[ bondtypes ] ; ai aj funct r k C1 C2 1 1.3980e-01 3.1681e+05 ; C1 - C2 C1 C6 1 1.3980e-01 3.1681e+05 ; C1 - C6 C1 H1 1 1.0860e-01 3.3112e+05 ; C1 - H1 C2 C3 1 1.3980e-01 3.1681e+05 ; C2 - C3 C2 C7 1 1.4910e-01 2.2820e+05 ; C2 - C7 C3 C4 1 1.3980e-01 3.1681e+05 ; C3 - C4 C3 H2 1 1.0860e-01 3.3112e+05 ; C3 - H2 C4 C5 1 1.3980e-01 3.1681e+05 ; C4 - C5 C4 C9 1 1.4910e-01 2.2820e+05 ; C4 - C9 C5 C6 1 1.3980e-01 3.1681e+05 ; C5 - C6 C5 H3 1 1.0860e-01 3.3112e+05 ; C5 - H3 C6 C8 1 1.4910e-01 2.2820e+05 ; C6 - C8 C7 O1 1 1.2180e-01 5.4610e+05 ; C7 - O1 C7 N1 1 1.3790e-01 2.9807e+05 ; C7 - N1 N1 H4 1 1.0130e-01 4.4124e+05 ; N1 - H4 N1 C10 1 1.4620e-01 2.2075e+05 ; N1 - C10 C8 O2 1 1.2180e-01 5.4610e+05 ; C8 - O2 C8 N2 1 1.3790e-01 2.9807e+05 ; C8 - N2 N2 H5 1 1.0130e-01 4.4124e+05 ; N2 - H5 N2 C18 1 1.4620e-01 2.2075e+05 ; N2 - C18 C9 O3 1 1.2180e-01 5.4610e+05 ; C9 - O3 C9 N3 1 1.3790e-01 2.9807e+05 ; C9 - N3 N3 H6 1 1.0130e-01 4.4124e+05 ; N3 - H6 N3 C26 1 1.4620e-01 2.2075e+05 ; N3 - C26 C10 H7 1 1.0970e-01 3.1455e+05 ; C10 - H7 C10 H8 1 1.0970e-01 3.1455e+05 ; C10 - H8 C10 C11 1 1.5380e-01 1.9456e+05 ; C10 - C11 C11 H9 1 1.0970e-01 3.1455e+05 ; C11 - H9 C11 H10 1 1.0970e-01 3.1455e+05 ; C11 - H10 C11 C12 1 1.5380e-01 1.9456e+05 ; C11 - C12 C12 H11 1 1.0970e-01 3.1455e+05 ; C12 - H11 C12 H12 1 1.0970e-01 3.1455e+05 ; C12 - H12 C12 C13 1 1.5380e-01 1.9456e+05 ; C12 - C13 C13 H13 1 1.0970e-01 3.1455e+05 ; C13 - H13 C13 H14 1 1.0970e-01 3.1455e+05 ; C13 - H14 C13 C14 1 1.5380e-01 1.9456e+05 ; C13 - C14 C14 H15 1 1.0970e-01 3.1455e+05 ; C14 - H15 C14 H16 1 1.0970e-01 3.1455e+05 ; C14 - H16 C14 C15 1 1.5380e-01 1.9456e+05 ; C14 - C15 C15 H17 1 1.0970e-01 3.1455e+05 ; C15 - H17 C15 H18 1 1.0970e-01 3.1455e+05 ; C15 - H18 C15 C16 1 1.5380e-01 1.9456e+05 ; C15 - C16 C16 H19 1 1.0970e-01 3.1455e+05 ; C16 - H19 C16 H20 1 1.0970e-01 3.1455e+05 ; C16 - H20 C16 C17 1 1.5380e-01 1.9456e+05 ; C16 - C17 C17 H21 1 1.0970e-01 3.1455e+05 ; C17 - H21 C17 H22 1 1.0970e-01 3.1455e+05 ; C17 - H22 C17 H23 1 1.0970e-01 3.1455e+05 ; C17 - H23 C18 H24 1 1.0970e-01 3.1455e+05 ; C18 - H24 C18 H25 1 1.0970e-01 3.1455e+05 ; C18 - H25 C18 C19 1 1.5380e-01 1.9456e+05 ; C18 - C19 C19 H26 1 1.0970e-01 3.1455e+05 ; C19 - H26 C19 H27 1 1.0970e-01 3.1455e+05 ; C19 - H27 C19 C20 1 1.5380e-01 1.9456e+05 ; C19 - C20 C20 H28 1 1.0970e-01 3.1455e+05 ; C20 - H28 C20 H29 1 1.0970e-01 3.1455e+05 ; C20 - H29 C20 C21 1 1.5380e-01 1.9456e+05 ; C20 - C21 C21 H30 1 1.0970e-01 3.1455e+05 ; C21 - H30 C21 H31 1 1.0970e-01 3.1455e+05 ; C21 - H31 C21 C22 1 1.5380e-01 1.9456e+05 ; C21 - C22 C22 H32 1 1.0970e-01 3.1455e+05 ; C22 - H32 C22 H33 1 1.0970e-01 3.1455e+05 ; C22 - H33 C22 C23 1 1.5380e-01 1.9456e+05 ; C22 - C23 C23 H34 1 1.0970e-01 3.1455e+05 ; C23 - H34 C23 H35 1 1.0970e-01 3.1455e+05 ; C23 - H35 C23 C24 1 1.5380e-01 1.9456e+05 ; C23 - C24 C24 H36 1 1.0970e-01 3.1455e+05 ; C24 - H36 C24 H37 1 1.0970e-01 3.1455e+05 ; C24 - H37 C24 C25 1 1.5380e-01 1.9456e+05 ; C24 - C25 C25 H38 1 1.0970e-01 3.1455e+05 ; C25 - H38 C25 H39 1 1.0970e-01 3.1455e+05 ; C25 - H39 C25 H40 1 1.0970e-01 3.1455e+05 ; C25 - H40 C26 H41 1 1.0970e-01 3.1455e+05 ; C26 - H41 C26 H42 1 1.0970e-01 3.1455e+05 ; C26 - H42 C26 C27 1 1.5380e-01 1.9456e+05 ; C26 - C27 C27 H43 1 1.0970e-01 3.1455e+05 ; C27 - H43 C27 H44 1 1.0970e-01 3.1455e+05 ; C27 - H44 C27 C28 1 1.5380e-01 1.9456e+05 ; C27 - C28 C28 H45 1 1.0970e-01 3.1455e+05 ; C28 - H45 C28 H46 1 1.0970e-01 3.1455e+05 ; C28 - H46 C28 C29 1 1.5380e-01 1.9456e+05 ; C28 - C29 C29 H47 1 1.0970e-01 3.1455e+05 ; C29 - H47 C29 H48 1 1.0970e-01 3.1455e+05 ; C29 - H48 C29 C30 1 1.5380e-01 1.9456e+05 ; C29 - C30 C30 H49 1 1.0970e-01 3.1455e+05 ; C30 - H49 C30 H50 1 1.0970e-01 3.1455e+05 ; C30 - H50 C30 C31 1 1.5380e-01 1.9456e+05 ; C30 - C31 C31 H51 1 1.0970e-01 3.1455e+05 ; C31 - H51 C31 H52 1 1.0970e-01 3.1455e+05 ; C31 - H52 C31 C32 1 1.5380e-01 1.9456e+05 ; C31 - C32 C32 H53 1 1.0970e-01 3.1455e+05 ; C32 - H53 C32 H54 1 1.0970e-01 3.1455e+05 ; C32 - H54 C32 C33 1 1.5380e-01 1.9456e+05 ; C32 - C33 C33 H55 1 1.0970e-01 3.1455e+05 ; C33 - H55 C33 H56 1 1.0970e-01 3.1455e+05 ; C33 - H56 C33 H57 1 1.0970e-01 3.1455e+05 ; C33 - H57 [ angletypes ] ; ai aj ak funct theta cth C1 C2 C3 1 1.2002e+02 5.7572e+02 ; C1 - C2 - C3 C1 C2 C7 1 1.2033e+02 5.5564e+02 ; C1 - C2 - C7 C1 C6 C5 1 1.2002e+02 5.7572e+02 ; C1 - C6 - C5 C1 C6 C8 1 1.2033e+02 5.5564e+02 ; C1 - C6 - C8 C2 C1 C6 1 1.2002e+02 5.7572e+02 ; C2 - C1 - C6 C2 C1 H1 1 1.1988e+02 4.0752e+02 ; C2 - C1 - H1 C2 C3 C4 1 1.2002e+02 5.7572e+02 ; C2 - C3 - C4 C2 C3 H2 1 1.1988e+02 4.0752e+02 ; C2 - C3 - H2 C2 C7 O1 1 1.2260e+02 7.2132e+02 ; C2 - C7 - O1 C2 C7 N1 1 1.1525e+02 7.1463e+02 ; C2 - C7 - N1 C3 C2 C7 1 1.2033e+02 5.5564e+02 ; C3 - C2 - C7 C3 C4 C5 1 1.2002e+02 5.7572e+02 ; C3 - C4 - C5 C3 C4 C9 1 1.2033e+02 5.5564e+02 ; C3 - C4 - C9 C4 C3 H2 1 1.1988e+02 4.0752e+02 ; C4 - C3 - H2 C4 C5 C6 1 1.2002e+02 5.7572e+02 ; C4 - C5 - C6 C4 C5 H3 1 1.1988e+02 4.0752e+02 ; C4 - C5 - H3 C4 C9 O3 1 1.2260e+02 7.2132e+02 ; C4 - C9 - O3 C4 C9 N3 1 1.1525e+02 7.1463e+02 ; C4 - C9 - N3 C5 C4 C9 1 1.2033e+02 5.5564e+02 ; C5 - C4 - C9 C5 C6 C8 1 1.2033e+02 5.5564e+02 ; C5 - C6 - C8 C6 C1 H1 1 1.1988e+02 4.0752e+02 ; C6 - C1 - H1 C6 C5 H3 1 1.1988e+02 4.0752e+02 ; C6 - C5 - H3 C6 C8 O2 1 1.2260e+02 7.2132e+02 ; C6 - C8 - O2 C6 C8 N2 1 1.1525e+02 7.1463e+02 ; C6 - C8 - N2 C7 N1 H4 1 1.1755e+02 4.0752e+02 ; C7 - N1 - H4 C7 N1 C10 1 1.2069e+02 5.4643e+02 ; C7 - N1 - C10 O1 C7 N1 1 1.2305e+02 9.5228e+02 ; O1 - C7 - N1 N1 C10 H7 1 1.0888e+02 5.1463e+02 ; N1 - C10 - H7 N1 C10 H8 1 1.0888e+02 5.1463e+02 ; N1 - C10 - H8 N1 C10 C11 1 1.1161e+02 6.9622e+02 ; N1 - C10 - C11 H4 N1 C10 1 1.1768e+02 3.8576e+02 ; H4 - N1 - C10 C8 N2 H5 1 1.1755e+02 4.0752e+02 ; C8 - N2 - H5 C8 N2 C18 1 1.2069e+02 5.4643e+02 ; C8 - N2 - C18 O2 C8 N2 1 1.2305e+02 9.5228e+02 ; O2 - C8 - N2 N2 C18 H24 1 1.0888e+02 5.1463e+02 ; N2 - C18 - H24 N2 C18 H25 1 1.0888e+02 5.1463e+02 ; N2 - C18 - H25 N2 C18 C19 1 1.1161e+02 6.9622e+02 ; N2 - C18 - C19 H5 N2 C18 1 1.1768e+02 3.8576e+02 ; H5 - N2 - C18 C9 N3 H6 1 1.1755e+02 4.0752e+02 ; C9 - N3 - H6 C9 N3 C26 1 1.2069e+02 5.4643e+02 ; C9 - N3 - C26 O3 C9 N3 1 1.2305e+02 9.5228e+02 ; O3 - C9 - N3 N3 C26 H41 1 1.0888e+02 5.1463e+02 ; N3 - C26 - H41 N3 C26 H42 1 1.0888e+02 5.1463e+02 ; N3 - C26 - H42 N3 C26 C27 1 1.1161e+02 6.9622e+02 ; N3 - C26 - C27 H6 N3 C26 1 1.1768e+02 3.8576e+02 ; H6 - N3 - C26 C10 C11 H9 1 1.0980e+02 3.9162e+02 ; C10 - C11 - H9 C10 C11 H10 1 1.0980e+02 3.9162e+02 ; C10 - C11 - H10 C10 C11 C12 1 1.1151e+02 5.4308e+02 ; C10 - C11 - C12 H7 C10 H8 1 1.0846e+02 3.2468e+02 ; H7 - C10 - H8 H7 C10 C11 1 1.0956e+02 3.9246e+02 ; H7 - C10 - C11 H8 C10 C11 1 1.0956e+02 3.9246e+02 ; H8 - C10 - C11 C11 C12 H11 1 1.0980e+02 3.9162e+02 ; C11 - C12 - H11 C11 C12 H12 1 1.0980e+02 3.9162e+02 ; C11 - C12 - H12 C11 C12 C13 1 1.1151e+02 5.4308e+02 ; C11 - C12 - C13 H9 C11 H10 1 1.0758e+02 3.2635e+02 ; H9 - C11 - H10 H9 C11 C12 1 1.0980e+02 3.9162e+02 ; H9 - C11 - C12 H10 C11 C12 1 1.0980e+02 3.9162e+02 ; H10 - C11 - C12 C12 C13 H13 1 1.0980e+02 3.9162e+02 ; C12 - C13 - H13 C12 C13 H14 1 1.0980e+02 3.9162e+02 ; C12 - C13 - H14 C12 C13 C14 1 1.1151e+02 5.4308e+02 ; C12 - C13 - C14 H11 C12 H12 1 1.0758e+02 3.2635e+02 ; H11 - C12 - H12 H11 C12 C13 1 1.0980e+02 3.9162e+02 ; H11 - C12 - C13 H12 C12 C13 1 1.0980e+02 3.9162e+02 ; H12 - C12 - C13 C13 C14 H15 1 1.0980e+02 3.9162e+02 ; C13 - C14 - H15 C13 C14 H16 1 1.0980e+02 3.9162e+02 ; C13 - C14 - H16 C13 C14 C15 1 1.1151e+02 5.4308e+02 ; C13 - C14 - C15 H13 C13 H14 1 1.0758e+02 3.2635e+02 ; H13 - C13 - H14 H13 C13 C14 1 1.0980e+02 3.9162e+02 ; H13 - C13 - C14 H14 C13 C14 1 1.0980e+02 3.9162e+02 ; H14 - C13 - C14 C14 C15 H17 1 1.0980e+02 3.9162e+02 ; C14 - C15 - H17 C14 C15 H18 1 1.0980e+02 3.9162e+02 ; C14 - C15 - H18 C14 C15 C16 1 1.1151e+02 5.4308e+02 ; C14 - C15 - C16 H15 C14 H16 1 1.0758e+02 3.2635e+02 ; H15 - C14 - H16 H15 C14 C15 1 1.0980e+02 3.9162e+02 ; H15 - C14 - C15 H16 C14 C15 1 1.0980e+02 3.9162e+02 ; H16 - C14 - C15 C15 C16 H19 1 1.0980e+02 3.9162e+02 ; C15 - C16 - H19 C15 C16 H20 1 1.0980e+02 3.9162e+02 ; C15 - C16 - H20 C15 C16 C17 1 1.1151e+02 5.4308e+02 ; C15 - C16 - C17 H17 C15 H18 1 1.0758e+02 3.2635e+02 ; H17 - C15 - H18 H17 C15 C16 1 1.0980e+02 3.9162e+02 ; H17 - C15 - C16 H18 C15 C16 1 1.0980e+02 3.9162e+02 ; H18 - C15 - C16 C16 C17 H21 1 1.0980e+02 3.9162e+02 ; C16 - C17 - H21 C16 C17 H22 1 1.0980e+02 3.9162e+02 ; C16 - C17 - H22 C16 C17 H23 1 1.0980e+02 3.9162e+02 ; C16 - C17 - H23 H19 C16 H20 1 1.0758e+02 3.2635e+02 ; H19 - C16 - H20 H19 C16 C17 1 1.0980e+02 3.9162e+02 ; H19 - C16 - C17 H20 C16 C17 1 1.0980e+02 3.9162e+02 ; H20 - C16 - C17 H21 C17 H22 1 1.0758e+02 3.2635e+02 ; H21 - C17 - H22 H21 C17 H23 1 1.0758e+02 3.2635e+02 ; H21 - C17 - H23 H22 C17 H23 1 1.0758e+02 3.2635e+02 ; H22 - C17 - H23 C18 C19 H26 1 1.0980e+02 3.9162e+02 ; C18 - C19 - H26 C18 C19 H27 1 1.0980e+02 3.9162e+02 ; C18 - C19 - H27 C18 C19 C20 1 1.1151e+02 5.4308e+02 ; C18 - C19 - C20 H24 C18 H25 1 1.0846e+02 3.2468e+02 ; H24 - C18 - H25 H24 C18 C19 1 1.0956e+02 3.9246e+02 ; H24 - C18 - C19 H25 C18 C19 1 1.0956e+02 3.9246e+02 ; H25 - C18 - C19 C19 C20 H28 1 1.0980e+02 3.9162e+02 ; C19 - C20 - H28 C19 C20 H29 1 1.0980e+02 3.9162e+02 ; C19 - C20 - H29 C19 C20 C21 1 1.1151e+02 5.4308e+02 ; C19 - C20 - C21 H26 C19 H27 1 1.0758e+02 3.2635e+02 ; H26 - C19 - H27 H26 C19 C20 1 1.0980e+02 3.9162e+02 ; H26 - C19 - C20 H27 C19 C20 1 1.0980e+02 3.9162e+02 ; H27 - C19 - C20 C20 C21 H30 1 1.0980e+02 3.9162e+02 ; C20 - C21 - H30 C20 C21 H31 1 1.0980e+02 3.9162e+02 ; C20 - C21 - H31 C20 C21 C22 1 1.1151e+02 5.4308e+02 ; C20 - C21 - C22 H28 C20 H29 1 1.0758e+02 3.2635e+02 ; H28 - C20 - H29 H28 C20 C21 1 1.0980e+02 3.9162e+02 ; H28 - C20 - C21 H29 C20 C21 1 1.0980e+02 3.9162e+02 ; H29 - C20 - C21 C21 C22 H32 1 1.0980e+02 3.9162e+02 ; C21 - C22 - H32 C21 C22 H33 1 1.0980e+02 3.9162e+02 ; C21 - C22 - H33 C21 C22 C23 1 1.1151e+02 5.4308e+02 ; C21 - C22 - C23 H30 C21 H31 1 1.0758e+02 3.2635e+02 ; H30 - C21 - H31 H30 C21 C22 1 1.0980e+02 3.9162e+02 ; H30 - C21 - C22 H31 C21 C22 1 1.0980e+02 3.9162e+02 ; H31 - C21 - C22 C22 C23 H34 1 1.0980e+02 3.9162e+02 ; C22 - C23 - H34 C22 C23 H35 1 1.0980e+02 3.9162e+02 ; C22 - C23 - H35 C22 C23 C24 1 1.1151e+02 5.4308e+02 ; C22 - C23 - C24 H32 C22 H33 1 1.0758e+02 3.2635e+02 ; H32 - C22 - H33 H32 C22 C23 1 1.0980e+02 3.9162e+02 ; H32 - C22 - C23 H33 C22 C23 1 1.0980e+02 3.9162e+02 ; H33 - C22 - C23 C23 C24 H36 1 1.0980e+02 3.9162e+02 ; C23 - C24 - H36 C23 C24 H37 1 1.0980e+02 3.9162e+02 ; C23 - C24 - H37 C23 C24 C25 1 1.1151e+02 5.4308e+02 ; C23 - C24 - C25 H34 C23 H35 1 1.0758e+02 3.2635e+02 ; H34 - C23 - H35 H34 C23 C24 1 1.0980e+02 3.9162e+02 ; H34 - C23 - C24 H35 C23 C24 1 1.0980e+02 3.9162e+02 ; H35 - C23 - C24 C24 C25 H38 1 1.0980e+02 3.9162e+02 ; C24 - C25 - H38 C24 C25 H39 1 1.0980e+02 3.9162e+02 ; C24 - C25 - H39 C24 C25 H40 1 1.0980e+02 3.9162e+02 ; C24 - C25 - H40 H36 C24 H37 1 1.0758e+02 3.2635e+02 ; H36 - C24 - H37 H36 C24 C25 1 1.0980e+02 3.9162e+02 ; H36 - C24 - C25 H37 C24 C25 1 1.0980e+02 3.9162e+02 ; H37 - C24 - C25 H38 C25 H39 1 1.0758e+02 3.2635e+02 ; H38 - C25 - H39 H38 C25 H40 1 1.0758e+02 3.2635e+02 ; H38 - C25 - H40 H39 C25 H40 1 1.0758e+02 3.2635e+02 ; H39 - C25 - H40 C26 C27 H43 1 1.0980e+02 3.9162e+02 ; C26 - C27 - H43 C26 C27 H44 1 1.0980e+02 3.9162e+02 ; C26 - C27 - H44 C26 C27 C28 1 1.1151e+02 5.4308e+02 ; C26 - C27 - C28 H41 C26 H42 1 1.0846e+02 3.2468e+02 ; H41 - C26 - H42 H41 C26 C27 1 1.0956e+02 3.9246e+02 ; H41 - C26 - C27 H42 C26 C27 1 1.0956e+02 3.9246e+02 ; H42 - C26 - C27 C27 C28 H45 1 1.0980e+02 3.9162e+02 ; C27 - C28 - H45 C27 C28 H46 1 1.0980e+02 3.9162e+02 ; C27 - C28 - H46 C27 C28 C29 1 1.1151e+02 5.4308e+02 ; C27 - C28 - C29 H43 C27 H44 1 1.0758e+02 3.2635e+02 ; H43 - C27 - H44 H43 C27 C28 1 1.0980e+02 3.9162e+02 ; H43 - C27 - C28 H44 C27 C28 1 1.0980e+02 3.9162e+02 ; H44 - C27 - C28 C28 C29 H47 1 1.0980e+02 3.9162e+02 ; C28 - C29 - H47 C28 C29 H48 1 1.0980e+02 3.9162e+02 ; C28 - C29 - H48 C28 C29 C30 1 1.1151e+02 5.4308e+02 ; C28 - C29 - C30 H45 C28 H46 1 1.0758e+02 3.2635e+02 ; H45 - C28 - H46 H45 C28 C29 1 1.0980e+02 3.9162e+02 ; H45 - C28 - C29 H46 C28 C29 1 1.0980e+02 3.9162e+02 ; H46 - C28 - C29 C29 C30 H49 1 1.0980e+02 3.9162e+02 ; C29 - C30 - H49 C29 C30 H50 1 1.0980e+02 3.9162e+02 ; C29 - C30 - H50 C29 C30 C31 1 1.1151e+02 5.4308e+02 ; C29 - C30 - C31 H47 C29 H48 1 1.0758e+02 3.2635e+02 ; H47 - C29 - H48 H47 C29 C30 1 1.0980e+02 3.9162e+02 ; H47 - C29 - C30 H48 C29 C30 1 1.0980e+02 3.9162e+02 ; H48 - C29 - C30 C30 C31 H51 1 1.0980e+02 3.9162e+02 ; C30 - C31 - H51 C30 C31 H52 1 1.0980e+02 3.9162e+02 ; C30 - C31 - H52 C30 C31 C32 1 1.1151e+02 5.4308e+02 ; C30 - C31 - C32 H49 C30 H50 1 1.0758e+02 3.2635e+02 ; H49 - C30 - H50 H49 C30 C31 1 1.0980e+02 3.9162e+02 ; H49 - C30 - C31 H50 C30 C31 1 1.0980e+02 3.9162e+02 ; H50 - C30 - C31 C31 C32 H53 1 1.0980e+02 3.9162e+02 ; C31 - C32 - H53 C31 C32 H54 1 1.0980e+02 3.9162e+02 ; C31 - C32 - H54 C31 C32 C33 1 1.1151e+02 5.4308e+02 ; C31 - C32 - C33 H51 C31 H52 1 1.0758e+02 3.2635e+02 ; H51 - C31 - H52 H51 C31 C32 1 1.0980e+02 3.9162e+02 ; H51 - C31 - C32 H52 C31 C32 1 1.0980e+02 3.9162e+02 ; H52 - C31 - C32 C32 C33 H55 1 1.0980e+02 3.9162e+02 ; C32 - C33 - H55 C32 C33 H56 1 1.0980e+02 3.9162e+02 ; C32 - C33 - H56 C32 C33 H57 1 1.0980e+02 3.9162e+02 ; C32 - C33 - H57 H53 C32 H54 1 1.0758e+02 3.2635e+02 ; H53 - C32 - H54 H53 C32 C33 1 1.0980e+02 3.9162e+02 ; H53 - C32 - C33 H54 C32 C33 1 1.0980e+02 3.9162e+02 ; H54 - C32 - C33 H55 C33 H56 1 1.0758e+02 3.2635e+02 ; H55 - C33 - H56 H55 C33 H57 1 1.0758e+02 3.2635e+02 ; H55 - C33 - H57 H56 C33 H57 1 1.0758e+02 3.2635e+02 ; H56 - C33 - H57 [ dihedraltypes ] ; propers ; for gromacs 4.5 or higher, using funct 9 ; i j k l func phase kd pn C1 C2 C3 C4 9 180.00 15.16700 2 ; C1- C2- C3- C4 C1 C2 C3 H2 9 180.00 15.16700 2 ; C1- C2- C3- H2 C1 C2 C7 O1 9 180.00 2.18614 2 ; C1- C2- C7- O1 C1 C2 C7 N1 9 180.00 4.18400 2 ; C1- C2- C7- N1 C1 C6 C5 C4 9 180.00 15.16700 2 ; C1- C6- C5- C4 C1 C6 C5 H3 9 180.00 15.16700 2 ; C1- C6- C5- H3 C1 C6 C8 O2 9 180.00 2.18614 2 ; C1- C6- C8- O2 C1 C6 C8 N2 9 180.00 4.18400 2 ; C1- C6- C8- N2 C2 C1 C6 C5 9 180.00 15.16700 2 ; C2- C1- C6- C5 C2 C1 C6 C8 9 180.00 15.16700 2 ; C2- C1- C6- C8 C2 C3 C4 C5 9 180.00 15.16700 2 ; C2- C3- C4- C5 C2 C3 C4 C9 9 180.00 15.16700 2 ; C2- C3- C4- C9 C2 C7 N1 H4 9 180.00 10.46000 2 ; C2- C7- N1- H4 C2 C7 N1 C10 9 180.00 10.46000 2 ; C2- C7- N1- C10 C3 C2 C7 O1 9 180.00 2.18614 2 ; C3- C2- C7- O1 C3 C2 C7 N1 9 180.00 4.18400 2 ; C3- C2- C7- N1 C3 C4 C5 C6 9 180.00 15.16700 2 ; C3- C4- C5- C6 C3 C4 C5 H3 9 180.00 15.16700 2 ; C3- C4- C5- H3 C3 C4 C9 O3 9 180.00 2.18614 2 ; C3- C4- C9- O3 C3 C4 C9 N3 9 180.00 4.18400 2 ; C3- C4- C9- N3 C4 C3 C2 C7 9 180.00 15.16700 2 ; C4- C3- C2- C7 C4 C5 C6 C8 9 180.00 15.16700 2 ; C4- C5- C6- C8 C4 C9 N3 H6 9 180.00 10.46000 2 ; C4- C9- N3- H6 C4 C9 N3 C26 9 180.00 10.46000 2 ; C4- C9- N3- C26 C5 C4 C3 H2 9 180.00 15.16700 2 ; C5- C4- C3- H2 C5 C4 C9 O3 9 180.00 2.18614 2 ; C5- C4- C9- O3 C5 C4 C9 N3 9 180.00 4.18400 2 ; C5- C4- C9- N3 C5 C6 C8 O2 9 180.00 2.18614 2 ; C5- C6- C8- O2 C5 C6 C8 N2 9 180.00 4.18400 2 ; C5- C6- C8- N2 C6 C1 C2 C3 9 180.00 15.16700 2 ; C6- C1- C2- C3 C6 C1 C2 C7 9 180.00 15.16700 2 ; C6- C1- C2- C7 C6 C5 C4 C9 9 180.00 15.16700 2 ; C6- C5- C4- C9 C6 C8 N2 H5 9 180.00 10.46000 2 ; C6- C8- N2- H5 C6 C8 N2 C18 9 180.00 10.46000 2 ; C6- C8- N2- C18 H1 C1 C2 C3 9 180.00 15.16700 2 ; H1- C1- C2- C3 H1 C1 C2 C7 9 180.00 15.16700 2 ; H1- C1- C2- C7 H1 C1 C6 C5 9 180.00 15.16700 2 ; H1- C1- C6- C5 H1 C1 C6 C8 9 180.00 15.16700 2 ; H1- C1- C6- C8 H2 C3 C2 C7 9 180.00 15.16700 2 ; H2- C3- C2- C7 H2 C3 C4 C9 9 180.00 15.16700 2 ; H2- C3- C4- C9 H3 C5 C4 C9 9 180.00 15.16700 2 ; H3- C5- C4- C9 H3 C5 C6 C8 9 180.00 15.16700 2 ; H3- C5- C6- C8 C7 N1 C10 H7 9 180.00 0.00000 2 ; C7- N1- C10- H7 C7 N1 C10 H8 9 180.00 0.00000 2 ; C7- N1- C10- H8 C7 N1 C10 C11 9 0.00 0.71128 3 ; C7- N1- C10- C11 C7 N1 C10 C11 9 180.00 0.41840 4 ; C7- N1- C10- C11 C7 N1 C10 C11 9 180.00 4.26768 1 ; C7- N1- C10- C11 O1 C7 N1 H4 9 0.00 8.36800 1 ; O1- C7- N1- H4 O1 C7 N1 H4 9 180.00 10.46000 2 ; O1- C7- N1- H4 O1 C7 N1 C10 9 180.00 10.46000 2 ; O1- C7- N1- C10 N1 C10 C11 H9 9 0.00 0.65084 3 ; N1- C10- C11- H9 N1 C10 C11 H10 9 0.00 0.65084 3 ; N1- C10- C11- H10 N1 C10 C11 C12 9 0.00 0.41840 3 ; N1- C10- C11- C12 H4 N1 C10 H7 9 0.00 0.00000 0 ; H4- N1- C10- H7 H4 N1 C10 H8 9 0.00 0.00000 0 ; H4- N1- C10- H8 H4 N1 C10 C11 9 0.00 0.00000 0 ; H4- N1- C10- C11 C8 N2 C18 H24 9 180.00 0.00000 2 ; C8- N2- C18- H24 C8 N2 C18 H25 9 180.00 0.00000 2 ; C8- N2- C18- H25 C8 N2 C18 C19 9 0.00 0.71128 3 ; C8- N2- C18- C19 C8 N2 C18 C19 9 180.00 0.41840 4 ; C8- N2- C18- C19 C8 N2 C18 C19 9 180.00 4.26768 1 ; C8- N2- C18- C19 O2 C8 N2 H5 9 0.00 8.36800 1 ; O2- C8- N2- H5 O2 C8 N2 H5 9 180.00 10.46000 2 ; O2- C8- N2- H5 O2 C8 N2 C18 9 180.00 10.46000 2 ; O2- C8- N2- C18 N2 C18 C19 H26 9 0.00 0.65084 3 ; N2- C18- C19- H26 N2 C18 C19 H27 9 0.00 0.65084 3 ; N2- C18- C19- H27 N2 C18 C19 C20 9 0.00 0.41840 3 ; N2- C18- C19- C20 H5 N2 C18 H24 9 0.00 0.00000 0 ; H5- N2- C18- H24 H5 N2 C18 H25 9 0.00 0.00000 0 ; H5- N2- C18- H25 H5 N2 C18 C19 9 0.00 0.00000 0 ; H5- N2- C18- C19 C9 N3 C26 H41 9 180.00 0.00000 2 ; C9- N3- C26- H41 C9 N3 C26 H42 9 180.00 0.00000 2 ; C9- N3- C26- H42 C9 N3 C26 C27 9 0.00 0.71128 3 ; C9- N3- C26- C27 C9 N3 C26 C27 9 180.00 0.41840 4 ; C9- N3- C26- C27 C9 N3 C26 C27 9 180.00 4.26768 1 ; C9- N3- C26- C27 O3 C9 N3 H6 9 0.00 8.36800 1 ; O3- C9- N3- H6 O3 C9 N3 H6 9 180.00 10.46000 2 ; O3- C9- N3- H6 O3 C9 N3 C26 9 180.00 10.46000 2 ; O3- C9- N3- C26 N3 C26 C27 H43 9 0.00 0.65084 3 ; N3- C26- C27- H43 N3 C26 C27 H44 9 0.00 0.65084 3 ; N3- C26- C27- H44 N3 C26 C27 C28 9 0.00 0.41840 3 ; N3- C26- C27- C28 H6 N3 C26 H41 9 0.00 0.00000 0 ; H6- N3- C26- H41 H6 N3 C26 H42 9 0.00 0.00000 0 ; H6- N3- C26- H42 H6 N3 C26 C27 9 0.00 0.00000 0 ; H6- N3- C26- C27 C10 C11 C12 H11 9 0.00 0.33472 3 ; C10- C11- C12- H11 C10 C11 C12 H12 9 0.00 0.33472 3 ; C10- C11- C12- H12 C10 C11 C12 C13 9 0.00 0.46024 1 ; C10- C11- C12- C13 C10 C11 C12 C13 9 0.00 0.54392 3 ; C10- C11- C12- C13 C10 C11 C12 C13 9 180.00 1.21336 2 ; C10- C11- C12- C13 H7 C10 C11 H9 9 0.00 0.65084 3 ; H7- C10- C11- H9 H7 C10 C11 H10 9 0.00 0.65084 3 ; H7- C10- C11- H10 H7 C10 C11 C12 9 0.00 0.65084 3 ; H7- C10- C11- C12 H8 C10 C11 H9 9 0.00 0.65084 3 ; H8- C10- C11- H9 H8 C10 C11 H10 9 0.00 0.65084 3 ; H8- C10- C11- H10 H8 C10 C11 C12 9 0.00 0.65084 3 ; H8- C10- C11- C12 C11 C12 C13 H13 9 0.00 0.33472 3 ; C11- C12- C13- H13 C11 C12 C13 H14 9 0.00 0.33472 3 ; C11- C12- C13- H14 C11 C12 C13 C14 9 0.00 0.46024 1 ; C11- C12- C13- C14 C11 C12 C13 C14 9 0.00 0.54392 3 ; C11- C12- C13- C14 C11 C12 C13 C14 9 180.00 1.21336 2 ; C11- C12- C13- C14 H9 C11 C12 H11 9 0.00 0.50208 3 ; H9- C11- C12- H11 H9 C11 C12 H12 9 0.00 0.50208 3 ; H9- C11- C12- H12 H9 C11 C12 C13 9 0.00 0.33472 3 ; H9- C11- C12- C13 H10 C11 C12 H11 9 0.00 0.50208 3 ; H10- C11- C12- H11 H10 C11 C12 H12 9 0.00 0.50208 3 ; H10- C11- C12- H12 H10 C11 C12 C13 9 0.00 0.33472 3 ; H10- C11- C12- C13 C12 C13 C14 H15 9 0.00 0.33472 3 ; C12- C13- C14- H15 C12 C13 C14 H16 9 0.00 0.33472 3 ; C12- C13- C14- H16 C12 C13 C14 C15 9 0.00 0.46024 1 ; C12- C13- C14- C15 C12 C13 C14 C15 9 0.00 0.54392 3 ; C12- C13- C14- C15 C12 C13 C14 C15 9 180.00 1.21336 2 ; C12- C13- C14- C15 H11 C12 C13 H13 9 0.00 0.50208 3 ; H11- C12- C13- H13 H11 C12 C13 H14 9 0.00 0.50208 3 ; H11- C12- C13- H14 H11 C12 C13 C14 9 0.00 0.33472 3 ; H11- C12- C13- C14 H12 C12 C13 H13 9 0.00 0.50208 3 ; H12- C12- C13- H13 H12 C12 C13 H14 9 0.00 0.50208 3 ; H12- C12- C13- H14 H12 C12 C13 C14 9 0.00 0.33472 3 ; H12- C12- C13- C14 C13 C14 C15 H17 9 0.00 0.33472 3 ; C13- C14- C15- H17 C13 C14 C15 H18 9 0.00 0.33472 3 ; C13- C14- C15- H18 C13 C14 C15 C16 9 0.00 0.46024 1 ; C13- C14- C15- C16 C13 C14 C15 C16 9 0.00 0.54392 3 ; C13- C14- C15- C16 C13 C14 C15 C16 9 180.00 1.21336 2 ; C13- C14- C15- C16 H13 C13 C14 H15 9 0.00 0.50208 3 ; H13- C13- C14- H15 H13 C13 C14 H16 9 0.00 0.50208 3 ; H13- C13- C14- H16 H13 C13 C14 C15 9 0.00 0.33472 3 ; H13- C13- C14- C15 H14 C13 C14 H15 9 0.00 0.50208 3 ; H14- C13- C14- H15 H14 C13 C14 H16 9 0.00 0.50208 3 ; H14- C13- C14- H16 H14 C13 C14 C15 9 0.00 0.33472 3 ; H14- C13- C14- C15 C14 C15 C16 H19 9 0.00 0.33472 3 ; C14- C15- C16- H19 C14 C15 C16 H20 9 0.00 0.33472 3 ; C14- C15- C16- H20 C14 C15 C16 C17 9 0.00 0.46024 1 ; C14- C15- C16- C17 C14 C15 C16 C17 9 0.00 0.54392 3 ; C14- C15- C16- C17 C14 C15 C16 C17 9 180.00 1.21336 2 ; C14- C15- C16- C17 H15 C14 C15 H17 9 0.00 0.50208 3 ; H15- C14- C15- H17 H15 C14 C15 H18 9 0.00 0.50208 3 ; H15- C14- C15- H18 H15 C14 C15 C16 9 0.00 0.33472 3 ; H15- C14- C15- C16 H16 C14 C15 H17 9 0.00 0.50208 3 ; H16- C14- C15- H17 H16 C14 C15 H18 9 0.00 0.50208 3 ; H16- C14- C15- H18 H16 C14 C15 C16 9 0.00 0.33472 3 ; H16- C14- C15- C16 C15 C16 C17 H21 9 0.00 0.33472 3 ; C15- C16- C17- H21 C15 C16 C17 H22 9 0.00 0.33472 3 ; C15- C16- C17- H22 C15 C16 C17 H23 9 0.00 0.33472 3 ; C15- C16- C17- H23 H17 C15 C16 H19 9 0.00 0.50208 3 ; H17- C15- C16- H19 H17 C15 C16 H20 9 0.00 0.50208 3 ; H17- C15- C16- H20 H17 C15 C16 C17 9 0.00 0.33472 3 ; H17- C15- C16- C17 H18 C15 C16 H19 9 0.00 0.50208 3 ; H18- C15- C16- H19 H18 C15 C16 H20 9 0.00 0.50208 3 ; H18- C15- C16- H20 H18 C15 C16 C17 9 0.00 0.33472 3 ; H18- C15- C16- C17 H19 C16 C17 H21 9 0.00 0.50208 3 ; H19- C16- C17- H21 H19 C16 C17 H22 9 0.00 0.50208 3 ; H19- C16- C17- H22 H19 C16 C17 H23 9 0.00 0.50208 3 ; H19- C16- C17- H23 H20 C16 C17 H21 9 0.00 0.50208 3 ; H20- C16- C17- H21 H20 C16 C17 H22 9 0.00 0.50208 3 ; H20- C16- C17- H22 H20 C16 C17 H23 9 0.00 0.50208 3 ; H20- C16- C17- H23 C18 C19 C20 H28 9 0.00 0.33472 3 ; C18- C19- C20- H28 C18 C19 C20 H29 9 0.00 0.33472 3 ; C18- C19- C20- H29 C18 C19 C20 C21 9 0.00 0.46024 1 ; C18- C19- C20- C21 C18 C19 C20 C21 9 0.00 0.54392 3 ; C18- C19- C20- C21 C18 C19 C20 C21 9 180.00 1.21336 2 ; C18- C19- C20- C21 H24 C18 C19 H26 9 0.00 0.65084 3 ; H24- C18- C19- H26 H24 C18 C19 H27 9 0.00 0.65084 3 ; H24- C18- C19- H27 H24 C18 C19 C20 9 0.00 0.65084 3 ; H24- C18- C19- C20 H25 C18 C19 H26 9 0.00 0.65084 3 ; H25- C18- C19- H26 H25 C18 C19 H27 9 0.00 0.65084 3 ; H25- C18- C19- H27 H25 C18 C19 C20 9 0.00 0.65084 3 ; H25- C18- C19- C20 C19 C20 C21 H30 9 0.00 0.33472 3 ; C19- C20- C21- H30 C19 C20 C21 H31 9 0.00 0.33472 3 ; C19- C20- C21- H31 C19 C20 C21 C22 9 0.00 0.46024 1 ; C19- C20- C21- C22 C19 C20 C21 C22 9 0.00 0.54392 3 ; C19- C20- C21- C22 C19 C20 C21 C22 9 180.00 1.21336 2 ; C19- C20- C21- C22 H26 C19 C20 H28 9 0.00 0.50208 3 ; H26- C19- C20- H28 H26 C19 C20 H29 9 0.00 0.50208 3 ; H26- C19- C20- H29 H26 C19 C20 C21 9 0.00 0.33472 3 ; H26- C19- C20- C21 H27 C19 C20 H28 9 0.00 0.50208 3 ; H27- C19- C20- H28 H27 C19 C20 H29 9 0.00 0.50208 3 ; H27- C19- C20- H29 H27 C19 C20 C21 9 0.00 0.33472 3 ; H27- C19- C20- C21 C20 C21 C22 H32 9 0.00 0.33472 3 ; C20- C21- C22- H32 C20 C21 C22 H33 9 0.00 0.33472 3 ; C20- C21- C22- H33 C20 C21 C22 C23 9 0.00 0.46024 1 ; C20- C21- C22- C23 C20 C21 C22 C23 9 0.00 0.54392 3 ; C20- C21- C22- C23 C20 C21 C22 C23 9 180.00 1.21336 2 ; C20- C21- C22- C23 H28 C20 C21 H30 9 0.00 0.50208 3 ; H28- C20- C21- H30 H28 C20 C21 H31 9 0.00 0.50208 3 ; H28- C20- C21- H31 H28 C20 C21 C22 9 0.00 0.33472 3 ; H28- C20- C21- C22 H29 C20 C21 H30 9 0.00 0.50208 3 ; H29- C20- C21- H30 H29 C20 C21 H31 9 0.00 0.50208 3 ; H29- C20- C21- H31 H29 C20 C21 C22 9 0.00 0.33472 3 ; H29- C20- C21- C22 C21 C22 C23 H34 9 0.00 0.33472 3 ; C21- C22- C23- H34 C21 C22 C23 H35 9 0.00 0.33472 3 ; C21- C22- C23- H35 C21 C22 C23 C24 9 0.00 0.46024 1 ; C21- C22- C23- C24 C21 C22 C23 C24 9 0.00 0.54392 3 ; C21- C22- C23- C24 C21 C22 C23 C24 9 180.00 1.21336 2 ; C21- C22- C23- C24 H30 C21 C22 H32 9 0.00 0.50208 3 ; H30- C21- C22- H32 H30 C21 C22 H33 9 0.00 0.50208 3 ; H30- C21- C22- H33 H30 C21 C22 C23 9 0.00 0.33472 3 ; H30- C21- C22- C23 H31 C21 C22 H32 9 0.00 0.50208 3 ; H31- C21- C22- H32 H31 C21 C22 H33 9 0.00 0.50208 3 ; H31- C21- C22- H33 H31 C21 C22 C23 9 0.00 0.33472 3 ; H31- C21- C22- C23 C22 C23 C24 H36 9 0.00 0.33472 3 ; C22- C23- C24- H36 C22 C23 C24 H37 9 0.00 0.33472 3 ; C22- C23- C24- H37 C22 C23 C24 C25 9 0.00 0.46024 1 ; C22- C23- C24- C25 C22 C23 C24 C25 9 0.00 0.54392 3 ; C22- C23- C24- C25 C22 C23 C24 C25 9 180.00 1.21336 2 ; C22- C23- C24- C25 H32 C22 C23 H34 9 0.00 0.50208 3 ; H32- C22- C23- H34 H32 C22 C23 H35 9 0.00 0.50208 3 ; H32- C22- C23- H35 H32 C22 C23 C24 9 0.00 0.33472 3 ; H32- C22- C23- C24 H33 C22 C23 H34 9 0.00 0.50208 3 ; H33- C22- C23- H34 H33 C22 C23 H35 9 0.00 0.50208 3 ; H33- C22- C23- H35 H33 C22 C23 C24 9 0.00 0.33472 3 ; H33- C22- C23- C24 C23 C24 C25 H38 9 0.00 0.33472 3 ; C23- C24- C25- H38 C23 C24 C25 H39 9 0.00 0.33472 3 ; C23- C24- C25- H39 C23 C24 C25 H40 9 0.00 0.33472 3 ; C23- C24- C25- H40 H34 C23 C24 H36 9 0.00 0.50208 3 ; H34- C23- C24- H36 H34 C23 C24 H37 9 0.00 0.50208 3 ; H34- C23- C24- H37 H34 C23 C24 C25 9 0.00 0.33472 3 ; H34- C23- C24- C25 H35 C23 C24 H36 9 0.00 0.50208 3 ; H35- C23- C24- H36 H35 C23 C24 H37 9 0.00 0.50208 3 ; H35- C23- C24- H37 H35 C23 C24 C25 9 0.00 0.33472 3 ; H35- C23- C24- C25 H36 C24 C25 H38 9 0.00 0.50208 3 ; H36- C24- C25- H38 H36 C24 C25 H39 9 0.00 0.50208 3 ; H36- C24- C25- H39 H36 C24 C25 H40 9 0.00 0.50208 3 ; H36- C24- C25- H40 H37 C24 C25 H38 9 0.00 0.50208 3 ; H37- C24- C25- H38 H37 C24 C25 H39 9 0.00 0.50208 3 ; H37- C24- C25- H39 H37 C24 C25 H40 9 0.00 0.50208 3 ; H37- C24- C25- H40 C26 C27 C28 H45 9 0.00 0.33472 3 ; C26- C27- C28- H45 C26 C27 C28 H46 9 0.00 0.33472 3 ; C26- C27- C28- H46 C26 C27 C28 C29 9 0.00 0.46024 1 ; C26- C27- C28- C29 C26 C27 C28 C29 9 0.00 0.54392 3 ; C26- C27- C28- C29 C26 C27 C28 C29 9 180.00 1.21336 2 ; C26- C27- C28- C29 H41 C26 C27 H43 9 0.00 0.65084 3 ; H41- C26- C27- H43 H41 C26 C27 H44 9 0.00 0.65084 3 ; H41- C26- C27- H44 H41 C26 C27 C28 9 0.00 0.65084 3 ; H41- C26- C27- C28 H42 C26 C27 H43 9 0.00 0.65084 3 ; H42- C26- C27- H43 H42 C26 C27 H44 9 0.00 0.65084 3 ; H42- C26- C27- H44 H42 C26 C27 C28 9 0.00 0.65084 3 ; H42- C26- C27- C28 C27 C28 C29 H47 9 0.00 0.33472 3 ; C27- C28- C29- H47 C27 C28 C29 H48 9 0.00 0.33472 3 ; C27- C28- C29- H48 C27 C28 C29 C30 9 0.00 0.46024 1 ; C27- C28- C29- C30 C27 C28 C29 C30 9 0.00 0.54392 3 ; C27- C28- C29- C30 C27 C28 C29 C30 9 180.00 1.21336 2 ; C27- C28- C29- C30 H43 C27 C28 H45 9 0.00 0.50208 3 ; H43- C27- C28- H45 H43 C27 C28 H46 9 0.00 0.50208 3 ; H43- C27- C28- H46 H43 C27 C28 C29 9 0.00 0.33472 3 ; H43- C27- C28- C29 H44 C27 C28 H45 9 0.00 0.50208 3 ; H44- C27- C28- H45 H44 C27 C28 H46 9 0.00 0.50208 3 ; H44- C27- C28- H46 H44 C27 C28 C29 9 0.00 0.33472 3 ; H44- C27- C28- C29 C28 C29 C30 H49 9 0.00 0.33472 3 ; C28- C29- C30- H49 C28 C29 C30 H50 9 0.00 0.33472 3 ; C28- C29- C30- H50 C28 C29 C30 C31 9 0.00 0.46024 1 ; C28- C29- C30- C31 C28 C29 C30 C31 9 0.00 0.54392 3 ; C28- C29- C30- C31 C28 C29 C30 C31 9 180.00 1.21336 2 ; C28- C29- C30- C31 H45 C28 C29 H47 9 0.00 0.50208 3 ; H45- C28- C29- H47 H45 C28 C29 H48 9 0.00 0.50208 3 ; H45- C28- C29- H48 H45 C28 C29 C30 9 0.00 0.33472 3 ; H45- C28- C29- C30 H46 C28 C29 H47 9 0.00 0.50208 3 ; H46- C28- C29- H47 H46 C28 C29 H48 9 0.00 0.50208 3 ; H46- C28- C29- H48 H46 C28 C29 C30 9 0.00 0.33472 3 ; H46- C28- C29- C30 C29 C30 C31 H51 9 0.00 0.33472 3 ; C29- C30- C31- H51 C29 C30 C31 H52 9 0.00 0.33472 3 ; C29- C30- C31- H52 C29 C30 C31 C32 9 0.00 0.46024 1 ; C29- C30- C31- C32 C29 C30 C31 C32 9 0.00 0.54392 3 ; C29- C30- C31- C32 C29 C30 C31 C32 9 180.00 1.21336 2 ; C29- C30- C31- C32 H47 C29 C30 H49 9 0.00 0.50208 3 ; H47- C29- C30- H49 H47 C29 C30 H50 9 0.00 0.50208 3 ; H47- C29- C30- H50 H47 C29 C30 C31 9 0.00 0.33472 3 ; H47- C29- C30- C31 H48 C29 C30 H49 9 0.00 0.50208 3 ; H48- C29- C30- H49 H48 C29 C30 H50 9 0.00 0.50208 3 ; H48- C29- C30- H50 H48 C29 C30 C31 9 0.00 0.33472 3 ; H48- C29- C30- C31 C30 C31 C32 H53 9 0.00 0.33472 3 ; C30- C31- C32- H53 C30 C31 C32 H54 9 0.00 0.33472 3 ; C30- C31- C32- H54 C30 C31 C32 C33 9 0.00 0.46024 1 ; C30- C31- C32- C33 C30 C31 C32 C33 9 0.00 0.54392 3 ; C30- C31- C32- C33 C30 C31 C32 C33 9 180.00 1.21336 2 ; C30- C31- C32- C33 H49 C30 C31 H51 9 0.00 0.50208 3 ; H49- C30- C31- H51 H49 C30 C31 H52 9 0.00 0.50208 3 ; H49- C30- C31- H52 H49 C30 C31 C32 9 0.00 0.33472 3 ; H49- C30- C31- C32 H50 C30 C31 H51 9 0.00 0.50208 3 ; H50- C30- C31- H51 H50 C30 C31 H52 9 0.00 0.50208 3 ; H50- C30- C31- H52 H50 C30 C31 C32 9 0.00 0.33472 3 ; H50- C30- C31- C32 C31 C32 C33 H55 9 0.00 0.33472 3 ; C31- C32- C33- H55 C31 C32 C33 H56 9 0.00 0.33472 3 ; C31- C32- C33- H56 C31 C32 C33 H57 9 0.00 0.33472 3 ; C31- C32- C33- H57 H51 C31 C32 H53 9 0.00 0.50208 3 ; H51- C31- C32- H53 H51 C31 C32 H54 9 0.00 0.50208 3 ; H51- C31- C32- H54 H51 C31 C32 C33 9 0.00 0.33472 3 ; H51- C31- C32- C33 H52 C31 C32 H53 9 0.00 0.50208 3 ; H52- C31- C32- H53 H52 C31 C32 H54 9 0.00 0.50208 3 ; H52- C31- C32- H54 H52 C31 C32 C33 9 0.00 0.33472 3 ; H52- C31- C32- C33 H53 C32 C33 H55 9 0.00 0.50208 3 ; H53- C32- C33- H55 H53 C32 C33 H56 9 0.00 0.50208 3 ; H53- C32- C33- H56 H53 C32 C33 H57 9 0.00 0.50208 3 ; H53- C32- C33- H57 H54 C32 C33 H55 9 0.00 0.50208 3 ; H54- C32- C33- H55 H54 C32 C33 H56 9 0.00 0.50208 3 ; H54- C32- C33- H56 H54 C32 C33 H57 9 0.00 0.50208 3 ; H54- C32- C33- H57 [ dihedraltypes ] ; impropers ; treated as propers in GROMACS to use correct AMBER analytical function ; i j k l func phase kd pn C2 C4 C3 H2 4 180.00 4.60240 2 ; C2- C4- C3- H2 C2 N1 C7 O1 4 180.00 43.93200 2 ; C2- N1- C7- O1 C4 C6 C5 H3 4 180.00 4.60240 2 ; C4- C6- C5- H3 C4 N3 C9 O3 4 180.00 43.93200 2 ; C4- N3- C9- O3 C6 N2 C8 O2 4 180.00 43.93200 2 ; C6- N2- C8- O2 H1 C1 C6 C2 4 180.00 4.60240 2 ; H1- C1- C6- C2 C7 C1 C2 C3 4 180.00 4.60240 2 ; C7- C1- C2- C3 C7 C10 N1 H4 4 180.00 4.60240 2 ; C7- C10- N1- H4 C8 C1 C6 C5 4 180.00 4.60240 2 ; C8- C1- C6- C5 C8 C18 N2 H5 4 180.00 4.60240 2 ; C8- C18- N2- H5 C9 C3 C4 C5 4 180.00 4.60240 2 ; C9- C3- C4- C5 C9 C26 N3 H6 4 180.00 4.60240 2 ; C9- C26- N3- H6