13 -0.550 1.386 + +! Reaction index: Chemkin #6491; RMG #651109 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H9R(285); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C6H8R(287)+C6H10R(171)<=>C6H9R(1802)+C6H9R(285) 7.830000e+11 0.000 1.042 + +! Reaction index: Chemkin #6492; RMG #651180 +! Template reaction: Disproportionation +! Flux pairs: C6H10L(169), C6H9R(1802); C6H10R(171), C6H11L(325); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C6H10L(169)<=>C6H9R(1802)+C6H11L(325) 5.258140e+13 -0.550 0.687 + +! Reaction index: Chemkin #6493; RMG #651183 +! Template reaction: Disproportionation +! Flux pairs: C6H10L(169), C6H11L(325); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C6H10L(169)<=>C6H9R(1802)+C6H11L(325) 1.225854e+27 -4.376 9.983 + +! Reaction index: Chemkin #6494; RMG #651206 +! Template reaction: Disproportionation +! Flux pairs: C7H12R(199), C6H9R(1802); C6H10R(171), C7H13R(330); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C7H12R(199)<=>C6H9R(1802)+C7H13R(330) 5.258140e+13 -0.550 0.687 + +! Reaction index: Chemkin #6495; RMG #651209 +! Template reaction: Disproportionation +! Flux pairs: C7H12R(199), C7H13R(330); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C7H12R(199)<=>C6H9R(1802)+C7H13R(330) 1.225854e+27 -4.376 9.983 + +! Reaction index: Chemkin #6496; RMG #651240 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H9R(1802); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)C(399)+C6H10R(171)<=>CC(C)C(29484)+C6H9R(1802) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #6497; RMG #651243 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[CH2]C(C)C(399)+C6H10R(90)<=>CC(C)C(29484)+C6H9R(1802) 1.225854e+27 -4.376 5.437 + +! Reaction index: Chemkin #6498; RMG #651273 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H9R(1802); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H8R(287)+C6H10R(171)<=>C6H9R(1802)+C6H9R(1802) 5.258140e+13 -0.550 1.386 + +! Reaction index: Chemkin #6499; RMG #652330 +! Template reaction: Disproportionation +! Flux pairs: C10H13(202), C10H14(179); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C10H13(202)<=>C6H9R(1802)+C10H14(179) 5.258140e+13 -0.550 0.808 + +! Reaction index: Chemkin #6500; RMG #652333 +! Template reaction: Disproportionation +! Flux pairs: C10H13(202), C10H14(179); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C10H13(202)<=>C6H9R(1802)+C10H14(179) 1.225854e+27 -4.376 10.329 + +! Reaction index: Chemkin #6501; RMG #652424 +! Template reaction: Disproportionation +! Flux pairs: C10H15(183), C10H14(184); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C10H15(183)<=>C6H9R(1802)+C10H14(184) 1.225854e+27 -4.376 11.547 + +! Reaction index: Chemkin #6502; RMG #652555 +! Template reaction: Disproportionation +! Flux pairs: C8H13(191), C8H12(194); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C8H13(191)<=>C6H9R(1802)+C8H12(194) 1.225854e+27 -4.376 8.888 + +! Reaction index: Chemkin #6503; RMG #652683 +! Template reaction: Disproportionation +! Flux pairs: C10H13(202), C10H12(201); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C10H13(202)<=>C6H9R(1802)+C10H12(201) 1.350000e+03 2.700 0.150 + +! Reaction index: Chemkin #6504; RMG #652977 +! Template reaction: Disproportionation +! Flux pairs: C11H15(234), C11H16(229); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C11H15(234)<=>C6H9R(1802)+C11H16(229) 5.258140e+13 -0.550 0.781 + +! Reaction index: Chemkin #6505; RMG #652980 +! Template reaction: Disproportionation +! Flux pairs: C11H15(234), C11H16(229); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C11H15(234)<=>C6H9R(1802)+C11H16(229) 1.225854e+27 -4.376 10.255 + +! Reaction index: Chemkin #6506; RMG #653130 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(240); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C10H14R(316)<=>C6H9R(1802)+C10H13R(240) 1.225854e+27 -4.376 8.685 + +! Reaction index: Chemkin #6507; RMG #653215 +! Template reaction: Disproportionation +! Flux pairs: C12H15(283), C12H14(244); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C12H15(283)<=>C6H9R(1802)+C12H14(244) 1.225854e+27 -4.376 12.903 + +! Reaction index: Chemkin #6508; RMG #653295 +! Template reaction: Disproportionation +! Flux pairs: C11H15(18464), C11H14(246); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C11H15(18464)<=>C6H9R(1802)+C11H14(246) 1.225854e+27 -4.376 11.547 + +! Reaction index: Chemkin #6509; RMG #653535 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18389), C12H14(257); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C12H15(18389)<=>C6H9R(1802)+C12H14(257) 1.225854e+27 -4.376 12.903 + +! Reaction index: Chemkin #6510; RMG #653887 +! Template reaction: Disproportionation +! Flux pairs: C12H15(323), C12H16(269); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C12H15(323)<=>C6H9R(1802)+C12H16(269) 5.258140e+13 -0.550 0.808 + +! Reaction index: Chemkin #6511; RMG #653890 +! Template reaction: Disproportionation +! Flux pairs: C12H15(323), C12H16(269); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C12H15(323)<=>C6H9R(1802)+C12H16(269) 1.225854e+27 -4.376 10.329 + +! Reaction index: Chemkin #6512; RMG #654083 +! Template reaction: Disproportionation +! Flux pairs: C11H15(256), C11H14(271); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C11H15(256)<=>C6H9R(1802)+C11H14(271) 1.225854e+27 -4.376 11.547 + +! Reaction index: Chemkin #6513; RMG #654145 +! Template reaction: Disproportionation +! Flux pairs: C9H13(260), C9H12(272); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C9H13(260)<=>C6H9R(1802)+C9H12(272) 1.225854e+27 -4.376 8.888 + +! Reaction index: Chemkin #6514; RMG #654363 +! Template reaction: Disproportionation +! Flux pairs: C11H13(298), C11H14(276); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C11H13(298)<=>C6H9R(1802)+C11H14(276) 5.258140e+13 -0.550 0.808 + +! Reaction index: Chemkin #6515; RMG #654366 +! Template reaction: Disproportionation +! Flux pairs: C11H13(298), C11H14(276); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C11H13(298)<=>C6H9R(1802)+C11H14(276) 1.225854e+27 -4.376 10.329 + +! Reaction index: Chemkin #6516; RMG #654447 +! Template reaction: Disproportionation +! Flux pairs: C12H15(22038), C12H14(277); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C12H15(22038)<=>C6H9R(1802)+C12H14(277) 1.350000e+03 2.700 0.141 + +! Reaction index: Chemkin #6517; RMG #654514 +! Template reaction: Disproportionation +! Flux pairs: C11H15(226), C11H14(278); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C11H15(226)<=>C6H9R(1802)+C11H14(278) 1.225854e+27 -4.376 12.903 + +! Reaction index: Chemkin #6518; RMG #656041 +! Template reaction: Disproportionation +! Flux pairs: C11H13(298), C11H12(329); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C11H13(298)<=>C6H9R(1802)+C11H12(329) 1.350000e+03 2.700 0.150 + +! Reaction index: Chemkin #6519; RMG #656694 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C9H13(311)<=>C6H9R(1802)+C9H12(18323) 1.225854e+27 -4.376 8.888 + +! Reaction index: Chemkin #6520; RMG #657094 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C12H17(266)<=>C6H9R(1802)+C12H16(18380) 1.225854e+27 -4.376 11.760 + +! Reaction index: Chemkin #6521; RMG #657316 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C9H12R(18225)<=>C6H9R(1802)+C9H11R(18275) 1.225854e+27 -4.376 8.528 + +! Reaction index: Chemkin #6522; RMG #657435 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C10H14R(316)<=>C6H9R(1802)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6523; RMG #657518 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C12H15(18406)<=>C6H9R(1802)+C12H16(18680) 5.258140e+13 -0.550 0.808 + +! Reaction index: Chemkin #6524; RMG #657521 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C12H15(18406)<=>C6H9R(1802)+C12H16(18680) 1.225854e+27 -4.376 10.329 + +! Reaction index: Chemkin #6525; RMG #657981 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C11H17(238)<=>C6H9R(1802)+C11H16(11281) 1.225854e+27 -4.376 11.547 + +! Reaction index: Chemkin #6526; RMG #657986 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C11H17(181)<=>C6H9R(1802)+C11H16(11281) 1.225854e+27 -4.376 11.760 + +! Reaction index: Chemkin #6527; RMG #658124 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C9H12L(293)<=>C6H9R(1802)+C9H11L(18431) 1.225854e+27 -4.376 8.685 + +! Reaction index: Chemkin #6528; RMG #658404 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H8R(287)+C11H17(10750)<=>C6H9R(1802)+C11H16(11277) 1.225854e+27 -4.376 11.547 + +! Reaction index: Chemkin #6529; RMG #658608 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H8R(287)+C10H14R(18285)<=>C6H9R(1802)+C10H13R(18278) 2.451708e+27 -4.376 8.759 + +! Reaction index: Chemkin #6530; RMG #658624 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C11H13(18468)<=>C6H9R(1802)+C11H14(18772) 5.258140e+13 -0.550 0.808 + +! Reaction index: Chemkin #6531; RMG #658627 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C11H13(18468)<=>C6H9R(1802)+C11H14(18772) 1.225854e+27 -4.376 10.329 + +! Reaction index: Chemkin #6532; RMG #648951 +! Template reaction: Intra_R_Add_Endocyclic +! Flux pairs: C11H15(18454), C11H15(35245); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R +C11H15(18454)<=>C11H15(35245) 1.053080e+11 0.266 11.337 + +! Reaction index: Chemkin #6533; RMG #18425 +! Library reaction: restart_edge +! Flux pairs: C[CH]L(8), C5H8LR(1393); C3H4R(78), C5H8LR(1393); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R +C[CH]L(8)+C3H4R(78)<=>C5H8LR(1393) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #6534; RMG #63701 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C5H9LR(138); C5H8LR(1393), C5H9LR(138); +! From training reaction 2935 used for Cds-CsH_Cds-CsH;HJ +! Exact match found for rate rule [Cds-CsH_Cds-CsH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C5H8LR(1393)<=>C5H9LR(138) 8.892000e+09 1.073 2.175 + +! Reaction index: Chemkin #6535; RMG #658701 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(65), RC10L(1); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C9H17LR(65)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6536; RMG #658703 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(69), RC10L(1); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C9H17LR(69)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6537; RMG #658705 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(66), RC10L(1); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C9H17LR(66)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6538; RMG #658707 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(68), RC10L(1); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C9H17LR(68)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6539; RMG #658709 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(72), RC10L(1); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C9H17LR(72)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6540; RMG #658711 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(73), RC10L(1); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C9H17LR(73)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6541; RMG #658713 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(71), RC10L(1); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C9H17LR(71)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6542; RMG #658715 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(67), RC10L(1); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C9H17LR(67)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6543; RMG #658717 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(70), RC10L(1); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C9H17LR(70)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6544; RMG #658735 +! Template reaction: Disproportionation +! Flux pairs: C10H20R(64), RC10(2); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C10H20R(64)<=>C5H8LR(1393)+RC10(2) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6545; RMG #658753 +! Template reaction: Disproportionation +! Flux pairs: C10H20L(76), LC10(3); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C10H20L(76)<=>C5H8LR(1393)+LC10(3) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6546; RMG #658755 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C5H9LR(138)<=>C3H5R(12)+C5H8LR(1393) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6547; RMG #658773 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C5H9LR(138)<=>CC(C)L(13)+C5H8LR(1393) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6548; RMG #658779 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C[CH]CC(C)L(7)<=>C5H8LR(1393)+CCCC(C)L(16) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6549; RMG #658787 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H11R(17); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C6H10R(171)<=>C5H8LR(1393)+C6H11R(17) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6550; RMG #658807 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C5H9LR(138)<=>C3H6(18)+C5H8LR(1393) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6551; RMG #658841 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C5H9LR(138)<=>CC(C)CR(20)+C5H8LR(1393) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6552; RMG #658869 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C5H9LR(138)<=>CR(22)+C5H8LR(1393) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6553; RMG #658881 +! Template reaction: Disproportionation +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C7H14R(9)<=>C5H8LR(1393)+CC(C)CC(C)CR(23) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6554; RMG #658885 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H9L(24); C5H8L(89), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C5H9LR(138)<=>C5H8LR(1393)+C5H9L(24) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6555; RMG #658909 +! Template reaction: Disproportionation +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C6H12L(11)<=>C5H8LR(1393)+CC(C)CC(C)L(25) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6556; RMG #658915 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C5H9LR(138)<=>CCL(26)+C5H8LR(1393) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6557; RMG #658917 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C5H9LR(138)<=>CCCR(27)+C5H8LR(1393) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6558; RMG #658987 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C[CH]CC(C)CR(5)<=>C5H8LR(1393)+CCCC(C)CR(32) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6559; RMG #659017 +! Template reaction: Disproportionation +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C5H9L2(203)<=>C5H8LR(1393)+CC(L)CC(C)L(35) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6560; RMG #659183 +! Template reaction: Disproportionation +! Flux pairs: C8H16L(15), C8H17L(49); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C8H16L(15)<=>C5H8LR(1393)+C8H17L(49) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6561; RMG #659215 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H11R(56); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C6H10R(90)<=>C5H8LR(1393)+C6H11R(56) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6562; RMG #659221 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H11R(56); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C6H10R(171)<=>C5H8LR(1393)+C6H11R(56) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6563; RMG #659237 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H9L(57); C5H8L(77), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C5H9LR(138)<=>C5H8LR(1393)+C5H9L(57) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6564; RMG #659241 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H9L(57); C5H8L(89), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C5H9LR(138)<=>C5H8LR(1393)+C5H9L(57) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6565; RMG #659257 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C5H9LR(138)<=>C3H5R(58)+C5H8LR(1393) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6566; RMG #659273 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C5H9LR(138)<=>C3H5L(59)+C5H8LR(1393) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6567; RMG #659287 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(224)+C5H9LR(138)<=>C4H7R(60)+C5H8LR(1393) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6568; RMG #659289 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C5H9LR(138)<=>C4H7R(60)+C5H8LR(1393) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6569; RMG #659303 +! Template reaction: Disproportionation +! Flux pairs: C8H14L(112), C8H15L(61); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C8H14L(112)<=>C5H8LR(1393)+C8H15L(61) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6570; RMG #659331 +! Template reaction: Disproportionation +! Flux pairs: C7H12R(108), C7H13R(62); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C7H12R(108)<=>C5H8LR(1393)+C7H13R(62) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6571; RMG #659353 +! Template reaction: Disproportionation +! Flux pairs: C6H10L(103), C6H11L(63); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C6H10L(103)<=>C5H8LR(1393)+C6H11L(63) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6572; RMG #659371 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C5H9LR(138)<=>C(75)+C5H8LR(1393) 1.150000e+13 -0.320 0.000 + +! Reaction index: Chemkin #6573; RMG #659373 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C5H9LR(138)<=>C4H7R(81)+C5H8LR(1393) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6574; RMG #659387 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C5H9LR(138)<=>[H][H](83)+C5H8LR(1393) 1.191692e+10 0.568 0.000 + +! Reaction index: Chemkin #6575; RMG #659389 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H9L(84); C5H8L(77), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C5H9LR(138)<=>C5H8LR(1393)+C5H9L(84) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6576; RMG #659407 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C5H9LR(138)<=>C3H5L(86)+C5H8LR(1393) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6577; RMG #659427 +! Template reaction: Disproportionation +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C7H15(85)<=>C5H8LR(1393)+CC(C)CC(C)C(87) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6578; RMG #659457 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]C(94)+C5H9LR(138)<=>CCC(95)+C5H8LR(1393) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6579; RMG #659459 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C5H9LR(138)<=>CCC(95)+C5H8LR(1393) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6580; RMG #659461 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H11R(98); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C6H10R(90)<=>C5H8LR(1393)+C6H11R(98) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6581; RMG #659541 +! Template reaction: Disproportionation +! Flux pairs: C6H10L(169), C6H11L(107); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C6H10L(169)<=>C5H8LR(1393)+C6H11L(107) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6582; RMG #659545 +! Template reaction: Disproportionation +! Flux pairs: C6H10L(103), C6H11L(107); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C6H10L(103)<=>C5H8LR(1393)+C6H11L(107) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6583; RMG #659561 +! Template reaction: Disproportionation +! Flux pairs: C6H9(113), C6H10(110); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C6H9(113)<=>C5H8LR(1393)+C6H10(110) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6584; RMG #659623 +! Template reaction: Disproportionation +! Flux pairs: C6H9(160), C6H10(116); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H9LR(138)+C6H9(160)<=>C5H8LR(1393)+C6H10(116) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6585; RMG #659625 +! Template reaction: Disproportionation +! Flux pairs: C6H9(114), C6H10(116); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C6H9(114)<=>C5H8LR(1393)+C6H10(116) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6586; RMG #659641 +! Template reaction: Disproportionation +! Flux pairs: C6H7(123), C6H8(118); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H9LR(138)+C6H7(123)<=>C5H8LR(1393)+C6H8(118) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6587; RMG #659643 +! Template reaction: Disproportionation +! Flux pairs: C6H7(239), C6H8(118); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C6H7(239)<=>C5H8LR(1393)+C6H8(118) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6588; RMG #659671 +! Template reaction: Disproportionation +! Flux pairs: C7H12R(199), C7H13R(120); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C7H12R(199)<=>C5H8LR(1393)+C7H13R(120) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6589; RMG #659677 +! Template reaction: Disproportionation +! Flux pairs: C7H12R(108), C7H13R(120); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C7H12R(108)<=>C5H8LR(1393)+C7H13R(120) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6590; RMG #659691 +! Template reaction: Disproportionation +! Flux pairs: C6H7(123), C6H8(125); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H9LR(138)+C6H7(123)<=>C5H8LR(1393)+C6H8(125) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6591; RMG #659753 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H7(156)+C5H9LR(138)<=>C4H8(157)+C5H8LR(1393) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6592; RMG #659799 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C5H9LR(138)<=>C5H8(173)+C5H8LR(1393) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6593; RMG #659831 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C5H9LR(138)<=>C5H8(180)+C5H8LR(1393) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6594; RMG #659905 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(287), C6H9R(285); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C6H8R(287)<=>C5H8LR(1393)+C6H9R(285) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6595; RMG #659935 +! Template reaction: Disproportionation +! Flux pairs: C6H7(239), C6H8(290); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C6H7(239)<=>C5H8LR(1393)+C6H8(290) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6596; RMG #659963 +! Template reaction: Disproportionation +! Flux pairs: C6H10L(169), C6H11L(325); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C6H10L(169)<=>C5H8LR(1393)+C6H11L(325) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6597; RMG #659981 +! Template reaction: Disproportionation +! Flux pairs: C7H12R(199), C7H13R(330); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C7H12R(199)<=>C5H8LR(1393)+C7H13R(330) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6598; RMG #660003 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C5H9LR(138)<=>CC(C)C(29484)+C5H8LR(1393) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6599; RMG #660005 +! Template reaction: Disproportionation +! Flux pairs: C6H7(239), C6H8(18175); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C6H7(239)<=>C5H8LR(1393)+C6H8(18175) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6600; RMG #660028 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(287), C6H9R(1802); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C6H8R(287)<=>C5H8LR(1393)+C6H9R(1802) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6601; RMG #661136 +! Template reaction: Disproportionation +! Flux pairs: C10H13(202), C10H14(179); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C10H13(202)<=>C5H8LR(1393)+C10H14(179) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6602; RMG #661248 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C5H5(189)+C5H9LR(138)<=>C5H6(187)+C5H8LR(1393) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #6603; RMG #661672 +! Template reaction: Disproportionation +! Flux pairs: C11H15(234), C11H16(229); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C11H15(234)<=>C5H8LR(1393)+C11H16(229) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6604; RMG #662393 +! Template reaction: Disproportionation +! Flux pairs: C12H15(323), C12H16(269); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C12H15(323)<=>C5H8LR(1393)+C12H16(269) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6605; RMG #662741 +! Template reaction: Disproportionation +! Flux pairs: C11H13(298), C11H14(276); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C11H13(298)<=>C5H8LR(1393)+C11H14(276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6606; RMG #665271 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C12H15(18406)<=>C5H8LR(1393)+C12H16(18680) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6607; RMG #666089 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C11H13(18468)<=>C5H8LR(1393)+C11H14(18772) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6608; RMG #648949 +! Template reaction: Intra_R_Add_Endocyclic +! Flux pairs: C11H15(18454), C11H15(35243); +! Estimated from node Backbone2_N-Sp-3R!H=1R!H_N-1R!H-inRing_Sp-4R!H-3R!H_Ext-5R!H-R_2R!H-inRing_Ext-4R!H-R +C11H15(18454)<=>C11H15(35243) 1.448900e+10 1.223 19.915 + +! Reaction index: Chemkin #6609; RMG #144013 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C6H7(239), C12H18L(18253); C6H11L(63), C12H18L(18253); +! From training reaction 260 used for Cds-HH_Cds-CsCs;CsJ-CdCsH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C6H7(239)+C6H11L(63)<=>C12H18L(18253) 4.860000e+03 2.410 10.980 + +! Reaction index: Chemkin #6610; RMG #666245 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C10H14(18435), C12H18L(18253); C[CH]L(8), C12H18L(18253); +! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]L(8)+C10H14(18435)<=>C12H18L(18253) 5.575000e+02 2.470 3.895 + +! Reaction index: Chemkin #6611; RMG #36050 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5L(59), C10H17LR(3394); C7H12R(108), C10H17LR(3394); +! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C3H5L(59)+C7H12R(108)<=>C10H17LR(3394) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #6612; RMG #23297 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(65), RC10L(1); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C9H17LR(65)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6613; RMG #23301 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(69), RC10L(1); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C9H17LR(69)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6614; RMG #23305 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(66), RC10L(1); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C9H17LR(66)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6615; RMG #23309 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(68), RC10L(1); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C9H17LR(68)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6616; RMG #23313 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(72), RC10L(1); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C9H17LR(72)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6617; RMG #23317 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(73), RC10L(1); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C9H17LR(73)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6618; RMG #23321 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(71), RC10L(1); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C9H17LR(71)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6619; RMG #23325 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(67), RC10L(1); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C9H17LR(67)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6620; RMG #23329 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(70), RC10L(1); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C9H17LR(70)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6621; RMG #23365 +! Library reaction: restart_edge +! Flux pairs: C10H20R(64), RC10(2); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C10H20R(64)<=>C4H5L(91)+RC10(2) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6622; RMG #23401 +! Library reaction: restart_edge +! Flux pairs: C10H20L(76), LC10(3); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C10H20L(76)<=>C4H5L(91)+LC10(3) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6623; RMG #23465 +! Library reaction: restart_edge +! Flux pairs: C4H6L(1895), C4H5L(91); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C4H6L(1895)<=>C3H5R(12)+C4H5L(91) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6624; RMG #23489 +! Library reaction: restart_edge +! Flux pairs: C4H6L(1895), C4H5L(91); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C4H6L(1895)<=>CC(C)L(13)+C4H5L(91) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6625; RMG #23509 +! Library reaction: restart_edge +! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C[CH]CC(C)L(7)<=>C4H5L(91)+CCCC(C)L(16) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6626; RMG #23525 +! Library reaction: restart_edge +! Flux pairs: C6H10R(171), C6H11R(17); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H10R(171)<=>C4H5L(91)+C6H11R(17) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6627; RMG #23553 +! Library reaction: restart_edge +! Flux pairs: C4H6L(1895), C4H5L(91); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C4H6L(1895)<=>C3H6(18)+C4H5L(91) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #6628; RMG #23597 +! Library reaction: restart_edge +! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+[CH2]C(C)CR(6)<=>C4H5L(91)+CC(C)CR(20) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6629; RMG #23641 +! Library reaction: restart_edge +! Flux pairs: C4H6L(1895), C4H5L(91); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C4H6L(1895)<=>CR(22)+C4H5L(91) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6630; RMG #23665 +! Library reaction: restart_edge +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C7H14R(9)<=>C4H5L(91)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6631; RMG #23673 +! Library reaction: restart_edge +! Flux pairs: C5H8L(89), C5H9L(24); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C5H8L(89)<=>C4H5L(91)+C5H9L(24) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6632; RMG #23709 +! Library reaction: restart_edge +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H12L(11)<=>C4H5L(91)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6633; RMG #23721 +! Library reaction: restart_edge +! Flux pairs: C4H6L(1895), C4H5L(91); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C4H6L(1895)<=>CCL(26)+C4H5L(91) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6634; RMG #23725 +! Library reaction: restart_edge +! Flux pairs: C4H6L(1895), C4H5L(91); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C4H6L(1895)<=>CCCR(27)+C4H5L(91) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6635; RMG #23865 +! Library reaction: restart_edge +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C[CH]CC(C)CR(5)<=>C4H5L(91)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6636; RMG #23925 +! Library reaction: restart_edge +! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C5H9L2(203)<=>C4H5L(91)+CC(L)CC(C)L(35) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6637; RMG #24257 +! Library reaction: restart_edge +! Flux pairs: C8H16L(15), C8H17L(49); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C8H16L(15)<=>C4H5L(91)+C8H17L(49) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6638; RMG #24405 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H11R(56); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H10R(90)<=>C4H5L(91)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6639; RMG #24417 +! Library reaction: restart_edge +! Flux pairs: C6H10R(171), C6H11R(56); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H10R(171)<=>C4H5L(91)+C6H11R(56) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6640; RMG #24437 +! Library reaction: restart_edge +! Flux pairs: C5H8L(77), C5H9L(57); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C5H8L(77)<=>C4H5L(91)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6641; RMG #24445 +! Library reaction: restart_edge +! Flux pairs: C5H8L(89), C5H9L(57); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C5H8L(89)<=>C4H5L(91)+C5H9L(57) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6642; RMG #24465 +! Library reaction: restart_edge +! Flux pairs: C4H6L(1895), C4H5L(91); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C4H6L(1895)<=>C3H5R(58)+C4H5L(91) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6643; RMG #24485 +! Library reaction: restart_edge +! Flux pairs: C4H6L(1895), C4H5L(91); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C4H6L(1895)<=>C3H5L(59)+C4H5L(91) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #6644; RMG #24501 +! Library reaction: restart_edge +! Flux pairs: C4H6R(224), C4H7R(60); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6L(1895)+C4H6R(224)<=>C4H5L(91)+C4H7R(60) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #6645; RMG #24505 +! Library reaction: restart_edge +! Flux pairs: C4H6L(1895), C4H7R(60); C4H6R(79), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C4H6L(1895)<=>C4H5L(91)+C4H7R(60) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6646; RMG #24521 +! Library reaction: restart_edge +! Flux pairs: C8H14L(112), C8H15L(61); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C8H14L(112)<=>C4H5L(91)+C8H15L(61) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6647; RMG #24565 +! Library reaction: restart_edge +! Flux pairs: C7H12R(108), C7H13R(62); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C7H12R(108)<=>C4H5L(91)+C7H13R(62) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6648; RMG #24597 +! Library reaction: restart_edge +! Flux pairs: C6H10L(103), C6H11L(63); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H10L(103)<=>C4H5L(91)+C6H11L(63) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6649; RMG #24691 +! Library reaction: restart_edge +! Flux pairs: C4H6L(1895), C4H5L(91); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C4H6L(1895)<=>C(75)+C4H5L(91) 1.150000e+13 -0.320 0.000 +DUPLICATE + +! Reaction index: Chemkin #6650; RMG #24694 +! Library reaction: restart_edge +! Flux pairs: C4H6L(1895), C4H5L(91); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(74)+C4H6L(1895)<=>C(75)+C4H5L(91) 9.124700e+12 -0.160 0.000 +DUPLICATE + +! Reaction index: Chemkin #6651; RMG #24744 +! Library reaction: restart_edge +! Flux pairs: C4H6L(1895), C4H7R(81); C4H6R(79), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C4H6L(1895)<=>C4H5L(91)+C4H7R(81) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6652; RMG #24760 +! Library reaction: restart_edge +! Flux pairs: C4H6L(1895), C4H5L(91); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C4H6L(1895)<=>[H][H](83)+C4H5L(91) 1.191690e+10 0.568 0.000 + +! Reaction index: Chemkin #6653; RMG #24764 +! Library reaction: restart_edge +! Flux pairs: C5H8L(77), C5H9L(84); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C5H8L(77)<=>C4H5L(91)+C5H9L(84) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6654; RMG #24796 +! Library reaction: restart_edge +! Flux pairs: C4H6L(1895), C4H5L(91); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C4H6L(1895)<=>C3H5L(86)+C4H5L(91) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6655; RMG #24824 +! Library reaction: restart_edge +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C7H15(85)<=>C4H5L(91)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6656; RMG #25263 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C4H6L(1895); C4H5L(91), C4H6L(1895); +! From training reaction 2557 used for Cds-CsH_Cds-CdH;HJ +! Exact match found for rate rule [Cds-CsH_Cds-CdH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C4H5L(91)<=>C4H6L(1895) 1.350000e+08 1.640 0.380 + +! Reaction index: Chemkin #6657; RMG #25741 +! Library reaction: restart_edge +! Flux pairs: C4H6L(1895), C4H5L(91); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]C(94)+C4H6L(1895)<=>CCC(95)+C4H5L(91) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6658; RMG #25742 +! Library reaction: restart_edge +! Flux pairs: C4H6L(1895), C4H5L(91); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C4H6L(1895)<=>CCC(95)+C4H5L(91) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6659; RMG #28023 +! Library reaction: restart_edge +! Flux pairs: C6H10R(90), C6H11R(98); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H10R(90)<=>C4H5L(91)+C6H11R(98) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6660; RMG #35422 +! Library reaction: restart_edge +! Flux pairs: C6H10L(169), C6H11L(107); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H10L(169)<=>C4H5L(91)+C6H11L(107) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6661; RMG #35424 +! Library reaction: restart_edge +! Flux pairs: C6H10L(103), C6H11L(107); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H10L(103)<=>C4H5L(91)+C6H11L(107) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6662; RMG #38043 +! Library reaction: restart_edge +! Flux pairs: C6H9(113), C6H10(110); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H9(113)<=>C4H5L(91)+C6H10(110) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6663; RMG #46950 +! Library reaction: restart_edge +! Flux pairs: C6H9(160), C6H10(116); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6L(1895)+C6H9(160)<=>C4H5L(91)+C6H10(116) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #6664; RMG #46951 +! Library reaction: restart_edge +! Flux pairs: C6H9(114), C6H10(116); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H9(114)<=>C4H5L(91)+C6H10(116) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6665; RMG #50106 +! Library reaction: restart_edge +! Flux pairs: C6H7(123), C6H8(118); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6L(1895)+C6H7(123)<=>C4H5L(91)+C6H8(118) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #6666; RMG #50107 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C6H8(118); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H7(239)<=>C4H5L(91)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6667; RMG #52175 +! Library reaction: restart_edge +! Flux pairs: C7H12R(199), C7H13R(120); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C7H12R(199)<=>C4H5L(91)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6668; RMG #52178 +! Library reaction: restart_edge +! Flux pairs: C7H12R(108), C7H13R(120); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C7H12R(108)<=>C4H5L(91)+C7H13R(120) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6669; RMG #54784 +! Library reaction: restart_edge +! Flux pairs: C6H7(123), C6H8(125); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6L(1895)+C6H7(123)<=>C4H5L(91)+C6H8(125) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #6670; RMG #69578 +! Library reaction: restart_edge +! Flux pairs: C4H7(156), C4H8(157); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6L(1895)+C4H7(156)<=>C4H5L(91)+C4H8(157) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #6671; RMG #80130 +! Library reaction: restart_edge +! Flux pairs: C5H7(174), C5H8(173); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6L(1895)+C5H7(174)<=>C4H5L(91)+C5H8(173) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #6672; RMG #86074 +! Library reaction: restart_edge +! Flux pairs: C10H13(202), C10H14(179); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C10H13(202)<=>C4H5L(91)+C10H14(179) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6673; RMG #88420 +! Library reaction: restart_edge +! Flux pairs: C5H7(178), C5H8(180); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6L(1895)+C5H7(178)<=>C4H5L(91)+C5H8(180) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #6674; RMG #93171 +! Library reaction: restart_edge +! Flux pairs: C5H5(189), C5H6(187); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C4H6L(1895)+C5H5(189)<=>C4H5L(91)+C5H6(187) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #6675; RMG #137266 +! Library reaction: restart_edge +! Flux pairs: C11H15(234), C11H16(229); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C11H15(234)<=>C4H5L(91)+C11H16(229) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6676; RMG #205637 +! Library reaction: restart_edge +! Flux pairs: C12H15(323), C12H16(269); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C12H15(323)<=>C4H5L(91)+C12H16(269) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6677; RMG #233270 +! Library reaction: restart_edge +! Flux pairs: C11H13(298), C11H14(276); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C11H13(298)<=>C4H5L(91)+C11H14(276) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6678; RMG #267257 +! Library reaction: restart_edge +! Flux pairs: C6H8R(287), C6H9R(285); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H8R(287)<=>C4H5L(91)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6679; RMG #277961 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C6H8(290); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H7(239)<=>C4H5L(91)+C6H8(290) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6680; RMG #347015 +! Library reaction: restart_edge +! Flux pairs: C6H10L(169), C6H11L(325); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H10L(169)<=>C4H5L(91)+C6H11L(325) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6681; RMG #369403 +! Library reaction: restart_edge +! Flux pairs: C7H12R(199), C7H13R(330); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C7H12R(199)<=>C4H5L(91)+C7H13R(330) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6682; RMG #408174 +! Template reaction: Disproportionation +! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+[CH2]C(C)C(399)<=>C4H5L(91)+CC(C)C(29484) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6683; RMG #466128 +! Template reaction: Disproportionation +! Flux pairs: C6H7(239), C6H8(18175); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H7(239)<=>C4H5L(91)+C6H8(18175) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6684; RMG #508450 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C12H15(18406)<=>C4H5L(91)+C12H16(18680) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6685; RMG #632379 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C11H13(18468)<=>C4H5L(91)+C11H14(18772) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6686; RMG #650300 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(287), C6H9R(1802); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H8R(287)<=>C4H5L(91)+C6H9R(1802) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6687; RMG #667615 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C4H6L(1895), C7H11L2(36342); C3H5L(59), C7H11L2(36342); +! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H5L(59)+C4H6L(1895)<=>C7H11L2(36342) 2.790000e+04 2.410 11.220 + +! Reaction index: Chemkin #6688; RMG #669245 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(18406), C12H16(18680); CC(L)CC(C)L(35), C5H9L2(203); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C12H15(18406)<=>C5H9L2(203)+C12H16(18680) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #6689; RMG #667195 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); RC10L(1), C9H17LR(65); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6L(1895)+RC10L(1)<=>C4H7L(36302)+C9H17LR(65) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #6690; RMG #667196 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); RC10L(1), C9H17LR(69); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6L(1895)+RC10L(1)<=>C4H7L(36302)+C9H17LR(69) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #6691; RMG #667197 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C9H17LR(66), RC10L(1); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C9H17LR(66)<=>C4H6L(1895)+RC10L(1) 9.781927e-04 4.260 6.640 + +! Reaction index: Chemkin #6692; RMG #667198 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C9H17LR(68), RC10L(1); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C9H17LR(68)<=>C4H6L(1895)+RC10L(1) 9.781927e-04 4.260 6.640 + +! Reaction index: Chemkin #6693; RMG #667199 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); RC10L(1), C9H17LR(72); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6L(1895)+RC10L(1)<=>C4H7L(36302)+C9H17LR(72) 1.690000e-02 4.340 16.600 + +! Reaction index: Chemkin #6694; RMG #667200 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C9H17LR(73), RC10L(1); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C9H17LR(73)<=>C4H6L(1895)+RC10L(1) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #6695; RMG #667201 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C9H17LR(71), RC10L(1); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C9H17LR(71)<=>C4H6L(1895)+RC10L(1) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #6696; RMG #667202 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C9H17LR(67), RC10L(1); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C9H17LR(67)<=>C4H6L(1895)+RC10L(1) 9.781927e-04 4.260 6.640 + +! Reaction index: Chemkin #6697; RMG #667203 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C9H17LR(70), RC10L(1); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C9H17LR(70)<=>C4H6L(1895)+RC10L(1) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #6698; RMG #667221 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C10H20R(64), RC10(2); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C10H20R(64)<=>C4H6L(1895)+RC10(2) 9.781927e-04 4.260 6.640 + +! Reaction index: Chemkin #6699; RMG #667239 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C10H20L(76), LC10(3); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C10H20L(76)<=>C4H6L(1895)+LC10(3) 9.781927e-04 4.260 6.640 + +! Reaction index: Chemkin #6700; RMG #667245 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C4H6L(1895)<=>C3H4R(78)+C4H7L(36302) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6701; RMG #667253 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C4H7L(36302)<=>CC(C)L(13)+C4H6L(1895) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #6702; RMG #667261 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C[CH]CC(C)L(7)<=>C4H6L(1895)+CCCC(C)L(16) 9.781927e-04 4.260 6.640 + +! Reaction index: Chemkin #6703; RMG #667273 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C6H11R(17), C6H10R(171); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C6H11R(17)<=>C4H7L(36302)+C6H10R(171) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6704; RMG #667285 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C3H6(18), C3H5(102); +! From training reaction 3027 used for C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C4H6L(1895)<=>C3H5(102)+C4H7L(36302) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #6705; RMG #667303 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+[CH2]C(C)CR(6)<=>C4H6L(1895)+CC(C)CR(20) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #6706; RMG #667325 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); [CH2]R(14), CR(22); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]R(14)+C4H7L(36302)<=>CR(22)+C4H6L(1895) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #6707; RMG #667337 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C7H14R(9)<=>C4H6L(1895)+CC(C)CC(C)CR(23) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #6708; RMG #667346 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C5H9L(24)<=>C4H7L(36302)+C5H8L(89) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6709; RMG #667360 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C6H12L(11)<=>C4H6L(1895)+CC(C)CC(C)L(25) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #6710; RMG #667365 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C[CH]L(8), CCL(26); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]L(8)+C4H7L(36302)<=>CCL(26)+C4H6L(1895) 9.781927e-04 4.260 6.640 + +! Reaction index: Chemkin #6711; RMG #667369 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C[CH]CR(10), CCCR(27); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C[CH]CR(10)+C4H7L(36302)<=>CCCR(27)+C4H6L(1895) 9.781927e-04 4.260 6.640 + +! Reaction index: Chemkin #6712; RMG #667420 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C[CH]CC(C)CR(5)<=>C4H6L(1895)+CCCC(C)CR(32) 9.781927e-04 4.260 6.640 + +! Reaction index: Chemkin #6713; RMG #667448 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); CC(L)CC(C)L(35), C5H9L2(203); +! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+CC(L)CC(C)L(35)<=>C4H7L(36302)+C5H9L2(203) 3.380000e-02 4.340 16.600 + +! Reaction index: Chemkin #6714; RMG #667552 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C8H16L(15), C8H17L(49); +! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C8H16L(15)<=>C4H6L(1895)+C8H17L(49) 9.781927e-04 4.260 6.640 + +! Reaction index: Chemkin #6715; RMG #667576 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C6H11R(56), C6H10R(90); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6L(1895)+C6H11R(56)<=>C4H7L(36302)+C6H10R(90) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #6716; RMG #667579 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C6H10R(171), C6H11R(56); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C6H10R(171)<=>C4H6L(1895)+C6H11R(56) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #6717; RMG #667591 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C5H9L(57), C5H8L(77); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6L(1895)+C5H9L(57)<=>C4H7L(36302)+C5H8L(77) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #6718; RMG #667593 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C5H8L(89), C5H9L(57); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C5H8L(89)<=>C4H6L(1895)+C5H9L(57) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #6719; RMG #667603 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C3H4R(78), C3H5R(58); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4R(78)+C4H7L(36302)<=>C3H5R(58)+C4H6L(1895) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #6720; RMG #667612 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C3H4L(147), C3H5L(59); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C3H4L(147)+C4H7L(36302)<=>C3H5L(59)+C4H6L(1895) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #6721; RMG #667621 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C4H6R(224), C4H7R(60); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H6R(224)+C4H7L(36302)<=>C4H6L(1895)+C4H7R(60) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #6722; RMG #667622 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C4H7R(60)<=>C4H6R(79)+C4H7L(36302) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6723; RMG #667636 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C8H15L(61), C8H14L(112); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6L(1895)+C8H15L(61)<=>C4H7L(36302)+C8H14L(112) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #6724; RMG #667655 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C7H13R(62), C7H12R(108); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C7H13R(62)<=>C4H7L(36302)+C7H12R(108) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6725; RMG #667670 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C6H11L(63)<=>C4H7L(36302)+C6H10L(103) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6726; RMG #667677 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); CH3(74), C(75); +! From training reaction 758 used for C/H3/Cd\H_Cd\H\Cs;C_methyl +! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +CH3(74)+C4H7L(36302)<=>C(75)+C4H6L(1895) 7.200000e-02 4.250 7.530 + +! Reaction index: Chemkin #6727; RMG #667682 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C4H6R(79), C4H7R(81); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H6R(79)+C4H7L(36302)<=>C4H6L(1895)+C4H7R(81) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #6728; RMG #667687 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); H(82), [H][H](83); +! From training reaction 756 used for C/H3/Cd\H_Cd\H\Cs;H_rad +! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +H(82)+C4H7L(36302)<=>[H][H](83)+C4H6L(1895) 3.360000e+03 3.140 4.290 + +! Reaction index: Chemkin #6729; RMG #667694 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C5H9L(84)<=>C4H7L(36302)+C5H8L(77) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6730; RMG #667705 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C3H4L(219), C3H5L(86); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H4L(219)+C4H7L(36302)<=>C3H5L(86)+C4H6L(1895) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #6731; RMG #667715 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C7H15(85), CC(C)CC(C)C(87); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C7H15(85)<=>C4H6L(1895)+CC(C)CC(C)C(87) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #6732; RMG #667734 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); CCC(95), C[CH]C(94); +! From training reaction 913 used for C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C4H6L(1895)<=>C[CH]C(94)+C4H7L(36302) 2.920000e-02 4.340 16.600 + +! Reaction index: Chemkin #6733; RMG #667735 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); [CH2]CC(195), CCC(95); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +[CH2]CC(195)+C4H7L(36302)<=>CCC(95)+C4H6L(1895) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #6734; RMG #667743 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C6H11R(98), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C6H11R(98)<=>C4H7L(36302)+C6H10R(90) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6735; RMG #667792 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C6H11L(107), C6H10L(169); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6L(1895)+C6H11L(107)<=>C4H7L(36302)+C6H10L(169) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #6736; RMG #667794 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C6H10L(103), C6H11L(107); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C6H10L(103)<=>C4H6L(1895)+C6H11L(107) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #6737; RMG #667808 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C6H10(110), C6H9(113); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H6L(1895)+C6H10(110)<=>C4H7L(36302)+C6H9(113) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #6738; RMG #667872 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C6H10(116)<=>C4H7L(36302)+C6H9(160) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6739; RMG #667873 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C6H10(116)<=>C4H7L(36302)+C6H9(114) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6740; RMG #667901 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C6H8(118), C6H7(123); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C6H8(118)<=>C4H7L(36302)+C6H7(123) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #6741; RMG #667902 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [2_methyl_CPD;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H6L(1895)+C6H8(118)<=>C4H7L(36302)+C6H7(239) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #6742; RMG #667917 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C7H13R(120), C7H12R(199); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6L(1895)+C7H13R(120)<=>C4H7L(36302)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #6743; RMG #667920 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C7H12R(108), C7H13R(120); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+C7H12R(108)<=>C4H6L(1895)+C7H13R(120) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #6744; RMG #667933 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C6H8(125), C6H7(123); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C6H8(125)<=>C4H7L(36302)+C6H7(123) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #6745; RMG #667966 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); C4H7(156), C4H8(157); +! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.4142135623730951 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C4H7L(36302)+C4H7(156)<=>C4H6L(1895)+C4H8(157) 8.700000e-03 4.340 13.600 + +! Reaction index: Chemkin #6746; RMG #667999 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H6L(1895)+C5H8(173)<=>C4H7L(36302)+C5H7(174) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #6747; RMG #668013 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6L(1895)+C5H8(180)<=>C4H7L(36302)+C5H7(178) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #6748; RMG #668021 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C5H6(187), C5H5(189); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C5H6(187)<=>C4H7L(36302)+C5H5(189) 3.860000e-03 4.340 6.700 + +! Reaction index: Chemkin #6749; RMG #668114 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H6L(1895)+C6H9R(285)<=>C4H7L(36302)+C6H8R(287) 4.350000e-03 4.340 13.600 + +! Reaction index: Chemkin #6750; RMG #668132 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C6H8(290), C6H7(239); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C6H8(290)<=>C4H7L(36302)+C6H7(239) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6751; RMG #668146 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C6H11L(325), C6H10L(169); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6L(1895)+C6H11L(325)<=>C4H7L(36302)+C6H10L(169) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #6752; RMG #668159 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C7H13R(330), C7H12R(199); +! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! family: H_Abstraction +C4H6L(1895)+C7H13R(330)<=>C4H7L(36302)+C7H12R(199) 2.780000e-03 4.340 8.900 + +! Reaction index: Chemkin #6753; RMG #668169 +! Template reaction: H_Abstraction +! Flux pairs: C4H7L(36302), C4H6L(1895); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C4H7L(36302)+[CH2]C(C)C(399)<=>C4H6L(1895)+CC(C)C(29484) 1.344361e-04 4.649 4.527 + +! Reaction index: Chemkin #6754; RMG #668176 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C6H8(18175), C6H7(239); +! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 +! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6L(1895)+C6H8(18175)<=>C4H7L(36302)+C6H7(239) 7.720000e-03 4.340 6.700 + +! Reaction index: Chemkin #6755; RMG #668192 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C6H9R(1802), C6H8R(287); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C6H9R(1802)<=>C4H7L(36302)+C6H8R(287) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6756; RMG #668500 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C10H14(179), C10H13(202); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C10H14(179)<=>C4H7L(36302)+C10H13(202) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6757; RMG #668662 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C11H16(229), C11H15(234); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C11H16(229)<=>C4H7L(36302)+C11H15(234) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6758; RMG #668686 +! Template reaction: Disproportionation +! Flux pairs: C6H7(239), C6H6(252); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H7(239)<=>C4H7L(36302)+C6H6(252) 1.350000e+03 2.700 0.044 + +! Reaction index: Chemkin #6759; RMG #668944 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C12H16(18680), C12H15(18406); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C12H16(18680)<=>C4H7L(36302)+C12H15(18406) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6760; RMG #669062 +! Template reaction: H_Abstraction +! Flux pairs: C4H6L(1895), C4H7L(36302); C11H14(18772), C11H13(18468); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C11H14(18772)<=>C4H7L(36302)+C11H13(18468) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6761; RMG #670191 +! Template reaction: Disproportionation +! Flux pairs: C6H9(114), C6H8(118); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H9(114)<=>C4H7L(36302)+C6H8(118) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #6762; RMG #670199 +! Template reaction: Disproportionation +! Flux pairs: C6H9(114), C6H8(125); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H9(114)<=>C4H7L(36302)+C6H8(125) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #6763; RMG #670200 +! Template reaction: Disproportionation +! Flux pairs: C6H9(114), C6H8(290); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C6H9(114)<=>C4H7L(36302)+C6H8(290) 1.225854e+27 -4.376 9.481 + +! Reaction index: Chemkin #6764; RMG #677719 +! Template reaction: Disproportionation +! Flux pairs: C4H6L(1895), C4H5L(91); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C4H6L(1895)<=>C4H5L(91)+C4H7L(36302) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6765; RMG #677726 +! Template reaction: R_Recombination +! Flux pairs: C4H6L(1895), C4H7L(36302); H(82), C4H7L(36302); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- +! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing +H(82)+C4H6L(1895)<=>C4H7L(36302) 1.625980e+13 0.255 0.000 + +! Reaction index: Chemkin #6766; RMG #677834 +! Template reaction: Disproportionation +! Flux pairs: C4H6L(1895), C4H7L(36302); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C4H6L(1895)<=>C3H5R(12)+C4H7L(36302) 1.225854e+27 -4.376 6.263 + +! Reaction index: Chemkin #6767; RMG #677878 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C[CH]CC(C)CR(5)<=>C4H7L(36302)+C6H11R(17) 1.225854e+27 -4.376 6.090 + +! Reaction index: Chemkin #6768; RMG #677888 +! Template reaction: Disproportionation +! Flux pairs: C4H6L(1895), C4H7L(36302); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C4H6L(1895)<=>C3H6(18)+C4H7L(36302) 3.941700e+12 -0.039 0.000 + +! Reaction index: Chemkin #6769; RMG #677892 +! Template reaction: Disproportionation +! Flux pairs: C4H6L(1895), C4H7L(36302); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C4H6L(1895)<=>C3H6(18)+C4H7L(36302) 2.451708e+27 -4.376 6.166 + +! Reaction index: Chemkin #6770; RMG #677900 +! Template reaction: Disproportionation +! Flux pairs: C4H6L(1895), C4H7L(36302); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C4H6L(1895)<=>C2H3L(19)+C4H7L(36302) 1.225854e+27 -4.376 6.263 + +! Reaction index: Chemkin #6771; RMG #677934 +! Template reaction: Disproportionation +! Flux pairs: C8H16L(15), C8H15L(21); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C8H16L(15)<=>C4H7L(36302)+C8H15L(21) 1.225854e+27 -4.376 6.090 + +! Reaction index: Chemkin #6772; RMG #677966 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C[CH]CC(C)L(7)<=>C4H7L(36302)+C5H9L(24) 1.225854e+27 -4.376 6.090 + +! Reaction index: Chemkin #6773; RMG #678336 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C[CH]CC(C)CR(5)<=>C4H7L(36302)+C6H11R(56) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6774; RMG #678354 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C[CH]CC(C)L(7)<=>C4H7L(36302)+C5H9L(57) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6775; RMG #678372 +! Template reaction: Disproportionation +! Flux pairs: C4H6L(1895), C4H7L(36302); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C4H6L(1895)<=>C3H5R(58)+C4H7L(36302) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6776; RMG #678380 +! Template reaction: Disproportionation +! Flux pairs: C4H6L(1895), C4H7L(36302); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +[CH2]C(C)L(4)+C4H6L(1895)<=>C3H5L(59)+C4H7L(36302) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #6777; RMG #678394 +! Template reaction: Disproportionation +! Flux pairs: [CH2]C(C)CR(6), C4H7L(36302); C4H6L(1895), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C4H6L(1895)+[CH2]C(C)CR(6)<=>C4H7R(60)+C4H7L(36302) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #6778; RMG #678418 +! Template reaction: Disproportionation +! Flux pairs: C8H16L(15), C8H15L(61); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C8H16L(15)<=>C4H7L(36302)+C8H15L(61) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6779; RMG #678438 +! Template reaction: Disproportionation +! Flux pairs: C7H14R(9), C7H13R(62); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C4H6L(1895)+C7H14R(9)<=>C4H7L(36302)+C7H13R(62) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #6780; RMG #678456 +! Template reaction: Disproportionation +! Flux pairs: C6H12L(11), C6H11L(63); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C4H6L(1895)+C6H12L(11)<=>C4H7L(36302)+C6H11L(63) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #6781; RMG #679089 +! Template reaction: Disproportionation +! Flux pairs: C6H9(160), C6H8(125); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 4.0 +C4H6L(1895)+C6H9(160)<=>C4H7L(36302)+C6H8(125) 2.700000e+03 2.700 0.000 + +! Reaction index: Chemkin #6782; RMG #679325 +! Template reaction: Disproportionation +! Flux pairs: [CH2]C(C)C(399), C4H8(157); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C4H6L(1895)+[CH2]C(C)C(399)<=>C4H7L(36302)+C4H8(157) 7.830000e+11 0.000 0.000 + +! Reaction index: Chemkin #6783; RMG #679564 +! Template reaction: Disproportionation +! Flux pairs: C10H15(183), C10H14(184); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C10H15(183)<=>C4H7L(36302)+C10H14(184) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #6784; RMG #679592 +! Template reaction: Disproportionation +! Flux pairs: C5H7(178), C5H6(187); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 4.0 +C4H6L(1895)+C5H7(178)<=>C4H7L(36302)+C5H6(187) 2.700000e+03 2.700 0.000 + +! Reaction index: Chemkin #6785; RMG #679661 +! Template reaction: Disproportionation +! Flux pairs: C8H13(191), C8H12(194); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C8H13(191)<=>C4H7L(36302)+C8H12(194) 1.225854e+27 -4.376 6.263 + +! Reaction index: Chemkin #6786; RMG #679746 +! Template reaction: Disproportionation +! Flux pairs: C10H13(202), C10H12(201); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C10H13(202)<=>C4H7L(36302)+C10H12(201) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #6787; RMG #680187 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(240); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C10H14R(316)<=>C4H7L(36302)+C10H13R(240) 1.225854e+27 -4.376 6.099 + +! Reaction index: Chemkin #6788; RMG #680243 +! Template reaction: Disproportionation +! Flux pairs: C12H15(283), C12H14(244); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C12H15(283)<=>C4H7L(36302)+C12H14(244) 1.225854e+27 -4.376 9.551 + +! Reaction index: Chemkin #6789; RMG #680295 +! Template reaction: Disproportionation +! Flux pairs: C11H15(18464), C11H14(246); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C11H15(18464)<=>C4H7L(36302)+C11H14(246) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #6790; RMG #680380 +! Template reaction: Disproportionation +! Flux pairs: C6H7(123), C6H6(252); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C6H7(123)<=>C4H7L(36302)+C6H6(252) 1.225854e+27 -4.376 9.625 + +! Reaction index: Chemkin #6791; RMG #680502 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18389), C12H14(257); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C12H15(18389)<=>C4H7L(36302)+C12H14(257) 1.225854e+27 -4.376 9.551 + +! Reaction index: Chemkin #6792; RMG #680566 +! Template reaction: Disproportionation +! Flux pairs: C5H8L(89), C5H7L(262); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C4H6L(1895)+C5H8L(89)<=>C4H7L(36302)+C5H7L(262) 7.830000e+11 0.000 0.294 + +! Reaction index: Chemkin #6793; RMG #680578 +! Template reaction: Disproportionation +! Flux pairs: C5H8L(77), C5H7L(262); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C5H8L(77)<=>C4H7L(36302)+C5H7L(262) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #6794; RMG #680878 +! Template reaction: Disproportionation +! Flux pairs: C11H15(256), C11H14(271); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C11H15(256)<=>C4H7L(36302)+C11H14(271) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #6795; RMG #680918 +! Template reaction: Disproportionation +! Flux pairs: C9H13(260), C9H12(272); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C9H13(260)<=>C4H7L(36302)+C9H12(272) 1.225854e+27 -4.376 6.263 + +! Reaction index: Chemkin #6796; RMG #681108 +! Template reaction: Disproportionation +! Flux pairs: C12H15(22038), C12H14(277); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C12H15(22038)<=>C4H7L(36302)+C12H14(277) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #6797; RMG #681152 +! Template reaction: Disproportionation +! Flux pairs: C11H15(226), C11H14(278); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C11H15(226)<=>C4H7L(36302)+C11H14(278) 1.225854e+27 -4.376 9.551 + +! Reaction index: Chemkin #6798; RMG #681306 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(285); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H10R(90)<=>C4H7L(36302)+C6H9R(285) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6799; RMG #682217 +! Template reaction: Disproportionation +! Flux pairs: C11H13(298), C11H12(329); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C11H13(298)<=>C4H7L(36302)+C11H12(329) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #6800; RMG #682676 +! Template reaction: Disproportionation +! Flux pairs: C9H13(311), C9H12(18323); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C9H13(311)<=>C4H7L(36302)+C9H12(18323) 1.225854e+27 -4.376 6.263 + +! Reaction index: Chemkin #6801; RMG #682936 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18380); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C12H17(266)<=>C4H7L(36302)+C12H16(18380) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #6802; RMG #683098 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18225), C9H11R(18275); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C9H12R(18225)<=>C4H7L(36302)+C9H11R(18275) 1.225854e+27 -4.376 5.973 + +! Reaction index: Chemkin #6803; RMG #683174 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(316), C10H13R(18283); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C10H14R(316)<=>C4H7L(36302)+C10H13R(18283) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6804; RMG #683534 +! Template reaction: Disproportionation +! Flux pairs: C11H17(238), C11H16(11281); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C11H17(238)<=>C4H7L(36302)+C11H16(11281) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #6805; RMG #683538 +! Template reaction: Disproportionation +! Flux pairs: C11H17(181), C11H16(11281); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C11H17(181)<=>C4H7L(36302)+C11H16(11281) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #6806; RMG #683628 +! Template reaction: Disproportionation +! Flux pairs: C9H12L(293), C9H11L(18431); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C9H12L(293)<=>C4H7L(36302)+C9H11L(18431) 1.225854e+27 -4.376 6.099 + +! Reaction index: Chemkin #6807; RMG #683833 +! Template reaction: Disproportionation +! Flux pairs: C11H17(10750), C11H16(11277); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C11H17(10750)<=>C4H7L(36302)+C11H16(11277) 1.225854e+27 -4.376 8.429 + +! Reaction index: Chemkin #6808; RMG #683965 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(18285), C10H13R(18278); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6L(1895)+C10H14R(18285)<=>C4H7L(36302)+C10H13R(18278) 2.451708e+27 -4.376 6.159 + +! Reaction index: Chemkin #6809; RMG #684035 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H9R(1802); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R +C4H6L(1895)+C6H10R(171)<=>C4H7L(36302)+C6H9R(1802) 7.830000e+11 0.000 0.294 + +! Reaction index: Chemkin #6810; RMG #684047 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H9R(1802); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C4H6L(1895)+C6H10R(90)<=>C4H7L(36302)+C6H9R(1802) 1.225854e+27 -4.376 8.605 + +! Reaction index: Chemkin #6811; RMG #684065 +! Template reaction: Disproportionation +! Flux pairs: C5H9LR(138), C5H8LR(1393); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C5H9LR(138)<=>C4H7L(36302)+C5H8LR(1393) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6812; RMG #143995 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C6H7(239), C13H20R(18248); C7H13R(62), C13H20R(18248); +! From training reaction 260 used for Cds-HH_Cds-CsCs;CsJ-CdCsH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C6H7(239)+C7H13R(62)<=>C13H20R(18248) 4.860000e+03 2.410 10.980 + +! Reaction index: Chemkin #6813; RMG #684106 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C10H14(18435), C13H20R(18248); C[CH]CR(10), C13H20R(18248); +! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]CR(10)+C10H14(18435)<=>C13H20R(18248) 5.575000e+02 2.470 3.895 + +! Reaction index: Chemkin #6814; RMG #144077 +! Library reaction: restart_edge +! Flux pairs: C4H6R(79), C10H13R(18281); C6H7(239), C10H13R(18281); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R +C4H6R(79)+C6H7(239)<=>C10H13R(18281) 3.481290e+13 -0.158 0.000 + +! Reaction index: Chemkin #6815; RMG #157429 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C10H14R(247); C10H13R(18281), C10H14R(247); +! From training reaction 2933 used for Cds-CsH_Cds-CsCs;HJ +! Exact match found for rate rule [Cds-CsH_Cds-CsCs;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C10H13R(18281)<=>C10H14R(247) 3.066000e+11 0.481 7.426 + +! Reaction index: Chemkin #6816; RMG #684198 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(65)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6817; RMG #684204 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(69)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6818; RMG #684210 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(66)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6819; RMG #684216 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(68)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6820; RMG #684222 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(72)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6821; RMG #684228 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(73)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6822; RMG #684234 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(71)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6823; RMG #684240 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(67)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6824; RMG #684246 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H17LR(70)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6825; RMG #684300 +! Template reaction: Disproportionation +! Flux pairs: C10H20R(64), RC10(2); C10H14R(247), C10H13R(18281); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H14R(247)+C10H20R(64)<=>C10H13R(18281)+RC10(2) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6826; RMG #684354 +! Template reaction: Disproportionation +! Flux pairs: C10H20L(76), LC10(3); C10H14R(247), C10H13R(18281); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H14R(247)+C10H20L(76)<=>C10H13R(18281)+LC10(3) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6827; RMG #684360 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C10H14R(247)<=>C3H5R(12)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6828; RMG #684400 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C10H14R(247)<=>CC(C)L(13)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6829; RMG #684412 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C10H14R(247)<=>C6H11R(17)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6830; RMG #684458 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C10H14R(247)<=>C3H6(18)+C10H13R(18281) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6831; RMG #684532 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C10H14R(247)<=>CC(C)CR(20)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6832; RMG #684538 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C10H14R(247)<=>CR(22)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6833; RMG #684550 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C10H14R(247)<=>C5H9L(24)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6834; RMG #684608 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H12L(11)+C10H14R(247)<=>CC(C)CC(C)L(25)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6835; RMG #684626 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C10H14R(247)<=>CCL(26)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6836; RMG #684632 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C10H14R(247)<=>CCCR(27)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6837; RMG #684650 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C10H14R(247)<=>C6H11R(56)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6838; RMG #684668 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C10H14R(247)<=>C6H11R(56)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6839; RMG #684702 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C10H14R(247)<=>C5H9L(57)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6840; RMG #684714 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C10H14R(247)<=>C5H9L(57)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6841; RMG #684748 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C10H14R(247)<=>C3H5R(58)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6842; RMG #684782 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C10H14R(247)<=>C3H5L(59)+C10H13R(18281) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6843; RMG #684810 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(224)+C10H14R(247)<=>C4H7R(60)+C10H13R(18281) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6844; RMG #684816 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C10H14R(247)<=>C4H7R(60)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6845; RMG #684844 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H14L(112)+C10H14R(247)<=>C8H15L(61)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6846; RMG #684914 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(108)+C10H14R(247)<=>C7H13R(62)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6847; RMG #684966 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C10H14R(247)<=>C6H11L(63)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6848; RMG #685006 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C10H14R(247)<=>C(75)+C10H13R(18281) 1.150000e+13 -0.320 0.000 + +! Reaction index: Chemkin #6849; RMG #685052 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C10H14R(247)<=>CCCC(C)L(16)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6850; RMG #685164 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H14R(9)+C10H14R(247)<=>CC(C)CC(C)CR(23)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6851; RMG #685302 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C10H14R(247)<=>CCCC(C)CR(32)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6852; RMG #685392 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9L2(203)+C10H14R(247)<=>CC(L)CC(C)L(35)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6853; RMG #685890 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C10H14R(247)<=>C8H17L(49)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6854; RMG #686034 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C10H14R(247)<=>C4H7R(81)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6855; RMG #686062 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C10H14R(247)<=>[H][H](83)+C10H13R(18281) 1.191692e+10 0.568 0.000 + +! Reaction index: Chemkin #6856; RMG #686068 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C10H14R(247)<=>C5H9L(84)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6857; RMG #686108 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C10H14R(247)<=>C3H5L(86)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6858; RMG #686154 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H15(85)+C10H14R(247)<=>CC(C)CC(C)C(87)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6859; RMG #686244 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]C(94)+C10H14R(247)<=>CCC(95)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6860; RMG #686250 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C10H14R(247)<=>CCC(95)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6861; RMG #686256 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C10H14R(247)<=>C6H11R(98)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6862; RMG #686440 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C10H14R(247)<=>C6H11L(107)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6863; RMG #686452 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C10H14R(247)<=>C6H11L(107)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6864; RMG #686486 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(113)+C10H14R(247)<=>C6H10(110)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6865; RMG #686686 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C10H14R(247)<=>C6H10(116)+C10H13R(18281) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6866; RMG #686692 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C10H14R(247)<=>C6H10(116)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6867; RMG #686772 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C10H14R(247)<=>C6H8(118)+C10H13R(18281) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6868; RMG #686778 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C10H14R(247)<=>C6H8(118)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6869; RMG #686834 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(199)+C10H14R(247)<=>C7H13R(120)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6870; RMG #686852 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(108)+C10H14R(247)<=>C7H13R(120)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6871; RMG #686880 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C10H14R(247)<=>C6H8(125)+C10H13R(18281) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6872; RMG #687038 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H7(156)+C10H14R(247)<=>C4H8(157)+C10H13R(18281) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6873; RMG #687176 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C10H14R(247)<=>C5H8(173)+C10H13R(18281) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6874; RMG #687286 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C10H14R(247)<=>C5H8(180)+C10H13R(18281) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6875; RMG #687352 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C5H5(189)+C10H14R(247)<=>C5H6(187)+C10H13R(18281) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #6876; RMG #688974 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C10H14R(247)<=>C6H9R(285)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6877; RMG #689106 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C10H14R(247)<=>C6H8(290)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6878; RMG #689734 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C10H14R(247)<=>C6H11L(325)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6879; RMG #689774 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(199)+C10H14R(247)<=>C7H13R(330)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6880; RMG #690046 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C10H14R(247)<=>CC(C)C(29484)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6881; RMG #690340 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C10H14R(247)<=>C6H8(18175)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6882; RMG #690784 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C10H14R(247), C10H13R(18281); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H14R(247)+C12H15(18406)<=>C10H13R(18281)+C12H16(18680) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6883; RMG #691876 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C10H14R(247), C10H13R(18281); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H14R(247)+C11H13(18468)<=>C10H13R(18281)+C11H14(18772) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6884; RMG #691972 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C10H14R(247)<=>C6H9R(1802)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6885; RMG #692108 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H13R(18281); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C10H14R(247)<=>C4H7L(36302)+C10H13R(18281) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6886; RMG #274713 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(82), C6H8R(288); C6H7R(24238), C6H8R(288); +! From training reaction 11 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ +! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C6H7R(24238)<=>C6H8R(288) 1.650000e+09 1.480 0.900 + +! Reaction index: Chemkin #6887; RMG #275735 +! Library reaction: restart_edge +! Flux pairs: C6H8R(288), C6H7R(24238); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C6H8R(288)<=>C5H8(173)+C6H7R(24238) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #6888; RMG #276000 +! Library reaction: restart_edge +! Flux pairs: C6H8R(288), C6H8(118); C6H7(239), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H8R(288)<=>C6H7R(24238)+C6H8(118) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6889; RMG #276006 +! Library reaction: restart_edge +! Flux pairs: C6H8R(288), C6H8(18175); C6H7(239), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H8R(288)<=>C6H7R(24238)+C6H8(18175) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6890; RMG #276012 +! Library reaction: restart_edge +! Flux pairs: C6H8R(288), C6H8(290); C6H7(239), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H8R(288)<=>C6H7R(24238)+C6H8(290) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6891; RMG #276165 +! Library reaction: restart_edge +! Flux pairs: C6H8R(287), C6H9R(285); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C6H8R(287)<=>C6H7R(24238)+C6H9R(285) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6892; RMG #276178 +! Library reaction: restart_edge +! Flux pairs: C6H8R(287), C6H9R(1802); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C6H8R(287)<=>C6H7R(24238)+C6H9R(1802) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6893; RMG #281688 +! Library reaction: restart_edge +! Flux pairs: C6H8R(288), C6H7R(24238); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C6H8R(288)<=>C3H5R(12)+C6H7R(24238) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6894; RMG #281695 +! Library reaction: restart_edge +! Flux pairs: C6H8R(288), C6H7R(24238); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C6H8R(288)<=>C3H5R(58)+C6H7R(24238) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6895; RMG #285478 +! Library reaction: restart_edge +! Flux pairs: C6H8R(288), C6H7R(24238); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C6H8R(288)<=>C4H7R(60)+C6H7R(24238) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6896; RMG #285484 +! Library reaction: restart_edge +! Flux pairs: C6H8R(288), C6H7R(24238); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C6H8R(288)<=>C4H7R(81)+C6H7R(24238) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6897; RMG #285522 +! Library reaction: restart_edge +! Flux pairs: C6H8R(288), C6H7R(24238); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C6H8R(288)<=>C3H6(18)+C6H7R(24238) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #6898; RMG #285530 +! Library reaction: restart_edge +! Flux pairs: C6H9(113), C6H10(110); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C6H9(113)<=>C6H7R(24238)+C6H10(110) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6899; RMG #285562 +! Library reaction: restart_edge +! Flux pairs: C6H9(114), C6H10(116); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C6H9(114)<=>C6H7R(24238)+C6H10(116) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6900; RMG #285569 +! Library reaction: restart_edge +! Flux pairs: C6H8R(288), C6H7R(24238); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C6H8R(288)<=>C3H5L(59)+C6H7R(24238) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #6901; RMG #285581 +! Library reaction: restart_edge +! Flux pairs: C6H8R(288), C6H7R(24238); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C6H8R(288)<=>C5H8(180)+C6H7R(24238) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #6902; RMG #289271 +! Library reaction: restart_edge +! Flux pairs: C6H8R(288), C6H7R(24238); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C6H8R(288)<=>C5H9L(57)+C6H7R(24238) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6903; RMG #289280 +! Library reaction: restart_edge +! Flux pairs: C6H8R(288), C6H7R(24238); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C6H8R(288)<=>C5H9L(84)+C6H7R(24238) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6904; RMG #289287 +! Library reaction: restart_edge +! Flux pairs: C6H8R(288), C6H7R(24238); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H7(156)+C6H8R(288)<=>C4H8(157)+C6H7R(24238) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #6905; RMG #295647 +! Library reaction: restart_edge +! Flux pairs: C6H8R(288), C6H7R(24238); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C5H5(189)+C6H8R(288)<=>C5H6(187)+C6H7R(24238) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #6906; RMG #322554 +! Library reaction: restart_edge +! Flux pairs: C6H8R(288), C6H7R(24238); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(224)+C6H8R(288)<=>C4H7R(60)+C6H7R(24238) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #6907; RMG #393098 +! Library reaction: restart_edge +! Flux pairs: C6H8R(288), C6H7R(24238); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C6H8R(288)<=>CCL(26)+C6H7R(24238) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #6908; RMG #692192 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(65), RC10L(1); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C9H17LR(65)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6909; RMG #692196 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(69), RC10L(1); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C9H17LR(69)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6910; RMG #692200 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(66), RC10L(1); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C9H17LR(66)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6911; RMG #692204 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(68), RC10L(1); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C9H17LR(68)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6912; RMG #692208 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(72), RC10L(1); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C9H17LR(72)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6913; RMG #692212 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(73), RC10L(1); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C9H17LR(73)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6914; RMG #692216 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(71), RC10L(1); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C9H17LR(71)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6915; RMG #692220 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(67), RC10L(1); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C9H17LR(67)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6916; RMG #692224 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(70), RC10L(1); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C9H17LR(70)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6917; RMG #692260 +! Template reaction: Disproportionation +! Flux pairs: C10H20R(64), RC10(2); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C10H20R(64)<=>C6H7R(24238)+RC10(2) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6918; RMG #692296 +! Template reaction: Disproportionation +! Flux pairs: C10H20L(76), LC10(3); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C10H20L(76)<=>C6H7R(24238)+LC10(3) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6919; RMG #692397 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(288), C6H7R(24238); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C6H8R(288)<=>CC(C)L(13)+C6H7R(24238) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6920; RMG #692418 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(288), C6H7R(24238); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C6H8R(288)<=>CCCC(C)L(16)+C6H7R(24238) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6921; RMG #692434 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H11R(17); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C6H10R(171)<=>C6H7R(24238)+C6H11R(17) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6922; RMG #692511 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(288), C6H7R(24238); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C6H8R(288)<=>CC(C)CR(20)+C6H7R(24238) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6923; RMG #692557 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(288), C6H7R(24238); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C6H8R(288)<=>CR(22)+C6H7R(24238) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6924; RMG #692581 +! Template reaction: Disproportionation +! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C7H14R(9)<=>C6H7R(24238)+CC(C)CC(C)CR(23) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6925; RMG #692589 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(288), C6H7R(24238); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C6H8R(288)<=>C5H9L(24)+C6H7R(24238) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6926; RMG #692627 +! Template reaction: Disproportionation +! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C6H12L(11)<=>C6H7R(24238)+CC(C)CC(C)L(25) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6927; RMG #692642 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(288), C6H7R(24238); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C6H8R(288)<=>CCCR(27)+C6H7R(24238) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6928; RMG #692842 +! Template reaction: Disproportionation +! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C[CH]CC(C)CR(5)<=>C6H7R(24238)+CCCC(C)CR(32) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6929; RMG #692902 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(288), C6H7R(24238); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9L2(203)+C6H8R(288)<=>CC(L)CC(C)L(35)+C6H7R(24238) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6930; RMG #693234 +! Template reaction: Disproportionation +! Flux pairs: C8H16L(15), C8H17L(49); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C8H16L(15)<=>C6H7R(24238)+C8H17L(49) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6931; RMG #693544 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H11R(56); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C6H10R(90)<=>C6H7R(24238)+C6H11R(56) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6932; RMG #693556 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(171), C6H11R(56); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C6H10R(171)<=>C6H7R(24238)+C6H11R(56) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6933; RMG #693585 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(288), C6H7R(24238); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C6H8R(288)<=>C5H9L(57)+C6H7R(24238) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6934; RMG #693665 +! Template reaction: Disproportionation +! Flux pairs: C8H14L(112), C8H15L(61); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C8H14L(112)<=>C6H7R(24238)+C8H15L(61) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6935; RMG #693711 +! Template reaction: Disproportionation +! Flux pairs: C7H12R(108), C7H13R(62); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C7H12R(108)<=>C6H7R(24238)+C7H13R(62) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6936; RMG #693745 +! Template reaction: Disproportionation +! Flux pairs: C6H10L(103), C6H11L(63); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C6H10L(103)<=>C6H7R(24238)+C6H11L(63) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6937; RMG #693861 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(288), C6H7R(24238); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C6H8R(288)<=>C(75)+C6H7R(24238) 1.150000e+13 -0.320 0.000 + +! Reaction index: Chemkin #6938; RMG #693936 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(288), C6H7R(24238); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C6H8R(288)<=>[H][H](83)+C6H7R(24238) 1.191692e+10 0.568 0.000 + +! Reaction index: Chemkin #6939; RMG #693974 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(288), C6H7R(24238); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C6H8R(288)<=>C3H5L(86)+C6H7R(24238) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6940; RMG #694004 +! Template reaction: Disproportionation +! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C7H15(85)<=>C6H7R(24238)+CC(C)CC(C)C(87) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6941; RMG #694144 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(288), C6H7R(24238); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]C(94)+C6H8R(288)<=>CCC(95)+C6H7R(24238) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6942; RMG #694148 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(288), C6H7R(24238); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C6H8R(288)<=>CCC(95)+C6H7R(24238) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6943; RMG #694188 +! Template reaction: Disproportionation +! Flux pairs: C6H10R(90), C6H11R(98); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C6H10R(90)<=>C6H7R(24238)+C6H11R(98) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6944; RMG #694398 +! Template reaction: Disproportionation +! Flux pairs: C6H10L(169), C6H11L(107); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C6H10L(169)<=>C6H7R(24238)+C6H11L(107) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6945; RMG #694406 +! Template reaction: Disproportionation +! Flux pairs: C6H10L(103), C6H11L(107); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C6H10L(103)<=>C6H7R(24238)+C6H11L(107) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6946; RMG #694772 +! Template reaction: Disproportionation +! Flux pairs: C6H9(160), C6H10(116); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H8R(288)+C6H9(160)<=>C6H7R(24238)+C6H10(116) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6947; RMG #694827 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(288), C6H8(118); C6H7(123), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C6H8R(288)<=>C6H7R(24238)+C6H8(118) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6948; RMG #694866 +! Template reaction: Disproportionation +! Flux pairs: C7H12R(199), C7H13R(120); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C7H12R(199)<=>C6H7R(24238)+C7H13R(120) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6949; RMG #694878 +! Template reaction: Disproportionation +! Flux pairs: C7H12R(108), C7H13R(120); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C7H12R(108)<=>C6H7R(24238)+C7H13R(120) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6950; RMG #694932 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(288), C6H8(125); C6H7(123), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C6H8R(288)<=>C6H7R(24238)+C6H8(125) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #6951; RMG #695623 +! Template reaction: Disproportionation +! Flux pairs: C10H14R(247), C10H14(179); C10H13(202), C10H13R(18281); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H13(202)+C10H14R(247)<=>C10H13R(18281)+C10H14(179) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6952; RMG #695721 +! Template reaction: Disproportionation +! Flux pairs: C10H13(202), C10H14(179); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C10H13(202)<=>C6H7R(24238)+C10H14(179) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6953; RMG #696972 +! Template reaction: Disproportionation +! Flux pairs: C11H15(234), C11H16(229); C10H14R(247), C10H13R(18281); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H14R(247)+C11H15(234)<=>C10H13R(18281)+C11H16(229) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6954; RMG #697070 +! Template reaction: Disproportionation +! Flux pairs: C11H15(234), C11H16(229); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C11H15(234)<=>C6H7R(24238)+C11H16(229) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6955; RMG #698519 +! Template reaction: Disproportionation +! Flux pairs: C12H15(323), C12H16(269); C10H14R(247), C10H13R(18281); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H14R(247)+C12H15(323)<=>C10H13R(18281)+C12H16(269) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6956; RMG #698617 +! Template reaction: Disproportionation +! Flux pairs: C12H15(323), C12H16(269); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C12H15(323)<=>C6H7R(24238)+C12H16(269) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6957; RMG #699443 +! Template reaction: Disproportionation +! Flux pairs: C11H13(298), C11H14(276); C10H14R(247), C10H13R(18281); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H14R(247)+C11H13(298)<=>C10H13R(18281)+C11H14(276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6958; RMG #699541 +! Template reaction: Disproportionation +! Flux pairs: C11H13(298), C11H14(276); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C11H13(298)<=>C6H7R(24238)+C11H14(276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6959; RMG #701828 +! Template reaction: Disproportionation +! Flux pairs: C6H10L(169), C6H11L(325); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C6H10L(169)<=>C6H7R(24238)+C6H11L(325) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6960; RMG #702030 +! Template reaction: Disproportionation +! Flux pairs: C7H12R(199), C7H13R(330); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C7H12R(199)<=>C6H7R(24238)+C7H13R(330) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6961; RMG #702781 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(288), C6H7R(24238); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C6H8R(288)<=>CC(C)C(29484)+C6H7R(24238) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6962; RMG #704393 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C12H15(18406)<=>C6H7R(24238)+C12H16(18680) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6963; RMG #705882 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C11H13(18468)<=>C6H7R(24238)+C11H14(18772) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6964; RMG #706031 +! Template reaction: Disproportionation +! Flux pairs: C6H8R(288), C6H7R(24238); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C6H8R(288)<=>C4H7L(36302)+C6H7R(24238) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #6965; RMG #143919 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5R(58), C9H12R(18224); C6H7(239), C9H12R(18224); +! Estimated using template [Cds-CsH_Cds-CsH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-CsH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C3H5R(58)+C6H7(239)<=>C9H12R(18224) 2.382500e+02 2.700 11.200 + +! Reaction index: Chemkin #6966; RMG #706136 +! Template reaction: Intra_R_Add_Endocyclic +! Flux pairs: C9H12R(18224), C9H12R(38723); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R +C9H12R(18224)<=>C9H12R(38723) 1.053080e+11 0.266 5.998 + +! Reaction index: Chemkin #6967; RMG #545310 +! Template reaction: Intra_R_Add_Endocyclic +! Flux pairs: C10H15(18437), C10H15(32869); +! Estimated from node Backbone2_N-Sp-3R!H=1R!H_N-1R!H-inRing_Sp-4R!H-3R!H_Ext-5R!H-R_2R!H-inRing_Ext-4R!H-R +C10H15(18437)<=>C10H15(32869) 1.448900e+10 1.223 13.631 + +! Reaction index: Chemkin #6968; RMG #143550 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H6(18), C9H13(18191); C6H7(239), C9H13(18191); +! Estimated using template [Cds-CsH_Cds-HH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-HH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C3H6(18)+C6H7(239)<=>C9H13(18191) 6.850000e+01 2.840 12.200 + +! Reaction index: Chemkin #6969; RMG #179556 +! Library reaction: restart_edge +! Flux pairs: C9H13(260), C9H13(20452); +! Estimated from node Backbone3_N-Sp-4R!H=1R!H_Sp-2R!H-1R!H_Ext-5R!H-R_Ext-3R!H-R +C9H13(260)<=>C9H13(20452) 9.639880e+06 0.978 9.763 + +! Reaction index: Chemkin #6970; RMG #706775 +! Template reaction: Intra_R_Add_Endocyclic +! Flux pairs: C9H13(18191), C9H13(20452); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R +C9H13(18191)<=>C9H13(20452) 1.053080e+11 0.266 6.120 + +! Reaction index: Chemkin #6971; RMG #706774 +! Template reaction: Intra_R_Add_Endocyclic +! Flux pairs: C9H13(18191), C9H13(38809); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R +C9H13(18191)<=>C9H13(38809) 1.053080e+11 0.266 9.387 + +! Reaction index: Chemkin #6972; RMG #706135 +! Template reaction: Intra_R_Add_Endocyclic +! Flux pairs: C9H12R(18224), C9H12R(38722); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R +C9H12R(18224)<=>C9H12R(38722) 1.053080e+11 0.266 9.229 + +! Reaction index: Chemkin #6973; RMG #148248 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C12H16(18717); C6H9(160), C12H16(18717); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H9(160)<=>C12H16(18717) 3.535860e+16 -1.003 0.000 + +! Reaction index: Chemkin #6974; RMG #393812 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); RC10L(1), C9H17LR(65); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C12H15(337)<=>C9H17LR(65)+C12H16(18717) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #6975; RMG #393813 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); RC10L(1), C9H17LR(69); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C12H15(337)<=>C9H17LR(69)+C12H16(18717) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #6976; RMG #393814 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C9H17LR(66), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(66)+C12H16(18717)<=>RC10L(1)+C12H15(337) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6977; RMG #393815 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C9H17LR(68), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(68)+C12H16(18717)<=>RC10L(1)+C12H15(337) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6978; RMG #393816 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); RC10L(1), C9H17LR(72); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C12H15(337)<=>C9H17LR(72)+C12H16(18717) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #6979; RMG #393817 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C9H17LR(73), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(73)+C12H16(18717)<=>RC10L(1)+C12H15(337) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6980; RMG #393818 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C9H17LR(71), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(71)+C12H16(18717)<=>RC10L(1)+C12H15(337) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6981; RMG #393819 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C9H17LR(67), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(67)+C12H16(18717)<=>RC10L(1)+C12H15(337) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6982; RMG #393820 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C9H17LR(70), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(70)+C12H16(18717)<=>RC10L(1)+C12H15(337) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6983; RMG #393993 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C3H4R(78), C3H5R(12); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C12H16(18717)<=>C3H5R(12)+C12H15(337) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6984; RMG #394037 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C12H16(18717)<=>CC(C)L(13)+C12H15(337) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6985; RMG #394062 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C12H16(18717)<=>CCCC(C)L(16)+C12H15(337) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6986; RMG #394104 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C6H10R(171), C6H11R(17); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C12H16(18717)<=>C6H11R(17)+C12H15(337) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6987; RMG #394168 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C12H15(337)<=>C3H5(102)+C12H16(18717) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #6988; RMG #394255 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C12H16(18717)<=>CC(C)CR(20)+C12H15(337) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6989; RMG #394370 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C12H16(18717)<=>CR(22)+C12H15(337) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6990; RMG #394394 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H14R(9)+C12H16(18717)<=>CC(C)CC(C)CR(23)+C12H15(337) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6991; RMG #394446 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C5H8L(89), C5H9L(24); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C12H16(18717)<=>C5H9L(24)+C12H15(337) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #6992; RMG #394511 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H12L(11)+C12H16(18717)<=>CC(C)CC(C)L(25)+C12H15(337) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #6993; RMG #394546 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C12H16(18717)<=>CCL(26)+C12H15(337) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6994; RMG #394567 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C12H16(18717)<=>CCCR(27)+C12H15(337) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6995; RMG #395118 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)CR(5)+C12H16(18717)<=>CCCC(C)CR(32)+C12H15(337) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #6996; RMG #395302 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); CC(L)CC(C)L(35), C5H9L2(203); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CC(L)CC(C)L(35)+C12H15(337)<=>C5H9L2(203)+C12H16(18717) 1.390000e-02 4.340 14.900 + +! Reaction index: Chemkin #6997; RMG #396806 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); C6H11R(56), C6H10R(90); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C12H15(337)<=>C6H10R(90)+C12H16(18717) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #6998; RMG #396809 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C6H10R(171), C6H11R(56); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C12H16(18717)<=>C6H11R(56)+C12H15(337) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #6999; RMG #396880 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); C5H9L(57), C5H8L(77); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C12H15(337)<=>C5H8L(77)+C12H16(18717) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #7000; RMG #396882 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C5H8L(89), C5H9L(57); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C12H16(18717)<=>C5H9L(57)+C12H15(337) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #7001; RMG #396943 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C12H16(18717)<=>C3H5R(58)+C12H15(337) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #7002; RMG #396990 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C12H16(18717)<=>C3H5L(59)+C12H15(337) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #7003; RMG #397032 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C12H16(18717)<=>C4H7R(60)+C12H15(337) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #7004; RMG #397033 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C4H6R(79), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C12H16(18717)<=>C4H7R(60)+C12H15(337) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #7005; RMG #397152 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C7H12R(108), C7H13R(62); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H12R(108)+C12H16(18717)<=>C7H13R(62)+C12H15(337) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #7006; RMG #397226 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C6H10L(103), C6H11L(63); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C12H16(18717)<=>C6H11L(63)+C12H15(337) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #7007; RMG #397279 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C12H15(337)<=>CH3(74)+C12H16(18717) 4.240000e-02 4.340 24.900 + +! Reaction index: Chemkin #7008; RMG #397381 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C12H16(18717)<=>C4H7R(81)+C12H15(337) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #7009; RMG #397432 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C5H8L(77), C5H9L(84); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(77)+C12H16(18717)<=>C5H9L(84)+C12H15(337) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #7010; RMG #397483 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C3H4L(219), C3H5L(86); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4L(219)+C12H16(18717)<=>C3H5L(86)+C12H15(337) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #7011; RMG #397680 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C12H15(337)<=>C[CH]C(94)+C12H16(18717) 1.476000e-02 4.340 18.000 + +! Reaction index: Chemkin #7012; RMG #397681 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C12H16(18717)<=>CCC(95)+C12H15(337) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #7013; RMG #397708 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C6H10R(90), C6H11R(98); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(90)+C12H16(18717)<=>C6H11R(98)+C12H15(337) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #7014; RMG #397963 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); C6H11L(107), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C12H15(337)<=>C6H10L(169)+C12H16(18717) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #7015; RMG #397965 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C6H10L(103), C6H11L(107); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C12H16(18717)<=>C6H11L(107)+C12H15(337) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #7016; RMG #398828 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C6H9(160), C6H10(116); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H9(160)+C12H16(18717)<=>C6H10(116)+C12H15(337) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #7017; RMG #398829 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C6H9(114), C6H10(116); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9(114)+C12H16(18717)<=>C6H10(116)+C12H15(337) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #7018; RMG #399064 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); C6H8(118), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(118)+C12H15(337)<=>C6H7(123)+C12H16(18717) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #7019; RMG #399065 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); C6H8(118), C6H7(239); +! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H8(118)+C12H15(337)<=>C6H7(239)+C12H16(18717) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #7020; RMG #399149 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); C7H13R(120), C7H12R(199); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C12H15(337)<=>C7H12R(199)+C12H16(18717) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #7021; RMG #399152 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C7H12R(108), C7H13R(120); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H12R(108)+C12H16(18717)<=>C7H13R(120)+C12H15(337) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #7022; RMG #399238 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); C6H8(125), C6H7(123); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(125)+C12H15(337)<=>C6H7(123)+C12H16(18717) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #7023; RMG #399407 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C4H7(156), C4H8(157); +! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H7(156)+C12H16(18717)<=>C4H8(157)+C12H15(337) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #7024; RMG #399595 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); C5H8(173), C5H7(174); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C5H8(173)+C12H15(337)<=>C5H7(174)+C12H16(18717) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #7025; RMG #400009 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); C5H8(180), C5H7(178); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C5H8(180)+C12H15(337)<=>C5H7(178)+C12H16(18717) 9.160000e-03 4.340 11.700 + +! Reaction index: Chemkin #7026; RMG #400291 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); C5H6(187), C5H5(189); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H6(187)+C12H15(337)<=>C5H5(189)+C12H16(18717) 1.962000e-03 4.340 6.300 + +! Reaction index: Chemkin #7027; RMG #405646 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); C6H9R(285), C6H8R(287); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H9R(285)+C12H15(337)<=>C6H8R(287)+C12H16(18717) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #7028; RMG #406928 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); C6H11L(325), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C12H15(337)<=>C6H10L(169)+C12H16(18717) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #7029; RMG #406988 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); C7H13R(330), C7H12R(199); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C12H15(337)<=>C7H12R(199)+C12H16(18717) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #7030; RMG #493099 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)C(399)+C12H16(18717)<=>CC(C)C(29484)+C12H15(337) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #7031; RMG #682447 +! Template reaction: H_Abstraction +! Flux pairs: C12H16(18717), C12H15(337); C4H6L(1895), C4H7L(36302); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6L(1895)+C12H16(18717)<=>C4H7L(36302)+C12H15(337) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #7032; RMG #706175 +! Template reaction: H_Abstraction +! Flux pairs: C12H15(337), C12H16(18717); [H][H](83), H(82); +! From training reaction 790 used for H2;C_rad/H/CdCs +! Exact match found for rate rule [H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +! Ea raised from 92.9 to 93.1 kJ/mol to match endothermicity of reaction. +[H][H](83)+C12H15(337)<=>H(82)+C12H16(18717) 4.580000e-02 4.340 22.252 + +! Reaction index: Chemkin #7033; RMG #706960 +! Template reaction: R_Recombination +! Flux pairs: C12H15(337), C12H16(18717); H(82), C12H16(18717); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H +H(82)+C12H15(337)<=>C12H16(18717) 1.576430e+13 -0.222 0.000 + +! Reaction index: Chemkin #7034; RMG #707043 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C12H15(337)<=>C3H6(18)+C12H16(18717) 2.105300e+14 -0.550 0.161 + +! Reaction index: Chemkin #7035; RMG #707053 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C12H15(337)<=>C3H6(18)+C12H16(18717) 2.451708e+27 -4.376 7.519 + +! Reaction index: Chemkin #7036; RMG #707205 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C12H15(337)<=>C3H5R(12)+C12H16(18717) 1.225854e+27 -4.376 7.628 + +! Reaction index: Chemkin #7037; RMG #707303 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C12H15(337)<=>C6H11R(17)+C12H16(18717) 1.225854e+27 -4.376 7.433 + +! Reaction index: Chemkin #7038; RMG #707325 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C12H15(337)<=>C2H3L(19)+C12H16(18717) 1.225854e+27 -4.376 7.628 + +! Reaction index: Chemkin #7039; RMG #707421 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C12H15(337)<=>C8H15L(21)+C12H16(18717) 1.225854e+27 -4.376 7.433 + +! Reaction index: Chemkin #7040; RMG #707513 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C12H15(337)<=>C5H9L(24)+C12H16(18717) 1.225854e+27 -4.376 7.433 + +! Reaction index: Chemkin #7041; RMG #707811 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C12H15(337)<=>C6H11R(56)+C12H16(18717) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7042; RMG #707861 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C12H15(337)<=>C5H9L(57)+C12H16(18717) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7043; RMG #707909 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C12H15(337)<=>C3H5R(58)+C12H16(18717) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7044; RMG #707931 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C12H15(337)<=>C3H5L(59)+C12H16(18717) 5.258140e+13 -0.550 0.110 + +! Reaction index: Chemkin #7045; RMG #707969 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C12H15(337)<=>C4H7R(60)+C12H16(18717) 5.258140e+13 -0.550 0.110 + +! Reaction index: Chemkin #7046; RMG #708037 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C12H15(337)<=>C8H15L(61)+C12H16(18717) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7047; RMG #708093 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C12H15(337)<=>C7H13R(62)+C12H16(18717) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #7048; RMG #708143 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C12H15(337)<=>C6H11L(63)+C12H16(18717) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #7049; RMG #708345 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C12H15(337)<=>C4H5L(91)+C12H16(18717) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7050; RMG #708761 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C12H15(337)<=>C6H8(118)+C12H16(18717) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #7051; RMG #708881 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C12H15(337)<=>C6H8(125)+C12H16(18717) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #7052; RMG #708891 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C12H15(337)<=>C6H8(125)+C12H16(18717) 2.700000e+03 2.700 0.000 + +! Reaction index: Chemkin #7053; RMG #708923 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C12H15(337)<=>C4H8(157)+C12H16(18717) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #7054; RMG #709144 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C5H7(178), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C12H15(337)<=>C5H6(187)+C12H16(18717) 2.700000e+03 2.700 0.000 + +! Reaction index: Chemkin #7055; RMG #709259 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(18175), C6H7(239); C12H15(337), C12H16(18717); +! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C6H8(18175)+C12H15(337)<=>C6H7(239)+C12H16(18717) 3.924000e-03 4.340 6.300 + +! Reaction index: Chemkin #7056; RMG #709275 +! Template reaction: H_Abstraction +! Flux pairs: C6H8(290), C6H7(239); C12H15(337), C12H16(18717); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H8(290)+C12H15(337)<=>C6H7(239)+C12H16(18717) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #7057; RMG #709319 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C6H7(239), C6H6(252); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C12H15(337)<=>C6H6(252)+C12H16(18717) 1.350000e+03 2.700 0.413 + +! Reaction index: Chemkin #7058; RMG #709339 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C6H7(123), C6H6(252); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H7(123)+C12H15(337)<=>C6H6(252)+C12H16(18717) 1.225854e+27 -4.376 11.389 + +! Reaction index: Chemkin #7059; RMG #709373 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C12H15(337)<=>C5H7L(262)+C12H16(18717) 5.258140e+13 -0.550 0.781 + +! Reaction index: Chemkin #7060; RMG #709403 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C12H15(337)<=>C5H7L(262)+C12H16(18717) 1.225854e+27 -4.376 10.255 + +! Reaction index: Chemkin #7061; RMG #709473 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C12H15(337)<=>C6H9R(285)+C12H16(18717) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7062; RMG #709543 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C6H9(114), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H9(114)+C12H15(337)<=>C6H8(290)+C12H16(18717) 1.225854e+27 -4.376 11.229 + +! Reaction index: Chemkin #7063; RMG #709737 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C6H10R(171), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H10R(171)+C12H15(337)<=>C6H9R(1802)+C12H16(18717) 5.258140e+13 -0.550 0.781 + +! Reaction index: Chemkin #7064; RMG #709767 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C6H10R(90), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C6H10R(90)+C12H15(337)<=>C6H9R(1802)+C12H16(18717) 1.225854e+27 -4.376 10.255 + +! Reaction index: Chemkin #7065; RMG #709817 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C5H9LR(138), C5H8LR(1393); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9LR(138)+C12H15(337)<=>C5H8LR(1393)+C12H16(18717) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7066; RMG #709911 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C6H8R(288), C6H7R(24238); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(288)+C12H15(337)<=>C6H7R(24238)+C12H16(18717) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7067; RMG #144448 +! Library reaction: restart_edge +! Flux pairs: C4H7(156), C10H14(18433); C6H7(239), C10H14(18433); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +C4H7(156)+C6H7(239)<=>C10H14(18433) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #7068; RMG #179554 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C[CH]L(8), C12H18L(259); C10H14(18433), C12H18L(259); +! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]L(8)+C10H14(18433)<=>C12H18L(259) 5.575000e+02 2.470 3.895 + +! Reaction index: Chemkin #7069; RMG #263154 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C[CH]CR(10), C13H20R(281); C10H14(18433), C13H20R(281); +! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH +! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C[CH]CR(10)+C10H14(18433)<=>C13H20R(281) 5.575000e+02 2.470 3.895 + +! Reaction index: Chemkin #7070; RMG #545315 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C10H14(18433), C10H15(18437); H(82), C10H15(18437); +! From training reaction 2927 used for Cds-HH_Cds-CsCs;HJ +! Exact match found for rate rule [Cds-HH_Cds-CsCs;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C10H14(18433)<=>C10H15(18437) 1.691000e+10 1.168 2.996 + +! Reaction index: Chemkin #7071; RMG #709954 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(65), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(65)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 4.593 + +! Reaction index: Chemkin #7072; RMG #709960 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(69), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(69)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 4.593 + +! Reaction index: Chemkin #7073; RMG #709966 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(66), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(66)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 4.251 + +! Reaction index: Chemkin #7074; RMG #709972 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(68), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(68)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 4.251 + +! Reaction index: Chemkin #7075; RMG #709978 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(72), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(72)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 4.593 + +! Reaction index: Chemkin #7076; RMG #709984 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(73), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(73)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 3.813 + +! Reaction index: Chemkin #7077; RMG #709990 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(71), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(71)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 3.813 + +! Reaction index: Chemkin #7078; RMG #709996 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(67), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(67)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 4.251 + +! Reaction index: Chemkin #7079; RMG #710002 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(70), RC10L(1); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C9H17LR(70)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 3.813 + +! Reaction index: Chemkin #7080; RMG #710056 +! Template reaction: Disproportionation +! Flux pairs: C10H20R(64), RC10(2); C10H15(18437), C10H14(18433); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H15(18437)+C10H20R(64)<=>C10H14(18433)+RC10(2) 2.451708e+27 -4.376 4.251 + +! Reaction index: Chemkin #7081; RMG #710110 +! Template reaction: Disproportionation +! Flux pairs: C10H20L(76), LC10(3); C10H15(18437), C10H14(18433); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H15(18437)+C10H20L(76)<=>C10H14(18433)+LC10(3) 2.451708e+27 -4.376 4.251 + +! Reaction index: Chemkin #7082; RMG #710142 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4R(78)+C10H15(18437)<=>C3H5R(12)+C10H14(18433) 2.451708e+27 -4.376 6.892 + +! Reaction index: Chemkin #7083; RMG #710182 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +[CH2]C(C)L(4)+C10H15(18437)<=>CC(C)L(13)+C10H14(18433) 2.451708e+27 -4.376 3.813 + +! Reaction index: Chemkin #7084; RMG #710200 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]CC(C)L(7)+C10H15(18437)<=>CCCC(C)L(16)+C10H14(18433) 2.451708e+27 -4.376 4.251 + +! Reaction index: Chemkin #7085; RMG #710224 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H10R(171)+C10H15(18437)<=>C6H11R(17)+C10H14(18433) 2.451708e+27 -4.376 7.020 + +! Reaction index: Chemkin #7086; RMG #710270 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 12.0 +C3H5(102)+C10H15(18437)<=>C3H6(18)+C10H14(18433) 6.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #7087; RMG #710344 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +[CH2]C(C)CR(6)+C10H15(18437)<=>CC(C)CR(20)+C10H14(18433) 2.451708e+27 -4.376 3.813 + +! Reaction index: Chemkin #7088; RMG #710414 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +[CH2]R(14)+C10H15(18437)<=>CR(22)+C10H14(18433) 2.451708e+27 -4.376 3.813 + +! Reaction index: Chemkin #7089; RMG #710450 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C7H14R(9)+C10H15(18437)<=>CC(C)CC(C)CR(23)+C10H14(18433) 2.451708e+27 -4.376 3.813 + +! Reaction index: Chemkin #7090; RMG #710462 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H8L(89)+C10H15(18437)<=>C5H9L(24)+C10H14(18433) 2.451708e+27 -4.376 7.020 + +! Reaction index: Chemkin #7091; RMG #710520 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H12L(11)+C10H15(18437)<=>CC(C)CC(C)L(25)+C10H14(18433) 2.451708e+27 -4.376 3.813 + +! Reaction index: Chemkin #7092; RMG #710538 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]L(8)+C10H15(18437)<=>CCL(26)+C10H14(18433) 2.451708e+27 -4.376 4.251 + +! Reaction index: Chemkin #7093; RMG #710544 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]CR(10)+C10H15(18437)<=>CCCR(27)+C10H14(18433) 2.451708e+27 -4.376 4.251 + +! Reaction index: Chemkin #7094; RMG #710874 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]CC(C)CR(5)+C10H15(18437)<=>CCCC(C)CR(32)+C10H14(18433) 2.451708e+27 -4.376 4.251 + +! Reaction index: Chemkin #7095; RMG #711024 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H9L2(203)+C10H15(18437)<=>CC(L)CC(C)L(35)+C10H14(18433) 2.451708e+27 -4.376 4.593 + +! Reaction index: Chemkin #7096; RMG #711930 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C8H16L(15)+C10H15(18437)<=>C8H17L(49)+C10H14(18433) 2.451708e+27 -4.376 4.251 + +! Reaction index: Chemkin #7097; RMG #712026 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H10R(90)+C10H15(18437)<=>C6H11R(56)+C10H14(18433) 2.451708e+27 -4.376 7.329 + +! Reaction index: Chemkin #7098; RMG #712044 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H10R(171)+C10H15(18437)<=>C6H11R(56)+C10H14(18433) 2.451708e+27 -4.376 6.234 + +! Reaction index: Chemkin #7099; RMG #712078 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H8L(77)+C10H15(18437)<=>C5H9L(57)+C10H14(18433) 2.451708e+27 -4.376 7.329 + +! Reaction index: Chemkin #7100; RMG #712090 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H8L(89)+C10H15(18437)<=>C5H9L(57)+C10H14(18433) 2.451708e+27 -4.376 6.234 + +! Reaction index: Chemkin #7101; RMG #712124 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4R(78)+C10H15(18437)<=>C3H5R(58)+C10H14(18433) 2.451708e+27 -4.376 6.234 + +! Reaction index: Chemkin #7102; RMG #712158 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C3H4L(147)+C10H15(18437)<=>C3H5L(59)+C10H14(18433) 4.903416e+27 -4.376 6.234 + +! Reaction index: Chemkin #7103; RMG #712186 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C4H6R(224)+C10H15(18437)<=>C4H7R(60)+C10H14(18433) 4.903416e+27 -4.376 6.234 + +! Reaction index: Chemkin #7104; RMG #712192 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(79)+C10H15(18437)<=>C4H7R(60)+C10H14(18433) 2.451708e+27 -4.376 6.892 + +! Reaction index: Chemkin #7105; RMG #712220 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C8H14L(112)+C10H15(18437)<=>C8H15L(61)+C10H14(18433) 2.451708e+27 -4.376 7.329 + +! Reaction index: Chemkin #7106; RMG #712290 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C7H12R(108)+C10H15(18437)<=>C7H13R(62)+C10H14(18433) 2.451708e+27 -4.376 7.020 + +! Reaction index: Chemkin #7107; RMG #712342 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H10L(103)+C10H15(18437)<=>C6H11L(63)+C10H14(18433) 2.451708e+27 -4.376 7.020 + +! Reaction index: Chemkin #7108; RMG #712382 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); CH3(74), C(75); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +CH3(74)+C10H15(18437)<=>C(75)+C10H14(18433) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #7109; RMG #712532 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6R(79)+C10H15(18437)<=>C4H7R(81)+C10H14(18433) 2.451708e+27 -4.376 6.234 + +! Reaction index: Chemkin #7110; RMG #712560 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); H(82), [H][H](83); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_N-4R->C +! Multiplied by reaction path degeneracy 6.0 +H(82)+C10H15(18437)<=>[H][H](83)+C10H14(18433) 4.338000e+13 0.000 2.542 + +! Reaction index: Chemkin #7111; RMG #712566 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C5H8L(77)+C10H15(18437)<=>C5H9L(84)+C10H14(18433) 2.451708e+27 -4.376 7.008 + +! Reaction index: Chemkin #7112; RMG #712606 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C3H4L(219)+C10H15(18437)<=>C3H5L(86)+C10H14(18433) 2.451708e+27 -4.376 6.234 + +! Reaction index: Chemkin #7113; RMG #712670 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C7H15(85)+C10H15(18437)<=>CC(C)CC(C)C(87)+C10H14(18433) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #7114; RMG #712788 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C10H15(18437)<=>CCC(95)+C10H14(18433) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #7115; RMG #712794 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +[CH2]CC(195)+C10H15(18437)<=>CCC(95)+C10H14(18433) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #7116; RMG #712800 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H10R(90)+C10H15(18437)<=>C6H11R(98)+C10H14(18433) 2.451708e+27 -4.376 7.008 + +! Reaction index: Chemkin #7117; RMG #713027 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H10L(169)+C10H15(18437)<=>C6H11L(107)+C10H14(18433) 2.451708e+27 -4.376 7.329 + +! Reaction index: Chemkin #7118; RMG #713039 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H10L(103)+C10H15(18437)<=>C6H11L(107)+C10H14(18433) 2.451708e+27 -4.376 6.234 + +! Reaction index: Chemkin #7119; RMG #713101 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(113)+C10H15(18437)<=>C6H10(110)+C10H14(18433) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #7120; RMG #713315 +! Template reaction: H_Abstraction +! Flux pairs: C6H10(110), C6H9(113); C12H15(337), C12H16(18717); +! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C6H10(110)+C12H15(337)<=>C6H9(113)+C12H16(18717) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #7121; RMG #713548 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C6H9(160)+C10H15(18437)<=>C6H10(116)+C10H14(18433) 4.903416e+27 -4.376 7.596 + +! Reaction index: Chemkin #7122; RMG #713554 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H9(114)+C10H15(18437)<=>C6H10(116)+C10H14(18433) 2.451708e+27 -4.376 7.596 + +! Reaction index: Chemkin #7123; RMG #713684 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C6H7(123)+C10H15(18437)<=>C6H8(118)+C10H14(18433) 4.903416e+27 -4.376 6.989 + +! Reaction index: Chemkin #7124; RMG #713690 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(239)+C10H15(18437)<=>C6H8(118)+C10H14(18433) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #7125; RMG #713746 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C7H12R(199)+C10H15(18437)<=>C7H13R(120)+C10H14(18433) 2.451708e+27 -4.376 7.329 + +! Reaction index: Chemkin #7126; RMG #713764 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C7H12R(108)+C10H15(18437)<=>C7H13R(120)+C10H14(18433) 2.451708e+27 -4.376 6.234 + +! Reaction index: Chemkin #7127; RMG #713792 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C6H7(123)+C10H15(18437)<=>C6H8(125)+C10H14(18433) 4.903416e+27 -4.376 7.071 + +! Reaction index: Chemkin #7128; RMG #714026 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 12.0 +C4H7(156)+C10H15(18437)<=>C4H8(157)+C10H14(18433) 6.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #7129; RMG #714192 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 12.0 +C5H7(174)+C10H15(18437)<=>C5H8(173)+C10H14(18433) 6.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #7130; RMG #714345 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(179); C10H13(202), C10H14(18433); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H13(202)+C10H15(18437)<=>C10H14(18433)+C10H14(179) 2.451708e+27 -4.376 7.657 + +! Reaction index: Chemkin #7131; RMG #714441 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 12.0 +C5H7(178)+C10H15(18437)<=>C5H8(180)+C10H14(18433) 4.903416e+27 -4.376 7.596 + +! Reaction index: Chemkin #7132; RMG #714557 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 30.0 +C5H5(189)+C10H15(18437)<=>C5H6(187)+C10H14(18433) 1.225854e+28 -4.376 6.973 + +! Reaction index: Chemkin #7133; RMG #714691 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C8H13(191), C8H12(194); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H13(191)+C12H15(337)<=>C8H12(194)+C12H16(18717) 1.225854e+27 -4.376 7.628 + +! Reaction index: Chemkin #7134; RMG #715463 +! Template reaction: Disproportionation +! Flux pairs: C11H15(234), C11H16(229); C10H15(18437), C10H14(18433); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H15(18437)+C11H15(234)<=>C10H14(18433)+C11H16(229) 2.451708e+27 -4.376 7.596 + +! Reaction index: Chemkin #7135; RMG #715681 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C10H14R(316), C10H13R(240); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H14R(316)+C12H15(337)<=>C10H13R(240)+C12H16(18717) 1.225854e+27 -4.376 7.443 + +! Reaction index: Chemkin #7136; RMG #716891 +! Template reaction: Disproportionation +! Flux pairs: C12H15(323), C12H16(269); C10H15(18437), C10H14(18433); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H15(18437)+C12H15(323)<=>C10H14(18433)+C12H16(269) 2.451708e+27 -4.376 7.657 + +! Reaction index: Chemkin #7137; RMG #717297 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C9H13(260), C9H12(272); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(260)+C12H15(337)<=>C9H12(272)+C12H16(18717) 1.225854e+27 -4.376 7.628 + +! Reaction index: Chemkin #7138; RMG #717735 +! Template reaction: Disproportionation +! Flux pairs: C11H13(298), C11H14(276); C10H15(18437), C10H14(18433); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H15(18437)+C11H13(298)<=>C10H14(18433)+C11H14(276) 2.451708e+27 -4.376 7.657 + +! Reaction index: Chemkin #7139; RMG #717863 +! Template reaction: Disproportionation +! Flux pairs: C12H15(22038), C12H16(18717); C12H15(337), C12H14(277); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C12H15(337)+C12H15(22038)<=>C12H14(277)+C12H16(18717) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #7140; RMG #718059 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H8R(287)+C10H15(18437)<=>C6H9R(285)+C10H14(18433) 2.451708e+27 -4.376 8.172 + +! Reaction index: Chemkin #7141; RMG #718144 +! Template reaction: H_Abstraction +! Flux pairs: C6H9R(1802), C6H8R(287); C12H15(337), C12H16(18717); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H9R(1802)+C12H15(337)<=>C6H8R(287)+C12H16(18717) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #7142; RMG #718238 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(239)+C10H15(18437)<=>C6H8(290)+C10H14(18433) 2.451708e+27 -4.376 9.002 + +! Reaction index: Chemkin #7143; RMG #718742 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H10L(169)+C10H15(18437)<=>C6H11L(325)+C10H14(18433) 2.451708e+27 -4.376 7.370 + +! Reaction index: Chemkin #7144; RMG #718782 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C7H12R(199)+C10H15(18437)<=>C7H13R(330)+C10H14(18433) 2.451708e+27 -4.376 7.370 + +! Reaction index: Chemkin #7145; RMG #719162 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C +! Multiplied by reaction path degeneracy 6.0 +[CH2]C(C)C(399)+C10H15(18437)<=>CC(C)C(29484)+C10H14(18433) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #7146; RMG #719672 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C9H13(311), C9H12(18323); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H13(311)+C12H15(337)<=>C9H12(18323)+C12H16(18717) 1.225854e+27 -4.376 7.628 + +! Reaction index: Chemkin #7147; RMG #720028 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H7(239)+C10H15(18437)<=>C6H8(18175)+C10H14(18433) 2.451708e+27 -4.376 10.193 + +! Reaction index: Chemkin #7148; RMG #720166 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C9H12R(18225), C9H11R(18275); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12R(18225)+C12H15(337)<=>C9H11R(18275)+C12H16(18717) 1.225854e+27 -4.376 7.301 + +! Reaction index: Chemkin #7149; RMG #720564 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C10H14R(316), C10H13R(18283); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H14R(316)+C12H15(337)<=>C10H13R(18283)+C12H16(18717) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7150; RMG #721024 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C10H15(18437), C10H14(18433); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H15(18437)+C12H15(18406)<=>C10H14(18433)+C12H16(18680) 2.451708e+27 -4.376 7.657 + +! Reaction index: Chemkin #7151; RMG #721948 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C9H12L(293), C9H11L(18431); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C9H12L(293)+C12H15(337)<=>C9H11L(18431)+C12H16(18717) 1.225854e+27 -4.376 7.443 + +! Reaction index: Chemkin #7152; RMG #722746 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C10H14R(18285), C10H13R(18278); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H14R(18285)+C12H15(337)<=>C10H13R(18278)+C12H16(18717) 2.451708e+27 -4.376 7.511 + +! Reaction index: Chemkin #7153; RMG #722992 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C10H15(18437), C10H14(18433); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H15(18437)+C11H13(18468)<=>C10H14(18433)+C11H14(18772) 2.451708e+27 -4.376 7.657 + +! Reaction index: Chemkin #7154; RMG #723088 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C6H8R(287)+C10H15(18437)<=>C6H9R(1802)+C10H14(18433) 2.451708e+27 -4.376 8.853 + +! Reaction index: Chemkin #7155; RMG #723224 +! Template reaction: Disproportionation +! Flux pairs: C10H15(18437), C10H14(18433); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C4H6L(1895)+C10H15(18437)<=>C4H7L(36302)+C10H14(18433) 2.451708e+27 -4.376 6.234 + +! Reaction index: Chemkin #7156; RMG #723354 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C10H14R(247), C10H13R(18281); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C10H14R(247)+C12H15(337)<=>C10H13R(18281)+C12H16(18717) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7157; RMG #723602 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C10H15(18437), C10H14(18433); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C10H15(18437)+C12H15(337)<=>C10H14(18433)+C12H16(18717) 2.451708e+27 -4.376 7.596 + +! Reaction index: Chemkin #7158; RMG #143508 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5R(12), C9H12R(18184); C6H7(239), C9H12R(18184); +! Estimated using an average for rate rule [Cds-HH_Cds-CsH;CsJ-CdCsH] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +C3H5R(12)+C6H7(239)<=>C9H12R(18184) 3.860000e+03 2.410 11.370 + +! Reaction index: Chemkin #7159; RMG #186651 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(65), RC10L(1); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C9H17LR(65)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7160; RMG #186657 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(69), RC10L(1); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C9H17LR(69)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7161; RMG #186663 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(66), RC10L(1); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C9H17LR(66)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7162; RMG #186669 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(68), RC10L(1); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C9H17LR(68)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7163; RMG #186675 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(72), RC10L(1); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C9H17LR(72)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7164; RMG #186681 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(73), RC10L(1); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C9H17LR(73)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7165; RMG #186687 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(71), RC10L(1); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C9H17LR(71)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7166; RMG #186693 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(67), RC10L(1); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C9H17LR(67)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7167; RMG #186699 +! Library reaction: restart_edge +! Flux pairs: C9H17LR(70), RC10L(1); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C9H17LR(70)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7168; RMG #186753 +! Library reaction: restart_edge +! Flux pairs: C10H20R(64), RC10(2); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C10H20R(64)<=>C9H11R(263)+RC10(2) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7169; RMG #186807 +! Library reaction: restart_edge +! Flux pairs: C10H20L(76), LC10(3); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C10H20L(76)<=>C9H11R(263)+LC10(3) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7170; RMG #186813 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C9H12R(18184)<=>C3H5R(12)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7171; RMG #186853 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C9H12R(18184)<=>CC(C)L(13)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7172; RMG #186871 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C9H12R(18184)<=>CCCC(C)L(16)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7173; RMG #186895 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C9H12R(18184)<=>C6H11R(17)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7174; RMG #186941 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C9H12R(18184)<=>C3H6(18)+C9H11R(263) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #7175; RMG #187015 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C9H12R(18184)<=>CC(C)CR(20)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7176; RMG #187085 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C9H12R(18184)<=>CR(22)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7177; RMG #187121 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H14R(9)+C9H12R(18184)<=>CC(C)CC(C)CR(23)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7178; RMG #187133 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C9H12R(18184)<=>C5H9L(24)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7179; RMG #187191 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H12L(11)+C9H12R(18184)<=>CC(C)CC(C)L(25)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7180; RMG #187209 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C9H12R(18184)<=>CCL(26)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7181; RMG #187215 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C9H12R(18184)<=>CCCR(27)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7182; RMG #187245 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C9H12R(18184)<=>CCCC(C)CR(32)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7183; RMG #187269 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C9H12R(18184)<=>C6H11R(56)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7184; RMG #187287 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C9H12R(18184)<=>C6H11R(56)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7185; RMG #187321 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C9H12R(18184)<=>C5H9L(57)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7186; RMG #187333 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C9H12R(18184)<=>C5H9L(57)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7187; RMG #187367 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C9H12R(18184)<=>C3H5R(58)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7188; RMG #187401 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C9H12R(18184)<=>C3H5L(59)+C9H11R(263) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #7189; RMG #187429 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(224)+C9H12R(18184)<=>C4H7R(60)+C9H11R(263) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #7190; RMG #187435 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C9H12R(18184)<=>C4H7R(60)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7191; RMG #187463 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H14L(112)+C9H12R(18184)<=>C8H15L(61)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7192; RMG #187533 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(108)+C9H12R(18184)<=>C7H13R(62)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7193; RMG #187585 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C9H12R(18184)<=>C6H11L(63)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7194; RMG #187625 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C9H12R(18184)<=>C(75)+C9H11R(263) 1.150000e+13 -0.320 0.000 +DUPLICATE + +! Reaction index: Chemkin #7195; RMG #187629 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(74)+C9H12R(18184)<=>C(75)+C9H11R(263) 9.124700e+12 -0.160 0.000 +DUPLICATE + +! Reaction index: Chemkin #7196; RMG #187635 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C9H12R(18184)<=>C4H7R(81)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7197; RMG #187663 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C9H12R(18184)<=>[H][H](83)+C9H11R(263) 1.191690e+10 0.568 0.000 + +! Reaction index: Chemkin #7198; RMG #187670 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C9H12R(18184)<=>C5H9L(84)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7199; RMG #187710 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C9H12R(18184)<=>C6H11R(98)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7200; RMG #187756 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C9H12R(18184)<=>C6H11L(107)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7201; RMG #187768 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C9H12R(18184)<=>C6H11L(107)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7202; RMG #187802 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(113)+C9H12R(18184)<=>C6H10(110)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7203; RMG #187858 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(199)+C9H12R(18184)<=>C7H13R(120)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7204; RMG #187876 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(108)+C9H12R(18184)<=>C7H13R(120)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7205; RMG #188090 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9L2(203)+C9H12R(18184)<=>CC(L)CC(C)L(35)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7206; RMG #188312 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C9H12R(18184)<=>C8H17L(49)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7207; RMG #188374 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C9H12R(18184)<=>C3H5L(86)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7208; RMG #188420 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H15(85)+C9H12R(18184)<=>CC(C)CC(C)C(87)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7209; RMG #188482 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]C(94)+C9H12R(18184)<=>CCC(95)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7210; RMG #188488 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C9H12R(18184)<=>CCC(95)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7211; RMG #188692 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C9H12R(18184)<=>C6H10(116)+C9H11R(263) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #7212; RMG #188698 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H12R(18184)<=>C6H10(116)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7213; RMG #188732 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C9H12R(18184)<=>C6H8(118)+C9H11R(263) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #7214; RMG #188738 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C9H12R(18184)<=>C6H8(118)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7215; RMG #188794 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C9H12R(18184)<=>C6H8(125)+C9H11R(263) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #7216; RMG #188856 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H7(156)+C9H12R(18184)<=>C4H8(157)+C9H11R(263) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #7217; RMG #188952 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C9H12R(18184)<=>C5H8(173)+C9H11R(263) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #7218; RMG #189020 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C9H12R(18184)<=>C5H8(180)+C9H11R(263) 3.095870e+12 0.025 0.000 + +! Reaction index: Chemkin #7219; RMG #189040 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C5H5(189)+C9H12R(18184)<=>C5H6(187)+C9H11R(263) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #7220; RMG #193817 +! Library reaction: restart_edge +! Flux pairs: C10H13(202), C10H14(179); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C10H13(202)<=>C9H11R(263)+C10H14(179) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7221; RMG #194511 +! Library reaction: restart_edge +! Flux pairs: C11H15(234), C11H16(229); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C11H15(234)<=>C9H11R(263)+C11H16(229) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7222; RMG #259266 +! Library reaction: restart_edge +! Flux pairs: C12H15(323), C12H16(269); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C12H15(323)<=>C9H11R(263)+C12H16(269) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7223; RMG #259590 +! Library reaction: restart_edge +! Flux pairs: C11H13(298), C11H14(276); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C11H13(298)<=>C9H11R(263)+C11H14(276) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7224; RMG #269475 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C9H12R(18184)<=>C6H9R(285)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7225; RMG #279454 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C9H12R(18184)<=>C6H8(290)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7226; RMG #349319 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C9H12R(18184)<=>C6H11L(325)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7227; RMG #370713 +! Library reaction: restart_edge +! Flux pairs: C9H12R(18184), C9H11R(263); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(199)+C9H12R(18184)<=>C7H13R(330)+C9H11R(263) 1.547940e+12 0.025 0.000 + +! Reaction index: Chemkin #7228; RMG #409583 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18184), C9H11R(263); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C9H12R(18184)<=>CC(C)C(29484)+C9H11R(263) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7229; RMG #467736 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18184), C9H11R(263); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C9H12R(18184)<=>C6H8(18175)+C9H11R(263) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7230; RMG #524069 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C12H15(18406)<=>C9H11R(263)+C12H16(18680) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7231; RMG #638035 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C11H13(18468)<=>C9H11R(263)+C11H14(18772) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7232; RMG #653677 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18184), C9H11R(263); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C9H12R(18184)<=>C6H9R(1802)+C9H11R(263) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7233; RMG #680618 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18184), C9H11R(263); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C9H12R(18184)<=>C4H7L(36302)+C9H11R(263) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7234; RMG #716249 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C9H12R(18184), C9H11R(263); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18184)+C12H15(337)<=>C9H11R(263)+C12H16(18717) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7235; RMG #723740 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C9H11R(263), C9H12R(18184); H(82), C9H12R(18184); +! From training reaction 2935 used for Cds-CsH_Cds-CsH;HJ +! Exact match found for rate rule [Cds-CsH_Cds-CsH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C9H11R(263)<=>C9H12R(18184) 8.892000e+09 1.073 2.175 + +! Reaction index: Chemkin #7236; RMG #724611 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C10H15(183), C10H14(184); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C10H15(183)+C12H15(337)<=>C10H14(184)+C12H16(18717) 1.225854e+27 -4.376 10.059 + +! Reaction index: Chemkin #7237; RMG #724759 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C10H13(202), C10H12(201); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C10H13(202)+C12H15(337)<=>C10H12(201)+C12H16(18717) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #7238; RMG #725461 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C11H15(18464), C11H14(246); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H15(18464)+C12H15(337)<=>C11H14(246)+C12H16(18717) 1.225854e+27 -4.376 10.059 + +! Reaction index: Chemkin #7239; RMG #725725 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C12H15(18389), C12H14(257); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C12H15(18389)+C12H15(337)<=>C12H14(257)+C12H16(18717) 1.225854e+27 -4.376 11.307 + +! Reaction index: Chemkin #7240; RMG #726353 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C11H15(256), C11H14(271); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H15(256)+C12H15(337)<=>C11H14(271)+C12H16(18717) 1.225854e+27 -4.376 10.059 + +! Reaction index: Chemkin #7241; RMG #728803 +! Template reaction: Disproportionation +! Flux pairs: C12H17(266), C12H16(18717); C12H15(337), C12H16(18380); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C12H15(337)+C12H17(266)<=>C12H16(18380)+C12H16(18717) 1.225854e+27 -4.376 10.255 + +! Reaction index: Chemkin #7242; RMG #729421 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C11H17(238), C11H16(11281); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H17(238)+C12H15(337)<=>C11H16(11281)+C12H16(18717) 1.225854e+27 -4.376 10.059 + +! Reaction index: Chemkin #7243; RMG #729431 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C11H17(181), C11H16(11281); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C11H17(181)+C12H15(337)<=>C11H16(11281)+C12H16(18717) 1.225854e+27 -4.376 10.255 + +! Reaction index: Chemkin #7244; RMG #322092 +! Library reaction: restart_edge +! Flux pairs: C9H13(311), C9H13(26444); +! Estimated from node Backbone2_N-Sp-3R!H=1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-4R!H-R_Sp-7R!H=6R!H +C9H13(311)<=>C9H13(26444) 2.296220e+09 0.980 14.394 + +! Reaction index: Chemkin #7245; RMG #143499 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C3H5R(12), C9H12R(18180); C6H7(239), C9H12R(18180); +! Estimated using template [Cds-HH_Cds-CsH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsH;CsJ-(CdC)HH] +! Euclidian distance = 1.0 +! family: R_Addition_MultipleBond +C3H5R(12)+C6H7(239)<=>C9H12R(18180) 6.550000e+02 2.620 10.900 + +! Reaction index: Chemkin #7246; RMG #410558 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(65), RC10L(1); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C9H17LR(65)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7247; RMG #410564 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(69), RC10L(1); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C9H17LR(69)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7248; RMG #410570 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(66), RC10L(1); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C9H17LR(66)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7249; RMG #410576 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(68), RC10L(1); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C9H17LR(68)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7250; RMG #410582 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(72), RC10L(1); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C9H17LR(72)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7251; RMG #410588 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(73), RC10L(1); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C9H17LR(73)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7252; RMG #410594 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(71), RC10L(1); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C9H17LR(71)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7253; RMG #410600 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(67), RC10L(1); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C9H17LR(67)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7254; RMG #410606 +! Template reaction: Disproportionation +! Flux pairs: C9H17LR(70), RC10L(1); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C9H17LR(70)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7255; RMG #410660 +! Template reaction: Disproportionation +! Flux pairs: C10H20R(64), RC10(2); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C10H20R(64)<=>C9H11R(18276)+RC10(2) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7256; RMG #410714 +! Template reaction: Disproportionation +! Flux pairs: C10H20L(76), LC10(3); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C10H20L(76)<=>C9H11R(18276)+LC10(3) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7257; RMG #410720 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C3H4R(78), C3H5R(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C9H12R(18180)<=>C3H5R(12)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7258; RMG #410760 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); [CH2]C(C)L(4), CC(C)L(13); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)L(4)+C9H12R(18180)<=>CC(C)L(13)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7259; RMG #410778 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C9H12R(18180)<=>CCCC(C)L(16)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7260; RMG #410802 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H10R(171), C6H11R(17); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C9H12R(18180)<=>C6H11R(17)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7261; RMG #410848 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C3H5(102), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H5(102)+C9H12R(18180)<=>C3H6(18)+C9H11R(18276) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #7262; RMG #410922 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)CR(6)+C9H12R(18180)<=>CC(C)CR(20)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7263; RMG #410992 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); [CH2]R(14), CR(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]R(14)+C9H12R(18180)<=>CR(22)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7264; RMG #411028 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C7H14R(9), CC(C)CC(C)CR(23); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H14R(9)+C9H12R(18180)<=>CC(C)CC(C)CR(23)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7265; RMG #411040 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C5H8L(89), C5H9L(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C9H12R(18180)<=>C5H9L(24)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7266; RMG #411098 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H12L(11), CC(C)CC(C)L(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H12L(11)+C9H12R(18180)<=>CC(C)CC(C)L(25)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7267; RMG #411116 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C[CH]L(8), CCL(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]L(8)+C9H12R(18180)<=>CCL(26)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7268; RMG #411122 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C[CH]CR(10), CCCR(27); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C9H12R(18180)<=>CCCR(27)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7269; RMG #411152 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C9H12R(18180)<=>CCCC(C)CR(32)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7270; RMG #411176 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H10R(90), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C9H12R(18180)<=>C6H11R(56)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7271; RMG #411194 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H10R(171), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(171)+C9H12R(18180)<=>C6H11R(56)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7272; RMG #411228 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C5H8L(77), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C9H12R(18180)<=>C5H9L(57)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7273; RMG #411240 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C5H8L(89), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(89)+C9H12R(18180)<=>C5H9L(57)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7274; RMG #411274 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C3H4R(78), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4R(78)+C9H12R(18180)<=>C3H5R(58)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7275; RMG #411308 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C3H4L(147), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C3H4L(147)+C9H12R(18180)<=>C3H5L(59)+C9H11R(18276) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #7276; RMG #411336 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C4H6R(224), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H6R(224)+C9H12R(18180)<=>C4H7R(60)+C9H11R(18276) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #7277; RMG #411342 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C4H6R(79), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C9H12R(18180)<=>C4H7R(60)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7278; RMG #411370 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C8H14L(112), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H14L(112)+C9H12R(18180)<=>C8H15L(61)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7279; RMG #411440 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C7H12R(108), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(108)+C9H12R(18180)<=>C7H13R(62)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7280; RMG #411492 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H10L(103), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C9H12R(18180)<=>C6H11L(63)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7281; RMG #411532 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); CH3(74), C(75); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 +CH3(74)+C9H12R(18180)<=>C(75)+C9H11R(18276) 1.150000e+13 -0.320 0.000 + +! Reaction index: Chemkin #7282; RMG #411538 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C4H6R(79), C4H7R(81); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6R(79)+C9H12R(18180)<=>C4H7R(81)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7283; RMG #411566 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); H(82), [H][H](83); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(82)+C9H12R(18180)<=>[H][H](83)+C9H11R(18276) 1.191692e+10 0.568 0.000 + +! Reaction index: Chemkin #7284; RMG #411572 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C5H8L(77), C5H9L(84); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H8L(77)+C9H12R(18180)<=>C5H9L(84)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7285; RMG #411612 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C3H4L(219), C3H5L(86); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C3H4L(219)+C9H12R(18180)<=>C3H5L(86)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7286; RMG #411658 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C7H15(85), CC(C)CC(C)C(87); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H15(85)+C9H12R(18180)<=>CC(C)CC(C)C(87)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7287; RMG #411720 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C[CH]C(94), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]C(94)+C9H12R(18180)<=>CCC(95)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7288; RMG #411726 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); [CH2]CC(195), CCC(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C9H12R(18180)<=>CCC(95)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7289; RMG #411732 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H10R(90), C6H11R(98); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C9H12R(18180)<=>C6H11R(98)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7290; RMG #411834 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H10L(169), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C9H12R(18180)<=>C6H11L(107)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7291; RMG #411846 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H10L(103), C6H11L(107); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(103)+C9H12R(18180)<=>C6H11L(107)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7292; RMG #411880 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H9(113), C6H10(110); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(113)+C9H12R(18180)<=>C6H10(110)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7293; RMG #411942 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H9(160), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C9H12R(18180)<=>C6H10(116)+C9H11R(18276) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #7294; RMG #411948 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H9(114), C6H10(116); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C9H12R(18180)<=>C6H10(116)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7295; RMG #411982 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C7H12R(199), C7H13R(120); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(199)+C9H12R(18180)<=>C7H13R(120)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7296; RMG #412000 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C7H12R(108), C7H13R(120); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(108)+C9H12R(18180)<=>C7H13R(120)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7297; RMG #412028 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C4H7(156), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C4H7(156)+C9H12R(18180)<=>C4H8(157)+C9H11R(18276) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #7298; RMG #412056 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C5H7(174), C5H8(173); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(174)+C9H12R(18180)<=>C5H8(173)+C9H11R(18276) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #7299; RMG #412124 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C5H7(178), C5H8(180); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C5H7(178)+C9H12R(18180)<=>C5H8(180)+C9H11R(18276) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #7300; RMG #412214 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H10L(169), C6H11L(325); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10L(169)+C9H12R(18180)<=>C6H11L(325)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7301; RMG #412260 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); [CH2]C(C)C(399), CC(C)C(29484); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]C(C)C(399)+C9H12R(18180)<=>CC(C)C(29484)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7302; RMG #412398 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C5H9L2(203), CC(L)CC(C)L(35); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C5H9L2(203)+C9H12R(18180)<=>CC(L)CC(C)L(35)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7303; RMG #412824 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C8H16L(15), C8H17L(49); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C9H12R(18180)<=>C8H17L(49)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7304; RMG #413188 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H7(123), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C9H12R(18180)<=>C6H8(118)+C9H11R(18276) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #7305; RMG #413194 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H7(239), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C9H12R(18180)<=>C6H8(118)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7306; RMG #413250 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H7(123), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 4.0 +C6H7(123)+C9H12R(18180)<=>C6H8(125)+C9H11R(18276) 3.095872e+12 0.025 0.000 + +! Reaction index: Chemkin #7307; RMG #413504 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C5H5(189), C5H6(187); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 10.0 +C5H5(189)+C9H12R(18180)<=>C5H6(187)+C9H11R(18276) 7.739680e+12 0.025 0.000 + +! Reaction index: Chemkin #7308; RMG #414728 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H8R(287), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C9H12R(18180)<=>C6H9R(285)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7309; RMG #414860 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H7(239), C6H8(290); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C9H12R(18180)<=>C6H8(290)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7310; RMG #415396 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C7H12R(199), C7H13R(330); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C7H12R(199)+C9H12R(18180)<=>C7H13R(330)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7311; RMG #418986 +! Template reaction: Disproportionation +! Flux pairs: C10H13(202), C10H14(179); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C10H13(202)<=>C9H11R(18276)+C10H14(179) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7312; RMG #429327 +! Template reaction: Disproportionation +! Flux pairs: C11H15(234), C11H16(229); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C11H15(234)<=>C9H11R(18276)+C11H16(229) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7313; RMG #437007 +! Template reaction: Disproportionation +! Flux pairs: C12H15(323), C12H16(269); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C12H15(323)<=>C9H11R(18276)+C12H16(269) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7314; RMG #437891 +! Template reaction: Disproportionation +! Flux pairs: C11H13(298), C11H14(276); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C11H13(298)<=>C9H11R(18276)+C11H14(276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7315; RMG #469682 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H7(239), C6H8(18175); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C9H12R(18180)<=>C6H8(18175)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7316; RMG #510360 +! Template reaction: Disproportionation +! Flux pairs: C12H15(18406), C12H16(18680); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C12H15(18406)<=>C9H11R(18276)+C12H16(18680) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7317; RMG #643904 +! Template reaction: Disproportionation +! Flux pairs: C11H13(18468), C11H14(18772); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C11H13(18468)<=>C9H11R(18276)+C11H14(18772) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7318; RMG #656490 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C6H8R(287), C6H9R(1802); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H8R(287)+C9H12R(18180)<=>C6H9R(1802)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7319; RMG #682544 +! Template reaction: Disproportionation +! Flux pairs: C9H12R(18180), C9H11R(18276); C4H6L(1895), C4H7L(36302); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C9H12R(18180)<=>C4H7L(36302)+C9H11R(18276) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7320; RMG #719264 +! Template reaction: Disproportionation +! Flux pairs: C12H15(337), C12H16(18717); C9H12R(18180), C9H11R(18276); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C9H12R(18180)+C12H15(337)<=>C9H11R(18276)+C12H16(18717) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7321; RMG #729745 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C9H11R(18276), C9H12R(18180); H(82), C9H12R(18180); +! From training reaction 2935 used for Cds-CsH_Cds-CsH;HJ +! Exact match found for rate rule [Cds-CsH_Cds-CsH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(82)+C9H11R(18276)<=>C9H12R(18180) 8.892000e+09 1.073 2.175 + +! Reaction index: Chemkin #7322; RMG #729742 +! Template reaction: Intra_R_Add_Endocyclic +! Flux pairs: C9H12R(18180), C9H12R(39454); +! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing +C9H12R(18180)<=>C9H12R(39454) 1.260000e+11 0.160 6.026 + +! Reaction index: Chemkin #7323; RMG #144700 +! Library reaction: restart_edge +! Flux pairs: C4H6R(224), C10H13R(18540); C6H7(239), C10H13R(18540); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +! Multiplied by reaction path degeneracy 2.0 +C4H6R(224)+C6H7(239)<=>C10H13R(18540) 3.535860e+16 -1.003 0.000 + +! Reaction index: Chemkin #7324; RMG #148266 +! Library reaction: restart_edge +! Flux pairs: C6H7(239), C12H16(18724); C6H9(161), C12H16(18724); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +C6H7(239)+C6H9(161)<=>C12H16(18724) 6.962580e+13 -0.158 0.000 + +! Reaction index: Chemkin #7325; RMG #263175 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); RC10L(1), C9H17LR(65); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C10H12L(282)<=>C9H17LR(65)+C10H13L(22766) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #7326; RMG #263176 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); RC10L(1), C9H17LR(69); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C10H12L(282)<=>C9H17LR(69)+C10H13L(22766) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #7327; RMG #263177 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C9H17LR(66), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(66)+C10H13L(22766)<=>RC10L(1)+C10H12L(282) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #7328; RMG #263178 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C9H17LR(68), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(68)+C10H13L(22766)<=>RC10L(1)+C10H12L(282) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #7329; RMG #263179 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); RC10L(1), C9H17LR(72); +! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +RC10L(1)+C10H12L(282)<=>C9H17LR(72)+C10H13L(22766) 6.950000e-03 4.340 14.900 + +! Reaction index: Chemkin #7330; RMG #263180 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C9H17LR(73), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(73)+C10H13L(22766)<=>RC10L(1)+C10H12L(282) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #7331; RMG #263181 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C9H17LR(71), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(71)+C10H13L(22766)<=>RC10L(1)+C10H12L(282) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #7332; RMG #263182 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C9H17LR(67), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(67)+C10H13L(22766)<=>RC10L(1)+C10H12L(282) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #7333; RMG #263183 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C9H17LR(70), RC10L(1); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C9H17LR(70)+C10H13L(22766)<=>RC10L(1)+C10H12L(282) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #7334; RMG #263189 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); C3H5R(12), C3H4R(78); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H5R(12)+C10H12L(282)<=>C3H4R(78)+C10H13L(22766) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #7335; RMG #263199 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); C3H6(18), C3H5(102); +! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs +! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C3H6(18)+C10H12L(282)<=>C3H5(102)+C10H13L(22766) 2.691000e-03 4.340 14.300 + +! Reaction index: Chemkin #7336; RMG #263213 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); [CH2]R(14), CR(22); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]R(14)+C10H13L(22766)<=>CR(22)+C10H12L(282) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #7337; RMG #263217 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C[CH]L(8), CCL(26); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]L(8)+C10H13L(22766)<=>CCL(26)+C10H12L(282) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #7338; RMG #263221 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C[CH]CR(10), CCCR(27); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CR(10)+C10H13L(22766)<=>CCCR(27)+C10H12L(282) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #7339; RMG #263232 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); C6H11R(56), C6H10R(90); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11R(56)+C10H12L(282)<=>C6H10R(90)+C10H13L(22766) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #7340; RMG #263235 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C6H10R(171), C6H11R(56); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10R(171)+C10H13L(22766)<=>C6H11R(56)+C10H12L(282) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #7341; RMG #263247 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); C5H9L(57), C5H8L(77); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C5H9L(57)+C10H12L(282)<=>C5H8L(77)+C10H13L(22766) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #7342; RMG #263249 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C5H8L(89), C5H9L(57); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H8L(89)+C10H13L(22766)<=>C5H9L(57)+C10H12L(282) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #7343; RMG #263259 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C3H4R(78), C3H5R(58); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C3H4R(78)+C10H13L(22766)<=>C3H5R(58)+C10H12L(282) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #7344; RMG #263268 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C3H4L(147), C3H5L(59); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C3H4L(147)+C10H13L(22766)<=>C3H5L(59)+C10H12L(282) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #7345; RMG #263277 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C4H6R(224), C4H7R(60); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C4H6R(224)+C10H13L(22766)<=>C4H7R(60)+C10H12L(282) 1.808000e-02 4.340 11.200 + +! Reaction index: Chemkin #7346; RMG #263278 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); C4H7R(60), C4H6R(79); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H7R(60)+C10H12L(282)<=>C4H6R(79)+C10H13L(22766) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #7347; RMG #263283 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); C(75), CH3(74); +! From training reaction 830 used for C_methane;C_rad/H/CdCs +! Exact match found for rate rule [C_methane;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(75)+C10H12L(282)<=>CH3(74)+C10H13L(22766) 4.240000e-02 4.340 24.900 + +! Reaction index: Chemkin #7348; RMG #263288 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C4H6R(79), C4H7R(81); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C4H6R(79)+C10H13L(22766)<=>C4H7R(81)+C10H12L(282) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #7349; RMG #263298 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); C5H9L(84), C5H8L(77); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(84)+C10H12L(282)<=>C5H8L(77)+C10H13L(22766) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #7350; RMG #263328 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); C6H10(116), C6H9(160); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C10H12L(282)<=>C6H9(160)+C10H13L(22766) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #7351; RMG #263329 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); C6H10(116), C6H9(114); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10(116)+C10H12L(282)<=>C6H9(114)+C10H13L(22766) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #7352; RMG #282291 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); [CH2]C(C)L(4), CC(C)L(13); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)L(4)+C10H13L(22766)<=>CC(C)L(13)+C10H12L(282) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #7353; RMG #282319 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); [CH2]C(C)CR(6), CC(C)CR(20); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]C(C)CR(6)+C10H13L(22766)<=>CC(C)CR(20)+C10H12L(282) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #7354; RMG #282505 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); C7H13R(62), C7H12R(108); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H13R(62)+C10H12L(282)<=>C7H12R(108)+C10H13L(22766) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #7355; RMG #282536 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); C6H11L(63), C6H10L(103); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11L(63)+C10H12L(282)<=>C6H10L(103)+C10H13L(22766) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #7356; RMG #282648 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); C6H11L(107), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(107)+C10H12L(282)<=>C6H10L(169)+C10H13L(22766) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #7357; RMG #282650 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C6H10L(103), C6H11L(107); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H10L(103)+C10H13L(22766)<=>C6H11L(107)+C10H12L(282) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #7358; RMG #283051 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); C5H9L(24), C5H8L(89); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C5H9L(24)+C10H12L(282)<=>C5H8L(89)+C10H13L(22766) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #7359; RMG #283065 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C6H12L(11), CC(C)CC(C)L(25); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H12L(11)+C10H13L(22766)<=>CC(C)CC(C)L(25)+C10H12L(282) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #7360; RMG #283412 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); CCC(95), C[CH]C(94); +! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs +! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CCC(95)+C10H12L(282)<=>C[CH]C(94)+C10H13L(22766) 1.476000e-02 4.340 18.000 + +! Reaction index: Chemkin #7361; RMG #283413 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); [CH2]CC(195), CCC(95); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +[CH2]CC(195)+C10H13L(22766)<=>CCC(95)+C10H12L(282) 1.806000e-03 4.340 3.500 + +! Reaction index: Chemkin #7362; RMG #283428 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); C6H11R(98), C6H10R(90); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C6H11R(98)+C10H12L(282)<=>C6H10R(90)+C10H13L(22766) 4.580000e-03 4.340 11.700 + +! Reaction index: Chemkin #7363; RMG #283682 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); C7H13R(120), C7H12R(199); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(120)+C10H12L(282)<=>C7H12R(199)+C10H13L(22766) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #7364; RMG #283685 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C7H12R(108), C7H13R(120); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C7H12R(108)+C10H13L(22766)<=>C7H13R(120)+C10H12L(282) 9.040000e-03 4.340 11.200 + +! Reaction index: Chemkin #7365; RMG #352687 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C[CH]CC(C)L(7), CCCC(C)L(16); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)L(7)+C10H13L(22766)<=>CCCC(C)L(16)+C10H12L(282) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #7366; RMG #354002 +! Template reaction: H_Abstraction +! Flux pairs: C10H13L(22766), C10H12L(282); C[CH]CC(C)CR(5), CCCC(C)CR(32); +! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +C[CH]CC(C)CR(5)+C10H13L(22766)<=>CCCC(C)CR(32)+C10H12L(282) 1.706000e-03 4.340 3.100 + +! Reaction index: Chemkin #7367; RMG #368054 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); C6H11L(325), C6H10L(169); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C6H11L(325)+C10H12L(282)<=>C6H10L(169)+C10H13L(22766) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #7368; RMG #380530 +! Template reaction: H_Abstraction +! Flux pairs: C10H12L(282), C10H13L(22766); C7H13R(330), C7H12R(199); +! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs +! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] +! Euclidian distance = 0 +! family: H_Abstraction +C7H13R(330)+C10H12L(282)<=>C7H12R(199)+C10H13L(22766) 1.150000e-03 4.340 9.300 + +! Reaction index: Chemkin #7369; RMG #668687 +! Template reaction: R_Recombination +! Flux pairs: C4H6L(1895), C10H13L(22766); C6H7(239), C10H13L(22766); +! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R +C4H6L(1895)+C6H7(239)<=>C10H13L(22766) 1.767930e+16 -1.003 0.000 + +! Reaction index: Chemkin #7370; RMG #738699 +! Template reaction: R_Recombination +! Flux pairs: C10H12L(282), C10H13L(22766); H(82), C10H13L(22766); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R +H(82)+C10H12L(282)<=>C10H13L(22766) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #7371; RMG #738897 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C[CH]CR(10), C3H5R(12); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CR(10)+C10H12L(282)<=>C3H5R(12)+C10H13L(22766) 1.225854e+27 -4.376 6.844 + +! Reaction index: Chemkin #7372; RMG #738993 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C[CH]CC(C)CR(5), C6H11R(17); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)CR(5)+C10H12L(282)<=>C6H11R(17)+C10H13L(22766) 1.225854e+27 -4.376 6.661 + +! Reaction index: Chemkin #7373; RMG #739020 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); [CH2]CC(195), C3H6(18); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C +! Multiplied by reaction path degeneracy 2.0 +[CH2]CC(195)+C10H12L(282)<=>C3H6(18)+C10H13L(22766) 2.105300e+14 -0.550 0.000 + +! Reaction index: Chemkin #7374; RMG #739029 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C[CH]C(94), C3H6(18); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C[CH]C(94)+C10H12L(282)<=>C3H6(18)+C10H13L(22766) 2.451708e+27 -4.376 6.742 + +! Reaction index: Chemkin #7375; RMG #739050 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C[CH]L(8), C2H3L(19); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]L(8)+C10H12L(282)<=>C2H3L(19)+C10H13L(22766) 1.225854e+27 -4.376 6.844 + +! Reaction index: Chemkin #7376; RMG #739143 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C8H16L(15), C8H15L(21); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C8H16L(15)+C10H12L(282)<=>C8H15L(21)+C10H13L(22766) 1.225854e+27 -4.376 6.661 + +! Reaction index: Chemkin #7377; RMG #739233 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C[CH]CC(C)L(7), C5H9L(24); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C[CH]CC(C)L(7)+C10H12L(282)<=>C5H9L(24)+C10H13L(22766) 1.225854e+27 -4.376 6.661 + +! Reaction index: Chemkin #7378; RMG #739392 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C[CH]CC(C)CR(5), C6H11R(56); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)CR(5)+C10H12L(282)<=>C6H11R(56)+C10H13L(22766) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7379; RMG #739440 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C[CH]CC(C)L(7), C5H9L(57); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CC(C)L(7)+C10H12L(282)<=>C5H9L(57)+C10H13L(22766) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7380; RMG #739485 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C[CH]CR(10), C3H5R(58); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C[CH]CR(10)+C10H12L(282)<=>C3H5R(58)+C10H13L(22766) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7381; RMG #739506 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); [CH2]C(C)L(4), C3H5L(59); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)L(4)+C10H12L(282)<=>C3H5L(59)+C10H13L(22766) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #7382; RMG #739542 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); [CH2]C(C)CR(6), C4H7R(60); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)CR(6)+C10H12L(282)<=>C4H7R(60)+C10H13L(22766) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #7383; RMG #739608 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C8H16L(15), C8H15L(61); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C8H16L(15)+C10H12L(282)<=>C8H15L(61)+C10H13L(22766) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7384; RMG #739662 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C7H14R(9), C7H13R(62); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C7H14R(9)+C10H12L(282)<=>C7H13R(62)+C10H13L(22766) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #7385; RMG #739710 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C6H12L(11), C6H11L(63); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C6H12L(11)+C10H12L(282)<=>C6H11L(63)+C10H13L(22766) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #7386; RMG #739917 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C4H6L(1895), C4H5L(91); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C4H6L(1895)+C10H12L(282)<=>C4H5L(91)+C10H13L(22766) 1.547936e+12 0.025 0.000 + +! Reaction index: Chemkin #7387; RMG #740241 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C6H9(114), C6H8(118); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C10H12L(282)<=>C6H8(118)+C10H13L(22766) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #7388; RMG #740355 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C6H9(114), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C6H9(114)+C10H12L(282)<=>C6H8(125)+C10H13L(22766) 1.350000e+03 2.700 0.000 + +! Reaction index: Chemkin #7389; RMG #740364 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C6H9(160), C6H8(125); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +! Multiplied by reaction path degeneracy 4.0 +C6H9(160)+C10H12L(282)<=>C6H8(125)+C10H13L(22766) 2.700000e+03 2.700 0.000 + +! Reaction index: Chemkin #7390; RMG #740394 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); [CH2]C(C)C(399), C4H8(157); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +[CH2]C(C)C(399)+C10H12L(282)<=>C4H8(157)+C10H13L(22766) 5.258140e+13 -0.550 0.000 + +! Reaction index: Chemkin #7391; RMG #740562 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C5H8L(89), C5H7L(262); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R +C5H8L(89)+C10H12L(282)<=>C5H7L(262)+C10H13L(22766) 5.258140e+13 -0.550 0.477 + +! Reaction index: Chemkin #7392; RMG #740589 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C5H8L(77), C5H7L(262); +! Estimated from node Root_Ext-2R!H-R_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C5H8L(77)+C10H12L(282)<=>C5H7L(262)+C10H13L(22766) 1.225854e+27 -4.376 9.310 + +! Reaction index: Chemkin #7393; RMG #740655 +! Template reaction: Disproportionation +! Flux pairs: C10H12L(282), C10H13L(22766); C6H10R(90), C6H9R(285); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +C6H10R(90)+C10H12L(282)<=>C6H9R(285)+C10H13L(22766) 1.547936e+12 0.025 0.000 + +END + diff --git a/ipython/data/species_dictionary.txt b/ipython/data/species_dictionary.txt new file mode 100644 index 0000000000..5840bbd90e --- /dev/null +++ b/ipython/data/species_dictionary.txt @@ -0,0 +1,10168 @@ +Ar +1 Ar u0 p4 c0 + +He +1 He u0 p1 c0 + +Ne +1 Ne u0 p4 c0 + +N2 +1 N u0 p1 c0 {2,T} +2 N u0 p1 c0 {1,T} + +RC10L(1) +1 C u0 p0 c0 {3,S} {4,S} {6,S} {10,S} +2 C u0 p0 c0 {3,S} {7,S} {8,S} {11,S} +3 C u0 p0 c0 {1,S} {2,S} {16,S} {17,S} +4 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +5 C u0 p0 c0 {4,S} {9,S} {12,S} {13,S} +6 C u0 p0 c0 {1,S} {22,S} {23,S} {24,S} +7 C u0 p0 c0 {2,S} {25,S} {26,S} {27,S} +8 C u0 p0 c0 {2,S} {18,S} {28,S} {29,S} +9 C u0 p0 c0 {5,S} {19,S} {20,S} {21,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 L u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 R u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {7,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {8,S} + +RC10(2) +1 C u0 p0 c0 {4,S} {5,S} {8,S} {12,S} +2 C u0 p0 c0 {4,S} {6,S} {7,S} {11,S} +3 C u0 p0 c0 {5,S} {9,S} {10,S} {13,S} +4 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} +5 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} +6 C u0 p0 c0 {2,S} {19,S} {20,S} {21,S} +7 C u0 p0 c0 {2,S} {22,S} {23,S} {24,S} +8 C u0 p0 c0 {1,S} {25,S} {26,S} {27,S} +9 C u0 p0 c0 {3,S} {28,S} {29,S} {30,S} +10 C u0 p0 c0 {3,S} {18,S} {31,S} {32,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 R u0 p0 c0 {10,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {9,S} +31 H u0 p0 c0 {10,S} +32 H u0 p0 c0 {10,S} + +LC10(3) +1 C u0 p0 c0 {4,S} {5,S} {8,S} {12,S} +2 C u0 p0 c0 {4,S} {6,S} {7,S} {11,S} +3 C u0 p0 c0 {5,S} {9,S} {10,S} {13,S} +4 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} +5 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} +6 C u0 p0 c0 {2,S} {19,S} {20,S} {21,S} +7 C u0 p0 c0 {2,S} {22,S} {23,S} {24,S} +8 C u0 p0 c0 {1,S} {25,S} {26,S} {27,S} +9 C u0 p0 c0 {3,S} {28,S} {29,S} {30,S} +10 C u0 p0 c0 {3,S} {18,S} {31,S} {32,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 L u0 p0 c0 {10,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {9,S} +31 H u0 p0 c0 {10,S} +32 H u0 p0 c0 {10,S} + +[CH2]C(C)CR(6) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u1 p0 c0 {1,S} {12,S} {13,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 R u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} + +C[CH]CR(10) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +3 C u1 p0 c0 {1,S} {2,S} {10,S} +4 H u0 p0 c0 {1,S} +5 R u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} + +C[CH]CC(C)CR(5) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +2 C u0 p0 c0 {1,S} {6,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} +5 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} +6 C u1 p0 c0 {2,S} {5,S} {19,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 R u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} + +[CH2]C(C)L(4) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u1 p0 c0 {1,S} {9,S} {10,S} +4 L u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} + +C7H14R(9) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} +2 C u0 p0 c0 {3,S} {6,S} {7,S} {9,S} +3 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +6 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} +7 C u1 p0 c0 {2,S} {21,S} {22,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 R u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} + +C[CH]CC(C)L(7) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} +5 C u1 p0 c0 {2,S} {4,S} {16,S} +6 L u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} + +C[CH]L(8) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u1 p0 c0 {1,S} {6,S} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 L u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C6H12L(11) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} +3 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} +4 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +5 C u0 p0 c0 {3,S} {12,S} {13,S} {14,S} +6 C u1 p0 c0 {1,S} {18,S} {19,S} +7 H u0 p0 c0 {1,S} +8 L u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} + +C3H5R(12) +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 R u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} + +CC(C)L(13) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 L u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} + +[CH2]R(14) +multiplicity 2 +1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 H u0 p0 c0 {1,S} +3 R u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +C8H16L(15) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {9,S} +2 C u0 p0 c0 {1,S} {3,S} {12,S} {13,S} +3 C u0 p0 c0 {2,S} {6,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {8,S} {14,S} {15,S} +5 C u0 p0 c0 {1,S} {19,S} {20,S} {21,S} +6 C u0 p0 c0 {3,S} {16,S} {17,S} {18,S} +7 C u0 p0 c0 {8,S} {22,S} {23,S} {24,S} +8 C u1 p0 c0 {4,S} {7,S} {25,S} +9 H u0 p0 c0 {1,S} +10 L u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} + +CCCC(C)L(16) +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {6,S} {7,S} +3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +5 C u0 p0 c0 {3,S} {15,S} {16,S} {17,S} +6 L u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} + +C6H11R(17) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} +5 C u0 p0 c0 {2,S} {6,D} {16,S} +6 C u0 p0 c0 {5,D} {17,S} {18,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 R u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} + +C3H6(18) +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} + +C2H3L(19) +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 L u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} + +CC(C)CR(20) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 R u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} + +C8H15L(21) +1 C u0 p0 c0 {2,S} {4,S} {5,S} {9,S} +2 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} +3 C u0 p0 c0 {2,S} {6,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} +5 C u0 p0 c0 {1,S} {16,S} {17,S} {18,S} +6 C u0 p0 c0 {3,S} {19,S} {20,S} {21,S} +7 C u0 p0 c0 {4,S} {8,D} {22,S} +8 C u0 p0 c0 {7,D} {23,S} {24,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 L u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 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{10,S} {14,S} {15,S} +7 C u0 p0 c0 {5,S} {11,S} {20,S} {21,S} +8 C u0 p0 c0 {1,S} {27,S} {28,S} {29,S} +9 C u0 p0 c0 {2,S} {33,S} {34,S} {35,S} +10 C u0 p0 c0 {6,S} {24,S} {25,S} {26,S} +11 C u0 p0 c0 {7,S} {30,S} {31,S} {32,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 L u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 L u0 p0 c0 {7,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {5,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {8,S} +30 H u0 p0 c0 {11,S} +31 H u0 p0 c0 {11,S} +32 H u0 p0 c0 {11,S} +33 H u0 p0 c0 {9,S} +34 H u0 p0 c0 {9,S} +35 H u0 p0 c0 {9,S} + +CC(L)C(C)L(51) +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +5 L u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 L u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} + +CC(CR)C(C)CR(52) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +2 C u0 p0 c0 {1,S} {5,S} {6,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 C u0 p0 c0 {2,S} {15,S} {16,S} {17,S} +6 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 R u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 R u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} + +C10H20L2(53) +1 C u0 p0 c0 {3,S} {4,S} {7,S} {11,S} +2 C u0 p0 c0 {3,S} {5,S} {8,S} {12,S} +3 C u0 p0 c0 {1,S} {2,S} {17,S} {18,S} +4 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} +5 C u0 p0 c0 {2,S} {10,S} {19,S} {20,S} +6 C u0 p0 c0 {4,S} {9,S} {13,S} {14,S} +7 C u0 p0 c0 {1,S} {24,S} {25,S} {26,S} +8 C u0 p0 c0 {2,S} {27,S} {28,S} {29,S} +9 C u0 p0 c0 {6,S} {21,S} {22,S} {23,S} +10 C u0 p0 c0 {5,S} {30,S} {31,S} {32,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 L u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 L u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {8,S} +30 H u0 p0 c0 {10,S} +31 H u0 p0 c0 {10,S} +32 H u0 p0 c0 {10,S} + +C11H22LR(54) +1 C u0 p0 c0 {3,S} {4,S} {8,S} {13,S} +2 C u0 p0 c0 {4,S} {5,S} {7,S} {12,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {14,S} +4 C u0 p0 c0 {1,S} {2,S} {19,S} {20,S} +5 C u0 p0 c0 {2,S} {6,S} {17,S} {18,S} +6 C u0 p0 c0 {5,S} {11,S} {15,S} {16,S} +7 C u0 p0 c0 {2,S} {24,S} {25,S} {26,S} +8 C u0 p0 c0 {1,S} {27,S} {28,S} {29,S} +9 C u0 p0 c0 {3,S} {30,S} {31,S} {32,S} +10 C u0 p0 c0 {3,S} {33,S} {34,S} {35,S} +11 C u0 p0 c0 {6,S} {21,S} {22,S} {23,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {3,S} +15 L u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {11,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {8,S} +30 H u0 p0 c0 {9,S} +31 R u0 p0 c0 {9,S} +32 H u0 p0 c0 {9,S} +33 H u0 p0 c0 {10,S} +34 H u0 p0 c0 {10,S} +35 H u0 p0 c0 {10,S} + +RCCR(55) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 H u0 p0 c0 {1,S} +4 R u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 R u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C6H11R(56) +1 C u0 p0 c0 {2,S} {3,S} {5,S} {7,S} +2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +4 C u0 p0 c0 {6,S} {14,S} {15,S} {16,S} +5 C u0 p0 c0 {1,S} {6,D} {18,S} +6 C u0 p0 c0 {4,S} {5,D} {17,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 R u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {5,S} + +C5H9L(57) +1 C u0 p0 c0 {2,S} {4,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {5,S} {11,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {5,D} {15,S} +5 C u0 p0 c0 {3,S} {4,D} {14,S} +6 L u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {4,S} + +C3H5R(58) +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 R u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} + +C3H5L(59) +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 L u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} + +C4H7R(60) +1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {2,S} {4,D} +4 C u0 p0 c0 {3,D} {11,S} {12,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 R u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} + +C8H15L(61) +1 C u0 p0 c0 {2,S} {4,S} {7,S} {9,S} +2 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} +3 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +5 C u0 p0 c0 {3,S} {17,S} {18,S} {19,S} +6 C u0 p0 c0 {8,S} {20,S} {21,S} {22,S} +7 C u0 p0 c0 {1,S} {8,D} {24,S} +8 C u0 p0 c0 {6,S} {7,D} {23,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 L u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {7,S} + +C7H13R(62) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {6,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +5 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +6 C u0 p0 c0 {2,S} {5,S} {7,D} +7 C u0 p0 c0 {6,D} {20,S} {21,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 R u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {7,S} + +C6H11L(63) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +4 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} +5 C u0 p0 c0 {2,S} {4,S} {6,D} +6 C u0 p0 c0 {5,D} {17,S} {18,S} +7 L u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} + +C10H20R(64) +multiplicity 2 +1 C u0 p0 c0 {4,S} {5,S} {6,S} {11,S} +2 C u0 p0 c0 {4,S} {7,S} {8,S} {12,S} +3 C u0 p0 c0 {5,S} {9,S} {10,S} {13,S} +4 C u0 p0 c0 {1,S} {2,S} {16,S} {17,S} +5 C u0 p0 c0 {1,S} {3,S} {14,S} {15,S} +6 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +7 C u0 p0 c0 {2,S} {24,S} {25,S} {26,S} +8 C u0 p0 c0 {2,S} {27,S} {28,S} {29,S} +9 C u0 p0 c0 {3,S} {18,S} {19,S} {20,S} +10 C u1 p0 c0 {3,S} {30,S} {31,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {8,S} +30 H u0 p0 c0 {10,S} +31 R u0 p0 c0 {10,S} + +C9H17LR(65) +multiplicity 2 +1 C u0 p0 c0 {3,S} {5,S} {6,S} {10,S} +2 C u0 p0 c0 {4,S} {7,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {9,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {9,S} {15,S} {16,S} +5 C u0 p0 c0 {1,S} {17,S} {18,S} {19,S} +6 C u0 p0 c0 {1,S} {20,S} {21,S} {22,S} +7 C u0 p0 c0 {2,S} {23,S} {24,S} {25,S} +8 C u0 p0 c0 {9,S} {26,S} {27,S} {28,S} +9 C u1 p0 c0 {3,S} {4,S} {8,S} +10 H u0 p0 c0 {1,S} +11 L u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 R u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} + +C9H17LR(66) +multiplicity 2 +1 C u0 p0 c0 {3,S} {7,S} {9,S} {11,S} +2 C u0 p0 c0 {5,S} {6,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +4 C u0 p0 c0 {3,S} {8,S} {14,S} {15,S} +5 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} +6 C u0 p0 c0 {2,S} {19,S} {20,S} {21,S} +7 C u0 p0 c0 {1,S} {22,S} {23,S} {24,S} +8 C u0 p0 c0 {4,S} {25,S} {26,S} {27,S} +9 C u1 p0 c0 {1,S} {2,S} {28,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 L u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 R u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {9,S} + +C9H17LR(67) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {6,S} {10,S} +2 C u0 p0 c0 {3,S} {7,S} {9,S} {11,S} +3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +5 C u0 p0 c0 {4,S} {8,S} {16,S} {17,S} +6 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +7 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} +8 C u0 p0 c0 {5,S} {24,S} {25,S} {26,S} +9 C u1 p0 c0 {2,S} {27,S} {28,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 L u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {9,S} +28 R u0 p0 c0 {9,S} + +C9H17LR(68) +multiplicity 2 +1 C u0 p0 c0 {3,S} {5,S} {6,S} {10,S} +2 C u0 p0 c0 {3,S} {7,S} {9,S} {11,S} +3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} +4 C u0 p0 c0 {8,S} {9,S} {14,S} {15,S} +5 C u0 p0 c0 {1,S} {16,S} {17,S} {18,S} +6 C u0 p0 c0 {1,S} {19,S} {20,S} {21,S} +7 C u0 p0 c0 {2,S} {22,S} {23,S} {24,S} +8 C u0 p0 c0 {4,S} {25,S} {26,S} {27,S} +9 C u1 p0 c0 {2,S} {4,S} {28,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 L u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 R u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {9,S} + +C9H17LR(69) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {10,S} +2 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} +3 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {9,S} {15,S} {16,S} +5 C u0 p0 c0 {1,S} {17,S} {18,S} {19,S} +6 C u0 p0 c0 {3,S} {20,S} {21,S} {22,S} +7 C u0 p0 c0 {9,S} {23,S} {24,S} {25,S} +8 C u0 p0 c0 {9,S} {26,S} {27,S} {28,S} +9 C u1 p0 c0 {4,S} {7,S} {8,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 L u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {7,S} +24 R u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} + +C9H17LR(70) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {8,S} {11,S} +2 C u0 p0 c0 {3,S} {6,S} {7,S} {10,S} +3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +5 C u0 p0 c0 {4,S} {9,S} {16,S} {17,S} +6 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} +7 C u0 p0 c0 {2,S} {21,S} {22,S} {23,S} +8 C u0 p0 c0 {1,S} {24,S} {25,S} {26,S} +9 C u1 p0 c0 {5,S} {27,S} {28,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 L u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 R u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {9,S} + +C9H17LR(71) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {6,S} {10,S} +2 C u0 p0 c0 {3,S} {7,S} {9,S} {11,S} +3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +5 C u0 p0 c0 {4,S} {8,S} {16,S} {17,S} +6 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +7 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} +8 C u0 p0 c0 {5,S} {24,S} {25,S} {26,S} +9 C u1 p0 c0 {2,S} {27,S} {28,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 L u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {7,S} +19 R u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {9,S} + +C9H17LR(72) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {7,S} {11,S} +2 C u0 p0 c0 {3,S} {5,S} {6,S} {10,S} +3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {9,S} {14,S} {15,S} +5 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} +6 C u0 p0 c0 {2,S} {19,S} {20,S} {21,S} +7 C u0 p0 c0 {1,S} {22,S} {23,S} {24,S} +8 C u0 p0 c0 {9,S} {25,S} {26,S} {27,S} +9 C u1 p0 c0 {4,S} {8,S} {28,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 R u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 L u0 p0 c0 {9,S} + +C9H17LR(73) +multiplicity 2 +1 C u0 p0 c0 {3,S} {6,S} {7,S} {10,S} +2 C u0 p0 c0 {3,S} {4,S} {9,S} {11,S} +3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {5,S} {14,S} {15,S} +5 C u0 p0 c0 {4,S} {8,S} {16,S} {17,S} +6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +7 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +8 C u0 p0 c0 {5,S} {24,S} {25,S} {26,S} +9 C u1 p0 c0 {2,S} {27,S} {28,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 L u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 R u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {9,S} + +CH3(74) +multiplicity 2 +1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +C(75) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} + +C10H20L(76) +multiplicity 2 +1 C u0 p0 c0 {4,S} {5,S} {6,S} {11,S} +2 C u0 p0 c0 {4,S} {7,S} {8,S} {12,S} +3 C u0 p0 c0 {5,S} {9,S} {10,S} {13,S} +4 C u0 p0 c0 {1,S} {2,S} {16,S} {17,S} +5 C u0 p0 c0 {1,S} {3,S} {14,S} {15,S} +6 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +7 C u0 p0 c0 {2,S} {24,S} {25,S} {26,S} +8 C u0 p0 c0 {2,S} {27,S} {28,S} {29,S} +9 C u0 p0 c0 {3,S} {18,S} {19,S} {20,S} +10 C u1 p0 c0 {3,S} {30,S} {31,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {8,S} +30 H u0 p0 c0 {10,S} +31 L u0 p0 c0 {10,S} + +C5H8L(77) +multiplicity 2 +1 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} +2 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} +3 C u1 p0 c0 {1,S} {5,S} {12,S} +4 C u0 p0 c0 {2,S} {5,D} {13,S} +5 C u0 p0 c0 {3,S} {4,D} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 L u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} + +C3H4R(78) +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 C u1 p0 c0 {1,S} {7,S} {8,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 R u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} + +C4H6R(79) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 C u1 p0 c0 {2,S} {10,S} {11,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 R u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} + +C[C]1CC1R(80) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} +4 C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 R u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} + +C4H7R(81) +1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {2,S} {4,D} +4 C u0 p0 c0 {3,D} {11,S} {12,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 R u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} + +H(82) +multiplicity 2 +1 H u1 p0 c0 + +[H][H](83) +1 H u0 p0 c0 {2,S} +2 H u0 p0 c0 {1,S} + +C5H9L(84) +1 C u0 p0 c0 {2,S} {4,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {5,S} {11,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {5,D} {15,S} +5 C u0 p0 c0 {3,S} {4,D} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 L u0 p0 c0 {5,S} +15 H u0 p0 c0 {4,S} + +C7H15(85) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} +2 C u0 p0 c0 {3,S} {6,S} {7,S} {9,S} +3 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +6 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} +7 C u1 p0 c0 {2,S} {21,S} {22,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} + +C3H5L(86) +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 L u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} + +CC(C)CC(C)C(87) +1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} +2 C u0 p0 c0 {3,S} {6,S} {7,S} {9,S} +3 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +6 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} +7 C u0 p0 c0 {2,S} {21,S} {22,S} {23,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} + +RC1[CH]C1(88) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {3,S} {6,S} {7,S} +3 C u1 p0 c0 {1,S} {2,S} {8,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 R u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} + +C5H8L(89) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +3 C u1 p0 c0 {1,S} {4,S} {11,S} +4 C u0 p0 c0 {3,S} {5,D} {12,S} +5 C u0 p0 c0 {4,D} {13,S} {14,S} +6 L u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} + +C6H10R(90) +multiplicity 2 +1 C u0 p0 c0 {4,S} {7,S} {8,S} {9,S} +2 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} +4 C u1 p0 c0 {1,S} {2,S} {6,S} +5 C u0 p0 c0 {3,S} {6,D} {16,S} +6 C u0 p0 c0 {4,S} {5,D} {17,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 R u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} + +C4H5L(91) +1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 C u0 p0 c0 {2,D} {9,S} {10,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 L u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} + +C6H9L2(92) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +4 C u1 p0 c0 {2,S} {5,S} {14,S} +5 C u0 p0 c0 {4,S} {6,D} {15,S} +6 C u0 p0 c0 {5,D} {16,S} {17,S} +7 L u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 L u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} + +C[CH]CC(93) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +4 C u1 p0 c0 {1,S} {3,S} {13,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} + +C[CH]C(94) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +3 C u1 p0 c0 {1,S} {2,S} {10,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} + +CCC(95) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} + +C5H8L(96) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +3 C u1 p0 c0 {1,S} {4,S} {11,S} +4 C u0 p0 c0 {3,S} {5,D} {12,S} +5 C u0 p0 c0 {4,D} {13,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 L u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} + +C7H11LR(97) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +5 C u1 p0 c0 {2,S} {6,S} {17,S} +6 C u0 p0 c0 {5,S} {7,D} {18,S} +7 C u0 p0 c0 {6,D} {19,S} {20,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 R u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 L u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} + +C6H11R(98) +1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {5,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {5,S} {15,S} {16,S} {17,S} +5 C u0 p0 c0 {3,S} {4,S} {6,D} +6 C u0 p0 c0 {1,S} {5,D} {18,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 R u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} + +C6H9LR(99) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} +4 C u1 p0 c0 {1,S} {3,S} {14,S} +5 C u0 p0 c0 {2,S} {6,D} {15,S} +6 C u0 p0 c0 {5,D} {16,S} {17,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 L u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 R u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} + +C7H9LR(100) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} +3 C u1 p0 c0 {2,S} {5,S} {13,S} +4 C u0 p0 c0 {1,S} {6,D} {12,S} +5 C u0 p0 c0 {3,S} {7,D} {14,S} +6 C u0 p0 c0 {4,D} {15,S} {16,S} +7 C u0 p0 c0 {5,D} {17,S} {18,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 R u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} +17 L u0 p0 c0 {7,S} +18 H u0 p0 c0 {7,S} + +CC(L)C[CH]L(101) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u1 p0 c0 {2,S} {12,S} {13,S} +5 L u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 L u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} + +C3H5(102) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,D} {4,S} +2 C u1 p0 c0 {1,S} {7,S} {8,S} +3 C u0 p0 c0 {1,D} {5,S} {6,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C6H10L(103) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {3,S} {5,S} {6,D} +5 C u1 p0 c0 {1,S} {4,S} {15,S} +6 C u0 p0 c0 {4,D} {16,S} {17,S} +7 L u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} + +C5H7L(104) +1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {3,S} {4,D} +3 C u0 p0 c0 {2,S} {5,D} {9,S} +4 C u0 p0 c0 {2,D} {10,S} {11,S} +5 C u0 p0 c0 {3,D} {12,S} {13,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 L u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} + +C6H9R(105) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {2,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {13,S} {14,S} +6 C u0 p0 c0 {4,D} {15,S} {16,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 R u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} + +C7H11L2(106) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {5,S} {15,S} {16,S} {17,S} +5 C u1 p0 c0 {2,S} {4,S} {6,S} +6 C u0 p0 c0 {5,S} {7,D} {18,S} +7 C u0 p0 c0 {6,D} {19,S} {20,S} +8 L u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} +19 L u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} + +C6H11L(107) +1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {5,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {5,S} {15,S} {16,S} {17,S} +5 C u0 p0 c0 {3,S} {4,S} {6,D} +6 C u0 p0 c0 {1,S} {5,D} {18,S} +7 L u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} + +C7H12R(108) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} +2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {5,S} {15,S} {16,S} {17,S} +5 C u0 p0 c0 {4,S} {6,S} {7,D} +6 C u1 p0 c0 {1,S} {5,S} {18,S} +7 C u0 p0 c0 {5,D} {19,S} {20,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 R u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} + +C7H12R(109) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {8,S} +2 C u0 p0 c0 {1,S} {3,S} {7,S} {9,S} +3 C u0 p0 c0 {2,S} {7,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +6 C u0 p0 c0 {7,S} {18,S} {19,S} {20,S} +7 C u1 p0 c0 {2,S} {3,S} {6,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 R u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} + +C6H10(110) +1 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +2 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {5,S} {6,D} +4 C u0 p0 c0 {2,S} {5,D} {13,S} +5 C u0 p0 c0 {3,S} {4,D} {14,S} +6 C u0 p0 c0 {3,D} {15,S} {16,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} + +C6H9R(111) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {2,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {13,S} {14,S} +6 C u0 p0 c0 {4,D} {15,S} {16,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 R u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} + +C8H14L(112) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {6,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} +4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {7,S} {19,S} {20,S} {21,S} +6 C u1 p0 c0 {2,S} {4,S} {8,S} +7 C u0 p0 c0 {5,S} {8,D} {22,S} +8 C u0 p0 c0 {6,S} {7,D} {23,S} +9 L u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} + +C6H9(113) +multiplicity 2 +1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {3,D} {5,S} +3 C u0 p0 c0 {2,D} {4,S} {10,S} +4 C u0 p0 c0 {3,S} {6,D} {11,S} +5 C u1 p0 c0 {2,S} {12,S} {13,S} +6 C u0 p0 c0 {4,D} {14,S} {15,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} + +C6H9(114) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {3,S} {6,D} +5 C u1 p0 c0 {2,S} {6,S} {14,S} +6 C u0 p0 c0 {4,D} {5,S} {15,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} + +C12H18(115) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {10,S} {13,S} +3 C u0 p0 c0 {1,S} {6,S} {16,S} {17,S} +4 C u0 p0 c0 {2,S} {5,S} {14,S} {15,S} +5 C u0 p0 c0 {4,S} {9,S} {18,S} {19,S} +6 C u0 p0 c0 {3,S} {12,S} {20,S} {21,S} +7 C u0 p0 c0 {1,S} {22,S} {23,S} {24,S} +8 C u0 p0 c0 {9,S} {25,S} {26,S} {27,S} +9 C u0 p0 c0 {5,S} {8,S} {10,D} +10 C u0 p0 c0 {2,S} {9,D} {28,S} +11 C u0 p0 c0 {1,S} {12,D} {30,S} +12 C u0 p0 c0 {6,S} {11,D} {29,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {10,S} +29 H u0 p0 c0 {12,S} +30 H u0 p0 c0 {11,S} + +C6H10(116) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {6,S} {11,S} {12,S} +4 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} +5 C u0 p0 c0 {2,S} {4,S} {6,D} +6 C u0 p0 c0 {3,S} {5,D} {16,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {6,S} + +C12H18(117) +1 C u0 p0 c0 {2,S} {3,S} {11,S} {13,S} +2 C u0 p0 c0 {1,S} {4,S} {12,S} {14,S} +3 C u0 p0 c0 {1,S} {5,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {6,S} {17,S} {18,S} +5 C u0 p0 c0 {3,S} {9,S} {19,S} {20,S} +6 C u0 p0 c0 {4,S} {10,S} {21,S} {22,S} +7 C u0 p0 c0 {9,S} {23,S} {24,S} {25,S} +8 C u0 p0 c0 {10,S} {26,S} {27,S} {28,S} +9 C u0 p0 c0 {5,S} {7,S} {11,D} +10 C u0 p0 c0 {6,S} {8,S} {12,D} +11 C u0 p0 c0 {1,S} {9,D} {29,S} +12 C u0 p0 c0 {2,S} {10,D} {30,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {11,S} +30 H u0 p0 c0 {12,S} + +C6H8(118) +1 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {2,S} {5,D} +4 C u0 p0 c0 {1,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {6,S} {13,S} +6 C u0 p0 c0 {4,D} {5,S} {14,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} + +C10H14L(119) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +3 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} +4 C u0 p0 c0 {1,S} {3,S} {6,D} +5 C u1 p0 c0 {2,S} {7,S} {18,S} +6 C u0 p0 c0 {4,D} {8,S} {19,S} +7 C u0 p0 c0 {5,S} {10,D} {21,S} +8 C u0 p0 c0 {6,S} {9,D} {20,S} +9 C u0 p0 c0 {8,D} {22,S} {23,S} +10 C u0 p0 c0 {7,D} {24,S} {25,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {9,S} +24 L u0 p0 c0 {10,S} +25 H u0 p0 c0 {10,S} + +C7H13R(120) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} +5 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +6 C u0 p0 c0 {4,S} {5,S} {7,D} +7 C u0 p0 c0 {1,S} {6,D} {21,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 R u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {7,S} + +C10H14L(121) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +3 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} +4 C u0 p0 c0 {3,S} {7,S} {9,D} +5 C u0 p0 c0 {1,S} {7,D} {18,S} +6 C u1 p0 c0 {2,S} {8,S} {19,S} +7 C u0 p0 c0 {4,S} {5,D} {20,S} +8 C u0 p0 c0 {6,S} {10,D} {21,S} +9 C u0 p0 c0 {4,D} {22,S} {23,S} +10 C u0 p0 c0 {8,D} {24,S} {25,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {9,S} +24 L u0 p0 c0 {10,S} +25 H u0 p0 c0 {10,S} + +C9H14L(122) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {1,S} {3,S} {7,D} +6 C u1 p0 c0 {2,S} {4,S} {20,S} +7 C u0 p0 c0 {5,D} {8,S} {21,S} +8 C u0 p0 c0 {7,S} {9,D} {22,S} +9 C u0 p0 c0 {8,D} {23,S} {24,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 L u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} + +C6H7(123) +multiplicity 2 +1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} +2 C u1 p0 c0 {1,S} {3,S} {4,S} +3 C u0 p0 c0 {2,S} {5,D} {12,S} +4 C u0 p0 c0 {2,S} {6,D} {13,S} +5 C u0 p0 c0 {3,D} {6,S} {10,S} +6 C u0 p0 c0 {4,D} {5,S} {11,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} + +C5H9LR(124) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 C u1 p0 c0 {2,S} {15,S} {16,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 R u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 L u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} + +C6H8(125) +1 C u0 p0 c0 {4,S} {5,S} {7,S} {8,S} +2 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {2,S} {4,D} {6,S} +4 C u0 p0 c0 {1,S} {3,D} {13,S} +5 C u0 p0 c0 {1,S} {6,D} {12,S} +6 C u0 p0 c0 {3,S} {5,D} {14,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} + +C7H11(126) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {8,S} +2 C u0 p0 c0 {1,S} {6,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +4 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} +5 C u0 p0 c0 {1,S} {4,S} {7,D} +6 C u1 p0 c0 {2,S} {7,S} {17,S} +7 C u0 p0 c0 {5,D} {6,S} {18,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} + +C7H11(127) +multiplicity 2 +1 C u0 p0 c0 {3,S} {11,S} {12,S} {13,S} +2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {4,D} {5,S} +4 C u0 p0 c0 {2,S} {3,D} {14,S} +5 C u0 p0 c0 {3,S} {6,D} {16,S} +6 C u0 p0 c0 {5,D} {7,S} {15,S} +7 C u1 p0 c0 {6,S} {17,S} {18,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {7,S} + +C8H13LR(128) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {9,S} +2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +5 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +6 C u1 p0 c0 {2,S} {5,S} {7,S} +7 C u0 p0 c0 {6,S} {8,D} {21,S} +8 C u0 p0 c0 {7,D} {22,S} {23,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 R u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {7,S} +22 L u0 p0 c0 {8,S} +23 H u0 p0 c0 {8,S} + +C8H11LR(129) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} +4 C u1 p0 c0 {1,S} {3,S} {6,S} +5 C u0 p0 c0 {2,S} {7,D} {16,S} +6 C u0 p0 c0 {4,S} {8,D} {17,S} +7 C u0 p0 c0 {5,D} {18,S} {19,S} +8 C u0 p0 c0 {6,D} {20,S} {21,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 R u0 p0 c0 {7,S} +19 H u0 p0 c0 {7,S} +20 L u0 p0 c0 {8,S} +21 H u0 p0 c0 {8,S} + +C7H10L(130) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} +3 C u1 p0 c0 {2,S} {5,S} {13,S} +4 C u0 p0 c0 {1,S} {6,D} {12,S} +5 C u0 p0 c0 {3,S} {7,D} {14,S} +6 C u0 p0 c0 {4,D} {15,S} {16,S} +7 C u0 p0 c0 {5,D} {17,S} {18,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} +17 L u0 p0 c0 {7,S} +18 H u0 p0 c0 {7,S} + +C6H10L(131) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} +4 C u1 p0 c0 {1,S} {3,S} {5,S} +5 C u0 p0 c0 {4,S} {6,D} {15,S} +6 C u0 p0 c0 {5,D} {16,S} {17,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 L u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} + +C9H14L(132) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {7,S} {10,S} {11,S} +3 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {3,S} {8,S} {9,D} +6 C u1 p0 c0 {1,S} {4,S} {20,S} +7 C u0 p0 c0 {2,S} {8,D} {21,S} +8 C u0 p0 c0 {5,S} {7,D} {22,S} +9 C u0 p0 c0 {5,D} {23,S} {24,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 L u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} + +C6H8R2(133) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {2,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {13,S} {14,S} +6 C u0 p0 c0 {4,D} {15,S} {16,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 R u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 R u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} + +C8H11LR(134) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} +3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {3,S} {7,D} +5 C u1 p0 c0 {2,S} {6,S} {16,S} +6 C u0 p0 c0 {5,S} {8,D} {17,S} +7 C u0 p0 c0 {4,D} {18,S} {19,S} +8 C u0 p0 c0 {6,D} {20,S} {21,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 R u0 p0 c0 {7,S} +19 H u0 p0 c0 {7,S} +20 L u0 p0 c0 {8,S} +21 H u0 p0 c0 {8,S} + +C11H16L(135) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} +4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} +5 C u0 p0 c0 {1,S} {3,S} {7,D} +6 C u1 p0 c0 {2,S} {4,S} {8,S} +7 C u0 p0 c0 {5,D} {9,S} {22,S} +8 C u0 p0 c0 {6,S} {11,D} {24,S} +9 C u0 p0 c0 {7,S} {10,D} {23,S} +10 C u0 p0 c0 {9,D} {25,S} {26,S} +11 C u0 p0 c0 {8,D} {27,S} {28,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {10,S} +27 L u0 p0 c0 {11,S} +28 H u0 p0 c0 {11,S} + +C11H16L(136) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {14,S} {15,S} +2 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} +3 C u0 p0 c0 {5,S} {19,S} {20,S} {21,S} +4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} +5 C u1 p0 c0 {1,S} {3,S} {9,S} +6 C u0 p0 c0 {4,S} {8,S} {10,D} +7 C u0 p0 c0 {2,S} {8,D} {22,S} +8 C u0 p0 c0 {6,S} {7,D} {23,S} +9 C u0 p0 c0 {5,S} {11,D} {24,S} +10 C u0 p0 c0 {6,D} {25,S} {26,S} +11 C u0 p0 c0 {9,D} {27,S} {28,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {3,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {10,S} +27 L u0 p0 c0 {11,S} +28 H u0 p0 c0 {11,S} + +C10H16R(137) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} +3 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +4 C u0 p0 c0 {6,S} {21,S} {22,S} {23,S} +5 C u0 p0 c0 {7,S} {15,S} {16,S} {17,S} +6 C u1 p0 c0 {1,S} {3,S} {4,S} +7 C u0 p0 c0 {2,S} {5,S} {8,D} +8 C u0 p0 c0 {7,D} {9,S} {24,S} +9 C u0 p0 c0 {8,S} {10,D} {25,S} +10 C u0 p0 c0 {9,D} {26,S} {27,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 R u0 p0 c0 {4,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {4,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {10,S} + +C5H9LR(138) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} +5 C u1 p0 c0 {2,S} {4,S} {16,S} +6 L u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 R u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} + +C6H10L(139) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} +4 C u1 p0 c0 {1,S} {3,S} {14,S} +5 C u0 p0 c0 {2,S} {6,D} {15,S} +6 C u0 p0 c0 {5,D} {16,S} {17,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 L u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} + +C10H16R(140) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {8,S} {11,S} {12,S} +3 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +4 C u0 p0 c0 {6,S} {21,S} {22,S} {23,S} +5 C u0 p0 c0 {7,S} {15,S} {16,S} {17,S} +6 C u1 p0 c0 {1,S} {3,S} {4,S} +7 C u0 p0 c0 {5,S} {9,S} {10,D} +8 C u0 p0 c0 {2,S} {9,D} {24,S} +9 C u0 p0 c0 {7,S} {8,D} {25,S} +10 C u0 p0 c0 {7,D} {26,S} {27,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 R u0 p0 c0 {4,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {4,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {10,S} + +C8H12L(141) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} +4 C u1 p0 c0 {1,S} {3,S} {6,S} +5 C u0 p0 c0 {2,S} {7,D} {16,S} +6 C u0 p0 c0 {4,S} {8,D} {17,S} +7 C u0 p0 c0 {5,D} {18,S} {19,S} +8 C u0 p0 c0 {6,D} {20,S} {21,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {7,S} +20 L u0 p0 c0 {8,S} +21 H u0 p0 c0 {8,S} + +C9H13LR(142) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {6,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} +5 C u1 p0 c0 {2,S} {4,S} {7,S} +6 C u0 p0 c0 {1,S} {3,S} {8,D} +7 C u0 p0 c0 {5,S} {9,D} {20,S} +8 C u0 p0 c0 {6,D} {21,S} {22,S} +9 C u0 p0 c0 {7,D} {23,S} {24,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {7,S} +21 R u0 p0 c0 {8,S} +22 H u0 p0 c0 {8,S} +23 L u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} + +C7H11LR(143) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} +3 C u0 p0 c0 {5,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} +5 C u0 p0 c0 {1,S} {3,S} {7,D} +6 C u1 p0 c0 {2,S} {4,S} {18,S} +7 C u0 p0 c0 {5,D} {19,S} {20,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 L u0 p0 c0 {6,S} +19 R u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} + +C6H9LR(144) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {6,S} {8,S} +3 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +5 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} +6 C u1 p0 c0 {2,S} {16,S} {17,S} +7 L u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 R u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} + +C6H9L2(145) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +4 C u1 p0 c0 {2,S} {5,S} {14,S} +5 C u0 p0 c0 {4,S} {6,D} {15,S} +6 C u0 p0 c0 {5,D} {16,S} {17,S} +7 L u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 L u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} + +C7H11R2(146) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {8,S} {9,S} +3 C u0 p0 c0 {5,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {5,S} {15,S} {16,S} {17,S} +5 C u1 p0 c0 {1,S} {3,S} {4,S} +6 C u0 p0 c0 {2,S} {7,D} {18,S} +7 C u0 p0 c0 {6,D} {19,S} {20,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 R u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} +19 R u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} + +C3H4L(147) +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 C u1 p0 c0 {1,S} {7,S} {8,S} +4 L u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} + +C7H9LR(148) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} +5 C u1 p0 c0 {3,S} {4,S} {15,S} +6 C u0 p0 c0 {1,S} {7,D} {16,S} +7 C u0 p0 c0 {6,D} {17,S} {18,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 R u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 L u0 p0 c0 {7,S} +18 H u0 p0 c0 {7,S} + +L[C]1CC1(149) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {3,S} {6,S} {7,S} +3 C u1 p0 c0 {1,S} {2,S} {8,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 L u0 p0 c0 {3,S} + +C7H9LR(150) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {6,S} {8,S} +2 C u0 p0 c0 {3,S} {5,S} {7,S} {9,S} +3 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +5 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +6 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} +7 C u1 p0 c0 {2,S} {6,S} {18,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 R u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 L u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} + +C7H9LR(151) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} +5 C u0 p0 c0 {4,S} {6,D} {15,S} +6 C u0 p0 c0 {3,S} {5,D} {16,S} +7 C u1 p0 c0 {1,S} {17,S} {18,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 L u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 R u0 p0 c0 {7,S} +18 H u0 p0 c0 {7,S} + +C7H9L2(152) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} +3 C u1 p0 c0 {2,S} {5,S} {13,S} +4 C u0 p0 c0 {1,S} {6,D} {12,S} +5 C u0 p0 c0 {3,S} {7,D} {14,S} +6 C u0 p0 c0 {4,D} {15,S} {16,S} +7 C u0 p0 c0 {5,D} {17,S} {18,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 L u0 p0 c0 {4,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} +17 L u0 p0 c0 {7,S} +18 H u0 p0 c0 {7,S} + +C7H12R(153) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {8,S} {9,S} +3 C u0 p0 c0 {5,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {5,S} {15,S} {16,S} {17,S} +5 C u1 p0 c0 {1,S} {3,S} {4,S} +6 C u0 p0 c0 {2,S} {7,D} {18,S} +7 C u0 p0 c0 {6,D} {19,S} {20,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 R u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} + +C7H9LR(154) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} +2 C u0 p0 c0 {3,S} {4,S} {7,S} {9,S} +3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} +5 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} +6 C u0 p0 c0 {5,S} {7,S} {16,S} {17,S} +7 C u1 p0 c0 {2,S} {6,S} {18,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {5,S} +12 L u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 R u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} + +CC[C](C)L(155) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +4 C u1 p0 c0 {1,S} {3,S} {13,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 L u0 p0 c0 {4,S} + +C4H7(156) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {3,S} {4,D} +3 C u1 p0 c0 {2,S} {10,S} {11,S} +4 C u0 p0 c0 {2,D} {8,S} {9,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} + +C4H8(157) +1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {2,S} {4,D} +4 C u0 p0 c0 {3,D} {11,S} {12,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} + +C[C]1CC1(158) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} +4 C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} + +C9H15(159) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} +3 C u0 p0 c0 {2,S} {7,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {8,S} {15,S} {16,S} +5 C u0 p0 c0 {7,S} {17,S} {18,S} {19,S} +6 C u0 p0 c0 {8,S} {20,S} {21,S} {22,S} +7 C u0 p0 c0 {3,S} {5,S} {9,D} +8 C u1 p0 c0 {4,S} {6,S} {23,S} +9 C u0 p0 c0 {1,S} {7,D} {24,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} + +C6H9(160) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} +4 C u0 p0 c0 {3,S} {5,S} {6,D} +5 C u1 p0 c0 {2,S} {4,S} {15,S} +6 C u0 p0 c0 {1,S} {4,D} {14,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {5,S} + +C6H9(161) +multiplicity 2 +1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 C u0 p0 c0 {2,D} {5,S} {10,S} +4 C u0 p0 c0 {2,S} {6,D} {11,S} +5 C u1 p0 c0 {3,S} {12,S} {13,S} +6 C u0 p0 c0 {4,D} {14,S} {15,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} + +C8H11L2(162) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} +4 C u1 p0 c0 {1,S} {3,S} {6,S} +5 C u0 p0 c0 {2,S} {7,D} {16,S} +6 C u0 p0 c0 {4,S} {8,D} {17,S} +7 C u0 p0 c0 {5,D} {18,S} {19,S} +8 C u0 p0 c0 {6,D} {20,S} {21,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 L u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {7,S} +20 L u0 p0 c0 {8,S} +21 H u0 p0 c0 {8,S} + +C6H10(163) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {2,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {13,S} {14,S} +6 C u0 p0 c0 {4,D} {15,S} {16,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} + +C8H12L(164) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} +3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {3,S} {7,D} +5 C u1 p0 c0 {2,S} {6,S} {16,S} +6 C u0 p0 c0 {5,S} {8,D} {17,S} +7 C u0 p0 c0 {4,D} {18,S} {19,S} +8 C u0 p0 c0 {6,D} {20,S} {21,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {7,S} +20 L u0 p0 c0 {8,S} +21 H u0 p0 c0 {8,S} + +C6H8R2(165) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {2,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {13,S} {14,S} +6 C u0 p0 c0 {4,D} {15,S} {16,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 R u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 R u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} + +C9H14L(166) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {7,S} {10,S} {11,S} +3 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {3,S} {7,D} {8,S} +6 C u1 p0 c0 {1,S} {4,S} {20,S} +7 C u0 p0 c0 {2,S} {5,D} {21,S} +8 C u0 p0 c0 {5,S} {9,D} {22,S} +9 C u0 p0 c0 {8,D} {23,S} {24,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 L u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} + +C10H14L(167) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +3 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} +4 C u0 p0 c0 {3,S} {5,D} {7,S} +5 C u0 p0 c0 {1,S} {4,D} {18,S} +6 C u1 p0 c0 {2,S} {8,S} {19,S} +7 C u0 p0 c0 {4,S} {9,D} {20,S} +8 C u0 p0 c0 {6,S} {10,D} {21,S} +9 C u0 p0 c0 {7,D} {22,S} {23,S} +10 C u0 p0 c0 {8,D} {24,S} {25,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {9,S} +24 L u0 p0 c0 {10,S} +25 H u0 p0 c0 {10,S} + +C11H16L(168) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {14,S} {15,S} +2 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} +3 C u0 p0 c0 {5,S} {19,S} {20,S} {21,S} +4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} +5 C u1 p0 c0 {1,S} {3,S} {8,S} +6 C u0 p0 c0 {4,S} {7,D} {9,S} +7 C u0 p0 c0 {2,S} {6,D} {22,S} +8 C u0 p0 c0 {5,S} {11,D} {24,S} +9 C u0 p0 c0 {6,S} {10,D} {23,S} +10 C u0 p0 c0 {9,D} {25,S} {26,S} +11 C u0 p0 c0 {8,D} {27,S} {28,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {3,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {10,S} +27 L u0 p0 c0 {11,S} +28 H u0 p0 c0 {11,S} + +C6H10L(169) +multiplicity 2 +1 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {7,S} {8,S} {9,S} +4 C u0 p0 c0 {1,S} {2,S} {6,D} +5 C u1 p0 c0 {3,S} {6,S} {16,S} +6 C u0 p0 c0 {4,D} {5,S} {17,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 L u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} + +C6H9L2(170) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} +4 C u1 p0 c0 {1,S} {3,S} {14,S} +5 C u0 p0 c0 {2,S} {6,D} {15,S} +6 C u0 p0 c0 {5,D} {16,S} {17,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 L u0 p0 c0 {4,S} +15 L u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} + +C6H10R(171) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +4 C u1 p0 c0 {1,S} {5,S} {14,S} +5 C u0 p0 c0 {4,S} {6,D} {15,S} +6 C u0 p0 c0 {5,D} {16,S} {17,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 R u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} + +C7H11LR(172) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {6,S} {8,S} +3 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +4 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} +5 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} +6 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} +7 C u1 p0 c0 {1,S} {19,S} {20,S} +8 L u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} +19 R u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} + +C5H8(173) +1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {3,D} {9,S} +3 C u0 p0 c0 {2,D} {4,S} {11,S} +4 C u0 p0 c0 {3,S} {5,D} {10,S} +5 C u0 p0 c0 {4,D} {12,S} {13,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} + +C5H7(174) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,D} {7,S} +2 C u0 p0 c0 {1,S} {5,D} {6,S} +3 C u0 p0 c0 {1,D} {4,S} {8,S} +4 C u1 p0 c0 {3,S} {11,S} {12,S} +5 C u0 p0 c0 {2,D} {9,S} {10,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} + +C9H12L(175) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {5,D} {14,S} +4 C u1 p0 c0 {2,S} {6,S} {15,S} +5 C u0 p0 c0 {3,D} {7,S} {17,S} +6 C u0 p0 c0 {4,S} {9,D} {18,S} +7 C u0 p0 c0 {5,S} {8,D} {16,S} +8 C u0 p0 c0 {7,D} {19,S} {20,S} +9 C u0 p0 c0 {6,D} {21,S} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {8,S} +21 L u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} + +C8H12L(176) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} +4 C u1 p0 c0 {1,S} {3,S} {16,S} +5 C u0 p0 c0 {2,S} {6,D} {17,S} +6 C u0 p0 c0 {5,D} {7,S} {19,S} +7 C u0 p0 c0 {6,S} {8,D} {18,S} +8 C u0 p0 c0 {7,D} {20,S} {21,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 L u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {8,S} + +C9H14R(177) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} +3 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} +5 C u1 p0 c0 {1,S} {3,S} {4,S} +6 C u0 p0 c0 {2,S} {7,D} {20,S} +7 C u0 p0 c0 {6,D} {8,S} {22,S} +8 C u0 p0 c0 {7,S} {9,D} {21,S} +9 C u0 p0 c0 {8,D} {23,S} {24,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 R u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} + +C5H7(178) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u1 p0 c0 {1,S} {5,S} {10,S} +4 C u0 p0 c0 {2,S} {5,D} {11,S} +5 C u0 p0 c0 {3,S} {4,D} {12,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} + +C10H14(179) +1 C u0 p0 c0 {2,S} {3,S} {5,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} +4 C u0 p0 c0 {2,S} {6,S} {14,S} {15,S} +5 C u0 p0 c0 {1,S} {6,D} {19,S} +6 C u0 p0 c0 {4,S} {5,D} {18,S} +7 C u0 p0 c0 {3,S} {8,D} {20,S} +8 C u0 p0 c0 {7,D} {9,S} {22,S} +9 C u0 p0 c0 {8,S} {10,D} {21,S} +10 C u0 p0 c0 {9,D} {23,S} {24,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {10,S} + +C5H8(180) +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {5,D} {12,S} +5 C u0 p0 c0 {3,S} {4,D} {13,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} + +C11H17(181) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {14,S} {15,S} +2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} +4 C u0 p0 c0 {7,S} {19,S} {20,S} {21,S} +5 C u1 p0 c0 {1,S} {3,S} {8,S} +6 C u0 p0 c0 {2,S} {9,D} {22,S} +7 C u0 p0 c0 {4,S} {8,D} {23,S} +8 C u0 p0 c0 {5,S} {7,D} {26,S} +9 C u0 p0 c0 {6,D} {10,S} {25,S} +10 C u0 p0 c0 {9,S} {11,D} {24,S} +11 C u0 p0 c0 {10,D} {27,S} {28,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {11,S} +28 H u0 p0 c0 {11,S} + +C10H14L(182) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} +3 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} +4 C u1 p0 c0 {1,S} {3,S} {6,S} +5 C u0 p0 c0 {2,S} {7,D} {18,S} +6 C u0 p0 c0 {4,S} {10,D} {21,S} +7 C u0 p0 c0 {5,D} {8,S} {20,S} +8 C u0 p0 c0 {7,S} {9,D} {19,S} +9 C u0 p0 c0 {8,D} {22,S} {23,S} +10 C u0 p0 c0 {6,D} {24,S} {25,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {9,S} +24 L u0 p0 c0 {10,S} +25 H u0 p0 c0 {10,S} + +C10H15(183) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +3 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} +4 C u1 p0 c0 {2,S} {7,S} {20,S} +5 C u0 p0 c0 {1,S} {8,D} {18,S} +6 C u0 p0 c0 {3,S} {7,D} {19,S} +7 C u0 p0 c0 {4,S} {6,D} {23,S} +8 C u0 p0 c0 {5,D} {9,S} {22,S} +9 C u0 p0 c0 {8,S} {10,D} {21,S} +10 C u0 p0 c0 {9,D} {24,S} {25,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {10,S} + +C10H14(184) +1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {5,D} {15,S} +4 C u0 p0 c0 {2,S} {6,D} {16,S} +5 C u0 p0 c0 {3,D} {7,S} {18,S} +6 C u0 p0 c0 {4,D} {8,S} {20,S} +7 C u0 p0 c0 {5,S} {9,D} {17,S} +8 C u0 p0 c0 {6,S} {10,D} {19,S} +9 C u0 p0 c0 {7,D} {21,S} {22,S} +10 C u0 p0 c0 {8,D} {23,S} {24,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {10,S} + +C9H12L(185) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {5,D} {14,S} +4 C u1 p0 c0 {2,S} {6,S} {15,S} +5 C u0 p0 c0 {3,D} {7,S} {17,S} +6 C u0 p0 c0 {4,S} {9,D} {18,S} +7 C u0 p0 c0 {5,S} {8,D} {16,S} +8 C u0 p0 c0 {7,D} {19,S} {20,S} +9 C u0 p0 c0 {6,D} {21,S} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 L u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} + +C10H14(186) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {12,S} +3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {6,S} {15,S} {16,S} +5 C u0 p0 c0 {3,S} {9,S} {17,S} {18,S} +6 C u0 p0 c0 {4,S} {10,S} {19,S} {20,S} +7 C u0 p0 c0 {1,S} {9,D} {22,S} +8 C u0 p0 c0 {2,S} {10,D} {24,S} +9 C u0 p0 c0 {5,S} {7,D} {21,S} +10 C u0 p0 c0 {6,S} {8,D} {23,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {8,S} + +C5H6(187) +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,D} {9,S} +4 C u0 p0 c0 {2,D} {5,S} {10,S} +5 C u0 p0 c0 {3,D} {4,S} {11,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} + +C11H18L(188) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} +3 C u0 p0 c0 {4,S} {7,S} {18,S} {19,S} +4 C u0 p0 c0 {3,S} {8,S} {14,S} {15,S} +5 C u0 p0 c0 {1,S} {20,S} {21,S} {22,S} +6 C u0 p0 c0 {7,S} {23,S} {24,S} {25,S} +7 C u1 p0 c0 {2,S} {3,S} {6,S} +8 C u0 p0 c0 {4,S} {9,D} {26,S} +9 C u0 p0 c0 {8,D} {10,S} {28,S} +10 C u0 p0 c0 {9,S} {11,D} {27,S} +11 C u0 p0 c0 {10,D} {29,S} {30,S} +12 L u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {6,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {10,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {11,S} +30 H u0 p0 c0 {11,S} + +C5H5(189) +multiplicity 2 +1 C u1 p0 c0 {3,S} {5,S} {9,S} +2 C u0 p0 c0 {3,D} {4,S} {6,S} +3 C u0 p0 c0 {1,S} {2,D} {7,S} +4 C u0 p0 c0 {2,S} {5,D} {8,S} +5 C u0 p0 c0 {1,S} {4,D} {10,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {5,S} + +C9H14L(190) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {6,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} +5 C u1 p0 c0 {2,S} {4,S} {7,S} +6 C u0 p0 c0 {1,S} {3,S} {8,D} +7 C u0 p0 c0 {5,S} {9,D} {20,S} +8 C u0 p0 c0 {6,D} {21,S} {22,S} +9 C u0 p0 c0 {7,D} {23,S} {24,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {8,S} +23 L u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} + +C8H13(191) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} +4 C u1 p0 c0 {1,S} {3,S} {16,S} +5 C u0 p0 c0 {2,S} {6,D} {17,S} +6 C u0 p0 c0 {5,D} {7,S} {19,S} +7 C u0 p0 c0 {6,S} {8,D} {18,S} +8 C u0 p0 c0 {7,D} {20,S} {21,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {8,S} + +C12H20R(192) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {13,S} +2 C u0 p0 c0 {1,S} {8,S} {16,S} {17,S} +3 C u0 p0 c0 {4,S} {8,S} {18,S} {19,S} +4 C u0 p0 c0 {3,S} {9,S} {14,S} {15,S} +5 C u0 p0 c0 {1,S} {20,S} {21,S} {22,S} +6 C u0 p0 c0 {1,S} {23,S} {24,S} {25,S} +7 C u0 p0 c0 {8,S} {26,S} {27,S} {28,S} +8 C u1 p0 c0 {2,S} {3,S} {7,S} +9 C u0 p0 c0 {4,S} {10,D} {29,S} +10 C u0 p0 c0 {9,D} {11,S} {31,S} +11 C u0 p0 c0 {10,S} {12,D} {30,S} +12 C u0 p0 c0 {11,D} {32,S} {33,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 R u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {6,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {7,S} +28 H u0 p0 c0 {7,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {11,S} +31 H u0 p0 c0 {10,S} +32 H u0 p0 c0 {12,S} +33 H u0 p0 c0 {12,S} + +C7H12L(193) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} +5 C u1 p0 c0 {2,S} {7,S} {18,S} +6 C u0 p0 c0 {4,S} {7,D} {19,S} +7 C u0 p0 c0 {5,S} {6,D} {20,S} +8 L u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} + +C8H12(194) +1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {5,D} {13,S} +4 C u0 p0 c0 {2,S} {7,D} {14,S} +5 C u0 p0 c0 {3,D} {6,S} {16,S} +6 C u0 p0 c0 {5,S} {8,D} {15,S} +7 C u0 p0 c0 {4,D} {19,S} {20,S} +8 C u0 p0 c0 {6,D} {17,S} {18,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} + +[CH2]CC(195) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u1 p0 c0 {1,S} {9,S} {10,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} + +C2H4(196) +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} + +C8H13(197) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {6,S} {10,S} +3 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} +5 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +6 C u0 p0 c0 {2,S} {7,D} {18,S} +7 C u0 p0 c0 {6,D} {8,S} {19,S} +8 C u1 p0 c0 {7,S} {20,S} {21,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {8,S} + +C8H13(198) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {9,S} +2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} +3 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {3,S} {7,D} +5 C u0 p0 c0 {1,S} {8,D} {15,S} +6 C u1 p0 c0 {2,S} {16,S} {17,S} +7 C u0 p0 c0 {4,D} {18,S} {19,S} +8 C u0 p0 c0 {5,D} {20,S} {21,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {8,S} + +C7H12R(199) +multiplicity 2 +1 C u0 p0 c0 {5,S} {8,S} {9,S} {10,S} +2 C u0 p0 c0 {5,S} {11,S} {12,S} {13,S} +3 C u0 p0 c0 {6,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +5 C u1 p0 c0 {1,S} {2,S} {7,S} +6 C u0 p0 c0 {3,S} {4,S} {7,D} +7 C u0 p0 c0 {5,S} {6,D} {20,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 R u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {7,S} + +C10H14(200) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {8,D} {14,S} +4 C u0 p0 c0 {1,S} {9,D} {15,S} +5 C u0 p0 c0 {2,S} {6,D} {16,S} +6 C u0 p0 c0 {5,D} {7,S} {18,S} +7 C u0 p0 c0 {6,S} {10,D} {17,S} +8 C u0 p0 c0 {3,D} {19,S} {20,S} +9 C u0 p0 c0 {4,D} {21,S} {22,S} +10 C u0 p0 c0 {7,D} {23,S} {24,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {10,S} + +C10H12(201) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {6,D} {14,S} +4 C u0 p0 c0 {1,S} {7,D} {15,S} +5 C u0 p0 c0 {2,S} {8,D} {16,S} +6 C u0 p0 c0 {3,D} {7,S} {17,S} +7 C u0 p0 c0 {4,D} {6,S} {18,S} +8 C u0 p0 c0 {5,D} {9,S} {20,S} +9 C u0 p0 c0 {8,S} {10,D} {19,S} +10 C u0 p0 c0 {9,D} {21,S} {22,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {10,S} + +C10H13(202) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +4 C u1 p0 c0 {1,S} {7,S} {17,S} +5 C u0 p0 c0 {2,S} {8,D} {16,S} +6 C u0 p0 c0 {3,S} {7,D} {18,S} +7 C u0 p0 c0 {4,S} {6,D} {21,S} +8 C u0 p0 c0 {5,D} {9,S} {20,S} +9 C u0 p0 c0 {8,S} {10,D} {19,S} +10 C u0 p0 c0 {9,D} {22,S} {23,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} + +C5H9L2(203) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} +5 C u1 p0 c0 {2,S} {4,S} {16,S} +6 L u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 L u0 p0 c0 {5,S} + +C11H16(204) +1 C u0 p0 c0 {2,S} {4,S} {7,S} {12,S} +2 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} +3 C u0 p0 c0 {2,S} {6,S} {17,S} {18,S} +4 C u0 p0 c0 {1,S} {8,S} {15,S} {16,S} +5 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} +6 C u0 p0 c0 {3,S} {5,S} {7,D} +7 C u0 p0 c0 {1,S} {6,D} {23,S} +8 C u0 p0 c0 {4,S} {9,D} {22,S} +9 C u0 p0 c0 {8,D} {10,S} {25,S} +10 C u0 p0 c0 {9,S} {11,D} {24,S} +11 C u0 p0 c0 {10,D} {26,S} {27,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {11,S} + +C10H14L(205) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +3 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} +4 C u0 p0 c0 {3,S} {5,S} {9,D} +5 C u1 p0 c0 {2,S} {4,S} {19,S} +6 C u0 p0 c0 {1,S} {7,D} {18,S} +7 C u0 p0 c0 {6,D} {8,S} {21,S} +8 C u0 p0 c0 {7,S} {10,D} {20,S} +9 C u0 p0 c0 {4,D} {24,S} {25,S} +10 C u0 p0 c0 {8,D} {22,S} {23,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 L u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {9,S} + +C7H11LR(206) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +5 C u1 p0 c0 {2,S} {6,S} {17,S} +6 C u0 p0 c0 {5,S} {7,D} {18,S} +7 C u0 p0 c0 {6,D} {19,S} {20,S} +8 H u0 p0 c0 {1,S} +9 L u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 R u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} + +C8H9R(207) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {9,S} +2 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {6,D} {12,S} +4 C u0 p0 c0 {1,S} {7,D} {13,S} +5 C u0 p0 c0 {2,S} {8,D} {14,S} +6 C u0 p0 c0 {3,D} {7,S} {15,S} +7 C u0 p0 c0 {4,D} {6,S} {16,S} +8 C u0 p0 c0 {5,D} {17,S} {18,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 R u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} + +C8H11LR(208) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +4 C u0 p0 c0 {2,S} {6,S} {12,S} {13,S} +5 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} +6 C u1 p0 c0 {3,S} {4,S} {5,S} +7 C u0 p0 c0 {1,S} {8,D} {19,S} +8 C u0 p0 c0 {7,D} {20,S} {21,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 R u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {7,S} +20 L u0 p0 c0 {8,S} +21 H u0 p0 c0 {8,S} + +C8H11LR(209) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} +2 C u0 p0 c0 {3,S} {5,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +5 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +6 C u0 p0 c0 {1,S} {8,S} {16,S} {17,S} +7 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +8 C u1 p0 c0 {2,S} {6,S} {21,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 R u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 L u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} + +C10H13(210) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {6,S} {12,S} +3 C u0 p0 c0 {1,S} {7,S} {13,S} {14,S} +4 C u1 p0 c0 {1,S} {8,S} {18,S} +5 C u0 p0 c0 {2,S} {9,D} {15,S} +6 C u0 p0 c0 {2,S} {10,D} {16,S} +7 C u0 p0 c0 {3,S} {8,D} {17,S} +8 C u0 p0 c0 {4,S} {7,D} {19,S} +9 C u0 p0 c0 {5,D} {20,S} {21,S} +10 C u0 p0 c0 {6,D} {22,S} {23,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} + +C11H16(211) +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {8,S} {14,S} {15,S} +4 C u0 p0 c0 {2,S} {7,S} {16,S} {17,S} +5 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +6 C u0 p0 c0 {1,S} {7,D} {23,S} +7 C u0 p0 c0 {4,S} {6,D} {22,S} +8 C u0 p0 c0 {3,S} {9,D} {21,S} +9 C u0 p0 c0 {8,D} {10,S} {25,S} +10 C u0 p0 c0 {9,S} {11,D} {24,S} +11 C u0 p0 c0 {10,D} {26,S} {27,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {11,S} + +C7H9LR(212) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +5 C u0 p0 c0 {3,S} {6,D} {15,S} +6 C u0 p0 c0 {4,S} {5,D} {16,S} +7 C u1 p0 c0 {1,S} {17,S} {18,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 R u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 L u0 p0 c0 {7,S} +18 H u0 p0 c0 {7,S} + +C8H11R(213) +1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {5,D} {13,S} +4 C u0 p0 c0 {2,S} {7,D} {14,S} +5 C u0 p0 c0 {3,D} {6,S} {16,S} +6 C u0 p0 c0 {5,S} {8,D} {15,S} +7 C u0 p0 c0 {4,D} {19,S} {20,S} +8 C u0 p0 c0 {6,D} {17,S} {18,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} +19 R u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} + +C8H14R(214) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {9,S} +2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +5 C u0 p0 c0 {7,S} {18,S} {19,S} {20,S} +6 C u1 p0 c0 {2,S} {8,S} {22,S} +7 C u0 p0 c0 {5,S} {8,D} {21,S} +8 C u0 p0 c0 {6,S} {7,D} {23,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 R u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {8,S} + +C7H9LR(215) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {6,S} {8,S} +2 C u0 p0 c0 {3,S} {5,S} {7,S} {9,S} +3 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +5 C u0 p0 c0 {2,S} {4,S} {12,S} {13,S} +6 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} +7 C u1 p0 c0 {2,S} {6,S} {18,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} +14 L u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 R u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} + +C8H13R2(216) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {7,S} {9,S} {10,S} +3 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} +4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} +5 C u0 p0 c0 {7,S} {13,S} {14,S} {15,S} +6 C u1 p0 c0 {1,S} {3,S} {4,S} +7 C u0 p0 c0 {2,S} {5,S} {8,D} +8 C u0 p0 c0 {7,D} {22,S} {23,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 R u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 R u0 p0 c0 {8,S} +23 H u0 p0 c0 {8,S} + +C7H9LR(217) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} +5 C u1 p0 c0 {3,S} {4,S} {15,S} +6 C u0 p0 c0 {1,S} {7,D} {16,S} +7 C u0 p0 c0 {6,D} {17,S} {18,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 L u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 R u0 p0 c0 {7,S} +18 H u0 p0 c0 {7,S} + +C7H9LR(218) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} +3 C u0 p0 c0 {2,S} {5,D} {13,S} +4 C u0 p0 c0 {1,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {7,S} {14,S} +6 C u0 p0 c0 {4,D} {17,S} {18,S} +7 C u1 p0 c0 {5,S} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 R u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} +17 L u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} + +C3H4L(219) +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 C u1 p0 c0 {1,S} {7,S} {8,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 L u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} + +C4H5R(220) +1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 C u0 p0 c0 {2,D} {9,S} {10,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 R u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} + +C7H9(221) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {7,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {1,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {6,S} {13,S} +6 C u0 p0 c0 {4,D} {5,S} {14,S} +7 C u1 p0 c0 {2,S} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} + +C9H12R(222) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {5,D} {14,S} +4 C u1 p0 c0 {2,S} {6,S} {15,S} +5 C u0 p0 c0 {3,D} {7,S} {17,S} +6 C u0 p0 c0 {4,S} {9,D} {18,S} +7 C u0 p0 c0 {5,S} {8,D} {16,S} +8 C u0 p0 c0 {7,D} {19,S} {20,S} +9 C u0 p0 c0 {6,D} {21,S} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {8,S} +21 R u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} + +C9H15(223) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} +3 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} +5 C u1 p0 c0 {1,S} {3,S} {4,S} +6 C u0 p0 c0 {2,S} {7,D} {20,S} +7 C u0 p0 c0 {6,D} {8,S} {22,S} +8 C u0 p0 c0 {7,S} {9,D} {21,S} +9 C u0 p0 c0 {8,D} {23,S} {24,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} + +C4H6R(224) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 C u1 p0 c0 {2,S} {10,S} {11,S} +5 R u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} + +RC[C]1CC1(225) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} +4 C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 R u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} + +C11H15(226) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {12,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {13,S} +3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +4 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {3,S} {4,S} {9,D} +6 C u1 p0 c0 {1,S} {9,S} {21,S} +7 C u0 p0 c0 {2,S} {10,D} {19,S} +8 C u0 p0 c0 {2,S} {11,D} {20,S} +9 C u0 p0 c0 {5,D} {6,S} {22,S} +10 C u0 p0 c0 {7,D} {23,S} {24,S} +11 C u0 p0 c0 {8,D} {25,S} {26,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} + +C9H14R(227) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} +3 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} +5 C u1 p0 c0 {1,S} {3,S} {4,S} +6 C u0 p0 c0 {2,S} {7,D} {20,S} +7 C u0 p0 c0 {6,D} {8,S} {22,S} +8 C u0 p0 c0 {7,S} {9,D} {21,S} +9 C u0 p0 c0 {8,D} {23,S} {24,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 R u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} + +C9H13LR(228) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {6,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} +5 C u1 p0 c0 {2,S} {4,S} {7,S} +6 C u0 p0 c0 {1,S} {3,S} {8,D} +7 C u0 p0 c0 {5,S} {9,D} {20,S} +8 C u0 p0 c0 {6,D} {21,S} {22,S} +9 C u0 p0 c0 {7,D} {23,S} {24,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 R u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {8,S} +23 L u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} + +C11H16(229) +1 C u0 p0 c0 {2,S} {3,S} {6,S} {12,S} +2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {8,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {7,S} {17,S} {18,S} +5 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} +6 C u0 p0 c0 {1,S} {5,S} {7,D} +7 C u0 p0 c0 {4,S} {6,D} {23,S} +8 C u0 p0 c0 {3,S} {9,D} {22,S} +9 C u0 p0 c0 {8,D} {10,S} {25,S} +10 C u0 p0 c0 {9,S} {11,D} {24,S} +11 C u0 p0 c0 {10,D} {26,S} {27,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {11,S} + +C7H10L(230) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {4,D} {12,S} +4 C u0 p0 c0 {3,D} {5,S} {14,S} +5 C u0 p0 c0 {4,S} {7,D} {13,S} +6 C u1 p0 c0 {2,S} {15,S} {16,S} +7 C u0 p0 c0 {5,D} {17,S} {18,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {4,S} +15 L u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {7,S} + +C9H15(231) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {8,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {9,S} {13,S} {14,S} +5 C u0 p0 c0 {7,S} {17,S} {18,S} {19,S} +6 C u0 p0 c0 {8,S} {20,S} {21,S} {22,S} +7 C u0 p0 c0 {1,S} {5,S} {9,D} +8 C u1 p0 c0 {3,S} {6,S} {23,S} +9 C u0 p0 c0 {4,S} {7,D} {24,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} + +C10H16R(232) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {8,S} {11,S} {12,S} +3 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +4 C u0 p0 c0 {6,S} {21,S} {22,S} {23,S} +5 C u0 p0 c0 {7,S} {15,S} {16,S} {17,S} +6 C u1 p0 c0 {1,S} {3,S} {4,S} +7 C u0 p0 c0 {5,S} {8,D} {9,S} +8 C u0 p0 c0 {2,S} {7,D} {24,S} +9 C u0 p0 c0 {7,S} {10,D} {25,S} +10 C u0 p0 c0 {9,D} {26,S} {27,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 R u0 p0 c0 {4,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {4,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {10,S} + +C11H15(233) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {12,S} +2 C u0 p0 c0 {1,S} {8,S} {9,S} {13,S} +3 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} +4 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {4,S} {6,S} {7,D} +6 C u1 p0 c0 {1,S} {5,S} {22,S} +7 C u0 p0 c0 {3,S} {5,D} {21,S} +8 C u0 p0 c0 {2,S} {10,D} {19,S} +9 C u0 p0 c0 {2,S} {11,D} {20,S} +10 C u0 p0 c0 {8,D} {23,S} {24,S} +11 C u0 p0 c0 {9,D} {25,S} {26,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} + +C11H15(234) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {12,S} +2 C u0 p0 c0 {1,S} {7,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} +4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {1,S} {4,S} {8,D} +6 C u1 p0 c0 {3,S} {8,S} {21,S} +7 C u0 p0 c0 {2,S} {9,D} {20,S} +8 C u0 p0 c0 {5,D} {6,S} {24,S} +9 C u0 p0 c0 {7,D} {10,S} {23,S} +10 C u0 p0 c0 {9,S} {11,D} {22,S} +11 C u0 p0 c0 {10,D} {25,S} {26,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} + +C10H15(235) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {7,D} {18,S} +5 C u0 p0 c0 {2,S} {6,D} {17,S} +6 C u0 p0 c0 {5,D} {8,S} {20,S} +7 C u0 p0 c0 {4,D} {9,S} {21,S} +8 C u0 p0 c0 {6,S} {10,D} {19,S} +9 C u1 p0 c0 {7,S} {24,S} {25,S} +10 C u0 p0 c0 {8,D} {22,S} {23,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {9,S} + +C8H11LR(236) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} +3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {3,S} {7,D} +5 C u1 p0 c0 {2,S} {6,S} {16,S} +6 C u0 p0 c0 {5,S} {8,D} {17,S} +7 C u0 p0 c0 {4,D} {18,S} {19,S} +8 C u0 p0 c0 {6,D} {20,S} {21,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 R u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {7,S} +20 L u0 p0 c0 {8,S} +21 H u0 p0 c0 {8,S} + +C7H12L(237) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} +3 C u0 p0 c0 {5,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} +5 C u0 p0 c0 {1,S} {3,S} {7,D} +6 C u1 p0 c0 {2,S} {4,S} {18,S} +7 C u0 p0 c0 {5,D} {19,S} {20,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 L u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} + +C11H17(238) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} +4 C u0 p0 c0 {7,S} {19,S} {20,S} {21,S} +5 C u0 p0 c0 {1,S} {3,S} {8,D} +6 C u1 p0 c0 {2,S} {9,S} {23,S} +7 C u0 p0 c0 {4,S} {9,D} {22,S} +8 C u0 p0 c0 {5,D} {10,S} {24,S} +9 C u0 p0 c0 {6,S} {7,D} {26,S} +10 C u0 p0 c0 {8,S} {11,D} {25,S} +11 C u0 p0 c0 {10,D} {27,S} {28,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {9,S} +27 H u0 p0 c0 {11,S} +28 H u0 p0 c0 {11,S} + +C6H7(239) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 C u0 p0 c0 {1,S} {5,D} {9,S} +4 C u0 p0 c0 {2,D} {5,S} {11,S} +5 C u0 p0 c0 {3,D} {4,S} {10,S} +6 C u1 p0 c0 {2,S} {12,S} {13,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} + +C10H13R(240) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +4 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {2,S} {4,S} {9,D} +6 C u0 p0 c0 {3,S} {8,S} {10,D} +7 C u0 p0 c0 {1,S} {8,D} {19,S} +8 C u0 p0 c0 {6,S} {7,D} {20,S} +9 C u0 p0 c0 {5,D} {23,S} {24,S} +10 C u0 p0 c0 {6,D} {21,S} {22,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 R u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} + +C9H12L(241) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {5,S} {7,S} {14,S} {15,S} +4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {1,S} {3,S} {8,D} +6 C u1 p0 c0 {2,S} {4,S} {19,S} +7 C u0 p0 c0 {3,S} {9,D} {20,S} +8 C u0 p0 c0 {5,D} {9,S} {22,S} +9 C u0 p0 c0 {7,D} {8,S} {21,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 L u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {8,S} + +C8H11(242) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {9,S} +2 C u0 p0 c0 {1,S} {7,S} {10,S} {11,S} +3 C u0 p0 c0 {4,S} {6,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {3,S} {8,D} +5 C u0 p0 c0 {1,S} {6,D} {15,S} +6 C u0 p0 c0 {3,S} {5,D} {14,S} +7 C u1 p0 c0 {2,S} {16,S} {17,S} +8 C u0 p0 c0 {4,D} {18,S} {19,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {8,S} + +C10H12L(243) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +3 C u0 p0 c0 {4,S} {6,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {3,S} {7,D} +5 C u1 p0 c0 {2,S} {9,S} {18,S} +6 C u0 p0 c0 {3,S} {8,D} {17,S} +7 C u0 p0 c0 {4,D} {8,S} {20,S} +8 C u0 p0 c0 {6,D} {7,S} {19,S} +9 C u0 p0 c0 {5,S} {10,D} {21,S} +10 C u0 p0 c0 {9,D} {22,S} {23,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {9,S} +22 L u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} + +C12H14(244) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {5,S} {8,S} {14,S} +3 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} +4 C u0 p0 c0 {5,S} {9,S} {17,S} {18,S} +5 C u0 p0 c0 {2,S} {4,S} {11,D} +6 C u0 p0 c0 {3,S} {10,S} {12,D} +7 C u0 p0 c0 {1,S} {10,D} {19,S} +8 C u0 p0 c0 {2,S} {9,D} {21,S} +9 C u0 p0 c0 {4,S} {8,D} {20,S} +10 C u0 p0 c0 {6,S} {7,D} {22,S} +11 C u0 p0 c0 {5,D} {25,S} {26,S} +12 C u0 p0 c0 {6,D} {23,S} {24,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {12,S} +24 H u0 p0 c0 {12,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} + +C9H12L(245) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {7,S} {16,S} {17,S} +5 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} +6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +7 C u0 p0 c0 {4,S} {5,S} {9,D} +8 C u1 p0 c0 {2,S} {9,S} {21,S} +9 C u0 p0 c0 {7,D} {8,S} {22,S} +10 L u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} + +C11H14(246) +1 C u0 p0 c0 {2,S} {3,S} {5,S} {12,S} +2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {7,S} {10,D} +5 C u0 p0 c0 {1,S} {7,D} {17,S} +6 C u0 p0 c0 {3,S} {8,D} {18,S} +7 C u0 p0 c0 {4,S} {5,D} {19,S} +8 C u0 p0 c0 {6,D} {9,S} {21,S} +9 C u0 p0 c0 {8,S} {11,D} {20,S} +10 C u0 p0 c0 {4,D} {22,S} {23,S} +11 C u0 p0 c0 {9,D} {24,S} {25,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {11,S} + +C10H14R(247) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} +3 C u0 p0 c0 {7,S} {8,S} {15,S} {16,S} +4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {6,S} {20,S} {21,S} {22,S} +6 C u1 p0 c0 {1,S} {4,S} {5,S} +7 C u0 p0 c0 {2,S} {3,S} {9,D} +8 C u0 p0 c0 {3,S} {10,D} {23,S} +9 C u0 p0 c0 {7,D} {10,S} {25,S} +10 C u0 p0 c0 {8,D} {9,S} {24,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 R u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {9,S} + +C11H14L(248) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {7,S} {16,S} {17,S} +4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {1,S} {3,S} {8,D} +6 C u1 p0 c0 {2,S} {4,S} {9,S} +7 C u0 p0 c0 {3,S} {10,D} {21,S} +8 C u0 p0 c0 {5,D} {10,S} {23,S} +9 C u0 p0 c0 {6,S} {11,D} {24,S} +10 C u0 p0 c0 {7,D} {8,S} {22,S} +11 C u0 p0 c0 {9,D} {25,S} {26,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} +25 L u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} + +C10H12L(249) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {12,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {6,S} {17,S} {18,S} +5 C u0 p0 c0 {3,S} {6,S} {15,S} {16,S} +6 C u0 p0 c0 {4,S} {5,S} {9,D} +7 C u1 p0 c0 {2,S} {9,S} {19,S} +8 C u0 p0 c0 {1,S} {10,D} {20,S} +9 C u0 p0 c0 {6,D} {7,S} {21,S} +10 C u0 p0 c0 {8,D} {22,S} {23,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {9,S} +22 L u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} + +C10H14R(250) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {8,S} {16,S} {17,S} +5 C u0 p0 c0 {3,S} {8,S} {14,S} {15,S} +6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +7 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +8 C u0 p0 c0 {4,S} {5,S} {10,D} +9 C u1 p0 c0 {2,S} {10,S} {24,S} +10 C u0 p0 c0 {8,D} {9,S} {25,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 R u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {10,S} + +C11H14(251) +1 C u0 p0 c0 {2,S} {4,S} {5,S} {12,S} +2 C u0 p0 c0 {1,S} {7,S} {13,S} {14,S} +3 C u0 p0 c0 {4,S} {6,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {3,S} {10,D} +5 C u0 p0 c0 {1,S} {6,D} {18,S} +6 C u0 p0 c0 {3,S} {5,D} {17,S} +7 C u0 p0 c0 {2,S} {8,D} {19,S} +8 C u0 p0 c0 {7,D} {9,S} {21,S} +9 C u0 p0 c0 {8,S} {11,D} {20,S} +10 C u0 p0 c0 {4,D} {22,S} {23,S} +11 C u0 p0 c0 {9,D} {24,S} {25,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {11,S} + +C6H6(252) +1 C u0 p0 c0 {2,S} {3,S} {6,D} +2 C u0 p0 c0 {1,S} {4,D} {7,S} +3 C u0 p0 c0 {1,S} {5,D} {9,S} +4 C u0 p0 c0 {2,D} {5,S} {8,S} +5 C u0 p0 c0 {3,D} {4,S} {10,S} +6 C u0 p0 c0 {1,D} {11,S} {12,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} + +C9H15L2(253) +multiplicity 2 +1 C u0 p0 c0 {2,S} {7,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {8,S} {14,S} {15,S} +3 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {3,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {7,S} {19,S} {20,S} {21,S} +6 C u0 p0 c0 {8,S} {22,S} {23,S} {24,S} +7 C u0 p0 c0 {1,S} {5,S} {9,D} +8 C u1 p0 c0 {2,S} {6,S} {25,S} +9 C u0 p0 c0 {3,S} {7,D} {26,S} +10 L u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 L u0 p0 c0 {8,S} +26 H u0 p0 c0 {9,S} + +C12H14(254) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {14,S} +3 C u0 p0 c0 {1,S} {5,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {6,S} {17,S} {18,S} +5 C u0 p0 c0 {3,S} {9,S} {11,D} +6 C u0 p0 c0 {4,S} {10,S} {12,D} +7 C u0 p0 c0 {1,S} {9,D} {19,S} +8 C u0 p0 c0 {2,S} {10,D} {20,S} +9 C u0 p0 c0 {5,S} {7,D} {21,S} +10 C u0 p0 c0 {6,S} {8,D} {22,S} +11 C u0 p0 c0 {5,D} {23,S} {24,S} +12 C u0 p0 c0 {6,D} {25,S} {26,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {12,S} + +C12H14(255) +1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {8,S} {14,S} +3 C u0 p0 c0 {5,S} {9,S} {15,S} {16,S} +4 C u0 p0 c0 {6,S} {10,S} {17,S} {18,S} +5 C u0 p0 c0 {1,S} {3,S} {11,D} +6 C u0 p0 c0 {2,S} {4,S} {12,D} +7 C u0 p0 c0 {1,S} {9,D} {20,S} +8 C u0 p0 c0 {2,S} {10,D} {22,S} +9 C u0 p0 c0 {3,S} {7,D} {19,S} +10 C u0 p0 c0 {4,S} {8,D} {21,S} +11 C u0 p0 c0 {5,D} {23,S} {24,S} +12 C u0 p0 c0 {6,D} {25,S} {26,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {12,S} + +C11H15(256) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {7,S} {16,S} {17,S} +4 C u0 p0 c0 {8,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {1,S} {3,S} {9,D} +6 C u1 p0 c0 {2,S} {10,S} {23,S} +7 C u0 p0 c0 {3,S} {11,D} {21,S} +8 C u0 p0 c0 {4,S} {10,D} {22,S} +9 C u0 p0 c0 {5,D} {11,S} {25,S} +10 C u0 p0 c0 {6,S} {8,D} {26,S} +11 C u0 p0 c0 {7,D} {9,S} {24,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {10,S} + +C12H14(257) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {5,S} {16,S} {17,S} +3 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +4 C u0 p0 c0 {5,S} {8,S} {18,S} {19,S} +5 C u0 p0 c0 {2,S} {4,S} {10,D} +6 C u0 p0 c0 {3,S} {9,S} {12,D} +7 C u0 p0 c0 {1,S} {9,D} {20,S} +8 C u0 p0 c0 {4,S} {11,D} {21,S} +9 C u0 p0 c0 {6,S} {7,D} {22,S} +10 C u0 p0 c0 {5,D} {11,S} {24,S} +11 C u0 p0 c0 {8,D} {10,S} {23,S} +12 C u0 p0 c0 {6,D} {25,S} {26,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {12,S} + +C11H14L(258) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {12,S} +3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {7,S} {17,S} {18,S} +5 C u0 p0 c0 {3,S} {7,S} {15,S} {16,S} +6 C u0 p0 c0 {1,S} {19,S} {20,S} {21,S} +7 C u0 p0 c0 {4,S} {5,S} {10,D} +8 C u0 p0 c0 {1,S} {11,D} {23,S} +9 C u1 p0 c0 {2,S} {10,S} {22,S} +10 C u0 p0 c0 {7,D} {9,S} {24,S} +11 C u0 p0 c0 {8,D} {25,S} {26,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {10,S} +25 L u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} + +C12H18L(259) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {8,S} {17,S} {18,S} +3 C u0 p0 c0 {4,S} {8,S} {19,S} {20,S} +4 C u0 p0 c0 {3,S} {9,S} {15,S} {16,S} +5 C u0 p0 c0 {9,S} {10,S} {21,S} {22,S} +6 C u0 p0 c0 {1,S} {23,S} {24,S} {25,S} +7 C u0 p0 c0 {8,S} {26,S} {27,S} {28,S} +8 C u1 p0 c0 {2,S} {3,S} {7,S} +9 C u0 p0 c0 {4,S} {5,S} {11,D} +10 C u0 p0 c0 {5,S} {12,D} {29,S} +11 C u0 p0 c0 {9,D} {12,S} {31,S} +12 C u0 p0 c0 {10,D} {11,S} {30,S} +13 L u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {2,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {6,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {7,S} +28 H u0 p0 c0 {7,S} +29 H u0 p0 c0 {10,S} +30 H u0 p0 c0 {12,S} +31 H u0 p0 c0 {11,S} + +C9H13(260) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} +5 C u0 p0 c0 {2,S} {8,S} {9,D} +6 C u1 p0 c0 {3,S} {4,S} {18,S} +7 C u0 p0 c0 {1,S} {8,D} {19,S} +8 C u0 p0 c0 {5,S} {7,D} {20,S} +9 C u0 p0 c0 {5,D} {21,S} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} + +C12H14(261) +1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {8,S} {16,S} {17,S} +4 C u0 p0 c0 {6,S} {9,S} {18,S} {19,S} +5 C u0 p0 c0 {1,S} {3,S} {12,D} +6 C u0 p0 c0 {2,S} {4,S} {10,D} +7 C u0 p0 c0 {1,S} {8,D} {21,S} +8 C u0 p0 c0 {3,S} {7,D} {20,S} +9 C u0 p0 c0 {4,S} {11,D} {22,S} +10 C u0 p0 c0 {6,D} {11,S} {24,S} +11 C u0 p0 c0 {9,D} {10,S} {23,S} +12 C u0 p0 c0 {5,D} {25,S} {26,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {12,S} + +C5H7L(262) +1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {3,D} {9,S} +3 C u0 p0 c0 {2,D} {4,S} {10,S} +4 C u0 p0 c0 {3,S} {5,D} {11,S} +5 C u0 p0 c0 {4,D} {12,S} {13,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 L u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} + +C9H11R(263) +1 C u0 p0 c0 {2,S} {3,S} {5,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {7,S} {8,D} +5 C u0 p0 c0 {1,S} {7,D} {15,S} +6 C u0 p0 c0 {3,S} {9,D} {16,S} +7 C u0 p0 c0 {4,S} {5,D} {17,S} +8 C u0 p0 c0 {4,D} {18,S} {19,S} +9 C u0 p0 c0 {6,D} {20,S} {21,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {8,S} +20 R u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} + +C9H11R(264) +1 C u0 p0 c0 {2,S} {4,S} {5,S} {10,S} +2 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} +3 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {3,S} {8,D} +5 C u0 p0 c0 {1,S} {6,D} {16,S} +6 C u0 p0 c0 {3,S} {5,D} {15,S} +7 C u0 p0 c0 {2,S} {9,D} {17,S} +8 C u0 p0 c0 {4,D} {18,S} {19,S} +9 C u0 p0 c0 {7,D} {20,S} {21,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {8,S} +20 R u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} + +C11H15(265) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {13,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {12,S} +3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +4 C u0 p0 c0 {2,S} {7,S} {18,S} {19,S} +5 C u0 p0 c0 {3,S} {7,S} {16,S} {17,S} +6 C u0 p0 c0 {10,S} {20,S} {21,S} {22,S} +7 C u1 p0 c0 {4,S} {5,S} {11,S} +8 C u0 p0 c0 {1,S} {10,D} {25,S} +9 C u0 p0 c0 {2,S} {11,D} {24,S} +10 C u0 p0 c0 {6,S} {8,D} {23,S} +11 C u0 p0 c0 {7,S} {9,D} {26,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {11,S} + +C12H17(266) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} +3 C u0 p0 c0 {6,S} {8,S} {17,S} {18,S} +4 C u0 p0 c0 {7,S} {19,S} {20,S} {21,S} +5 C u0 p0 c0 {9,S} {22,S} {23,S} {24,S} +6 C u0 p0 c0 {1,S} {3,S} {11,D} +7 C u1 p0 c0 {2,S} {4,S} {10,S} +8 C u0 p0 c0 {3,S} {12,D} {25,S} +9 C u0 p0 c0 {5,S} {10,D} {26,S} +10 C u0 p0 c0 {7,S} {9,D} {29,S} +11 C u0 p0 c0 {6,D} {12,S} {28,S} +12 C u0 p0 c0 {8,D} {11,S} {27,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {5,S} +24 H u0 p0 c0 {5,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {9,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {11,S} +29 H u0 p0 c0 {10,S} + +C12H16(267) +1 C u0 p0 c0 {2,S} {3,S} {9,S} {14,S} +2 C u0 p0 c0 {1,S} {4,S} {10,S} {13,S} +3 C u0 p0 c0 {1,S} {5,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {8,S} {17,S} {18,S} +5 C u0 p0 c0 {3,S} {7,S} {19,S} {20,S} +6 C u0 p0 c0 {7,S} {21,S} {22,S} {23,S} +7 C u0 p0 c0 {5,S} {6,S} {9,D} +8 C u0 p0 c0 {4,S} {11,S} {12,D} +9 C u0 p0 c0 {1,S} {7,D} {25,S} +10 C u0 p0 c0 {2,S} {11,D} {24,S} +11 C u0 p0 c0 {8,S} {10,D} {26,S} +12 C u0 p0 c0 {8,D} {27,S} {28,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C9H11R(268) +1 C u0 p0 c0 {2,S} {3,S} {5,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {7,S} {8,D} +5 C u0 p0 c0 {1,S} {7,D} {15,S} +6 C u0 p0 c0 {3,S} {9,D} {16,S} +7 C u0 p0 c0 {4,S} {5,D} {17,S} +8 C u0 p0 c0 {4,D} {18,S} {19,S} +9 C u0 p0 c0 {6,D} {20,S} {21,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 R u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} + +C12H16(269) +1 C u0 p0 c0 {2,S} {3,S} {9,S} {13,S} +2 C u0 p0 c0 {1,S} {7,S} {10,S} {14,S} +3 C u0 p0 c0 {1,S} {4,S} {15,S} {16,S} +4 C u0 p0 c0 {3,S} {8,S} {17,S} {18,S} +5 C u0 p0 c0 {7,S} {11,S} {19,S} {20,S} +6 C u0 p0 c0 {8,S} {21,S} {22,S} {23,S} +7 C u0 p0 c0 {2,S} {5,S} {12,D} +8 C u0 p0 c0 {4,S} {6,S} {9,D} +9 C u0 p0 c0 {1,S} {8,D} {26,S} +10 C u0 p0 c0 {2,S} {11,D} {25,S} +11 C u0 p0 c0 {5,S} {10,D} {24,S} +12 C u0 p0 c0 {7,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {9,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C9H11R(270) +1 C u0 p0 c0 {2,S} {4,S} {5,S} {10,S} +2 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} +3 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {3,S} {8,D} +5 C u0 p0 c0 {1,S} {6,D} {16,S} +6 C u0 p0 c0 {3,S} {5,D} {15,S} +7 C u0 p0 c0 {2,S} {9,D} {17,S} +8 C u0 p0 c0 {4,D} {18,S} {19,S} +9 C u0 p0 c0 {7,D} {20,S} {21,S} +10 H u0 p0 c0 {1,S} +11 R u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} + +C11H14(271) +1 C u0 p0 c0 {2,S} {4,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +3 C u0 p0 c0 {4,S} {6,S} {16,S} {17,S} +4 C u0 p0 c0 {1,S} {3,S} {7,D} +5 C u0 p0 c0 {2,S} {9,D} {19,S} +6 C u0 p0 c0 {3,S} {8,D} {18,S} +7 C u0 p0 c0 {4,D} {8,S} {21,S} +8 C u0 p0 c0 {6,D} {7,S} {20,S} +9 C u0 p0 c0 {5,D} {10,S} {23,S} +10 C u0 p0 c0 {9,S} {11,D} {22,S} +11 C u0 p0 c0 {10,D} {24,S} {25,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {11,S} + +C9H12(272) +1 C u0 p0 c0 {2,S} {3,S} {5,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {7,S} {8,D} +5 C u0 p0 c0 {1,S} {7,D} {15,S} +6 C u0 p0 c0 {3,S} {9,D} {16,S} +7 C u0 p0 c0 {4,S} {5,D} {17,S} +8 C u0 p0 c0 {4,D} {18,S} {19,S} +9 C u0 p0 c0 {6,D} {20,S} {21,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} + +C12H16(273) +1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {13,S} +3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +4 C u0 p0 c0 {2,S} {7,S} {16,S} {17,S} +5 C u0 p0 c0 {3,S} {10,S} {18,S} {19,S} +6 C u0 p0 c0 {1,S} {20,S} {21,S} {22,S} +7 C u0 p0 c0 {4,S} {11,S} {12,D} +8 C u0 p0 c0 {1,S} {10,D} {25,S} +9 C u0 p0 c0 {2,S} {11,D} {23,S} +10 C u0 p0 c0 {5,S} {8,D} {24,S} +11 C u0 p0 c0 {7,S} {9,D} {26,S} +12 C u0 p0 c0 {7,D} {27,S} {28,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C11H14(274) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {12,S} +3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +4 C u0 p0 c0 {2,S} {6,S} {16,S} {17,S} +5 C u0 p0 c0 {3,S} {9,S} {18,S} {19,S} +6 C u0 p0 c0 {4,S} {10,S} {11,D} +7 C u0 p0 c0 {1,S} {9,D} {22,S} +8 C u0 p0 c0 {2,S} {10,D} {20,S} +9 C u0 p0 c0 {5,S} {7,D} {21,S} +10 C u0 p0 c0 {6,S} {8,D} {23,S} +11 C u0 p0 c0 {6,D} {24,S} {25,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {11,S} + +C9H12(275) +1 C u0 p0 c0 {2,S} {4,S} {5,S} {10,S} +2 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} +3 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {3,S} {8,D} +5 C u0 p0 c0 {1,S} {6,D} {16,S} +6 C u0 p0 c0 {3,S} {5,D} {15,S} +7 C u0 p0 c0 {2,S} {9,D} {17,S} +8 C u0 p0 c0 {4,D} {18,S} {19,S} +9 C u0 p0 c0 {7,D} {20,S} {21,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} + +C11H14(276) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {12,S} +2 C u0 p0 c0 {1,S} {6,S} {8,S} {13,S} +3 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} +4 C u0 p0 c0 {3,S} {9,S} {16,S} {17,S} +5 C u0 p0 c0 {6,S} {10,S} {18,S} {19,S} +6 C u0 p0 c0 {2,S} {5,S} {11,D} +7 C u0 p0 c0 {1,S} {9,D} {23,S} +8 C u0 p0 c0 {2,S} {10,D} {21,S} +9 C u0 p0 c0 {4,S} {7,D} {22,S} +10 C u0 p0 c0 {5,S} {8,D} {20,S} +11 C u0 p0 c0 {6,D} {24,S} {25,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {11,S} + +C12H14(277) +1 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} +3 C u0 p0 c0 {5,S} {7,S} {17,S} {18,S} +4 C u0 p0 c0 {6,S} {8,S} {19,S} {20,S} +5 C u0 p0 c0 {1,S} {3,S} {9,D} +6 C u0 p0 c0 {2,S} {4,S} {10,D} +7 C u0 p0 c0 {3,S} {11,D} {21,S} +8 C u0 p0 c0 {4,S} {12,D} {22,S} +9 C u0 p0 c0 {5,D} {11,S} {24,S} +10 C u0 p0 c0 {6,D} {12,S} {26,S} +11 C u0 p0 c0 {7,D} {9,S} {23,S} +12 C u0 p0 c0 {8,D} {10,S} {25,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {10,S} + +C11H14(278) +1 C u0 p0 c0 {2,S} {3,S} {5,S} {12,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {13,S} +3 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} +4 C u0 p0 c0 {3,S} {8,S} {9,D} +5 C u0 p0 c0 {1,S} {8,D} {18,S} +6 C u0 p0 c0 {2,S} {10,D} {16,S} +7 C u0 p0 c0 {2,S} {11,D} {17,S} +8 C u0 p0 c0 {4,S} {5,D} {19,S} +9 C u0 p0 c0 {4,D} {24,S} {25,S} +10 C u0 p0 c0 {6,D} {20,S} {21,S} +11 C u0 p0 c0 {7,D} {22,S} {23,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {9,S} + +C11H14(279) +1 C u0 p0 c0 {2,S} {4,S} {5,S} {12,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {13,S} +3 C u0 p0 c0 {4,S} {6,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {3,S} {9,D} +5 C u0 p0 c0 {1,S} {6,D} {17,S} +6 C u0 p0 c0 {3,S} {5,D} {16,S} +7 C u0 p0 c0 {2,S} {10,D} {18,S} +8 C u0 p0 c0 {2,S} {11,D} {19,S} +9 C u0 p0 c0 {4,D} {20,S} {21,S} +10 C u0 p0 c0 {7,D} {22,S} {23,S} +11 C u0 p0 c0 {8,D} {24,S} {25,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {11,S} + +C12H16(280) +1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} +2 C u0 p0 c0 {1,S} {7,S} {9,S} {13,S} +3 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} +4 C u0 p0 c0 {3,S} {10,S} {16,S} {17,S} +5 C u0 p0 c0 {7,S} {11,S} {18,S} {19,S} +6 C u0 p0 c0 {1,S} {20,S} {21,S} {22,S} +7 C u0 p0 c0 {2,S} {5,S} {12,D} +8 C u0 p0 c0 {1,S} {10,D} {26,S} +9 C u0 p0 c0 {2,S} {11,D} {24,S} +10 C u0 p0 c0 {4,S} {8,D} {25,S} +11 C u0 p0 c0 {5,S} {9,D} {23,S} +12 C u0 p0 c0 {7,D} {27,S} {28,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C13H20R(281) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {7,S} {14,S} +2 C u0 p0 c0 {1,S} {9,S} {17,S} {18,S} +3 C u0 p0 c0 {4,S} {9,S} {19,S} {20,S} +4 C u0 p0 c0 {3,S} {10,S} {15,S} {16,S} +5 C u0 p0 c0 {10,S} {11,S} {21,S} {22,S} +6 C u0 p0 c0 {1,S} {23,S} {24,S} {25,S} +7 C u0 p0 c0 {1,S} {26,S} {27,S} {28,S} +8 C u0 p0 c0 {9,S} {29,S} {30,S} {31,S} +9 C u1 p0 c0 {2,S} {3,S} {8,S} +10 C u0 p0 c0 {4,S} {5,S} {12,D} +11 C u0 p0 c0 {5,S} {13,D} {32,S} +12 C u0 p0 c0 {10,D} {13,S} {34,S} +13 C u0 p0 c0 {11,D} {12,S} {33,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {2,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {6,S} +26 R u0 p0 c0 {7,S} +27 H u0 p0 c0 {7,S} +28 H u0 p0 c0 {7,S} +29 H u0 p0 c0 {8,S} +30 H u0 p0 c0 {8,S} +31 H u0 p0 c0 {8,S} +32 H u0 p0 c0 {11,S} +33 H u0 p0 c0 {13,S} +34 H u0 p0 c0 {12,S} + +C10H12L(282) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +4 C u0 p0 c0 {2,S} {7,S} {9,D} +5 C u0 p0 c0 {1,S} {7,D} {16,S} +6 C u1 p0 c0 {3,S} {8,S} {17,S} +7 C u0 p0 c0 {4,S} {5,D} {18,S} +8 C u0 p0 c0 {6,S} {10,D} {19,S} +9 C u0 p0 c0 {4,D} {20,S} {21,S} +10 C u0 p0 c0 {8,D} {22,S} {23,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} +22 L u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} + +C12H15(283) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {9,S} {14,S} +3 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} +4 C u0 p0 c0 {6,S} {10,S} {17,S} {18,S} +5 C u0 p0 c0 {7,S} {19,S} {20,S} {21,S} +6 C u0 p0 c0 {2,S} {4,S} {12,D} +7 C u0 p0 c0 {3,S} {5,S} {11,D} +8 C u1 p0 c0 {1,S} {11,S} {24,S} +9 C u0 p0 c0 {2,S} {10,D} {23,S} +10 C u0 p0 c0 {4,S} {9,D} {22,S} +11 C u0 p0 c0 {7,D} {8,S} {25,S} +12 C u0 p0 c0 {6,D} {26,S} {27,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {12,S} + +C11H12(284) +1 C u0 p0 c0 {2,S} {3,S} {5,S} {12,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {13,S} +3 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} +4 C u0 p0 c0 {3,S} {8,S} {11,D} +5 C u0 p0 c0 {1,S} {8,D} {16,S} +6 C u0 p0 c0 {2,S} {9,D} {17,S} +7 C u0 p0 c0 {2,S} {10,D} {18,S} +8 C u0 p0 c0 {4,S} {5,D} {19,S} +9 C u0 p0 c0 {6,D} {10,S} {20,S} +10 C u0 p0 c0 {7,D} {9,S} {21,S} +11 C u0 p0 c0 {4,D} {22,S} {23,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {11,S} + +C6H9R(285) +1 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +2 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {5,S} {6,D} +4 C u0 p0 c0 {2,S} {5,D} {13,S} +5 C u0 p0 c0 {3,S} {4,D} {14,S} +6 C u0 p0 c0 {3,D} {15,S} {16,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 R u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} + +C7H12R(286) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} +4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} +5 C u1 p0 c0 {1,S} {3,S} {7,S} +6 C u0 p0 c0 {4,S} {7,D} {19,S} +7 C u0 p0 c0 {5,S} {6,D} {20,S} +8 R u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} + +C6H8R(287) +multiplicity 2 +1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {3,S} {5,D} +3 C u0 p0 c0 {2,S} {4,D} {10,S} +4 C u0 p0 c0 {3,D} {6,S} {11,S} +5 C u0 p0 c0 {2,D} {12,S} {13,S} +6 C u1 p0 c0 {4,S} {14,S} {15,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 R u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} + +C6H8R(288) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} +4 C u1 p0 c0 {1,S} {3,S} {6,S} +5 C u0 p0 c0 {2,S} {6,D} {14,S} +6 C u0 p0 c0 {4,S} {5,D} {15,S} +7 H u0 p0 c0 {1,S} +8 R u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} + +C10H13LR(289) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +3 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} +4 C u0 p0 c0 {3,S} {7,S} {9,D} +5 C u0 p0 c0 {1,S} {7,D} {18,S} +6 C u1 p0 c0 {2,S} {8,S} {19,S} +7 C u0 p0 c0 {4,S} {5,D} {20,S} +8 C u0 p0 c0 {6,S} {10,D} {21,S} +9 C u0 p0 c0 {4,D} {22,S} {23,S} +10 C u0 p0 c0 {8,D} {24,S} {25,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} +23 R u0 p0 c0 {9,S} +24 L u0 p0 c0 {10,S} +25 H u0 p0 c0 {10,S} + +C6H8(290) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,S} {6,D} +4 C u0 p0 c0 {2,S} {5,D} {11,S} +5 C u0 p0 c0 {3,S} {4,D} {12,S} +6 C u0 p0 c0 {3,D} {13,S} {14,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} + +C8H12R(291) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {9,S} +2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} +3 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {3,S} {7,D} +5 C u0 p0 c0 {1,S} {8,D} {15,S} +6 C u1 p0 c0 {2,S} {16,S} {17,S} +7 C u0 p0 c0 {4,D} {18,S} {19,S} +8 C u0 p0 c0 {5,D} {20,S} {21,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 R u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {8,S} + +C10H12L(292) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +3 C u0 p0 c0 {4,S} {6,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {3,S} {7,D} +5 C u1 p0 c0 {2,S} {9,S} {18,S} +6 C u0 p0 c0 {3,S} {8,D} {17,S} +7 C u0 p0 c0 {4,D} {8,S} {20,S} +8 C u0 p0 c0 {6,D} {7,S} {19,S} +9 C u0 p0 c0 {5,S} {10,D} {21,S} +10 C u0 p0 c0 {9,D} {22,S} {23,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 L u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} + +C9H12L(293) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} +5 C u0 p0 c0 {2,S} {8,S} {9,D} +6 C u1 p0 c0 {3,S} {4,S} {18,S} +7 C u0 p0 c0 {1,S} {8,D} {19,S} +8 C u0 p0 c0 {5,S} {7,D} {20,S} +9 C u0 p0 c0 {5,D} {21,S} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 L u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} + +C12H18L(294) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {6,S} {11,S} {13,S} +3 C u0 p0 c0 {1,S} {5,S} {16,S} {17,S} +4 C u0 p0 c0 {1,S} {7,S} {18,S} {19,S} +5 C u0 p0 c0 {3,S} {9,S} {14,S} {15,S} +6 C u0 p0 c0 {2,S} {10,S} {22,S} {23,S} +7 C u0 p0 c0 {4,S} {10,S} {20,S} {21,S} +8 C u0 p0 c0 {1,S} {27,S} {28,S} {29,S} +9 C u0 p0 c0 {5,S} {24,S} {25,S} {26,S} +10 C u0 p0 c0 {6,S} {7,S} {12,D} +11 C u1 p0 c0 {2,S} {12,S} {30,S} +12 C u0 p0 c0 {10,D} {11,S} {31,S} +13 H u0 p0 c0 {2,S} +14 L u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {9,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {8,S} +30 H u0 p0 c0 {11,S} +31 H u0 p0 c0 {12,S} + +C11H15LR(295) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {14,S} {15,S} +2 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} +3 C u0 p0 c0 {5,S} {19,S} {20,S} {21,S} +4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} +5 C u1 p0 c0 {1,S} {3,S} {9,S} +6 C u0 p0 c0 {4,S} {8,S} {10,D} +7 C u0 p0 c0 {2,S} {8,D} {22,S} +8 C u0 p0 c0 {6,S} {7,D} {23,S} +9 C u0 p0 c0 {5,S} {11,D} {24,S} +10 C u0 p0 c0 {6,D} {25,S} {26,S} +11 C u0 p0 c0 {9,D} {27,S} {28,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {3,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {10,S} +26 R u0 p0 c0 {10,S} +27 L u0 p0 c0 {11,S} +28 H u0 p0 c0 {11,S} + +C12H15R(296) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {6,S} {16,S} {17,S} +4 C u0 p0 c0 {5,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {2,S} {4,S} {8,D} +6 C u0 p0 c0 {3,S} {9,S} {11,D} +7 C u0 p0 c0 {1,S} {9,D} {21,S} +8 C u0 p0 c0 {5,D} {10,S} {22,S} +9 C u0 p0 c0 {6,S} {7,D} {24,S} +10 C u0 p0 c0 {8,S} {12,D} {23,S} +11 C u0 p0 c0 {6,D} {27,S} {28,S} +12 C u0 p0 c0 {10,D} {25,S} {26,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 R u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {11,S} +28 H u0 p0 c0 {11,S} + +C11H14L(297) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {15,S} {16,S} +3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} +5 C u1 p0 c0 {2,S} {4,S} {9,S} +6 C u0 p0 c0 {3,S} {8,S} {10,D} +7 C u0 p0 c0 {1,S} {8,D} {20,S} +8 C u0 p0 c0 {6,S} {7,D} {21,S} +9 C u0 p0 c0 {5,S} {11,D} {22,S} +10 C u0 p0 c0 {6,D} {23,S} {24,S} +11 C u0 p0 c0 {9,D} {25,S} {26,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {10,S} +25 L u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} + +C11H13(298) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {7,S} {13,S} +3 C u0 p0 c0 {1,S} {9,S} {14,S} {15,S} +4 C u0 p0 c0 {5,S} {8,S} {16,S} {17,S} +5 C u0 p0 c0 {2,S} {4,S} {11,D} +6 C u1 p0 c0 {1,S} {10,S} {21,S} +7 C u0 p0 c0 {2,S} {8,D} {19,S} +8 C u0 p0 c0 {4,S} {7,D} {18,S} +9 C u0 p0 c0 {3,S} {10,D} {20,S} +10 C u0 p0 c0 {6,S} {9,D} {22,S} +11 C u0 p0 c0 {5,D} {23,S} {24,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {11,S} + +C9H13LR(299) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {7,S} {10,S} {11,S} +3 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {3,S} {8,S} {9,D} +6 C u1 p0 c0 {1,S} {4,S} {20,S} +7 C u0 p0 c0 {2,S} {8,D} {21,S} +8 C u0 p0 c0 {5,S} {7,D} {22,S} +9 C u0 p0 c0 {5,D} {23,S} {24,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 L u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {9,S} +24 R u0 p0 c0 {9,S} + +C12H15R(300) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {5,S} {8,S} {14,S} +3 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} +4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {2,S} {4,S} {10,D} +6 C u0 p0 c0 {3,S} {9,S} {11,D} +7 C u0 p0 c0 {1,S} {9,D} {21,S} +8 C u0 p0 c0 {2,S} {12,D} {20,S} +9 C u0 p0 c0 {6,S} {7,D} {22,S} +10 C u0 p0 c0 {5,D} {23,S} {24,S} +11 C u0 p0 c0 {6,D} {27,S} {28,S} +12 C u0 p0 c0 {8,D} {25,S} {26,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {10,S} +24 R u0 p0 c0 {10,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {11,S} +28 H u0 p0 c0 {11,S} + +C12H15R(301) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {5,S} {16,S} {17,S} +3 C u0 p0 c0 {1,S} {8,S} {14,S} {15,S} +4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {2,S} {10,S} {12,D} +6 C u0 p0 c0 {4,S} {9,S} {11,D} +7 C u0 p0 c0 {1,S} {10,D} {22,S} +8 C u0 p0 c0 {3,S} {9,D} {21,S} +9 C u0 p0 c0 {6,S} {8,D} {23,S} +10 C u0 p0 c0 {5,S} {7,D} {24,S} +11 C u0 p0 c0 {6,D} {25,S} {26,S} +12 C u0 p0 c0 {5,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {11,S} +26 R u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C12H15R(302) +1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {8,S} {16,S} {17,S} +4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {1,S} {3,S} {11,D} +6 C u0 p0 c0 {2,S} {4,S} {9,D} +7 C u0 p0 c0 {1,S} {8,D} {22,S} +8 C u0 p0 c0 {3,S} {7,D} {21,S} +9 C u0 p0 c0 {6,D} {10,S} {23,S} +10 C u0 p0 c0 {9,S} {12,D} {24,S} +11 C u0 p0 c0 {5,D} {27,S} {28,S} +12 C u0 p0 c0 {10,D} {25,S} {26,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 R u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {11,S} +28 H u0 p0 c0 {11,S} + +C12H15R(303) +1 C u0 p0 c0 {2,S} {6,S} {8,S} {13,S} +2 C u0 p0 c0 {1,S} {5,S} {7,S} {14,S} +3 C u0 p0 c0 {5,S} {9,S} {15,S} {16,S} +4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {2,S} {3,S} {11,D} +6 C u0 p0 c0 {1,S} {4,S} {10,D} +7 C u0 p0 c0 {2,S} {9,D} {22,S} +8 C u0 p0 c0 {1,S} {12,D} {20,S} +9 C u0 p0 c0 {3,S} {7,D} {21,S} +10 C u0 p0 c0 {6,D} {23,S} {24,S} +11 C u0 p0 c0 {5,D} {27,S} {28,S} +12 C u0 p0 c0 {8,D} {25,S} {26,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {10,S} +24 R u0 p0 c0 {10,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {11,S} +28 H u0 p0 c0 {11,S} + +C12H15R(304) +1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {8,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {9,S} {16,S} {17,S} +4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {1,S} {3,S} {11,D} +6 C u0 p0 c0 {4,S} {10,S} {12,D} +7 C u0 p0 c0 {1,S} {9,D} {23,S} +8 C u0 p0 c0 {2,S} {10,D} {21,S} +9 C u0 p0 c0 {3,S} {7,D} {22,S} +10 C u0 p0 c0 {6,S} {8,D} {24,S} +11 C u0 p0 c0 {5,D} {27,S} {28,S} +12 C u0 p0 c0 {6,D} {25,S} {26,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {12,S} +26 R u0 p0 c0 {12,S} +27 H u0 p0 c0 {11,S} +28 H u0 p0 c0 {11,S} + +C12H16R2(305) +1 C u0 p0 c0 {2,S} {6,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} +4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} +5 C u0 p0 c0 {2,S} {3,S} {8,D} +6 C u0 p0 c0 {1,S} {4,S} {10,D} +7 C u0 p0 c0 {1,S} {11,D} {22,S} +8 C u0 p0 c0 {5,D} {9,S} {23,S} +9 C u0 p0 c0 {8,S} {12,D} {24,S} +10 C u0 p0 c0 {6,D} {27,S} {28,S} +11 C u0 p0 c0 {7,D} {29,S} {30,S} +12 C u0 p0 c0 {9,D} {25,S} {26,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 R u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {10,S} +28 R u0 p0 c0 {10,S} +29 H u0 p0 c0 {11,S} +30 H u0 p0 c0 {11,S} + +C12H15R(306) +1 C u0 p0 c0 {2,S} {3,S} {9,S} {13,S} +2 C u0 p0 c0 {1,S} {4,S} {10,S} {14,S} +3 C u0 p0 c0 {1,S} {5,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {8,S} {19,S} {20,S} +5 C u0 p0 c0 {3,S} {7,S} {17,S} {18,S} +6 C u0 p0 c0 {7,S} {21,S} {22,S} {23,S} +7 C u0 p0 c0 {5,S} {6,S} {9,D} +8 C u0 p0 c0 {4,S} {11,S} {12,D} +9 C u0 p0 c0 {1,S} {7,D} {24,S} +10 C u0 p0 c0 {2,S} {11,D} {25,S} +11 C u0 p0 c0 {8,S} {10,D} {26,S} +12 C u0 p0 c0 {8,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {5,S} +18 R u0 p0 c0 {5,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C10H12L(307) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {12,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {6,S} {17,S} {18,S} +5 C u0 p0 c0 {3,S} {6,S} {15,S} {16,S} +6 C u0 p0 c0 {4,S} {5,S} {9,D} +7 C u1 p0 c0 {2,S} {9,S} {19,S} +8 C u0 p0 c0 {1,S} {10,D} {20,S} +9 C u0 p0 c0 {6,D} {7,S} {21,S} +10 C u0 p0 c0 {8,D} {22,S} {23,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} +13 L u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} + +C12H16(308) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {14,S} +2 C u0 p0 c0 {1,S} {4,S} {10,S} {13,S} +3 C u0 p0 c0 {1,S} {5,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {8,S} {17,S} {18,S} +5 C u0 p0 c0 {3,S} {9,S} {19,S} {20,S} +6 C u0 p0 c0 {7,S} {21,S} {22,S} {23,S} +7 C u0 p0 c0 {1,S} {6,S} {9,D} +8 C u0 p0 c0 {4,S} {11,S} {12,D} +9 C u0 p0 c0 {5,S} {7,D} {25,S} +10 C u0 p0 c0 {2,S} {11,D} {24,S} +11 C u0 p0 c0 {8,S} {10,D} {26,S} +12 C u0 p0 c0 {8,D} {27,S} {28,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C12H16(309) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {8,S} {10,S} {14,S} +3 C u0 p0 c0 {1,S} {4,S} {15,S} {16,S} +4 C u0 p0 c0 {3,S} {9,S} {17,S} {18,S} +5 C u0 p0 c0 {8,S} {11,S} {19,S} {20,S} +6 C u0 p0 c0 {7,S} {21,S} {22,S} {23,S} +7 C u0 p0 c0 {1,S} {6,S} {9,D} +8 C u0 p0 c0 {2,S} {5,S} {12,D} +9 C u0 p0 c0 {4,S} {7,D} {26,S} +10 C u0 p0 c0 {2,S} {11,D} {25,S} +11 C u0 p0 c0 {5,S} {10,D} {24,S} +12 C u0 p0 c0 {8,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {9,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C13H20R(310) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} +2 C u0 p0 c0 {4,S} {9,S} {10,S} {14,S} +3 C u0 p0 c0 {1,S} {6,S} {12,S} {15,S} +4 C u0 p0 c0 {1,S} {2,S} {16,S} {17,S} +5 C u0 p0 c0 {1,S} {7,S} {18,S} {19,S} +6 C u0 p0 c0 {3,S} {11,S} {22,S} {23,S} +7 C u0 p0 c0 {5,S} {11,S} {20,S} {21,S} +8 C u0 p0 c0 {1,S} {30,S} {31,S} {32,S} +9 C u0 p0 c0 {2,S} {24,S} {25,S} {26,S} +10 C u0 p0 c0 {2,S} {27,S} {28,S} {29,S} +11 C u0 p0 c0 {6,S} {7,S} {13,D} +12 C u1 p0 c0 {3,S} {13,S} {33,S} +13 C u0 p0 c0 {11,D} {12,S} {34,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {9,S} +27 R u0 p0 c0 {10,S} +28 H u0 p0 c0 {10,S} +29 H u0 p0 c0 {10,S} +30 H u0 p0 c0 {8,S} +31 H u0 p0 c0 {8,S} +32 H u0 p0 c0 {8,S} +33 H u0 p0 c0 {12,S} +34 H u0 p0 c0 {13,S} + +C9H13(311) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {5,S} {7,S} {14,S} {15,S} +4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {1,S} {3,S} {8,D} +6 C u1 p0 c0 {2,S} {4,S} {19,S} +7 C u0 p0 c0 {3,S} {9,D} {20,S} +8 C u0 p0 c0 {5,D} {9,S} {22,S} +9 C u0 p0 c0 {7,D} {8,S} {21,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {8,S} + +C9H13(312) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {7,S} {16,S} {17,S} +5 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} +6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +7 C u1 p0 c0 {4,S} {5,S} {9,S} +8 C u0 p0 c0 {2,S} {9,D} {21,S} +9 C u0 p0 c0 {7,S} {8,D} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} + +C9H13(313) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {10,S} +2 C u0 p0 c0 {1,S} {8,S} {9,S} {11,S} +3 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +4 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} +5 C u0 p0 c0 {7,S} {8,S} {16,S} {17,S} +6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +7 C u0 p0 c0 {4,S} {5,S} {9,D} +8 C u1 p0 c0 {2,S} {5,S} {21,S} +9 C u0 p0 c0 {2,S} {7,D} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} + +C9H12L(314) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {10,S} +2 C u0 p0 c0 {1,S} {8,S} {9,S} {11,S} +3 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +4 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} +5 C u0 p0 c0 {7,S} {8,S} {16,S} {17,S} +6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +7 C u0 p0 c0 {4,S} {5,S} {9,D} +8 C u1 p0 c0 {2,S} {5,S} {21,S} +9 C u0 p0 c0 {2,S} {7,D} {22,S} +10 L u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} + +C12H16R2(315) +1 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} +3 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} +4 C u0 p0 c0 {6,S} {20,S} {21,S} {22,S} +5 C u0 p0 c0 {1,S} {3,S} {8,D} +6 C u0 p0 c0 {4,S} {9,S} {11,D} +7 C u0 p0 c0 {2,S} {9,D} {23,S} +8 C u0 p0 c0 {5,D} {10,S} {24,S} +9 C u0 p0 c0 {6,S} {7,D} {26,S} +10 C u0 p0 c0 {8,S} {12,D} {25,S} +11 C u0 p0 c0 {6,D} {29,S} {30,S} +12 C u0 p0 c0 {10,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 R u0 p0 c0 {1,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {9,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} +29 H u0 p0 c0 {11,S} +30 R u0 p0 c0 {11,S} + +C10H14R(316) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} +4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} +6 C u1 p0 c0 {2,S} {4,S} {5,S} +7 C u0 p0 c0 {3,S} {9,S} {10,D} +8 C u0 p0 c0 {1,S} {9,D} {22,S} +9 C u0 p0 c0 {7,S} {8,D} {23,S} +10 C u0 p0 c0 {7,D} {24,S} {25,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 R u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {10,S} + +C12H15R(317) +1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {13,S} +3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +4 C u0 p0 c0 {2,S} {7,S} {18,S} {19,S} +5 C u0 p0 c0 {3,S} {10,S} {16,S} {17,S} +6 C u0 p0 c0 {1,S} {20,S} {21,S} {22,S} +7 C u0 p0 c0 {4,S} {11,S} {12,D} +8 C u0 p0 c0 {1,S} {10,D} {24,S} +9 C u0 p0 c0 {2,S} {11,D} {25,S} +10 C u0 p0 c0 {5,S} {8,D} {23,S} +11 C u0 p0 c0 {7,S} {9,D} {26,S} +12 C u0 p0 c0 {7,D} {27,S} {28,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 R u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C10H15R2(318) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {8,S} {11,S} {12,S} +3 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +4 C u0 p0 c0 {6,S} {21,S} {22,S} {23,S} +5 C u0 p0 c0 {7,S} {15,S} {16,S} {17,S} +6 C u1 p0 c0 {1,S} {3,S} {4,S} +7 C u0 p0 c0 {5,S} {9,S} {10,D} +8 C u0 p0 c0 {2,S} {9,D} {24,S} +9 C u0 p0 c0 {7,S} {8,D} {25,S} +10 C u0 p0 c0 {7,D} {26,S} {27,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 R u0 p0 c0 {4,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {4,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {10,S} +27 R u0 p0 c0 {10,S} + +C12H16R2(319) +1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {8,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} +4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} +5 C u0 p0 c0 {1,S} {3,S} {10,D} +6 C u0 p0 c0 {4,S} {9,S} {11,D} +7 C u0 p0 c0 {1,S} {12,D} {22,S} +8 C u0 p0 c0 {2,S} {9,D} {23,S} +9 C u0 p0 c0 {6,S} {8,D} {24,S} +10 C u0 p0 c0 {5,D} {25,S} {26,S} +11 C u0 p0 c0 {6,D} {29,S} {30,S} +12 C u0 p0 c0 {7,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {10,S} +26 R u0 p0 c0 {10,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} +29 H u0 p0 c0 {11,S} +30 R u0 p0 c0 {11,S} + +C12H15R(320) +1 C u0 p0 c0 {2,S} {3,S} {9,S} {13,S} +2 C u0 p0 c0 {1,S} {7,S} {10,S} {14,S} +3 C u0 p0 c0 {1,S} {4,S} {15,S} {16,S} +4 C u0 p0 c0 {3,S} {8,S} {17,S} {18,S} +5 C u0 p0 c0 {7,S} {11,S} {19,S} {20,S} +6 C u0 p0 c0 {8,S} {21,S} {22,S} {23,S} +7 C u0 p0 c0 {2,S} {5,S} {12,D} +8 C u0 p0 c0 {4,S} {6,S} {9,D} +9 C u0 p0 c0 {1,S} {8,D} {24,S} +10 C u0 p0 c0 {2,S} {11,D} {26,S} +11 C u0 p0 c0 {5,S} {10,D} {25,S} +12 C u0 p0 c0 {7,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 R u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C12H15R(321) +1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} +2 C u0 p0 c0 {1,S} {7,S} {9,S} {13,S} +3 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} +4 C u0 p0 c0 {3,S} {10,S} {16,S} {17,S} +5 C u0 p0 c0 {7,S} {11,S} {18,S} {19,S} +6 C u0 p0 c0 {1,S} {20,S} {21,S} {22,S} +7 C u0 p0 c0 {2,S} {5,S} {12,D} +8 C u0 p0 c0 {1,S} {10,D} {24,S} +9 C u0 p0 c0 {2,S} {11,D} {26,S} +10 C u0 p0 c0 {4,S} {8,D} {23,S} +11 C u0 p0 c0 {5,S} {9,D} {25,S} +12 C u0 p0 c0 {7,D} {27,S} {28,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 R u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {9,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C12H15R(322) +1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {5,S} {15,S} {16,S} +3 C u0 p0 c0 {5,S} {7,S} {17,S} {18,S} +4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} +5 C u0 p0 c0 {2,S} {3,S} {9,D} +6 C u0 p0 c0 {1,S} {4,S} {8,D} +7 C u0 p0 c0 {3,S} {10,D} {22,S} +8 C u0 p0 c0 {6,D} {11,S} {23,S} +9 C u0 p0 c0 {5,D} {10,S} {26,S} +10 C u0 p0 c0 {7,D} {9,S} {25,S} +11 C u0 p0 c0 {8,S} {12,D} {24,S} +12 C u0 p0 c0 {11,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 R u0 p0 c0 {1,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {9,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C12H15(323) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {9,S} {14,S} +3 C u0 p0 c0 {1,S} {10,S} {15,S} {16,S} +4 C u0 p0 c0 {6,S} {11,S} {17,S} {18,S} +5 C u0 p0 c0 {7,S} {19,S} {20,S} {21,S} +6 C u0 p0 c0 {2,S} {4,S} {12,D} +7 C u0 p0 c0 {5,S} {8,S} {10,D} +8 C u1 p0 c0 {1,S} {7,S} {25,S} +9 C u0 p0 c0 {2,S} {11,D} {23,S} +10 C u0 p0 c0 {3,S} {7,D} {24,S} +11 C u0 p0 c0 {4,S} {9,D} {22,S} +12 C u0 p0 c0 {6,D} {26,S} {27,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {12,S} + +C10H12R(324) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +3 C u0 p0 c0 {4,S} {6,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {3,S} {7,D} +5 C u1 p0 c0 {2,S} {9,S} {18,S} +6 C u0 p0 c0 {3,S} {8,D} {17,S} +7 C u0 p0 c0 {4,D} {8,S} {20,S} +8 C u0 p0 c0 {6,D} {7,S} {19,S} +9 C u0 p0 c0 {5,S} {10,D} {21,S} +10 C u0 p0 c0 {9,D} {22,S} {23,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {9,S} +22 R u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} + +C6H11L(325) +1 C u0 p0 c0 {2,S} {3,S} {5,S} {7,S} +2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +4 C u0 p0 c0 {6,S} {14,S} {15,S} {16,S} +5 C u0 p0 c0 {1,S} {6,D} {18,S} +6 C u0 p0 c0 {4,S} {5,D} {17,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 L u0 p0 c0 {6,S} +18 H u0 p0 c0 {5,S} + +C11H14L(326) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {8,S} {16,S} {17,S} +4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {1,S} {3,S} {9,D} +6 C u0 p0 c0 {4,S} {7,S} {11,D} +7 C u1 p0 c0 {2,S} {6,S} {22,S} +8 C u0 p0 c0 {3,S} {10,D} {21,S} +9 C u0 p0 c0 {5,D} {10,S} {24,S} +10 C u0 p0 c0 {8,D} {9,S} {23,S} +11 C u0 p0 c0 {6,D} {25,S} {26,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 L u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} + +C11H14L(327) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {13,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {12,S} +3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +4 C u0 p0 c0 {2,S} {7,S} {18,S} {19,S} +5 C u0 p0 c0 {3,S} {7,S} {16,S} {17,S} +6 C u0 p0 c0 {8,S} {20,S} {21,S} {22,S} +7 C u0 p0 c0 {4,S} {5,S} {10,D} +8 C u0 p0 c0 {1,S} {6,S} {11,D} +9 C u1 p0 c0 {2,S} {10,S} {23,S} +10 C u0 p0 c0 {7,D} {9,S} {24,S} +11 C u0 p0 c0 {8,D} {25,S} {26,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {1,S} +14 L u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} + +C8H10L(328) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {6,S} {8,D} +5 C u0 p0 c0 {1,S} {6,D} {14,S} +6 C u0 p0 c0 {4,S} {5,D} {15,S} +7 C u1 p0 c0 {3,S} {16,S} {17,S} +8 C u0 p0 c0 {4,D} {18,S} {19,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 L u0 p0 c0 {7,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {8,S} + +C11H12(329) +1 C u0 p0 c0 {2,S} {4,S} {5,S} {12,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {13,S} +3 C u0 p0 c0 {4,S} {8,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {3,S} {11,D} +5 C u0 p0 c0 {1,S} {8,D} {17,S} +6 C u0 p0 c0 {2,S} {9,D} {18,S} +7 C u0 p0 c0 {2,S} {10,D} {19,S} +8 C u0 p0 c0 {3,S} {5,D} {16,S} +9 C u0 p0 c0 {6,D} {10,S} {20,S} +10 C u0 p0 c0 {7,D} {9,S} {21,S} +11 C u0 p0 c0 {4,D} {22,S} {23,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {11,S} + +C7H13R(330) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} +5 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +6 C u0 p0 c0 {4,S} {5,S} {7,D} +7 C u0 p0 c0 {1,S} {6,D} {21,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 R u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {7,S} + +C11H14(331) +1 C u0 p0 c0 {2,S} {5,S} {6,S} {12,S} +2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +3 C u0 p0 c0 {4,S} {7,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {3,S} {8,D} +5 C u0 p0 c0 {1,S} {10,D} {18,S} +6 C u0 p0 c0 {1,S} {11,D} {19,S} +7 C u0 p0 c0 {3,S} {9,D} {17,S} +8 C u0 p0 c0 {4,D} {9,S} {21,S} +9 C u0 p0 c0 {7,D} {8,S} {20,S} +10 C u0 p0 c0 {5,D} {22,S} {23,S} +11 C u0 p0 c0 {6,D} {24,S} {25,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {11,S} + +C9H14L(332) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {8,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {9,S} {13,S} {14,S} +5 C u0 p0 c0 {7,S} {17,S} {18,S} {19,S} +6 C u0 p0 c0 {8,S} {20,S} {21,S} {22,S} +7 C u0 p0 c0 {1,S} {5,S} {9,D} +8 C u1 p0 c0 {3,S} {6,S} {23,S} +9 C u0 p0 c0 {4,S} {7,D} {24,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 L u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} + +C10H12R(333) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {12,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {6,S} {17,S} {18,S} +5 C u0 p0 c0 {3,S} {6,S} {15,S} {16,S} +6 C u0 p0 c0 {4,S} {5,S} {9,D} +7 C u1 p0 c0 {2,S} {9,S} {19,S} +8 C u0 p0 c0 {1,S} {10,D} {20,S} +9 C u0 p0 c0 {6,D} {7,S} {21,S} +10 C u0 p0 c0 {8,D} {22,S} {23,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {9,S} +22 R u0 p0 c0 {10,S} +23 H u0 p0 c0 {10,S} + +C12H15R(334) +1 C u0 p0 c0 {2,S} {6,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {8,S} {16,S} {17,S} +4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {2,S} {3,S} {9,D} +6 C u0 p0 c0 {1,S} {4,S} {11,D} +7 C u0 p0 c0 {1,S} {12,D} {21,S} +8 C u0 p0 c0 {3,S} {10,D} {22,S} +9 C u0 p0 c0 {5,D} {10,S} {24,S} +10 C u0 p0 c0 {8,D} {9,S} {23,S} +11 C u0 p0 c0 {6,D} {25,S} {26,S} +12 C u0 p0 c0 {7,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {11,S} +26 R u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C12H16(335) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {5,S} {16,S} {17,S} +3 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +4 C u0 p0 c0 {5,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {2,S} {4,S} {9,D} +6 C u0 p0 c0 {3,S} {8,S} {11,D} +7 C u0 p0 c0 {1,S} {8,D} {21,S} +8 C u0 p0 c0 {6,S} {7,D} {22,S} +9 C u0 p0 c0 {5,D} {10,S} {23,S} +10 C u0 p0 c0 {9,S} {12,D} {24,S} +11 C u0 p0 c0 {6,D} {25,S} {26,S} +12 C u0 p0 c0 {10,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C12H15R(336) +1 C u0 p0 c0 {2,S} {5,S} {15,S} {16,S} +2 C u0 p0 c0 {1,S} {7,S} {13,S} {14,S} +3 C u0 p0 c0 {5,S} {8,S} {17,S} {18,S} +4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} +5 C u0 p0 c0 {1,S} {3,S} {10,D} +6 C u0 p0 c0 {4,S} {9,S} {12,D} +7 C u0 p0 c0 {2,S} {9,D} {22,S} +8 C u0 p0 c0 {3,S} {11,D} {23,S} +9 C u0 p0 c0 {6,S} {7,D} {24,S} +10 C u0 p0 c0 {5,D} {11,S} {26,S} +11 C u0 p0 c0 {8,D} {10,S} {25,S} +12 C u0 p0 c0 {6,D} {27,S} {28,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {12,S} +28 R u0 p0 c0 {12,S} + +C12H15(337) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {13,S} +2 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {8,S} {16,S} {17,S} +4 C u0 p0 c0 {7,S} {9,S} {18,S} {19,S} +5 C u0 p0 c0 {6,S} {20,S} {21,S} {22,S} +6 C u0 p0 c0 {1,S} {5,S} {10,D} +7 C u0 p0 c0 {2,S} {4,S} {11,D} +8 C u1 p0 c0 {3,S} {10,S} {24,S} +9 C u0 p0 c0 {4,S} {12,D} {23,S} +10 C u0 p0 c0 {6,D} {8,S} {27,S} +11 C u0 p0 c0 {7,D} {12,S} {26,S} +12 C u0 p0 c0 {9,D} {11,S} {25,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {10,S} + +C9H13R(338) +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {4,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {3,S} {6,D} +5 C u0 p0 c0 {2,S} {8,D} {17,S} +6 C u0 p0 c0 {4,D} {7,S} {18,S} +7 C u0 p0 c0 {6,S} {9,D} {19,S} +8 C u0 p0 c0 {5,D} {22,S} {23,S} +9 C u0 p0 c0 {7,D} {20,S} {21,S} +10 H u0 p0 c0 {1,S} +11 R u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {8,S} + +[CH2]C(C)C(399) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u1 p0 c0 {1,S} {12,S} {13,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} + +CC(C)C(29484) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} + +C11H17(10750) +multiplicity 2 +1 C u0 p0 c0 {2,S} {7,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} +4 C u0 p0 c0 {8,S} {19,S} {20,S} {21,S} +5 C u0 p0 c0 {3,S} {9,S} {11,D} +6 C u1 p0 c0 {2,S} {10,S} {24,S} +7 C u0 p0 c0 {1,S} {9,D} {22,S} +8 C u0 p0 c0 {4,S} {10,D} {23,S} +9 C u0 p0 c0 {5,S} {7,D} {25,S} +10 C u0 p0 c0 {6,S} {8,D} {26,S} +11 C u0 p0 c0 {5,D} {27,S} {28,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {11,S} +28 H u0 p0 c0 {11,S} + +C9H11R(18276) +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {4,S} {5,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {3,S} {7,D} +5 C u0 p0 c0 {3,S} {8,D} {16,S} +6 C u0 p0 c0 {2,S} {9,D} {17,S} +7 C u0 p0 c0 {4,D} {8,S} {19,S} +8 C u0 p0 c0 {5,D} {7,S} {18,S} +9 C u0 p0 c0 {6,D} {20,S} {21,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {7,S} +20 R u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} + +C9H13R(24328) +1 C u0 p0 c0 {2,S} {4,S} {5,S} {10,S} +2 C u0 p0 c0 {1,S} {6,S} {11,S} {12,S} +3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {3,S} {7,D} +5 C u0 p0 c0 {1,S} {8,D} {16,S} +6 C u0 p0 c0 {2,S} {9,D} {17,S} +7 C u0 p0 c0 {4,D} {18,S} {19,S} +8 C u0 p0 c0 {5,D} {20,S} {21,S} +9 C u0 p0 c0 {6,D} {22,S} {23,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 R u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {9,S} + +C12H16(18381) +1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {8,S} {16,S} {17,S} +4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {1,S} {3,S} {11,D} +6 C u0 p0 c0 {2,S} {4,S} {9,D} +7 C u0 p0 c0 {1,S} {8,D} {22,S} +8 C u0 p0 c0 {3,S} {7,D} {21,S} +9 C u0 p0 c0 {6,D} {10,S} {23,S} +10 C u0 p0 c0 {9,S} {12,D} {24,S} +11 C u0 p0 c0 {5,D} {25,S} {26,S} +12 C u0 p0 c0 {10,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C9H12(18323) +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {4,S} {5,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {3,S} {7,D} +5 C u0 p0 c0 {3,S} {8,D} {16,S} +6 C u0 p0 c0 {2,S} {9,D} {17,S} +7 C u0 p0 c0 {4,D} {8,S} {19,S} +8 C u0 p0 c0 {5,D} {7,S} {18,S} +9 C u0 p0 c0 {6,D} {20,S} {21,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} + +C12H16(18379) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {5,S} {8,S} {14,S} +3 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} +4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {2,S} {4,S} {10,D} +6 C u0 p0 c0 {3,S} {9,S} {11,D} +7 C u0 p0 c0 {1,S} {9,D} {20,S} +8 C u0 p0 c0 {2,S} {12,D} {21,S} +9 C u0 p0 c0 {6,S} {7,D} {22,S} +10 C u0 p0 c0 {5,D} {25,S} {26,S} +11 C u0 p0 c0 {6,D} {23,S} {24,S} +12 C u0 p0 c0 {8,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C12H16(18378) +1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {9,S} {14,S} +3 C u0 p0 c0 {5,S} {8,S} {15,S} {16,S} +4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {1,S} {3,S} {10,D} +6 C u0 p0 c0 {2,S} {4,S} {11,D} +7 C u0 p0 c0 {1,S} {8,D} {21,S} +8 C u0 p0 c0 {3,S} {7,D} {20,S} +9 C u0 p0 c0 {2,S} {12,D} {22,S} +10 C u0 p0 c0 {5,D} {23,S} {24,S} +11 C u0 p0 c0 {6,D} {25,S} {26,S} +12 C u0 p0 c0 {9,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C12H16(18376) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {8,S} {16,S} {17,S} +4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {2,S} {9,S} {11,D} +6 C u0 p0 c0 {4,S} {10,S} {12,D} +7 C u0 p0 c0 {1,S} {9,D} {21,S} +8 C u0 p0 c0 {3,S} {10,D} {22,S} +9 C u0 p0 c0 {5,S} {7,D} {23,S} +10 C u0 p0 c0 {6,S} {8,D} {24,S} +11 C u0 p0 c0 {5,D} {25,S} {26,S} +12 C u0 p0 c0 {6,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C12H16(18375) +1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {9,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {8,S} {16,S} {17,S} +4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {1,S} {3,S} {11,D} +6 C u0 p0 c0 {4,S} {10,S} {12,D} +7 C u0 p0 c0 {1,S} {8,D} {22,S} +8 C u0 p0 c0 {3,S} {7,D} {21,S} +9 C u0 p0 c0 {2,S} {10,D} {23,S} +10 C u0 p0 c0 {6,S} {9,D} {24,S} +11 C u0 p0 c0 {5,D} {25,S} {26,S} +12 C u0 p0 c0 {6,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C8H10L(18195) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {8,S} {11,S} {12,S} +3 C u0 p0 c0 {4,S} {5,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {3,S} {6,D} +5 C u0 p0 c0 {3,S} {7,D} {15,S} +6 C u0 p0 c0 {4,D} {7,S} {17,S} +7 C u0 p0 c0 {5,D} {6,S} {16,S} +8 C u1 p0 c0 {2,S} {18,S} {19,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {6,S} +18 L u0 p0 c0 {8,S} +19 H u0 p0 c0 {8,S} + +C8H10L(30674) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {7,S} {9,S} +2 C u0 p0 c0 {1,S} {3,S} {12,S} {13,S} +3 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {6,S} {16,S} {17,S} +5 C u0 p0 c0 {3,S} {6,S} {14,S} {15,S} +6 C u0 p0 c0 {4,S} {5,S} {8,D} +7 C u1 p0 c0 {1,S} {8,S} {18,S} +8 C u0 p0 c0 {6,D} {7,S} {19,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 L u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} + +C12H16(18380) +1 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} +3 C u0 p0 c0 {5,S} {7,S} {17,S} {18,S} +4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} +5 C u0 p0 c0 {1,S} {3,S} {8,D} +6 C u0 p0 c0 {2,S} {4,S} {9,D} +7 C u0 p0 c0 {3,S} {10,D} {22,S} +8 C u0 p0 c0 {5,D} {10,S} {24,S} +9 C u0 p0 c0 {6,D} {11,S} {25,S} +10 C u0 p0 c0 {7,D} {8,S} {23,S} +11 C u0 p0 c0 {9,S} {12,D} {26,S} +12 C u0 p0 c0 {11,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C12H16(18377) +1 C u0 p0 c0 {2,S} {6,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {8,S} {16,S} {17,S} +4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {2,S} {3,S} {9,D} +6 C u0 p0 c0 {1,S} {4,S} {11,D} +7 C u0 p0 c0 {1,S} {12,D} {22,S} +8 C u0 p0 c0 {3,S} {10,D} {21,S} +9 C u0 p0 c0 {5,D} {10,S} {24,S} +10 C u0 p0 c0 {8,D} {9,S} {23,S} +11 C u0 p0 c0 {6,D} {25,S} {26,S} +12 C u0 p0 c0 {7,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C12H16(18374) +1 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} +3 C u0 p0 c0 {5,S} {8,S} {17,S} {18,S} +4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} +5 C u0 p0 c0 {1,S} {3,S} {9,D} +6 C u0 p0 c0 {4,S} {10,S} {12,D} +7 C u0 p0 c0 {2,S} {10,D} {23,S} +8 C u0 p0 c0 {3,S} {11,D} {22,S} +9 C u0 p0 c0 {5,D} {11,S} {25,S} +10 C u0 p0 c0 {6,S} {7,D} {26,S} +11 C u0 p0 c0 {8,D} {9,S} {24,S} +12 C u0 p0 c0 {6,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C6H8(18175) +1 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {3,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {2,S} {6,D} +4 C u0 p0 c0 {1,S} {5,D} {11,S} +5 C u0 p0 c0 {2,S} {4,D} {12,S} +6 C u0 p0 c0 {3,D} {13,S} {14,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} + +C9H11R(18275) +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {4,S} {5,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {3,S} {7,D} +5 C u0 p0 c0 {3,S} {8,D} {16,S} +6 C u0 p0 c0 {2,S} {9,D} {17,S} +7 C u0 p0 c0 {4,D} {8,S} {19,S} +8 C u0 p0 c0 {5,D} {7,S} {18,S} +9 C u0 p0 c0 {6,D} {20,S} {21,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 R u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} + +C9H12R2(24302) +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {4,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {3,S} {6,D} +5 C u0 p0 c0 {2,S} {8,D} {17,S} +6 C u0 p0 c0 {4,D} {7,S} {18,S} +7 C u0 p0 c0 {6,S} {9,D} {19,S} +8 C u0 p0 c0 {5,D} {22,S} {23,S} +9 C u0 p0 c0 {7,D} {20,S} {21,S} +10 H u0 p0 c0 {1,S} +11 R u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} +22 R u0 p0 c0 {8,S} +23 H u0 p0 c0 {8,S} + +C12H20L(4090) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {8,S} {17,S} {18,S} +3 C u0 p0 c0 {4,S} {8,S} {19,S} {20,S} +4 C u0 p0 c0 {3,S} {9,S} {15,S} {16,S} +5 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +6 C u0 p0 c0 {8,S} {27,S} {28,S} {29,S} +7 C u0 p0 c0 {9,S} {24,S} {25,S} {26,S} +8 C u1 p0 c0 {2,S} {3,S} {6,S} +9 C u0 p0 c0 {4,S} {7,S} {10,D} +10 C u0 p0 c0 {9,D} {11,S} {30,S} +11 C u0 p0 c0 {10,S} {12,D} {31,S} +12 C u0 p0 c0 {11,D} {32,S} {33,S} +13 L u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {2,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {5,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {6,S} +28 H u0 p0 c0 {6,S} +29 H u0 p0 c0 {6,S} +30 H u0 p0 c0 {10,S} +31 H u0 p0 c0 {11,S} +32 H u0 p0 c0 {12,S} +33 H u0 p0 c0 {12,S} + +C10H13R(18283) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +4 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {2,S} {4,S} {9,D} +6 C u0 p0 c0 {3,S} {8,S} {10,D} +7 C u0 p0 c0 {1,S} {8,D} {19,S} +8 C u0 p0 c0 {6,S} {7,D} {20,S} +9 C u0 p0 c0 {5,D} {23,S} {24,S} +10 C u0 p0 c0 {6,D} {21,S} {22,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {10,S} +23 R u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} + +C8H10L(30673) +multiplicity 2 +1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {3,S} {12,S} {13,S} +3 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +4 C u0 p0 c0 {3,S} {6,S} {14,S} {15,S} +5 C u0 p0 c0 {6,S} {7,S} {16,S} {17,S} +6 C u0 p0 c0 {4,S} {5,S} {8,D} +7 C u1 p0 c0 {1,S} {5,S} {18,S} +8 C u0 p0 c0 {1,S} {6,D} {19,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 L u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} + +C11H14L(20661) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {7,S} {16,S} {17,S} +4 C u0 p0 c0 {8,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {1,S} {3,S} {9,D} +6 C u1 p0 c0 {2,S} {10,S} {23,S} +7 C u0 p0 c0 {3,S} {11,D} {21,S} +8 C u0 p0 c0 {4,S} {10,D} {22,S} +9 C u0 p0 c0 {5,D} {11,S} {25,S} +10 C u0 p0 c0 {6,S} {8,D} {26,S} +11 C u0 p0 c0 {7,D} {9,S} {24,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {7,S} +22 L u0 p0 c0 {8,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {10,S} + +C12H20L(4086) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {8,S} {17,S} {18,S} +3 C u0 p0 c0 {4,S} {8,S} {19,S} {20,S} +4 C u0 p0 c0 {3,S} {10,S} {15,S} {16,S} +5 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +6 C u0 p0 c0 {8,S} {27,S} {28,S} {29,S} +7 C u0 p0 c0 {9,S} {24,S} {25,S} {26,S} +8 C u1 p0 c0 {2,S} {3,S} {6,S} +9 C u0 p0 c0 {7,S} {11,S} {12,D} +10 C u0 p0 c0 {4,S} {11,D} {30,S} +11 C u0 p0 c0 {9,S} {10,D} {31,S} +12 C u0 p0 c0 {9,D} {32,S} {33,S} +13 L u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {2,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {5,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {6,S} +28 H u0 p0 c0 {6,S} +29 H u0 p0 c0 {6,S} +30 H u0 p0 c0 {10,S} +31 H u0 p0 c0 {11,S} +32 H u0 p0 c0 {12,S} +33 H u0 p0 c0 {12,S} + +C10H13R(18282) +1 C u0 p0 c0 {2,S} {5,S} {7,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {5,S} {8,S} {14,S} {15,S} +4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {1,S} {3,S} {9,D} +6 C u0 p0 c0 {2,S} {4,S} {10,D} +7 C u0 p0 c0 {1,S} {8,D} {20,S} +8 C u0 p0 c0 {3,S} {7,D} {19,S} +9 C u0 p0 c0 {5,D} {21,S} {22,S} +10 C u0 p0 c0 {6,D} {23,S} {24,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} +23 R u0 p0 c0 {10,S} +24 H u0 p0 c0 {10,S} + +C12H16(18680) +1 C u0 p0 c0 {2,S} {3,S} {9,S} {13,S} +2 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} +4 C u0 p0 c0 {2,S} {8,S} {18,S} {19,S} +5 C u0 p0 c0 {7,S} {10,S} {20,S} {21,S} +6 C u0 p0 c0 {8,S} {22,S} {23,S} {24,S} +7 C u0 p0 c0 {3,S} {5,S} {11,D} +8 C u0 p0 c0 {4,S} {6,S} {9,D} +9 C u0 p0 c0 {1,S} {8,D} {26,S} +10 C u0 p0 c0 {5,S} {12,D} {25,S} +11 C u0 p0 c0 {7,D} {12,S} {28,S} +12 C u0 p0 c0 {10,D} {11,S} {27,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {9,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {11,S} + +C12H15R(24502) +1 C u0 p0 c0 {2,S} {3,S} {9,S} {13,S} +2 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {7,S} {18,S} {19,S} +4 C u0 p0 c0 {2,S} {8,S} {16,S} {17,S} +5 C u0 p0 c0 {7,S} {10,S} {20,S} {21,S} +6 C u0 p0 c0 {8,S} {22,S} {23,S} {24,S} +7 C u0 p0 c0 {3,S} {5,S} {11,D} +8 C u0 p0 c0 {4,S} {6,S} {9,D} +9 C u0 p0 c0 {1,S} {8,D} {25,S} +10 C u0 p0 c0 {5,S} {12,D} {26,S} +11 C u0 p0 c0 {7,D} {12,S} {28,S} +12 C u0 p0 c0 {10,D} {11,S} {27,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {4,S} +17 R u0 p0 c0 {4,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {11,S} + +C13H22R(4084) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {14,S} +2 C u0 p0 c0 {1,S} {9,S} {17,S} {18,S} +3 C u0 p0 c0 {4,S} {9,S} {19,S} {20,S} +4 C u0 p0 c0 {3,S} {10,S} {15,S} {16,S} +5 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +6 C u0 p0 c0 {1,S} {24,S} {25,S} {26,S} +7 C u0 p0 c0 {9,S} {30,S} {31,S} {32,S} +8 C u0 p0 c0 {10,S} {27,S} {28,S} {29,S} +9 C u1 p0 c0 {2,S} {3,S} {7,S} +10 C u0 p0 c0 {4,S} {8,S} {11,D} +11 C u0 p0 c0 {10,D} {12,S} {33,S} +12 C u0 p0 c0 {11,S} {13,D} {34,S} +13 C u0 p0 c0 {12,D} {35,S} {36,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {2,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {5,S} +24 R u0 p0 c0 {6,S} +25 H u0 p0 c0 {6,S} +26 H u0 p0 c0 {6,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {8,S} +30 H u0 p0 c0 {7,S} +31 H u0 p0 c0 {7,S} +32 H u0 p0 c0 {7,S} +33 H u0 p0 c0 {11,S} +34 H u0 p0 c0 {12,S} +35 H u0 p0 c0 {13,S} +36 H u0 p0 c0 {13,S} + +C13H22R(4080) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {14,S} +2 C u0 p0 c0 {1,S} {9,S} {17,S} {18,S} +3 C u0 p0 c0 {4,S} {9,S} {19,S} {20,S} +4 C u0 p0 c0 {3,S} {11,S} {15,S} {16,S} +5 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +6 C u0 p0 c0 {1,S} {24,S} {25,S} {26,S} +7 C u0 p0 c0 {9,S} {30,S} {31,S} {32,S} +8 C u0 p0 c0 {10,S} {27,S} {28,S} {29,S} +9 C u1 p0 c0 {2,S} {3,S} {7,S} +10 C u0 p0 c0 {8,S} {12,S} {13,D} +11 C u0 p0 c0 {4,S} {12,D} {33,S} +12 C u0 p0 c0 {10,S} {11,D} {34,S} +13 C u0 p0 c0 {10,D} {35,S} {36,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {2,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {5,S} +24 R u0 p0 c0 {6,S} +25 H u0 p0 c0 {6,S} +26 H u0 p0 c0 {6,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {8,S} +30 H u0 p0 c0 {7,S} +31 H u0 p0 c0 {7,S} +32 H u0 p0 c0 {7,S} +33 H u0 p0 c0 {11,S} +34 H u0 p0 c0 {12,S} +35 H u0 p0 c0 {13,S} +36 H u0 p0 c0 {13,S} + +C10H13R(18280) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +4 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {2,S} {4,S} {9,D} +6 C u0 p0 c0 {3,S} {8,S} {10,D} +7 C u0 p0 c0 {1,S} {8,D} {19,S} +8 C u0 p0 c0 {6,S} {7,D} {20,S} +9 C u0 p0 c0 {5,D} {23,S} {24,S} +10 C u0 p0 c0 {6,D} {21,S} {22,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 R u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} + +C10H13R(18279) +1 C u0 p0 c0 {2,S} {5,S} {7,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {5,S} {8,S} {14,S} {15,S} +4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {1,S} {3,S} {9,D} +6 C u0 p0 c0 {2,S} {4,S} {10,D} +7 C u0 p0 c0 {1,S} {8,D} {20,S} +8 C u0 p0 c0 {3,S} {7,D} {19,S} +9 C u0 p0 c0 {5,D} {21,S} {22,S} +10 C u0 p0 c0 {6,D} {23,S} {24,S} +11 H u0 p0 c0 {1,S} +12 R u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {10,S} + +C10H15(18437) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} +3 C u0 p0 c0 {7,S} {8,S} {15,S} {16,S} +4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {6,S} {20,S} {21,S} {22,S} +6 C u1 p0 c0 {1,S} {4,S} {5,S} +7 C u0 p0 c0 {2,S} {3,S} {9,D} +8 C u0 p0 c0 {3,S} {10,D} {23,S} +9 C u0 p0 c0 {7,D} {10,S} {25,S} +10 C u0 p0 c0 {8,D} {9,S} {24,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {9,S} + +C12H15R(24501) +1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {7,S} {17,S} {18,S} +4 C u0 p0 c0 {2,S} {9,S} {15,S} {16,S} +5 C u0 p0 c0 {7,S} {10,S} {19,S} {20,S} +6 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +7 C u0 p0 c0 {3,S} {5,S} {11,D} +8 C u0 p0 c0 {1,S} {9,D} {25,S} +9 C u0 p0 c0 {4,S} {8,D} {24,S} +10 C u0 p0 c0 {5,S} {12,D} {26,S} +11 C u0 p0 c0 {7,D} {12,S} {28,S} +12 C u0 p0 c0 {10,D} {11,S} {27,S} +13 H u0 p0 c0 {2,S} +14 R u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {11,S} + +C11H13(18468) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} +4 C u0 p0 c0 {5,S} {8,S} {17,S} {18,S} +5 C u0 p0 c0 {2,S} {4,S} {9,D} +6 C u1 p0 c0 {1,S} {10,S} {21,S} +7 C u0 p0 c0 {3,S} {10,D} {20,S} +8 C u0 p0 c0 {4,S} {11,D} {19,S} +9 C u0 p0 c0 {5,D} {11,S} {23,S} +10 C u0 p0 c0 {6,S} {7,D} {24,S} +11 C u0 p0 c0 {8,D} {9,S} {22,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {10,S} + +C12H16(18679) +1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {9,S} {17,S} {18,S} +5 C u0 p0 c0 {7,S} {10,S} {19,S} {20,S} +6 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +7 C u0 p0 c0 {3,S} {5,S} {11,D} +8 C u0 p0 c0 {1,S} {9,D} {26,S} +9 C u0 p0 c0 {4,S} {8,D} {25,S} +10 C u0 p0 c0 {5,S} {12,D} {24,S} +11 C u0 p0 c0 {7,D} {12,S} {28,S} +12 C u0 p0 c0 {10,D} {11,S} {27,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {11,S} + +C12H15(18389) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} +4 C u0 p0 c0 {6,S} {9,S} {18,S} {19,S} +5 C u0 p0 c0 {7,S} {20,S} {21,S} {22,S} +6 C u0 p0 c0 {2,S} {4,S} {11,D} +7 C u0 p0 c0 {3,S} {5,S} {10,D} +8 C u1 p0 c0 {1,S} {10,S} {24,S} +9 C u0 p0 c0 {4,S} {12,D} {23,S} +10 C u0 p0 c0 {7,D} {8,S} {27,S} +11 C u0 p0 c0 {6,D} {12,S} {26,S} +12 C u0 p0 c0 {9,D} {11,S} {25,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {10,S} + +C11H16(11281) +1 C u0 p0 c0 {2,S} {4,S} {14,S} {15,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {4,S} {16,S} {17,S} {18,S} +4 C u0 p0 c0 {1,S} {3,S} {6,D} +5 C u0 p0 c0 {2,S} {7,D} {19,S} +6 C u0 p0 c0 {4,D} {9,S} {22,S} +7 C u0 p0 c0 {5,D} {8,S} {21,S} +8 C u0 p0 c0 {7,S} {10,D} {20,S} +9 C u0 p0 c0 {6,S} {11,D} {23,S} +10 C u0 p0 c0 {8,D} {24,S} {25,S} +11 C u0 p0 c0 {9,D} {26,S} {27,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {11,S} + +C12H16(18726) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {8,S} {16,S} {17,S} +4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {2,S} {9,S} {11,D} +6 C u0 p0 c0 {4,S} {8,D} {10,S} +7 C u0 p0 c0 {1,S} {9,D} {21,S} +8 C u0 p0 c0 {3,S} {6,D} {22,S} +9 C u0 p0 c0 {5,S} {7,D} {23,S} +10 C u0 p0 c0 {6,S} {12,D} {24,S} +11 C u0 p0 c0 {5,D} {25,S} {26,S} +12 C u0 p0 c0 {10,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C10H14R(18285) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} +3 C u0 p0 c0 {7,S} {8,S} {15,S} {16,S} +4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {6,S} {20,S} {21,S} {22,S} +6 C u1 p0 c0 {1,S} {4,S} {5,S} +7 C u0 p0 c0 {2,S} {3,S} {9,D} +8 C u0 p0 c0 {3,S} {10,D} {23,S} +9 C u0 p0 c0 {7,D} {10,S} {25,S} +10 C u0 p0 c0 {8,D} {9,S} {24,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 R u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {9,S} + +C9H11L(18431) +1 C u0 p0 c0 {2,S} {3,S} {5,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {2,S} {7,S} {8,D} +5 C u0 p0 c0 {1,S} {7,D} {15,S} +6 C u0 p0 c0 {3,S} {9,D} {16,S} +7 C u0 p0 c0 {4,S} {5,D} {17,S} +8 C u0 p0 c0 {4,D} {18,S} {19,S} +9 C u0 p0 c0 {6,D} {20,S} {21,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 L u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} + +C12H15(22038) +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} +3 C u0 p0 c0 {4,S} {6,S} {17,S} {18,S} +4 C u0 p0 c0 {3,S} {8,S} {19,S} {20,S} +5 C u0 p0 c0 {7,S} {9,S} {21,S} {22,S} +6 C u0 p0 c0 {1,S} {3,S} {10,D} +7 C u0 p0 c0 {2,S} {5,S} {11,D} +8 C u1 p0 c0 {4,S} {10,S} {24,S} +9 C u0 p0 c0 {5,S} {12,D} {23,S} +10 C u0 p0 c0 {6,D} {8,S} {25,S} +11 C u0 p0 c0 {7,D} {12,S} {27,S} +12 C u0 p0 c0 {9,D} {11,S} {26,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {11,S} + +C11H15(18464) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} +4 C u0 p0 c0 {8,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {2,S} {9,S} {11,D} +6 C u0 p0 c0 {1,S} {9,D} {20,S} +7 C u1 p0 c0 {3,S} {10,S} {22,S} +8 C u0 p0 c0 {4,S} {10,D} {21,S} +9 C u0 p0 c0 {5,S} {6,D} {23,S} +10 C u0 p0 c0 {7,S} {8,D} {24,S} +11 C u0 p0 c0 {5,D} {25,S} {26,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} + +C9H11L(18430) +1 C u0 p0 c0 {2,S} {4,S} {5,S} {10,S} +2 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} +3 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {3,S} {8,D} +5 C u0 p0 c0 {1,S} {6,D} {16,S} +6 C u0 p0 c0 {3,S} {5,D} {15,S} +7 C u0 p0 c0 {2,S} {9,D} {17,S} +8 C u0 p0 c0 {4,D} {18,S} {19,S} +9 C u0 p0 c0 {7,D} {20,S} {21,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {5,S} +17 L u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {9,S} + +C10H14R(33566) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {8,S} {16,S} {17,S} +5 C u0 p0 c0 {3,S} {8,S} {14,S} {15,S} +6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +7 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +8 C u0 p0 c0 {4,S} {5,S} {10,D} +9 C u1 p0 c0 {2,S} {10,S} {24,S} +10 C u0 p0 c0 {8,D} {9,S} {25,S} +11 H u0 p0 c0 {2,S} +12 R u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {10,S} + +C12H15(18406) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {9,S} {16,S} {17,S} +4 C u0 p0 c0 {6,S} {10,S} {18,S} {19,S} +5 C u0 p0 c0 {7,S} {20,S} {21,S} {22,S} +6 C u0 p0 c0 {2,S} {4,S} {11,D} +7 C u0 p0 c0 {5,S} {8,S} {9,D} +8 C u1 p0 c0 {1,S} {7,S} {25,S} +9 C u0 p0 c0 {3,S} {7,D} {24,S} +10 C u0 p0 c0 {4,S} {12,D} {23,S} +11 C u0 p0 c0 {6,D} {12,S} {27,S} +12 C u0 p0 c0 {10,D} {11,S} {26,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {11,S} + +C9H13(18194) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {14,S} {15,S} {16,S} +5 C u0 p0 c0 {3,S} {7,S} {9,D} +6 C u0 p0 c0 {1,S} {7,D} {17,S} +7 C u0 p0 c0 {5,S} {6,D} {18,S} +8 C u1 p0 c0 {2,S} {19,S} {20,S} +9 C u0 p0 c0 {5,D} {21,S} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} + +C10H15(32871) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {8,S} {16,S} {17,S} +5 C u0 p0 c0 {3,S} {8,S} {14,S} {15,S} +6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +7 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +8 C u1 p0 c0 {4,S} {5,S} {10,S} +9 C u0 p0 c0 {2,S} {10,D} {24,S} +10 C u0 p0 c0 {8,S} {9,D} {25,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {10,S} + +C10H14(18435) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +4 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {2,S} {4,S} {9,D} +6 C u0 p0 c0 {3,S} {8,S} {10,D} +7 C u0 p0 c0 {1,S} {8,D} {19,S} +8 C u0 p0 c0 {6,S} {7,D} {20,S} +9 C u0 p0 c0 {5,D} {23,S} {24,S} +10 C u0 p0 c0 {6,D} {21,S} {22,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} + +C12H16(18725) +1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {8,S} {14,S} {15,S} +3 C u0 p0 c0 {5,S} {9,S} {16,S} {17,S} +4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {1,S} {3,S} {11,D} +6 C u0 p0 c0 {4,S} {8,D} {10,S} +7 C u0 p0 c0 {1,S} {9,D} {22,S} +8 C u0 p0 c0 {2,S} {6,D} {23,S} +9 C u0 p0 c0 {3,S} {7,D} {21,S} +10 C u0 p0 c0 {6,S} {12,D} {24,S} +11 C u0 p0 c0 {5,D} {25,S} {26,S} +12 C u0 p0 c0 {10,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C11H16(11277) +1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} +2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +3 C u0 p0 c0 {4,S} {16,S} {17,S} {18,S} +4 C u0 p0 c0 {3,S} {7,S} {10,D} +5 C u0 p0 c0 {1,S} {8,D} {19,S} +6 C u0 p0 c0 {2,S} {7,D} {20,S} +7 C u0 p0 c0 {4,S} {6,D} {23,S} +8 C u0 p0 c0 {5,D} {9,S} {22,S} +9 C u0 p0 c0 {8,S} {11,D} {21,S} +10 C u0 p0 c0 {4,D} {26,S} {27,S} +11 C u0 p0 c0 {9,D} {24,S} {25,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {10,S} + +C11H16(11279) +1 C u0 p0 c0 {2,S} {4,S} {6,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +3 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} +4 C u0 p0 c0 {1,S} {3,S} {9,D} +5 C u0 p0 c0 {2,S} {7,D} {18,S} +6 C u0 p0 c0 {1,S} {10,D} {19,S} +7 C u0 p0 c0 {5,D} {8,S} {21,S} +8 C u0 p0 c0 {7,S} {11,D} {20,S} +9 C u0 p0 c0 {4,D} {24,S} {25,S} +10 C u0 p0 c0 {6,D} {26,S} {27,S} +11 C u0 p0 c0 {8,D} {22,S} {23,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {10,S} + +C9H12R(18225) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {5,S} {7,S} {14,S} {15,S} +4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {1,S} {3,S} {8,D} +6 C u1 p0 c0 {2,S} {4,S} {19,S} +7 C u0 p0 c0 {3,S} {9,D} {20,S} +8 C u0 p0 c0 {5,D} {9,S} {22,S} +9 C u0 p0 c0 {7,D} {8,S} {21,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 R u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {8,S} + +C9H12R(34500) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {7,S} {16,S} {17,S} +5 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} +6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +7 C u0 p0 c0 {4,S} {5,S} {9,D} +8 C u1 p0 c0 {2,S} {9,S} {21,S} +9 C u0 p0 c0 {7,D} {8,S} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 R u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} + +C10H14(18434) +1 C u0 p0 c0 {2,S} {5,S} {7,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {5,S} {8,S} {14,S} {15,S} +4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {1,S} {3,S} {9,D} +6 C u0 p0 c0 {2,S} {4,S} {10,D} +7 C u0 p0 c0 {1,S} {8,D} {20,S} +8 C u0 p0 c0 {3,S} {7,D} {19,S} +9 C u0 p0 c0 {5,D} {21,S} {22,S} +10 C u0 p0 c0 {6,D} {23,S} {24,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {10,S} + +C10H14L(20637) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +3 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} +4 C u0 p0 c0 {1,S} {8,D} {18,S} +5 C u1 p0 c0 {2,S} {7,S} {20,S} +6 C u0 p0 c0 {3,S} {7,D} {19,S} +7 C u0 p0 c0 {5,S} {6,D} {23,S} +8 C u0 p0 c0 {4,D} {9,S} {22,S} +9 C u0 p0 c0 {8,S} {10,D} {21,S} +10 C u0 p0 c0 {9,D} {24,S} {25,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 L u0 p0 c0 {6,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {10,S} + +C10H13R(18278) +1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +3 C u0 p0 c0 {5,S} {7,S} {15,S} {16,S} +4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {1,S} {3,S} {8,D} +6 C u0 p0 c0 {2,S} {4,S} {10,D} +7 C u0 p0 c0 {3,S} {9,D} {20,S} +8 C u0 p0 c0 {5,D} {9,S} {22,S} +9 C u0 p0 c0 {7,D} {8,S} {21,S} +10 C u0 p0 c0 {6,D} {23,S} {24,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 R u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {10,S} + +C11H14(18772) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {12,S} +2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {8,S} {17,S} {18,S} +5 C u0 p0 c0 {6,S} {9,S} {19,S} {20,S} +6 C u0 p0 c0 {3,S} {5,S} {10,D} +7 C u0 p0 c0 {1,S} {8,D} {23,S} +8 C u0 p0 c0 {4,S} {7,D} {22,S} +9 C u0 p0 c0 {5,S} {11,D} {21,S} +10 C u0 p0 c0 {6,D} {11,S} {25,S} +11 C u0 p0 c0 {9,D} {10,S} {24,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {10,S} + +C11H15(18454) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {6,S} {12,S} +2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +3 C u0 p0 c0 {5,S} {7,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {2,S} {3,S} {8,D} +6 C u0 p0 c0 {1,S} {10,D} {21,S} +7 C u0 p0 c0 {3,S} {9,D} {20,S} +8 C u0 p0 c0 {5,D} {9,S} {23,S} +9 C u0 p0 c0 {7,D} {8,S} {22,S} +10 C u0 p0 c0 {6,D} {11,S} {24,S} +11 C u1 p0 c0 {10,S} {25,S} {26,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} + +C6H9R(1802) +1 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {2,S} {4,D} +4 C u0 p0 c0 {3,D} {5,S} {13,S} +5 C u0 p0 c0 {4,S} {6,D} {14,S} +6 C u0 p0 c0 {5,D} {15,S} {16,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 R u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} + +C11H15(35245) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {6,S} {12,S} +2 C u0 p0 c0 {1,S} {3,S} {9,S} {14,S} +3 C u0 p0 c0 {2,S} {5,S} {8,S} {13,S} +4 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} +5 C u0 p0 c0 {3,S} {7,S} {17,S} {18,S} +6 C u0 p0 c0 {1,S} {19,S} {20,S} {21,S} +7 C u1 p0 c0 {4,S} {5,S} {10,S} +8 C u0 p0 c0 {3,S} {10,D} {22,S} +9 C u0 p0 c0 {2,S} {11,D} {23,S} +10 C u0 p0 c0 {7,S} {8,D} {24,S} +11 C u0 p0 c0 {9,D} {25,S} {26,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} + +C5H8LR(1393) +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {5,D} {13,S} +5 C u0 p0 c0 {4,D} {14,S} {15,S} +6 L u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 R u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} + +C11H15(35243) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {6,S} {12,S} +2 C u0 p0 c0 {1,S} {3,S} {9,S} {13,S} +3 C u0 p0 c0 {2,S} {7,S} {8,S} {14,S} +4 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} +5 C u0 p0 c0 {7,S} {10,S} {17,S} {18,S} +6 C u0 p0 c0 {1,S} {19,S} {20,S} {21,S} +7 C u1 p0 c0 {3,S} {4,S} {5,S} +8 C u0 p0 c0 {3,S} {10,D} {23,S} +9 C u0 p0 c0 {2,S} {11,D} {24,S} +10 C u0 p0 c0 {5,S} {8,D} {22,S} +11 C u0 p0 c0 {9,D} {25,S} {26,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {10,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {11,S} + +C12H18L(18253) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {10,S} {13,S} +2 C u0 p0 c0 {5,S} {6,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {8,S} {20,S} {21,S} +4 C u0 p0 c0 {1,S} {9,S} {16,S} {17,S} +5 C u0 p0 c0 {2,S} {8,S} {18,S} {19,S} +6 C u0 p0 c0 {2,S} {22,S} {23,S} {24,S} +7 C u0 p0 c0 {8,S} {25,S} {26,S} {27,S} +8 C u1 p0 c0 {3,S} {5,S} {7,S} +9 C u0 p0 c0 {4,S} {11,S} {12,D} +10 C u0 p0 c0 {1,S} {11,D} {28,S} +11 C u0 p0 c0 {9,S} {10,D} {29,S} +12 C u0 p0 c0 {9,D} {30,S} {31,S} +13 H u0 p0 c0 {1,S} +14 L u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {3,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {7,S} +28 H u0 p0 c0 {10,S} +29 H u0 p0 c0 {11,S} +30 H u0 p0 c0 {12,S} +31 H u0 p0 c0 {12,S} + +C10H17LR(3394) +multiplicity 2 +1 C u0 p0 c0 {4,S} {5,S} {10,S} {11,S} +2 C u0 p0 c0 {3,S} {8,S} {12,S} {13,S} +3 C u0 p0 c0 {2,S} {9,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {1,S} {19,S} {20,S} {21,S} +6 C u0 p0 c0 {8,S} {22,S} {23,S} {24,S} +7 C u0 p0 c0 {9,S} {25,S} {26,S} {27,S} +8 C u0 p0 c0 {2,S} {6,S} {10,D} +9 C u1 p0 c0 {3,S} {7,S} {28,S} +10 C u0 p0 c0 {1,S} {8,D} {29,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 R u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {7,S} +28 L u0 p0 c0 {9,S} +29 H u0 p0 c0 {10,S} + +C4H6L(1895) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 C u1 p0 c0 {1,S} {3,S} {8,S} +3 C u0 p0 c0 {2,S} {4,D} {9,S} +4 C u0 p0 c0 {3,D} {10,S} {11,S} +5 L u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} + +C7H11L2(36342) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {8,S} {9,S} +3 C u0 p0 c0 {5,S} {15,S} {16,S} {17,S} +4 C u0 p0 c0 {7,S} {12,S} {13,S} {14,S} +5 C u1 p0 c0 {1,S} {3,S} {18,S} +6 C u0 p0 c0 {2,S} {7,D} {20,S} +7 C u0 p0 c0 {4,S} {6,D} {19,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 L u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 L u0 p0 c0 {5,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {6,S} + +C4H7L(36302) +1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {4,D} {11,S} +4 C u0 p0 c0 {2,S} {3,D} {12,S} +5 L u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} + +C13H20R(18248) +multiplicity 2 +1 C u0 p0 c0 {3,S} {6,S} {7,S} {14,S} +2 C u0 p0 c0 {4,S} {5,S} {11,S} {15,S} +3 C u0 p0 c0 {1,S} {9,S} {18,S} {19,S} +4 C u0 p0 c0 {2,S} {9,S} {20,S} {21,S} +5 C u0 p0 c0 {2,S} {10,S} {16,S} {17,S} +6 C u0 p0 c0 {1,S} {22,S} {23,S} {24,S} +7 C u0 p0 c0 {1,S} {25,S} {26,S} {27,S} +8 C u0 p0 c0 {9,S} {28,S} {29,S} {30,S} +9 C u1 p0 c0 {3,S} {4,S} {8,S} +10 C u0 p0 c0 {5,S} {12,S} {13,D} +11 C u0 p0 c0 {2,S} {12,D} {31,S} +12 C u0 p0 c0 {10,S} {11,D} {32,S} +13 C u0 p0 c0 {10,D} {33,S} {34,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 R u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {7,S} +28 H u0 p0 c0 {8,S} +29 H u0 p0 c0 {8,S} +30 H u0 p0 c0 {8,S} +31 H u0 p0 c0 {11,S} +32 H u0 p0 c0 {12,S} +33 H u0 p0 c0 {13,S} +34 H u0 p0 c0 {13,S} + +C10H13R(18281) +1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +3 C u0 p0 c0 {5,S} {7,S} {15,S} {16,S} +4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {1,S} {3,S} {8,D} +6 C u0 p0 c0 {2,S} {4,S} {10,D} +7 C u0 p0 c0 {3,S} {9,D} {20,S} +8 C u0 p0 c0 {5,D} {9,S} {22,S} +9 C u0 p0 c0 {7,D} {8,S} {21,S} +10 C u0 p0 c0 {6,D} {23,S} {24,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {8,S} +23 R u0 p0 c0 {10,S} +24 H u0 p0 c0 {10,S} + +C6H7R(24238) +1 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {2,S} {5,D} +4 C u0 p0 c0 {1,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {6,S} {13,S} +6 C u0 p0 c0 {4,D} {5,S} {14,S} +7 R u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} + +C9H12R(18224) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} +3 C u0 p0 c0 {5,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +5 C u0 p0 c0 {2,S} {3,S} {7,D} +6 C u0 p0 c0 {3,S} {8,D} {18,S} +7 C u0 p0 c0 {5,D} {8,S} {20,S} +8 C u0 p0 c0 {6,D} {7,S} {19,S} +9 C u1 p0 c0 {1,S} {21,S} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {7,S} +21 R u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} + +C9H12R(38723) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {6,S} {10,S} +2 C u0 p0 c0 {3,S} {5,S} {8,S} {11,S} +3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} +5 C u0 p0 c0 {2,S} {7,S} {16,S} {17,S} +6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +7 C u0 p0 c0 {4,S} {5,S} {9,D} +8 C u1 p0 c0 {2,S} {9,S} {21,S} +9 C u0 p0 c0 {7,D} {8,S} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 R u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} + +C10H15(32869) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {8,S} {9,S} {11,S} +3 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +4 C u0 p0 c0 {3,S} {8,S} {14,S} {15,S} +5 C u0 p0 c0 {8,S} {10,S} {16,S} {17,S} +6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +7 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} +8 C u1 p0 c0 {2,S} {4,S} {5,S} +9 C u0 p0 c0 {2,S} {10,D} {25,S} +10 C u0 p0 c0 {5,S} {9,D} {24,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {9,S} + +C9H13(18191) +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} +3 C u0 p0 c0 {5,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +5 C u0 p0 c0 {2,S} {3,S} {7,D} +6 C u0 p0 c0 {3,S} {8,D} {18,S} +7 C u0 p0 c0 {5,D} {8,S} {20,S} +8 C u0 p0 c0 {6,D} {7,S} {19,S} +9 C u1 p0 c0 {1,S} {21,S} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} + +C9H13(20452) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {6,S} {10,S} +2 C u0 p0 c0 {3,S} {5,S} {8,S} {11,S} +3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} +5 C u0 p0 c0 {2,S} {7,S} {14,S} {15,S} +6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +7 C u1 p0 c0 {4,S} {5,S} {9,S} +8 C u0 p0 c0 {2,S} {9,D} {21,S} +9 C u0 p0 c0 {7,S} {8,D} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} + +C9H13(38809) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {6,S} {10,S} +2 C u0 p0 c0 {3,S} {8,S} {9,S} {11,S} +3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} +5 C u0 p0 c0 {7,S} {8,S} {16,S} {17,S} +6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +7 C u0 p0 c0 {4,S} {5,S} {9,D} +8 C u1 p0 c0 {2,S} {5,S} {21,S} +9 C u0 p0 c0 {2,S} {7,D} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} + +C9H12R(38722) +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {6,S} {10,S} +2 C u0 p0 c0 {3,S} {8,S} {9,S} {11,S} +3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} +5 C u0 p0 c0 {7,S} {8,S} {16,S} {17,S} +6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +7 C u0 p0 c0 {4,S} {5,S} {9,D} +8 C u1 p0 c0 {2,S} {5,S} {21,S} +9 C u0 p0 c0 {2,S} {7,D} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 R u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} + +C12H16(18717) +1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {8,S} {16,S} {17,S} +4 C u0 p0 c0 {2,S} {9,S} {18,S} {19,S} +5 C u0 p0 c0 {8,S} {10,S} {20,S} {21,S} +6 C u0 p0 c0 {7,S} {22,S} {23,S} {24,S} +7 C u0 p0 c0 {1,S} {6,S} {9,D} +8 C u0 p0 c0 {3,S} {5,S} {11,D} +9 C u0 p0 c0 {4,S} {7,D} {26,S} +10 C u0 p0 c0 {5,S} {12,D} {25,S} +11 C u0 p0 c0 {8,D} {12,S} {28,S} +12 C u0 p0 c0 {10,D} {11,S} {27,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {9,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {11,S} + +C10H14(18433) +1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +3 C u0 p0 c0 {5,S} {7,S} {15,S} {16,S} +4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {1,S} {3,S} {8,D} +6 C u0 p0 c0 {2,S} {4,S} {10,D} +7 C u0 p0 c0 {3,S} {9,D} {20,S} +8 C u0 p0 c0 {5,D} {9,S} {22,S} +9 C u0 p0 c0 {7,D} {8,S} {21,S} +10 C u0 p0 c0 {6,D} {23,S} {24,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {10,S} + +C9H12R(18184) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} +5 C u0 p0 c0 {2,S} {8,S} {9,D} +6 C u1 p0 c0 {3,S} {4,S} {18,S} +7 C u0 p0 c0 {1,S} {8,D} {19,S} +8 C u0 p0 c0 {5,S} {7,D} {20,S} +9 C u0 p0 c0 {5,D} {21,S} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 R u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} + +C9H13(26444) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {6,S} {10,S} +3 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {3,S} {13,S} {14,S} +5 C u0 p0 c0 {1,S} {8,S} {15,S} {16,S} +6 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} +7 C u0 p0 c0 {1,S} {9,D} {21,S} +8 C u1 p0 c0 {5,S} {9,S} {20,S} +9 C u0 p0 c0 {7,D} {8,S} {22,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {9,S} + +C9H12R(18180) +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {5,S} {7,S} {14,S} {15,S} +4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {1,S} {3,S} {8,D} +6 C u1 p0 c0 {2,S} {4,S} {19,S} +7 C u0 p0 c0 {3,S} {9,D} {20,S} +8 C u0 p0 c0 {5,D} {9,S} {22,S} +9 C u0 p0 c0 {7,D} {8,S} {21,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 R u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {8,S} + +C9H12R(39454) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {7,S} {16,S} {17,S} +5 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} +6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +7 C u0 p0 c0 {4,S} {5,S} {9,D} +8 C u1 p0 c0 {2,S} {9,S} {21,S} +9 C u0 p0 c0 {7,D} {8,S} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 R u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} + +C10H13R(18540) +1 C u0 p0 c0 {2,S} {5,S} {7,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {5,S} {8,S} {14,S} {15,S} +4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {1,S} {3,S} {9,D} +6 C u0 p0 c0 {2,S} {4,S} {10,D} +7 C u0 p0 c0 {1,S} {8,D} {20,S} +8 C u0 p0 c0 {3,S} {7,D} {19,S} +9 C u0 p0 c0 {5,D} {21,S} {22,S} +10 C u0 p0 c0 {6,D} {23,S} {24,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 R u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {9,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {10,S} + +C12H16(18724) +1 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} +3 C u0 p0 c0 {5,S} {8,S} {17,S} {18,S} +4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} +5 C u0 p0 c0 {1,S} {3,S} {9,D} +6 C u0 p0 c0 {4,S} {7,D} {11,S} +7 C u0 p0 c0 {2,S} {6,D} {23,S} +8 C u0 p0 c0 {3,S} {10,D} {22,S} +9 C u0 p0 c0 {5,D} {10,S} {25,S} +10 C u0 p0 c0 {8,D} {9,S} {24,S} +11 C u0 p0 c0 {6,S} {12,D} {26,S} +12 C u0 p0 c0 {11,D} {27,S} {28,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {7,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {12,S} + +C10H13L(22766) +1 C u0 p0 c0 {2,S} {3,S} {6,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} +4 C u0 p0 c0 {8,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {2,S} {9,S} {10,D} +6 C u0 p0 c0 {1,S} {9,D} {19,S} +7 C u0 p0 c0 {3,S} {8,D} {20,S} +8 C u0 p0 c0 {4,S} {7,D} {21,S} +9 C u0 p0 c0 {5,S} {6,D} {22,S} +10 C u0 p0 c0 {5,D} {23,S} {24,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 L u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {10,S} + diff --git a/ipython/fragment_reattachment_example.ipynb b/ipython/fragment_reattachment_example.ipynb new file mode 100644 index 0000000000..9c45b4cc7a --- /dev/null +++ b/ipython/fragment_reattachment_example.ipynb @@ -0,0 +1,1207 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "d3349900", + "metadata": {}, + "source": [ + "# Random Reattachment of Fragment Species from Automatic Fragment Modeling (AFM) Simulation Results\n", + "AFM allows users to construct mechanisms for large molecules with RMG by breaking them up into two or more fragments. Running simulations with a fragment mechanism is much the same as any other mechanism. However, the species profiles obtained are for individual fragments that may be attached in many combinations. In this notebook, we give an example of random reattachment of fragments produced from polymer pyrolysis, which allows the user to obtain important observables such as molecular weight distribution or the approximate concentration of specific species composed of multiple fragments." + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "id": "285ac939-646d-46e6-a5b9-286661e1ad18", + "metadata": {}, + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "WARNING:root:No normalization for BCUT2D_MWHI\n", + "WARNING:root:No normalization for BCUT2D_MWLOW\n", + "WARNING:root:No normalization for BCUT2D_CHGHI\n", + "WARNING:root:No normalization for BCUT2D_CHGLO\n", + "WARNING:root:No normalization for BCUT2D_LOGPHI\n", + "WARNING:root:No normalization for BCUT2D_LOGPLOW\n", + "WARNING:root:No normalization for BCUT2D_MRHI\n", + "WARNING:root:No normalization for BCUT2D_MRLOW\n", + "WARNING:root:No normalization for AvgIpc\n" + ] + } + ], + "source": [ + "import sys\n", + "rmgpy_loc = \"/home/gridsan/adoner/RMG-Py/\"\n", + "sys.path.append(rmgpy_loc)\n", + "from rmgpy.molecule.fragment import Fragment\n", + "from rmgpy.tools.canteramodel import Cantera\n", + "from rmgpy.chemkin import load_chemkin_file\n", + "from rmgpy.molecule.fragment_utils import match_sequences, match_concentrations_with_same_sums, match_concentrations_with_different_sums, shuffle, flatten, merge_frag_to_frag, merge_frag_list\n", + "import re\n", + "import os\n", + "import numpy as np\n", + "import matplotlib.pyplot as plt" + ] + }, + { + "cell_type": "markdown", + "id": "045d6ebe-c055-42bc-ae55-643599631ea3", + "metadata": {}, + "source": [ + "## Defining the class FragList\n", + "The `FragList` object stores molecule and fragment concentrations from a single time step and provides a series of functions that groups fragments to form molecules. The procedure is described later on in this notebook." + ] + }, + { + "cell_type": "code", + "execution_count": 7, + "id": "9802cd48-4a7b-4244-acf8-cba0fc1aab69", + "metadata": {}, + "outputs": [], + "source": [ + "class FragList():\n", + " '''\n", + " to instantiate a FragList:\n", + " fl = Fraglist(frag_list)\n", + " where frag_list is a list of tuples of fragments and their amounts\n", + " '''\n", + "\n", + " def __init__(self, frag_list):\n", + " self.raw_fragment_output = frag_list\n", + "\n", + " def sort(self):\n", + " '''\n", + " sort a FragList into\n", + " general_R_list - 2R fragments\n", + " general_L_list - 2L fragments\n", + " rr_ll_list - 2R or 2L fragments\n", + " r_l_moles - 1R and 1L fragments\n", + " multi_label_frag_3 - fragments with 3 cutting labels\n", + " multi_label_frag_4 - fragments with 4 cutting labels\n", + "\n", + " note: in our experience fragments with more than 4 cutting labels has never happened, but a warning will be printed if it does happen\n", + " '''\n", + " moles_remain = []\n", + " one_R_dict = {}\n", + " one_L_dict = {}\n", + " general_R_list = []\n", + " general_L_list = []\n", + " rr_ll_list = []\n", + " r_l_moles = []\n", + " multi_label_frag_3 = []\n", + " multi_label_frag_4 = []\n", + "\n", + " for i, item in enumerate(self.raw_fragment_output):\n", + " frag, amt = item\n", + " if amt > 1e-6 and '[' not in frag:\n", + " count_of_L_labels = len(re.findall(r'L', frag))\n", + " count_of_R_labels = len(re.findall(r'R', frag))\n", + " count_of_cutting_labels = count_of_L_labels + count_of_R_labels\n", + " if count_of_R_labels == 0 and count_of_L_labels == 0:\n", + " moles_remain.append((frag, amt))\n", + " elif count_of_R_labels == 1 and count_of_L_labels == 0:\n", + " one_R_dict[frag] = amt\n", + " elif count_of_R_labels == 2 and count_of_L_labels == 0:\n", + " general_R_list.append((frag, amt * 2))\n", + " rr_ll_list.append(frag)\n", + " elif count_of_R_labels == 0 and count_of_L_labels == 1:\n", + " one_L_dict[frag] = amt\n", + " elif count_of_R_labels == 0 and count_of_L_labels == 2:\n", + " general_L_list.append((frag, amt * 2))\n", + " rr_ll_list.append(frag)\n", + " elif count_of_R_labels == 1 and count_of_L_labels == 1:\n", + " r_l_moles.append((frag, amt))\n", + " else:\n", + " if count_of_cutting_labels == 3:\n", + " multi_label_frag_3.append(\n", + " (frag, amt)) # 2R1L, 1R2L, 3R, 3L\n", + " elif count_of_cutting_labels == 4:\n", + " multi_label_frag_4.append((frag, amt))\n", + " else:\n", + " print(\n", + " f\"Warning! {count_of_cutting_labels} cutting labels in {frag}\")\n", + " self.R1dict=one_R_dict\n", + " self.L1dict=one_L_dict\n", + " self.Rlist=general_R_list\n", + " self.Llist=general_L_list\n", + " self.RRLLlist=rr_ll_list\n", + " self.RLlist=r_l_moles\n", + " self.CL3=multi_label_frag_3\n", + " self.CL4=multi_label_frag_4\n", + " self.molesremain=moles_remain\n", + "\n", + " def random_pick_frag(target_dict):\n", + " '''\n", + " argument(s): target_dict - dictionary where key = species smiles (fragment or molecule), value = moles\n", + " returns: tuple of randomly picked (fragment with 1 cutting label, moles)\n", + "\n", + " choice is weighted by mole fraction of each fragment\n", + " '''\n", + " import random\n", + " import re\n", + " frag_dict_list=[x for x in target_dict.items() if len(\n", + " re.findall(r'[LR]', x[0])) == 1]\n", + " sum_dict=sum([x[1] for x in frag_dict_list])\n", + " frag_dict_prob=[x[1] / sum_dict for x in frag_dict_list]\n", + " item=np.random.choice(frag_dict_list, 1, p = frag_dict_prob)\n", + "\n", + " return item\n", + "\n", + " def pair_frag(amount, target_dict):\n", + " '''\n", + " argument(s): amount - maximum amount of fragments in one pair\n", + " target_dict - dictionary of species smiles and moles\n", + " returns: the target_dict with 1 randomly chosen 1-cutting label fragment fully paired with other randomly chosen 1-cutting label fragments\n", + " '''\n", + " additional_frag_list=[]\n", + " frag1=FragList.random_pick_frag(target_dict)\n", + "\n", + " if target_dict[frag1] >= amount:\n", + " target_dict[frag1] -= amount\n", + " additional_frag_list.append((frag1, amount))\n", + "\n", + " else:\n", + " remain=amount - target_dict[frag1]\n", + " additional_frag_list.append((frag1, amount))\n", + " target_dict[frag1]=0\n", + "\n", + " while remain > 0:\n", + " frag1=FragList.random_pick_frag(target_dict)\n", + "\n", + " if target_dict[frag1] >= remain:\n", + " target_dict[frag1] -= remain\n", + " additional_frag_list.append((frag1, remain))\n", + " remain=0\n", + "\n", + " else:\n", + " frag_amt=target_dict[frag1]\n", + " target_dict[frag1]=0\n", + " additional_frag_list.append((frag1, frag_amt))\n", + " remain=remain - frag_amt\n", + " return additional_frag_list\n", + "\n", + " def pair_CL4s(self):\n", + " '''\n", + " pairs all 4-cutting label fragments with other randomly picked 1-cutting label fragments, creating 3-cutting label fragments\n", + " '''\n", + "\n", + " for species, amount in self.CL4: # 4R, 3R1L, 2R2L, 1R3L, 4L\n", + " ount_of_R_labels=len(re.findall(r'R', species))\n", + " count_of_L_labels=len(re.findall(r'L', species))\n", + " if count_of_R_labels == 4 and count_of_L_labels == 0:\n", + " paired_frag_list=FragList.pair_frag(amount, self.L1dict)\n", + " for frag_amt in paired_frag_list:\n", + " frag=frag_amt[0]\n", + " amt=frag_amt[1]\n", + " frag1=frag # 1L\n", + " frag2=species # 4R\n", + " frag_new=FragList.merge_frag_to_frag(frag1, frag2, 'R') # L,R,R -> 3\n", + " self.CL3.append((frag_new, amt))\n", + "\n", + " elif count_of_R_labels == 0 and count_of_L_labels == 4:\n", + " paired_frag_list = FragList.pair_frag(amount, self.R1dict)\n", + " for frag_amt in paired_frag_list:\n", + " frag = frag_amt[0]\n", + " amt = frag_amt[1]\n", + " frag1 = frag # 1R\n", + " frag2 = species # 4L\n", + " frag_new = FragList.merge_frag_to_frag(frag2, frag1, 'R') # L,R,R -> 3L\n", + " self.CL3.append((frag_new, amt))\n", + "\n", + " elif count_of_R_labels == 2 and count_of_L_labels == 2:\n", + " paired_frag_list = FragList.pair_frag(amount, self.L1dict)\n", + " for frag_amt in paired_frag_list:\n", + " frag = frag_amt[0]\n", + " amt = frag_amt[1]\n", + " frag1 = frag # 1L\n", + " frag2 = species # 2R2L\n", + " frag_new = FragList.merge_frag_to_frag(frag1, frag2, 'R') # L,R,R -> 1R2L\n", + " self.CL3.append((frag_new, amt))\n", + "\n", + " elif count_of_R_labels == 3 and count_of_L_labels == 1:\n", + " paired_frag_list = FragList.pair_frag(amount, self.R1dict)\n", + " for frag_amt in paired_frag_list:\n", + " frag = frag_amt[0]\n", + " amt = frag_amt[1]\n", + " frag1 = frag # 1R\n", + " frag2 = species # 3R1L\n", + " frag_new = FragList.merge_frag_to_frag(frag2, frag1, 'R') # L,R,R -> 3R\n", + " self.CL3.append((frag_new, amt))\n", + "\n", + " elif count_of_R_labels == 1 and count_of_L_labels == 3:\n", + " paired_frag_list = FragList.pair_frag(amount, self.L1dict)\n", + " for frag_amt in paired_frag_list:\n", + " frag = frag_amt[0]\n", + " amt = frag_amt[1]\n", + " frag1 = frag # 1L\n", + " frag2 = species # 1R3L\n", + " frag_new = FragList.merge_frag_to_frag(frag1, frag2, 'R') # L,R,R -> 3L\n", + " self.CL3.append((frag_new, amt))\n", + "\n", + " def pair_CL3s(self):\n", + " '''\n", + " pairs all 3-cutting label fragments with other randomly picked 1-cutting label fragments, creating 2-cutting label fragments\n", + " '''\n", + "\n", + " for species, amount in self.CL3:\n", + " count_of_R_labels = len(re.findall(r'R', species))\n", + " count_of_L_labels = len(re.findall(r'L', species))\n", + " if count_of_R_labels == 2 and count_of_L_labels == 1:\n", + " paired_frag_list = FragList.pair_frag(amount, self.R1dict)\n", + " for frag_amt in paired_frag_list:\n", + " frag = frag_amt[0]\n", + " amt = frag_amt[1]\n", + " frag1 = frag # 1R\n", + " frag2 = species # 2R1L\n", + " frag_new = FragList.merge_frag_to_frag(frag2, frag1, 'R') # L,R,R\n", + " self.Rlist.append((frag_new, amt * 2))\n", + " self.RRLLlist.append(frag_new)\n", + "\n", + " elif count_of_R_labels == 1 and count_of_L_labels == 2:\n", + " paired_frag_list = FragList.pair_frag(amount, self.L1dict)\n", + " for frag_amt in paired_frag_list:\n", + " frag = frag_amt[0]\n", + " amt = frag_amt[1]\n", + " frag1 = frag # 1L\n", + " frag2 = species # 1R2L\n", + " frag_new = FragList.merge_frag_to_frag(frag1, frag2, 'R') # L,R,R\n", + " self.Llist.append((frag_new, amt * 2))\n", + " self.RRLLlist.append(frag_new)\n", + "\n", + " elif count_of_R_labels == 3 and count_of_L_labels == 0:\n", + " paired_frag_list = FragList.pair_frag(amount, self.L1dict)\n", + " for frag_amt in paired_frag_list:\n", + " frag = frag_amt[0]\n", + " amt = frag_amt[1]\n", + " frag1 = frag # 1L\n", + " frag2 = species # 3R\n", + " frag_new = FragList.merge_frag_to_frag(frag1, frag2, 'R') # L,R,R\n", + " self.Rlist.append((frag_new, amt * 2))\n", + " self.RRLLlist.append(frag_new)\n", + "\n", + " # 3L\n", + " elif count_of_R_labels == 0 and count_of_L_labels == 3:\n", + " paired_frag_list = FragList.pair_frag(amount, self.R1dict)\n", + " for frag_amt in paired_frag_list:\n", + " frag = frag_amt[0]\n", + " amt = frag_amt[1]\n", + " frag1 = frag # 1R\n", + " frag2 = species # 3L\n", + " frag_new = FragList.merge_frag_to_frag(frag2, frag1, 'R') # L,R,R\n", + " self.Llist.append((frag_new, amt * 2))\n", + " self.RRLLlist.append(frag_new)\n", + "\n", + " def update_lists(self):\n", + " '''\n", + " adds the 1-cuttinglabel fragments remaining after pairing 4- and 3-cutting label fragments to their corresponding list\n", + " '''\n", + " for one_R_frag, amt in self.R1dict.items():\n", + " self.Rlist.append((one_R_frag, amt))\n", + " for one_L_frag, amt in self.L1dict.items():\n", + " self.Llist.append((one_L_frag, amt))\n", + "\n", + " def grind(conc, size):\n", + " '''\n", + " Split fragment concentrations into several repeating concentration units with specified size\n", + " '''\n", + " grinded_conc = []\n", + " for label, c in conc:\n", + " times = int(c / size)\n", + " grinded_conc.extend([(label, size)] * times)\n", + "\n", + " if c - size * times > 0:\n", + " grinded_conc.append((label, c - size * times))\n", + "\n", + " return grinded_conc\n", + "\n", + "\n", + " def grind_endcaps(self, grindsize=1, repeats=1):\n", + " '''\n", + " splits each fragment concentration in to many subconcentrations of a maximum of grindsize\n", + " '''\n", + " print('grinding endcaps to {}'.format(grindsize))\n", + " self.repeats = repeats\n", + " if self.repeats == 1:\n", + " self.grindsize = grindsize\n", + " seed = np.random.randint(0, 100)\n", + " grmoles = FragList.grind(self.Rlist, self.grindsize)\n", + " glmoles = FragList.grind(self.Llist, self.grindsize)\n", + " self.glmoles = FragList.shuffle(glmoles, seed)\n", + " self.grmoles = FragList.shuffle(grmoles, seed+1)\n", + " else:\n", + " print('repeats > 1 not supported')\n", + "\n", + " def pair_endcaps(self):\n", + " '''\n", + " randomly pairs subconcentrations of endcaps and assigns the correct amount for each pair\n", + " 2L and 2R fragments will be paired with 2 1-cuttinglabel fragments\n", + " the remaining fragment subconcentrations are middle pieces\n", + " '''\n", + " matches = FragList.match_concentrations_with_same_sums(self.glmoles,\n", + " self.grmoles,\n", + " rtol=1e-3)\n", + " self.endcaps = []\n", + " self.middles = []\n", + " for match in matches:\n", + " pair = match[0]\n", + " value = match[1]\n", + " if value > 0.0:\n", + " lfrag, rfrag = pair\n", + " if lfrag not in self.RRLLlist:\n", + " if rfrag not in self.RRLLlist:\n", + " self.endcaps.append((pair, value))\n", + " elif rfrag in self.RRLLlist:\n", + " self.endcaps.append(((lfrag, rfrag, lfrag), value/2))\n", + " else:\n", + " raise Error\n", + " elif lfrag in self.RRLLlist:\n", + " if rfrag not in self.RRLLlist:\n", + " self.endcaps.append(((rfrag, lfrag, rfrag), value/2))\n", + " elif rfrag in self.RRLLlist:\n", + " self.middles.append((pair, value/2))\n", + " else:\n", + " raise Error\n", + " else:\n", + " raise Error\n", + "\n", + " def grind_middles(self):\n", + " '''\n", + " grinds the middle 1L1R fragments into subconcentrations\n", + " the same grindsize is used as for the endcaps\n", + " '''\n", + " print('grinding middle pieces to {}'.format(self.grindsize))\n", + " if self.repeats == 1:\n", + " grinded_r_l_moles = FragList.grind(self.RLlist, self.grindsize)\n", + " seed = np.random.randint(0, 100)\n", + " self.middles = self.middles + \\\n", + " FragList.shuffle(grinded_r_l_moles, seed)\n", + " else:\n", + " print('repeats > 1 not supported')\n", + "\n", + " def distribute_middles(self):\n", + " '''\n", + " loop through the middle pieces\n", + " randomly pick an endcap pair to add to\n", + " repeat until no more middle pieces \n", + " '''\n", + " import random\n", + " sys.setrecursionlimit(15000)\n", + " r_l_frag_distri_amt = [0 for i in range(len(self.endcaps))]\n", + " r_l_frag_distri_dict = [{} for i in range(len(self.endcaps))]\n", + " for i, r_l_tup in enumerate(self.middles):\n", + " r_l_frag = r_l_tup[0]\n", + " r_l_frag_amount = r_l_tup[1]\n", + " rand_idx = random.randrange(len(self.endcaps))\n", + " threshold = 1e-15\n", + " while self.endcaps[rand_idx][1] <= threshold:\n", + " rand_idx = random.randrange(len(self.endcaps))\n", + " r_l_frag_distri_amt[rand_idx] += r_l_frag_amount\n", + " r_l_dict = r_l_frag_distri_dict[rand_idx]\n", + " if r_l_frag in r_l_dict.keys():\n", + " r_l_dict[r_l_frag] += r_l_frag_amount\n", + " else:\n", + " r_l_dict[r_l_frag] = r_l_frag_amount\n", + " matches_random = []\n", + " for i in range(len(self.endcaps)):\n", + " pair = self.endcaps[i]\n", + " if r_l_frag_distri_dict[i].keys():\n", + " r_l_matched = []\n", + " for r_l_frag, amt in r_l_frag_distri_dict[i].items():\n", + " r_l_matched.append((r_l_frag, amt))\n", + " match_list = FragList.match_concentrations_with_different_sums([\n", + " pair], r_l_matched)\n", + " for tups in match_list:\n", + " matches_random.append(tups)\n", + " else: \n", + " matches_random.append(pair)\n", + " flattened_matches_random = [\n", + " (tuple(FragList.flatten(m[0])), m[1]) for m in matches_random]\n", + "\n", + " self.grouped = []\n", + "\n", + " for non_cut_mole, val in self.molesremain:\n", + " self.grouped.append(((non_cut_mole, ), val))\n", + "\n", + " self.grouped.extend(flattened_matches_random)\n", + "\n", + " def get_mwd(self, bins=10, fname='mwd.png'):\n", + " '''\n", + " loop through molecules i.e. grouped fragments\n", + " calculate molecular weight\n", + " create histogram of molecular weights, weighted by molar amount\n", + " store histogram data in histdata\n", + " '''\n", + " self.mwd_amts = [x[1] for x in self.grouped]\n", + " self.mwd_mws = []\n", + " for fraglist, amt in self.grouped:\n", + " mw = sum([Fragment().from_smiles_like_string(\n", + " frag).get_molecular_weight()*1000 for frag in fraglist])\n", + " self.mwd_mws.append(mw)\n", + "\n", + " self.histdata = plt.hist(\n", + " self.mwd_mws, bins=bins, weights=self.mwd_amts)\n", + " plt.xlabel(\"Molecular Weight (g/mol)\")\n", + " plt.ylabel(\"Moles\")\n", + "\n", + " def reattach(self, grindsize = 1):\n", + " '''\n", + " this parent function combines the steps of reattachment into one\n", + " '''\n", + " self.sort() # sort the fragments by number and type of cutting labels\n", + " self.pair_CL4s() # reattach 4-cutting label fragments to make 3-cutting label fragments\n", + " self.pair_CL3s() # reattach 3-cutting label fragments to make 2-cutting label fragments\n", + " self.update_lists() # add 1-cutting label fragments to either Rlist or Llist\n", + " self.grind_endcaps(grindsize=grindsize) # grind the concentrations of fragments into smaller sub-concentrations\n", + " self.pair_endcaps() # pair together 1R and 1L fragments to make endcap pairs\n", + " self.grind_middles() # grind the concentrations of middle LR fragments into smaller sub-concentrations of same size as above\n", + " self.distribute_middles() # randomly select an endcap pair for each middle LR fragment\n", + " return self\n", + "\n" + ] + }, + { + "cell_type": "markdown", + "id": "b310e4f2-7770-45d8-8b67-1dceb2ab85af", + "metadata": {}, + "source": [ + "## 1. Set up the simulation...\n", + "- load the mechanism\n" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "id": "9d5bd8fb-2a97-487b-8cc2-e1349f5612e1", + "metadata": {}, + "outputs": [], + "source": [ + "working_dir = os.getcwd()\n", + "chemkin_path = os.path.join(working_dir, 'data/chem_annotated.inp')\n", + "species_dict_path = os.path.join(working_dir, 'data/species_dictionary.txt')\n", + "results_path = os.path.join(working_dir, 'results')\n", + "if not os.path.exists(results_path):\n", + " os.mkdir(results_path)\n", + "species_list, reaction_list = load_chemkin_file(\n", + " chemkin_path, species_dict_path)\n", + "species_dict = {}\n", + "for i, spe in enumerate(species_list):\n", + " species_dict[spe.to_chemkin()] = spe" + ] + }, + { + "cell_type": "markdown", + "id": "49e23b51", + "metadata": {}, + "source": [ + "- specify starting species and conditions\n" + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "id": "2f9f50fc-eba0-4156-8d87-1ed68294560d", + "metadata": {}, + "outputs": [], + "source": [ + "RC10L = species_dict['RC10L(1)']\n", + "LC10 = species_dict['LC10(3)']\n", + "RC10 = species_dict['RC10(2)']\n", + "reactorTypeList = ['IdealGasConstPressureTemperatureReactor']\n", + "molFracList = [{RC10: 1,\n", + " RC10L: 160,\n", + " LC10: 1}]\n", + "Tlist = ([725.0], 'K')\n", + "Plist = ([1.0], 'bar')\n", + "# Vlist = ([1], 'm3')\n", + "reactionTimeList = ([1], 'h')" + ] + }, + { + "cell_type": "markdown", + "id": "a028445f-cf98-4ccc-a9e0-bcaddf78ad23", + "metadata": {}, + "source": [ + "- run the simulation" + ] + }, + { + "cell_type": "code", + "execution_count": 5, + "id": "6d69f465-2eff-4549-b9af-9531d77de360", + "metadata": {}, + "outputs": [], + "source": [ + "job = Cantera(species_list=species_list,\n", + " reaction_list=reaction_list, output_directory='temp_detailed')\n", + "job.load_model()\n", + "job.generate_conditions(reactorTypeList, reactionTimeList,\n", + " molFracList, Tlist, Plist)\n", + "all_data = job.simulate()" + ] + }, + { + "cell_type": "markdown", + "id": "1f22f999-4324-4228-8f5c-6adda266c336", + "metadata": {}, + "source": [ + "- get the simulation results" + ] + }, + { + "cell_type": "code", + "execution_count": 6, + "id": "100d1e81-0c4a-499d-bb45-63ed17fc605c", + "metadata": {}, + "outputs": [], + "source": [ + "time, dataList, _, _ = all_data[0]\n", + "T_data = np.array(dataList[0].data)\n", + "P_data = np.array(dataList[1].data)\n", + "V_data = np.array(dataList[2].data)\n", + "total_moles = P_data/8.314/T_data\n", + "total_moles_t0 = total_moles[0]\n", + "total_moles_tf = total_moles[-1]\n", + "T = Tlist[0][0]\n", + "t = reactionTimeList[0][0]" + ] + }, + { + "cell_type": "markdown", + "id": "2c5024e4-e5b5-4e05-b6b2-c7156a743e68", + "metadata": {}, + "source": [ + "## 2. Random Reattachment Procedure\n", + "- make a list of tuples of each fragment species and its final concentration" + ] + }, + { + "cell_type": "code", + "execution_count": 7, + "id": "2082ed31-adaf-4346-bcd2-9ff09666faed", + "metadata": {}, + "outputs": [], + "source": [ + "moles_dict = {} # key: Chemkin name of fragments, value: moles of fragsments at t_final\n", + "for i, mf in enumerate(dataList[6:]):\n", + " spe = species_dict[mf.label].smiles\n", + " moles_dict[spe] = max(mf.data[-1]*total_moles_tf, 0)\n", + "frag_list = list(moles_dict.items())" + ] + }, + { + "cell_type": "markdown", + "id": "a07b1ad7-303e-49fb-a567-54644cff2bb0", + "metadata": {}, + "source": [ + "- The following steps describe the role of each function in the `FragList` class.\n", + "\n", + " 1. The `FragList` object is instantiated with the list of tuples made in the previous cell.\n", + "\n", + " 2. The `FragList.sort()` function categorizes the fragments by the number of cutting labels.\n", + "\n", + " 3. The `FragList.pair_CL4s()` function pairs fragments with 4 cutting labels with fragments with 1 cutting label to give fragments with 3 cutting labels.\n", + "\n", + " 4. The `FragList.pair_CL3s()` function pairs fragments with 3 cutting labels with fragments with 1 cutting label to give fragments with 2 cutting labels (either RR, RL, or LL fragments).\n", + "\n", + " 5. The `FragList.update_lists()` function adds any remainig fragments with one cutting label to a list of fragments with R cutting labels or a list of fragments with L cutting labels.\n", + "\n", + " 6. The `FragList.grind_endcaps()` function divides the fragments with 1 cutting label into smaller concentrations (no larger than the `grindsize` variable) to maximize the number of combinations.\n", + "\n", + " 7. The `FragList.pair_endcaps()` function pairs fragments with 2 of the same cutting label (e.g., LL and RR fragments) with a fragment with 1 cutting label. Then, each subconcentration of fragments with 1 R cutting label is randomly paired to a subconcentration of fragments with 1 L cutting label. These pairs will be the ends of the molecule.\n", + "\n", + " 8. The `FragList.grind_middles()` function divides the remaining fragments with 2 cutting labels (only LR fragments) into smaller concentrations (no larger than the `grindsize` variable) to maximize the number of combinations. \n", + "\n", + " 9. The `FragList.distribute_middles()` function loops through all LR fragments and randomly assigns them to an endcap pair from step 7.\n", + "\n", + " 10. the `FragList.get_mwd()` function plots the histogram of molecular weights of the reattached molecules generated in the previous steps and saves its data under the property `FragList.histdata`.\n", + " \n", + "- Random reattachment will be repeated 10 times with a new random seed each time, which will allow us to examine the repeatability of reattachment.\n" + ] + }, + { + "cell_type": "code", + "execution_count": 8, + "id": "ebe147a1-ad99-4320-8813-45b2141353f8", + "metadata": { + "tags": [] + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "grinding endcaps to 0.001\n", + "grinding middle pieces to 0.001\n", + "grinding endcaps to 0.001\n", + "grinding middle pieces to 0.001\n", + "grinding endcaps to 0.001\n", + "grinding middle pieces to 0.001\n" + ] + }, + { + "data": { + "image/png": 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", + "text/plain": [ + "
" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "%matplotlib inline\n", + "hdl = []\n", + "hdl = []\n", + "for i in range(3): \n", + " fl = FragList(frag_list)\n", + " fl.reattach(grindsize=0.001)\n", + " fl.get_mwd(bins=range(0, 501, 15))\n", + " hdl.append(fl.histdata) # save histogram data for repeatability analysis\n", + "\n" + ] + }, + { + "cell_type": "markdown", + "id": "becf89d3-7918-4aa1-bffb-008a530f2069", + "metadata": {}, + "source": [ + "# 3. Analyze Data\n", + "- Examine repeatability of random reattachment by overlaying the 10 random reattachment trials from above\n", + "\n", + "- Hint: If the repeatability is not satisfactory, try lowering the grindsize by an order of magnitude" + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "id": "83a0e056-66dd-4e79-b4b0-f6b74c518a58", + "metadata": {}, + "outputs": [ + { + "data": { + "image/png": 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", + "text/plain": [ + "
" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "for hd in hdl:\n", + " bins = hd[1]\n", + " counts = hd[0]\n", + " plt.hist(bins[:-1], bins, weights=counts, alpha=0.1, color='blue')" + ] + }, + { + "cell_type": "markdown", + "id": "b2c3d98a", + "metadata": {}, + "source": [ + "- List the molecules with the highest concentrations" + ] + }, + { + "cell_type": "code", + "execution_count": 10, + "id": "c2b46571-b217-4962-9578-631740a17466", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "species mole percent\n", + "C.......................................................................................................24.35%\n", + "C=CC....................................................................................................20.65%\n", + "miscillaneous large molecules............................................................................9.93%\n", + "CCC......................................................................................................1.39%\n", + "C=CC=CC..................................................................................................1.29%\n", + "C=CCCC...................................................................................................1.09%\n", + "C=CCC(C)C=CC.............................................................................................1.06%\n", + "C=C(C)C=CC...............................................................................................0.84%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC.....................................................................0.77%\n", + "CC=CCC...................................................................................................0.77%\n", + "C=C(C)CCC................................................................................................0.76%\n", + "CC=CC(C)CCC..............................................................................................0.74%\n", + "C=CCC(C)CC(C)CC(C)CCC....................................................................................0.71%\n", + "C=CCC(=C)C...............................................................................................0.67%\n", + "C=CCC=C..................................................................................................0.66%\n", + "C=C(C)C...................................................................................................0.6%\n", + "CC=CC(C)C=CC.............................................................................................0.59%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC...............................................................0.58%\n", + "CC1=CCCC1................................................................................................0.57%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC..................................................................0.55%\n", + "CCCCC....................................................................................................0.52%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC.................................................................0.5%\n", + "C=C(C)CC(C)C=CC..........................................................................................0.49%\n", + "CCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C........................................................................0.45%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC............................................................0.45%\n", + "C=CCC(C)CC(C)CC(C)CC(C)C=CC..............................................................................0.44%\n", + "CC=CC(C)C................................................................................................0.44%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC....................................................................0.42%\n", + "C=C(C)CC(C)CC(C)CC(C)CCC.................................................................................0.42%\n", + "C=CCC(C)CCC..............................................................................................0.41%\n", + "C=CCC(C)CC(=C)C..........................................................................................0.41%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC......................................................................0.4%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CCC................................................................................0.4%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC.......................................................0.4%\n", + "CCCC(C)CC(C)CC(C)C.......................................................................................0.39%\n", + "CC1=CC=CC1...............................................................................................0.39%\n", + "C=CCC(C)CC(C)CC(C)C......................................................................................0.38%\n", + "C=C(C)CC(C)CCC...........................................................................................0.38%\n", + "CC=CC(C)CC(C)CC(C)CCC....................................................................................0.38%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C.......................................................................0.37%\n", + "CCCC(C)CC(C)CC(C)CCC.....................................................................................0.37%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(=C)C.................................................................0.36%\n", + "CC=CC(C)CC(C)CC(C)CC(C)C.................................................................................0.35%\n", + "CCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC......................................................................0.35%\n", + "CC=CC(C)CC(C)C=CC........................................................................................0.34%\n", + "C=CCC(C)CC(C)CC(C)C=CC...................................................................................0.34%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC.................................................................0.33%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC................................................0.33%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC...................................................0.32%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)C=CC...........................................................................0.32%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC.....................................................0.31%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC=C....................................................................0.29%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(=C)C...........................................................................0.28%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C..................................................................0.28%\n", + "CCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C.........................................................0.28%\n", + "CC1=CCC=C1...............................................................................................0.28%\n", + "C=C(C)CC(C)CC(C)CC(C)C=CC................................................................................0.28%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC.................................................0.25%\n", + "C=CCC(C)CC(C)CC(C)CC=C...................................................................................0.25%\n", + "C=CCC(C)CC(C)C=CC........................................................................................0.25%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(=C)C............................................................0.24%\n", + "C=CCC(C)CC(C)CC(C)CC(=C)C................................................................................0.24%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC...............................................................0.24%\n", + "C=C(C)CC(C)CC(C)C=CC.....................................................................................0.24%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)C=CC.........................................................................0.24%\n", + "C=C(C)CC(C)C.............................................................................................0.22%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C....................................................................0.22%\n", + "C=CCC(C)C................................................................................................0.22%\n", + "C=C(C)CC(C)CC(C)CC(C)C...................................................................................0.21%\n", + "C=CCC(C)CC(C)CC(C)CC(C)C.................................................................................0.21%\n", + "C=CCC(C)CC=C.............................................................................................0.21%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC......................................................0.21%\n", + "C=C(C)CC(=C)C............................................................................................0.21%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C.........................................................0.2%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC...........................................................0.2%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC.............................................0.19%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC.............................................................0.19%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC................................................................0.19%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(=C)C..................................................0.19%\n", + "C1=CCCC1.................................................................................................0.18%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CCC...............................................................................0.18%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(=C)C.............................................................................0.17%\n", + "C=C(C)CC(C)CC(=C)C.......................................................................................0.17%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC..........................................................0.17%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(=C)C........................................................................0.17%\n", + "CCC=C(C)C................................................................................................0.17%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC..................................................0.16%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)C=CC.........................................................................0.16%\n", + "CCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC.......................................................0.16%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C...................................................0.16%\n", + "CC=CC(C)CC(C)CC(C)CC(C)C=CC..............................................................................0.16%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C..................................................................0.16%\n", + "CC=CC(C)CC(C)C...........................................................................................0.16%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC...........................................0.16%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC................................................0.15%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(=C)C.........................................................0.15%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(=C)C..............................................................0.14%\n", + "CC=CC(C)CC(C)CCC.........................................................................................0.14%\n", + "C=C......................................................................................................0.13%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(=C)C.............................................0.13%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CCC............................................................................0.12%\n", + "C1=CCC=C1................................................................................................0.12%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC..............................................0.12%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC=C..............................................................................0.11%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC.......................................................0.11%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC=C.....................................................0.11%\n", + "CCCC(C)C.................................................................................................0.11%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC......................................................................0.11%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C.....................................................0.11%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC=C................................................................0.1%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C..............................................................0.1%\n", + "C=CC=CCC=C................................................................................................0.1%\n", + "C=CCC(C)CC(C)C............................................................................................0.1%\n", + "CC=CC(C)=CCC..............................................................................................0.1%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC.........................................0.1%\n", + "CCC=C(C)CCC...............................................................................................0.1%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC.................................................0.09%\n", + "C=C(C)CC(C)=CCC..........................................................................................0.09%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C...............................................................0.09%\n", + "C=C(C)C=C(C)C............................................................................................0.09%\n", + "C=CCC(C)CC(C)CC(=C)C.....................................................................................0.09%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C..............................................0.09%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C...................................................0.09%\n", + "C=CC=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C....................................................................0.09%\n", + "C=CC=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC.................................................................0.09%\n", + "CC(C)C...................................................................................................0.09%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)C............................................................................0.09%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(=C)C..........................................0.09%\n", + "CC=CCC(C)CC(C)CC(C)C.....................................................................................0.09%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C................................................0.09%\n", + "C=CC=CCC(=C)C............................................................................................0.08%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC=C................................................0.08%\n", + "C=CC=CC=CC...............................................................................................0.08%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(=C)C......................................................................0.08%\n", + "C=C(C)CC(C)CC(C)C........................................................................................0.07%\n", + "CC=CC(C)CC(C)=CCC........................................................................................0.07%\n", + "CCC(C)CC(C)CC(C)C........................................................................................0.07%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC...........................................................0.07%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC...........................................0.07%\n", + "C=CC=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(=C)C..............................................................0.07%\n", + "CC=CC(C)C=C(C)C..........................................................................................0.07%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(=C)C...............................................0.07%\n", + "CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C.....................................................................0.07%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=C(C)C.................................................................0.07%\n", + "C=CC=C(C)C...............................................................................................0.06%\n", + "C=CCC(C)CC(C)CC=C........................................................................................0.06%\n", + "C=CCC(C)CC(C)CC(C)C=C(C)C................................................................................0.06%\n", + "C=CC=CCC(C)C=CC..........................................................................................0.06%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)=CCC...........................................................................0.06%\n", + "C=CC=CCC(C)CC(C)CC(C)CC(C)C=CC...........................................................................0.06%\n", + "C=CCC(C)CC(C)CC(C)CC(C)=CCC..............................................................................0.06%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)=CCC...............................................................0.05%\n", + "CC(C)CC(C)C..............................................................................................0.05%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC............................................0.05%\n", + "CC=CC(C)CCC(C)CC(C)CC(C)C................................................................................0.05%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=C(C)C............................................................0.05%\n", + "C=C(C)C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C.................................................................0.05%\n", + "C=C(C)CC(C)CC(C)CC(C)CCC(C)CC(C)CC(C)C...................................................................0.05%\n", + "C=C(C)C=CCCC.............................................................................................0.05%\n", + "C=CC=CCCC................................................................................................0.05%\n", + "C=CCC(C)CC(C)CC(C)CCC(C)CC(C)CC(C)C......................................................................0.05%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)C............................................................................0.05%\n", + "CC=CC(C)CC(C)CC(C)CC(C)=CCC..............................................................................0.05%\n", + 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"C=CC=CCCC=CC=C............................................................................................0.0%\n", + "CC(C)CCC(C)CC(C)CC(C)C....................................................................................0.0%\n", + "CC1=CC(C2C=C(C)CC2)CC1....................................................................................0.0%\n", + "C=CC=CCCC=C...............................................................................................0.0%\n", + "C=CCCC1=CC=CC1............................................................................................0.0%\n" + ] + } + ], + "source": [ + "results_dictionary = {}\n", + "for fraglist, amt in fl.grouped:\n", + " fraglist = [Fragment().from_smiles_like_string(x) for x in fraglist]\n", + " if len(fraglist) == 1:\n", + " new = fraglist[0].smiles\n", + " elif len(fraglist) < 6:\n", + " new = FragList.merge_frag_list(fraglist)[0].smiles\n", + " else:\n", + " new = 'miscillaneous large molecules'\n", + " if new in results_dictionary.keys():\n", + " results_dictionary[new] += amt\n", + " else:\n", + " results_dictionary[new] = amt\n", + "sorted_rd = sorted(results_dictionary.items(), key=lambda x: x[1])[::-1]\n", + "total = sum([x[1] for x in sorted_rd])\n", + "print('species'.ljust(80), 'mole percent'.rjust(30))\n", + "for x, y in sorted_rd:\n", + " print(str(x).ljust(80, '.') +\n", + " str(str(np.round(y/total*100, 2))+'%').rjust(30, '.'))" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "rmg_noj", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.7.12" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/rmgpy/molecule/fragment_utils.py b/rmgpy/molecule/fragment_utils.py new file mode 100644 index 0000000000..25fe5e5cb5 --- /dev/null +++ b/rmgpy/molecule/fragment_utils.py @@ -0,0 +1,312 @@ +from rmgpy.molecule.fragment import Fragment +from rmgpy.tools.canteramodel import Cantera +from rmgpy.chemkin import load_chemkin_file +import re +import os +import numpy as np +import matplotlib.pyplot as plt + + +def match_sequences(seq1, seq2, rtol=1e-6): + ''' + Given two lists (each item is int or float): + seq1 and seq2 with same sum, the method returns + matched indices and values. + Example: + seq1 = [1, 3, 1] + seq2 = [2, 1, 2] + return: [[(0,0),1], + [(1,0),1], + [(1,1),1], + [(1,2),1], + [(2,2),1]] + ''' + sum_diff = sum(seq2) - sum(seq1) + assert ( + np.isclose(sum(seq1), sum(seq2), rtol=rtol) + ), "seq1 has different sum (diff={0}) than seq2.".format(sum_diff) + + # force the sum to be same if the difference + # is small enough + if sum_diff >= 0: + seq1[-1] = seq1[-1] + sum_diff + else: + seq2[-1] = seq2[-1] - sum_diff + + # make cumulative sequences + cum_seq1 = np.cumsum(seq1) + cum_seq2 = np.cumsum(seq2) + + # add index tags two both cumulative seqs + pin1 = 0 + pin2 = 0 + matched_indices = [] + matched_cum_values = [] + while pin1 < len(cum_seq1) and pin2 < len(cum_seq2): + matched_indices.append((pin1, pin2)) + + if cum_seq1[pin1] > cum_seq2[pin2]: + matched_cum_values.append(cum_seq2[pin2]) + pin2 += 1 + elif cum_seq1[pin1] < cum_seq2[pin2]: + matched_cum_values.append(cum_seq1[pin1]) + pin1 += 1 + else: + matched_cum_values.append(cum_seq2[pin2]) + pin1 += 1 + pin2 += 1 + + # get matches + matches = [] + for i in range(len(matched_indices)): + matched_index_tup = matched_indices[i] + matched_cum_value = matched_cum_values[i] + if i == 0: + previous_cum_value = 0 + else: + previous_cum_value = matched_cum_values[i - 1] + + matches.append( + [matched_index_tup, matched_cum_value - previous_cum_value]) + + return matches + + +def match_concentrations_with_same_sums(conc1, conc2, rtol=1e-6): + '''match_concentrations_with_same_sums + Given two lists with each item to be a tuple + (species label, concentration) + conc1 and conc2 with same total concentrations, + the method returns matched species labels and + concentrations. + Example: + conc1 = [('a', 1), + ('b', 3), + ('c', 1)] + conc2 = [('x', 2), + ('y', 1), + ('z', 2)] + return: [(('a','x'),1), + (('b','x'),1), + (('b','y'),1), + (('b','z'),1), + (('c','z'),1)] + ''' + labels1 = [tup[0] for tup in conc1] + labels2 = [tup[0] for tup in conc2] + + seq1 = [tup[1] for tup in conc1] + seq2 = [tup[1] for tup in conc2] + + matches_seq = FragList.match_sequences(seq1, seq2, rtol) + + matches_conc = [] + for match_seq in matches_seq: + matched_label_index1 = match_seq[0][0] + matched_label_index2 = match_seq[0][1] + matched_value = match_seq[1] + + matched_label1 = labels1[matched_label_index1] + matched_label2 = labels2[matched_label_index2] + match_conc = ((matched_label1, matched_label2), matched_value) + matches_conc.append(match_conc) + return matches_conc + + +def match_concentrations_with_different_sums(conc1, conc2): + """ + Given two lists with each item to be a tuple + (species label, concentration) + conc1 and conc2 with different total concentrations, + the method returns matched species labels and + concentrations. + Example: + conc1 = [('a', 1), + ('b', 3), + ('c', 1)] + conc2 = [('x', 2), + ('y', 1), + ('z', 10)] + return: [(('a','x', 'z', 'z'),1), + (('b','x', 'z', 'z'),1), + (('b','y', 'z', 'z'),1), + (('b','z', 'z'),1), + (('c','z', 'z'),1)] + """ + labels1 = [tup[0] for tup in conc1] + labels2 = [tup[0] for tup in conc2] + + seq1 = [tup[1] for tup in conc1] + seq2 = [tup[1] for tup in conc2] + + matches_conc = [] + pin1 = 0 + pin2 = 0 + val1 = seq1[pin1] + val2 = seq2[pin2] + + while True: + if val1 > val2: + match = ((labels1[pin1], labels2[pin2]), val2) + matches_conc.append(match) + val1 = val1 - val2 + pin2 += 1 + if pin2 == len(seq2): + break + val2 = seq2[pin2] + elif val1 < val2: + match = ((labels1[pin1], labels2[pin2]), val1) + matches_conc.append(match) + val2 = val2 - val1 + pin1 += 1 + if pin1 == len(seq1): + break + val1 = seq1[pin1] + else: + match = ((labels1[pin1], labels2[pin2]), val1) + matches_conc.append(match) + pin1 += 1 + pin2 += 1 + if pin1 == len(seq1): + break + val1 = seq1[pin1] + if pin2 == len(seq2): + break + val2 = seq2[pin2] + + # if pin2 first reaches the end + # append all the remaining seq1 to matches_conc + if pin2 == len(seq2) and pin1 < len(seq1): + remain_conc1 = [(labels1[pin1], val1)] + conc1[(pin1 + 1):] + matches_conc.extend(remain_conc1) + + # if pin1 first reaches the end + # let matches_conc match with remaining seq2 + elif pin1 == len(seq1) and pin2 < len(seq2): + remain_conc2 = [(labels2[pin2], val2)] + conc2[(pin2 + 1):] + matches_conc = FragList.match_concentrations_with_different_sums( + matches_conc, remain_conc2 + ) + + # if pin1 and pin2 reach the ends at same time + # matches_conc is ready to return + return matches_conc + + +def shuffle(conc, seed=None): + """ + Randomly shuffle a list of fragments + """ + idx_arr = np.arange(len(conc)) + + if seed is not None: + np.random.seed(seed) + np.random.shuffle(idx_arr) + + return [conc[idx] for idx in idx_arr] + + +def flatten(combo): + """ + Given a combo nested `tuple`, e.g., + ((('LY', 'XR'), ('LWL', 'RUR')) + return a list of labels contained in + the combo ['LY', 'XR', 'LWL', 'RUR'] + """ + return_list = [] + for i in combo: + if isinstance(i, tuple): + return_list.extend(FragList.flatten(i)) + else: + return_list.append(i) + return return_list + + +# label should match the desired merging l/'abel on frag2 +def merge_frag_to_frag(frag1, frag2, label): + from rmgpy.molecule import Bond + from rmgpy.molecule.fragment import Fragment, CuttingLabel + + frag_spe1 = Fragment().from_smiles_like_string(frag1) + frag_spe2 = Fragment().from_smiles_like_string(frag2) + # find position of desired CuttingLabel + # need to find CuttingLabel on frag2 first + for vertex in frag_spe2.vertices: + if isinstance(vertex, CuttingLabel): + if vertex.symbol == label: + cut2 = vertex + + atom2 = list(cut2.edges.keys())[0] + frag_spe2.remove_atom(cut2) + break + + if cut2.symbol[0] == 'L': + Ctl = cut2.symbol.replace('L', 'R') + else: # that means this CuttingLabel is R something + + Ctl = cut2.symbol.replace('R', 'L') + + # merge to frag_spe1 + for vertex in frag_spe1.vertices: + if isinstance(vertex, CuttingLabel): + if vertex.symbol == Ctl: + cut1 = vertex + atom1 = list(cut1.edges.keys())[0] + frag_spe1.remove_atom(cut1) + break + + # new merged fragment + new_frag = frag_spe1.merge(frag_spe2) + new_frag.add_bond(Bond(atom1=atom1, atom2=atom2, order=1)) + new_frag = new_frag.copy(deep=True) + new_frag.update() + return new_frag # return Fragment obtl + + +def merge_frag_list(to_be_merged): + import os + # merges fragments in list from right to left + species_list = [] + ethylene = [] + newlist = [] + warnings = [] + + while len(to_be_merged) > 1: + + # second to last fragmentin list + frag1 = to_be_merged[-2].smiles + frag2 = to_be_merged[-1].smiles # last fragment in list + + if 'R' in frag1 and 'L' in frag2: + newfrag = FragList.merge_frag_to_frag(frag1, frag2, 'L') + + elif 'L' in frag1 and 'R' in frag2: + newfrag = FragList.merge_frag_to_frag(frag1, frag2, 'R') + + # warn user if last two fragments in list cannot be merged (no R/L + # combo to be made) + else: + print('Warning! Could not merge fragments {} and {}'.format( + frag1, frag2)) + + if 'L' in frag1 and 'L' in frag2: + newfrag = FragList.merge_frag_to_frag( + frag1.replace('L', 'R'), frag2, 'L') + if len(to_be_merged) > 2: + cut = len(to_be_merged) - 2 + newfraglist = to_be_merged[:cut] + + newfraglist.append(newfrag) + elif len(to_be_merged) == 2: + + newfraglist = [newfrag] + + to_be_merged = newfraglist + + to_be_merged = newfraglist + # newlist.append(newfraglist) # if done merging list, write final + # structure to list of smiles structures + + # print('{}% of fragments fully merged...'.format(np.round(100*(i+1)/len(flattened_matches_random)),1)) +# print(newfraglist) + return newfraglist