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X00.params
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X00.params
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NAME X00
IO_STRING X00 Z
TYPE LIGAND
AA UNK
ATOM O5 OH X -0.41
ATOM C2 CH1 X 0.16
ATOM C1 CH1 X 0.16
ATOM O4 OH X -0.41
ATOM P1 Phos X 1.75
ATOM O2 OOC X -0.51
ATOM O3 OOC X -0.51
ATOM O1 OOC X -0.51
ATOM C3 CH1 X 0.16
ATOM O6 OOC X -0.51
ATOM C4 CH1 X 0.16
ATOM O7 OOC X -0.51
ATOM C5 CH1 X 0.16
ATOM N1 Npro X -0.12
ATOM C6 aroC X 0.13
ATOM C7 aroC X 0.13
ATOM C8 COO X 0.87
ATOM O8 ONH2 X -0.30
ATOM N2 Nhis X -0.28
ATOM C9 aroC X 0.13
ATOM C10 aroC X 0.13
ATOM C11 aroC X 0.13
BOND_TYPE P1 O2 1
BOND_TYPE P1 O3 1
BOND_TYPE P1 O4 1
BOND_TYPE P1 O1 2
BOND_TYPE O4 C1 1
BOND_TYPE C1 C2 1
BOND_TYPE C2 O5 1
BOND_TYPE C2 C3 1
BOND_TYPE O5 C5 1
BOND_TYPE C3 O6 1
BOND_TYPE C3 C4 1
BOND_TYPE C4 O7 1
BOND_TYPE C4 C5 1
BOND_TYPE C5 N1 1
BOND_TYPE N1 C6 4
BOND_TYPE N1 C11 4
BOND_TYPE C6 C7 4
BOND_TYPE C7 C8 1
BOND_TYPE C7 C9 4
BOND_TYPE C8 O8 2
BOND_TYPE C8 N2 1
BOND_TYPE C9 C10 4
BOND_TYPE C10 C11 4
CHI 1 C1 O4 P1 O2
CHI 2 C2 C1 O4 P1
CHI 3 O5 C2 C1 O4
CHI 4 C4 C5 N1 C6
CHI 5 C6 C7 C8 O8
NBR_ATOM O5
NBR_RADIUS 8.149893
ICOOR_INTERNAL O5 0.000000 0.000000 0.000000 O5 C2 C1
ICOOR_INTERNAL C2 0.000000 180.000000 1.428838 O5 C2 C1
ICOOR_INTERNAL C1 0.000000 71.253898 1.513192 C2 O5 C1
ICOOR_INTERNAL O4 -62.102366 72.791340 1.425610 C1 C2 O5
ICOOR_INTERNAL P1 -154.165798 57.400053 1.593137 O4 C1 C2
ICOOR_INTERNAL O2 51.755641 80.374810 1.619271 P1 O4 C1
ICOOR_INTERNAL O3 115.161575 73.299355 1.508729 P1 O4 O2
ICOOR_INTERNAL O1 130.451100 73.570883 1.498500 P1 O4 O3
ICOOR_INTERNAL C3 -119.547857 75.160520 1.519632 C2 O5 C1
ICOOR_INTERNAL O6 -155.488257 67.895329 1.432009 C3 C2 O5
ICOOR_INTERNAL C4 120.916919 76.932339 1.512268 C3 C2 O6
ICOOR_INTERNAL O7 -87.724049 72.729684 1.430772 C4 C3 C2
ICOOR_INTERNAL C5 115.247718 75.757237 1.529882 C4 C3 O7
ICOOR_INTERNAL N1 109.853557 65.106942 1.479955 C5 C4 C3
ICOOR_INTERNAL C6 129.126641 61.046915 1.348949 N1 C5 C4
ICOOR_INTERNAL C7 179.422981 59.028250 1.398776 C6 N1 C5
ICOOR_INTERNAL C8 -179.838935 59.558861 1.504526 C7 C6 N1
ICOOR_INTERNAL O8 -144.197334 59.570221 1.216970 C8 C7 C6
ICOOR_INTERNAL N2 179.730206 61.056340 1.334139 C8 C7 O8
ICOOR_INTERNAL C9 -179.824325 60.764152 1.391197 C7 C6 C8
ICOOR_INTERNAL C10 -0.917016 61.043542 1.393112 C9 C7 C6
ICOOR_INTERNAL C11 0.661881 60.584940 1.392828 C10 C9 C7
PDB_ROTAMERS X00_conformers.pdb