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|
global_
_lib_name ?
_lib_version ?
_lib_update ?
# ------------------------------------------------
#
# --- LIST OF MONOMERS ---
#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
AP0 AP0 'ACETYL PYRIDINE ADENINE DINUCLEOTIDE' non-polymer 74 44 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_AP0
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
AP0 O2A O OP -0.500 0.000 0.000 0.000
AP0 PA P P 0.000 0.000 0.000 0.000
AP0 O1A O OP -0.500 0.000 0.000 0.000
AP0 O3 O O2 0.000 0.000 0.000 0.000
AP0 PN P P 0.000 0.000 0.000 0.000
AP0 O1N O OP -0.500 0.000 0.000 0.000
AP0 O2N O OP -0.500 0.000 0.000 0.000
AP0 O5D O O2 0.000 0.000 0.000 0.000
AP0 C5D C CH2 0.000 0.000 0.000 0.000
AP0 "H5'1" H H 0.000 0.000 0.000 0.000
AP0 "H5'2" H H 0.000 0.000 0.000 0.000
AP0 C4D C CH1 0.000 0.000 0.000 0.000
AP0 "H4'" H H 0.000 0.000 0.000 0.000
AP0 C3D C CH1 0.000 0.000 0.000 0.000
AP0 H12 H H 0.000 0.000 0.000 0.000
AP0 O3D O OH1 0.000 0.000 0.000 0.000
AP0 H13 H H 0.000 0.000 0.000 0.000
AP0 C2D C CH1 0.000 0.000 0.000 0.000
AP0 H14 H H 0.000 0.000 0.000 0.000
AP0 O2D O OH1 0.000 0.000 0.000 0.000
AP0 H15 H H 0.000 0.000 0.000 0.000
AP0 O4D O O2 0.000 0.000 0.000 0.000
AP0 C1D C CH1 0.000 0.000 0.000 0.000
AP0 "H1'" H H 0.000 0.000 0.000 0.000
AP0 N1N N NR6 0.000 0.000 0.000 0.000
AP0 C6N C CR16 0.000 0.000 0.000 0.000
AP0 H6 H H 0.000 0.000 0.000 0.000
AP0 C5N C CR16 0.000 0.000 0.000 0.000
AP0 H5 H H 0.000 0.000 0.000 0.000
AP0 C4N C CH2 0.000 0.000 0.000 0.000
AP0 H42 H H 0.000 0.000 0.000 0.000
AP0 H41 H H 0.000 0.000 0.000 0.000
AP0 C2N C CR16 0.000 0.000 0.000 0.000
AP0 H2 H H 0.000 0.000 0.000 0.000
AP0 C3N C CR6 0.000 0.000 0.000 0.000
AP0 C7N C CH1 0.000 0.000 0.000 0.000
AP0 H7 H H 0.000 0.000 0.000 0.000
AP0 C8N C CH3 0.000 0.000 0.000 0.000
AP0 H83 H H 0.000 0.000 0.000 0.000
AP0 H82 H H 0.000 0.000 0.000 0.000
AP0 H81 H H 0.000 0.000 0.000 0.000
AP0 O7N O OH1 0.000 0.000 0.000 0.000
AP0 HO7 H H 0.000 0.000 0.000 0.000
AP0 O5B O O2 0.000 0.000 0.000 0.000
AP0 C5B C CH2 0.000 0.000 0.000 0.000
AP0 H11 H H 0.000 0.000 0.000 0.000
AP0 H12X H H 0.000 0.000 0.000 0.000
AP0 C4B C CH1 0.000 0.000 0.000 0.000
AP0 H3 H H 0.000 0.000 0.000 0.000
AP0 C3B C CH1 0.000 0.000 0.000 0.000
AP0 "H3'" H H 0.000 0.000 0.000 0.000
AP0 O3B O OH1 0.000 0.000 0.000 0.000
AP0 H9 H H 0.000 0.000 0.000 0.000
AP0 C2B C CH1 0.000 0.000 0.000 0.000
AP0 "H2'" H H 0.000 0.000 0.000 0.000
AP0 O2B O OH1 0.000 0.000 0.000 0.000
AP0 H8 H H 0.000 0.000 0.000 0.000
AP0 C1B C CH1 0.000 0.000 0.000 0.000
AP0 H4 H H 0.000 0.000 0.000 0.000
AP0 O4B O O2 0.000 0.000 0.000 0.000
AP0 N9A N NR5 0.000 0.000 0.000 0.000
AP0 C4A C CR56 0.000 0.000 0.000 0.000
AP0 C5A C CR56 0.000 0.000 0.000 0.000
AP0 N7A N NRD5 0.000 0.000 0.000 0.000
AP0 C8A C CR15 0.000 0.000 0.000 0.000
AP0 H10 H H 0.000 0.000 0.000 0.000
AP0 N3A N NRD6 0.000 0.000 0.000 0.000
AP0 C2A C CR16 0.000 0.000 0.000 0.000
AP0 H111 H H 0.000 0.000 0.000 0.000
AP0 N1A N NRD6 0.000 0.000 0.000 0.000
AP0 C6A C CR6 0.000 0.000 0.000 0.000
AP0 N6A N NH2 0.000 0.000 0.000 0.000
AP0 HN62 H H 0.000 0.000 0.000 0.000
AP0 HN61 H H 0.000 0.000 0.000 0.000
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
AP0 O2A n/a PA START
AP0 PA O2A O5B .
AP0 O1A PA . .
AP0 O3 PA PN .
AP0 PN O3 O5D .
AP0 O1N PN . .
AP0 O2N PN . .
AP0 O5D PN C5D .
AP0 C5D O5D C4D .
AP0 "H5'1" C5D . .
AP0 "H5'2" C5D . .
AP0 C4D C5D O4D .
AP0 "H4'" C4D . .
AP0 C3D C4D C2D .
AP0 H12 C3D . .
AP0 O3D C3D H13 .
AP0 H13 O3D . .
AP0 C2D C3D O2D .
AP0 H14 C2D . .
AP0 O2D C2D H15 .
AP0 H15 O2D . .
AP0 O4D C4D C1D .
AP0 C1D O4D N1N .
AP0 "H1'" C1D . .
AP0 N1N C1D C2N .
AP0 C6N N1N C5N .
AP0 H6 C6N . .
AP0 C5N C6N C4N .
AP0 H5 C5N . .
AP0 C4N C5N H41 .
AP0 H42 C4N . .
AP0 H41 C4N . .
AP0 C2N N1N C3N .
AP0 H2 C2N . .
AP0 C3N C2N C7N .
AP0 C7N C3N O7N .
AP0 H7 C7N . .
AP0 C8N C7N H81 .
AP0 H83 C8N . .
AP0 H82 C8N . .
AP0 H81 C8N . .
AP0 O7N C7N HO7 .
AP0 HO7 O7N . .
AP0 O5B PA C5B .
AP0 C5B O5B C4B .
AP0 H11 C5B . .
AP0 H12X C5B . .
AP0 C4B C5B C3B .
AP0 H3 C4B . .
AP0 C3B C4B C2B .
AP0 "H3'" C3B . .
AP0 O3B C3B H9 .
AP0 H9 O3B . .
AP0 C2B C3B C1B .
AP0 "H2'" C2B . .
AP0 O2B C2B H8 .
AP0 H8 O2B . .
AP0 C1B C2B N9A .
AP0 H4 C1B . .
AP0 O4B C1B . .
AP0 N9A C1B C4A .
AP0 C4A N9A N3A .
AP0 C5A C4A N7A .
AP0 N7A C5A C8A .
AP0 C8A N7A H10 .
AP0 H10 C8A . .
AP0 N3A C4A C2A .
AP0 C2A N3A N1A .
AP0 H111 C2A . .
AP0 N1A C2A C6A .
AP0 C6A N1A N6A .
AP0 N6A C6A HN61 .
AP0 HN62 N6A . .
AP0 HN61 N6A . END
AP0 C3N C4N . ADD
AP0 C1D C2D . ADD
AP0 C4B O4B . ADD
AP0 N9A C8A . ADD
AP0 C5A C6A . ADD
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
AP0 O7N C7N single 1.432 0.020
AP0 HO7 O7N single 0.967 0.020
AP0 C8N C7N single 1.524 0.020
AP0 C7N C3N single 1.480 0.020
AP0 H7 C7N single 1.099 0.020
AP0 H81 C8N single 1.059 0.020
AP0 H82 C8N single 1.059 0.020
AP0 H83 C8N single 1.059 0.020
AP0 C3N C4N single 1.511 0.020
AP0 C3N C2N double 1.390 0.020
AP0 C4N C5N single 1.457 0.020
AP0 H41 C4N single 1.092 0.020
AP0 H42 C4N single 1.092 0.020
AP0 C5N C6N double 1.390 0.020
AP0 H5 C5N single 1.083 0.020
AP0 C6N N1N single 1.337 0.020
AP0 H6 C6N single 1.083 0.020
AP0 C2N N1N single 1.337 0.020
AP0 H2 C2N single 1.083 0.020
AP0 N1N C1D single 1.465 0.020
AP0 C1D C2D single 1.524 0.020
AP0 C1D O4D single 1.426 0.020
AP0 "H1'" C1D single 1.099 0.020
AP0 O2D C2D single 1.432 0.020
AP0 C2D C3D single 1.524 0.020
AP0 H14 C2D single 1.099 0.020
AP0 H15 O2D single 0.967 0.020
AP0 O3D C3D single 1.432 0.020
AP0 C3D C4D single 1.524 0.020
AP0 H12 C3D single 1.099 0.020
AP0 H13 O3D single 0.967 0.020
AP0 O4D C4D single 1.426 0.020
AP0 C4D C5D single 1.524 0.020
AP0 "H4'" C4D single 1.099 0.020
AP0 C5D O5D single 1.426 0.020
AP0 "H5'1" C5D single 1.092 0.020
AP0 "H5'2" C5D single 1.092 0.020
AP0 O5D PN single 1.610 0.020
AP0 O1N PN deloc 1.510 0.020
AP0 O2N PN deloc 1.510 0.020
AP0 PN O3 single 1.610 0.020
AP0 O3 PA single 1.610 0.020
AP0 O1A PA deloc 1.510 0.020
AP0 PA O2A deloc 1.510 0.020
AP0 O5B PA single 1.610 0.020
AP0 C5B O5B single 1.426 0.020
AP0 C4B C5B single 1.524 0.020
AP0 H11 C5B single 1.092 0.020
AP0 H12X C5B single 1.092 0.020
AP0 C4B O4B single 1.426 0.020
AP0 C3B C4B single 1.524 0.020
AP0 H3 C4B single 1.099 0.020
AP0 O4B C1B single 1.426 0.020
AP0 C1B C2B single 1.524 0.020
AP0 N9A C1B single 1.485 0.020
AP0 H4 C1B single 1.099 0.020
AP0 O2B C2B single 1.432 0.020
AP0 C2B C3B single 1.524 0.020
AP0 "H2'" C2B single 1.099 0.020
AP0 H8 O2B single 0.967 0.020
AP0 O3B C3B single 1.432 0.020
AP0 "H3'" C3B single 1.099 0.020
AP0 H9 O3B single 0.967 0.020
AP0 N9A C8A single 1.337 0.020
AP0 C4A N9A single 1.337 0.020
AP0 C8A N7A double 1.350 0.020
AP0 H10 C8A single 1.083 0.020
AP0 N7A C5A single 1.350 0.020
AP0 C5A C6A double 1.490 0.020
AP0 C5A C4A single 1.490 0.020
AP0 N6A C6A single 1.355 0.020
AP0 C6A N1A single 1.350 0.020
AP0 HN61 N6A single 1.010 0.020
AP0 HN62 N6A single 1.010 0.020
AP0 N3A C4A double 1.355 0.020
AP0 C2A N3A single 1.337 0.020
AP0 N1A C2A double 1.337 0.020
AP0 H111 C2A single 1.083 0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
AP0 O2A PA O1A 119.900 3.000
AP0 O2A PA O3 108.200 3.000
AP0 O2A PA O5B 108.200 3.000
AP0 O1A PA O3 108.200 3.000
AP0 O1A PA O5B 108.200 3.000
AP0 O3 PA O5B 102.600 3.000
AP0 PA O3 PN 120.500 3.000
AP0 O3 PN O1N 108.200 3.000
AP0 O3 PN O2N 108.200 3.000
AP0 O3 PN O5D 102.600 3.000
AP0 O1N PN O2N 119.900 3.000
AP0 O1N PN O5D 108.200 3.000
AP0 O2N PN O5D 108.200 3.000
AP0 PN O5D C5D 120.500 3.000
AP0 O5D C5D "H5'1" 109.470 3.000
AP0 O5D C5D "H5'2" 109.470 3.000
AP0 O5D C5D C4D 109.470 3.000
AP0 "H5'1" C5D "H5'2" 107.900 3.000
AP0 "H5'1" C5D C4D 109.470 3.000
AP0 "H5'2" C5D C4D 109.470 3.000
AP0 C5D C4D "H4'" 108.340 3.000
AP0 C5D C4D C3D 111.000 3.000
AP0 C5D C4D O4D 109.470 3.000
AP0 "H4'" C4D C3D 108.340 3.000
AP0 "H4'" C4D O4D 109.470 3.000
AP0 C3D C4D O4D 109.470 3.000
AP0 C4D C3D H12 108.340 3.000
AP0 C4D C3D O3D 109.470 3.000
AP0 C4D C3D C2D 111.000 3.000
AP0 H12 C3D O3D 109.470 3.000
AP0 H12 C3D C2D 108.340 3.000
AP0 O3D C3D C2D 109.470 3.000
AP0 C3D O3D H13 109.470 3.000
AP0 C3D C2D H14 108.340 3.000
AP0 C3D C2D O2D 109.470 3.000
AP0 C3D C2D C1D 111.000 3.000
AP0 H14 C2D O2D 109.470 3.000
AP0 H14 C2D C1D 108.340 3.000
AP0 O2D C2D C1D 109.470 3.000
AP0 C2D O2D H15 109.470 3.000
AP0 C4D O4D C1D 111.800 3.000
AP0 O4D C1D "H1'" 109.470 3.000
AP0 O4D C1D N1N 109.470 3.000
AP0 O4D C1D C2D 109.470 3.000
AP0 "H1'" C1D N1N 109.470 3.000
AP0 "H1'" C1D C2D 108.340 3.000
AP0 N1N C1D C2D 109.470 3.000
AP0 C1D N1N C6N 120.000 3.000
AP0 C1D N1N C2N 120.000 3.000
AP0 C6N N1N C2N 120.000 3.000
AP0 N1N C6N H6 120.000 3.000
AP0 N1N C6N C5N 120.000 3.000
AP0 H6 C6N C5N 120.000 3.000
AP0 C6N C5N H5 120.000 3.000
AP0 C6N C5N C4N 120.000 3.000
AP0 H5 C5N C4N 120.000 3.000
AP0 C5N C4N H42 109.470 3.000
AP0 C5N C4N H41 109.470 3.000
AP0 C5N C4N C3N 109.500 3.000
AP0 H42 C4N H41 107.900 3.000
AP0 H42 C4N C3N 109.470 3.000
AP0 H41 C4N C3N 109.470 3.000
AP0 N1N C2N H2 120.000 3.000
AP0 N1N C2N C3N 120.000 3.000
AP0 H2 C2N C3N 120.000 3.000
AP0 C2N C3N C7N 120.000 3.000
AP0 C2N C3N C4N 120.000 3.000
AP0 C7N C3N C4N 120.000 3.000
AP0 C3N C7N H7 109.470 3.000
AP0 C3N C7N C8N 109.470 3.000
AP0 C3N C7N O7N 109.470 3.000
AP0 H7 C7N C8N 108.340 3.000
AP0 H7 C7N O7N 109.470 3.000
AP0 C8N C7N O7N 109.470 3.000
AP0 C7N C8N H83 109.470 3.000
AP0 C7N C8N H82 109.470 3.000
AP0 C7N C8N H81 109.470 3.000
AP0 H83 C8N H82 109.470 3.000
AP0 H83 C8N H81 109.470 3.000
AP0 H82 C8N H81 109.470 3.000
AP0 C7N O7N HO7 109.470 3.000
AP0 PA O5B C5B 120.500 3.000
AP0 O5B C5B H11 109.470 3.000
AP0 O5B C5B H12X 109.470 3.000
AP0 O5B C5B C4B 109.470 3.000
AP0 H11 C5B H12X 107.900 3.000
AP0 H11 C5B C4B 109.470 3.000
AP0 H12X C5B C4B 109.470 3.000
AP0 C5B C4B H3 108.340 3.000
AP0 C5B C4B C3B 111.000 3.000
AP0 C5B C4B O4B 109.470 3.000
AP0 H3 C4B C3B 108.340 3.000
AP0 H3 C4B O4B 109.470 3.000
AP0 C3B C4B O4B 109.470 3.000
AP0 C4B C3B "H3'" 108.340 3.000
AP0 C4B C3B O3B 109.470 3.000
AP0 C4B C3B C2B 111.000 3.000
AP0 "H3'" C3B O3B 109.470 3.000
AP0 "H3'" C3B C2B 108.340 3.000
AP0 O3B C3B C2B 109.470 3.000
AP0 C3B O3B H9 109.470 3.000
AP0 C3B C2B "H2'" 108.340 3.000
AP0 C3B C2B O2B 109.470 3.000
AP0 C3B C2B C1B 111.000 3.000
AP0 "H2'" C2B O2B 109.470 3.000
AP0 "H2'" C2B C1B 108.340 3.000
AP0 O2B C2B C1B 109.470 3.000
AP0 C2B O2B H8 109.470 3.000
AP0 C2B C1B H4 108.340 3.000
AP0 C2B C1B O4B 109.470 3.000
AP0 C2B C1B N9A 109.470 3.000
AP0 H4 C1B O4B 109.470 3.000
AP0 H4 C1B N9A 109.470 3.000
AP0 O4B C1B N9A 109.470 3.000
AP0 C1B O4B C4B 111.800 3.000
AP0 C1B N9A C4A 126.000 3.000
AP0 C1B N9A C8A 126.000 3.000
AP0 C4A N9A C8A 108.000 3.000
AP0 N9A C4A C5A 108.000 3.000
AP0 N9A C4A N3A 132.000 3.000
AP0 C5A C4A N3A 120.000 3.000
AP0 C4A C5A N7A 108.000 3.000
AP0 C4A C5A C6A 120.000 3.000
AP0 N7A C5A C6A 132.000 3.000
AP0 C5A N7A C8A 108.000 3.000
AP0 N7A C8A H10 126.000 3.000
AP0 N7A C8A N9A 108.000 3.000
AP0 H10 C8A N9A 126.000 3.000
AP0 C4A N3A C2A 120.000 3.000
AP0 N3A C2A H111 120.000 3.000
AP0 N3A C2A N1A 120.000 3.000
AP0 H111 C2A N1A 120.000 3.000
AP0 C2A N1A C6A 120.000 3.000
AP0 N1A C6A N6A 120.000 3.000
AP0 N1A C6A C5A 120.000 3.000
AP0 N6A C6A C5A 120.000 3.000
AP0 C6A N6A HN62 120.000 3.000
AP0 C6A N6A HN61 120.000 3.000
AP0 HN62 N6A HN61 120.000 3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
AP0 var_1 O2A PA O3 PN 0.000 20.000 1
AP0 var_2 PA O3 PN O5D 0.000 20.000 1
AP0 var_3 O3 PN O5D C5D 0.000 20.000 1
AP0 var_4 PN O5D C5D C4D 0.000 20.000 1
AP0 var_5 O5D C5D C4D O4D 0.000 20.000 3
AP0 var_6 C5D C4D C3D C2D 0.000 20.000 3
AP0 var_7 C4D C3D O3D H13 0.000 20.000 1
AP0 var_8 C4D C3D C2D O2D 0.000 20.000 3
AP0 var_9 C3D C2D O2D H15 0.000 20.000 1
AP0 var_10 C5D C4D O4D C1D 0.000 20.000 1
AP0 var_11 C4D O4D C1D N1N 0.000 20.000 1
AP0 var_12 O4D C1D C2D C3D 0.000 20.000 3
AP0 var_13 O4D C1D N1N C2N 0.000 20.000 1
AP0 CONST_1 C1D N1N C6N C5N 0.000 0.000 0
AP0 CONST_2 N1N C6N C5N C4N 0.000 0.000 0
AP0 CONST_3 C6N C5N C4N C3N 0.000 0.000 0
AP0 CONST_4 C1D N1N C2N C3N 0.000 0.000 0
AP0 CONST_5 N1N C2N C3N C7N 0.000 0.000 0
AP0 CONST_6 C2N C3N C4N C5N 0.000 0.000 0
AP0 var_14 C2N C3N C7N O7N 0.000 20.000 1
AP0 var_15 C3N C7N C8N H81 0.000 20.000 3
AP0 var_16 C3N C7N O7N HO7 0.000 20.000 1
AP0 var_17 O2A PA O5B C5B 0.000 20.000 1
AP0 var_18 PA O5B C5B C4B 0.000 20.000 1
AP0 var_19 O5B C5B C4B C3B 0.000 20.000 3
AP0 var_20 C5B C4B O4B C1B 0.000 20.000 1
AP0 var_21 C5B C4B C3B C2B 0.000 20.000 3
AP0 var_22 C4B C3B O3B H9 0.000 20.000 1
AP0 var_23 C4B C3B C2B C1B 0.000 20.000 3
AP0 var_24 C3B C2B O2B H8 0.000 20.000 1
AP0 var_25 C3B C2B C1B N9A 0.000 20.000 3
AP0 var_26 C2B C1B O4B C4B 0.000 20.000 1
AP0 var_27 C2B C1B N9A C4A 0.000 20.000 1
AP0 CONST_7 C1B N9A C8A N7A 0.000 0.000 0
AP0 CONST_8 C1B N9A C4A N3A 0.000 0.000 0
AP0 CONST_9 N9A C4A C5A N7A 0.000 0.000 0
AP0 CONST_10 C4A C5A C6A N1A 0.000 0.000 0
AP0 CONST_11 C4A C5A N7A C8A 0.000 0.000 0
AP0 CONST_12 C5A N7A C8A N9A 0.000 0.000 0
AP0 CONST_13 N9A C4A N3A C2A 0.000 0.000 0
AP0 CONST_14 C4A N3A C2A N1A 0.000 0.000 0
AP0 CONST_15 N3A C2A N1A C6A 0.000 0.000 0
AP0 CONST_16 C2A N1A C6A N6A 0.000 0.000 0
AP0 CONST_17 N1A C6A N6A HN61 0.000 0.000 0
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
AP0 chir_01 C7N O7N C8N C3N positiv
AP0 chir_02 C1D N1N C2D O4D positiv
AP0 chir_03 C2D C1D O2D C3D positiv
AP0 chir_04 C3D C2D O3D C4D positiv
AP0 chir_05 C4D C3D O4D C5D positiv
AP0 chir_06 C4B C5B O4B C3B positiv
AP0 chir_07 C1B O4B C2B N9A positiv
AP0 chir_08 C2B C1B O2B C3B positiv
AP0 chir_09 C3B C4B C2B O3B positiv
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
AP0 plan-1 C3N 0.020
AP0 plan-1 C7N 0.020
AP0 plan-1 C4N 0.020
AP0 plan-1 C2N 0.020
AP0 plan-1 C5N 0.020
AP0 plan-1 C6N 0.020
AP0 plan-1 N1N 0.020
AP0 plan-1 H5 0.020
AP0 plan-1 H6 0.020
AP0 plan-1 H2 0.020
AP0 plan-1 C1D 0.020
AP0 plan-2 N9A 0.020
AP0 plan-2 C1B 0.020
AP0 plan-2 C8A 0.020
AP0 plan-2 C4A 0.020
AP0 plan-2 N7A 0.020
AP0 plan-2 H10 0.020
AP0 plan-2 C5A 0.020
AP0 plan-2 C6A 0.020
AP0 plan-2 N3A 0.020
AP0 plan-2 C2A 0.020
AP0 plan-2 N1A 0.020
AP0 plan-2 N6A 0.020
AP0 plan-2 H111 0.020
AP0 plan-2 HN62 0.020
AP0 plan-2 HN61 0.020
AP0 plan-3 N6A 0.020
AP0 plan-3 C6A 0.020
AP0 plan-3 HN61 0.020
AP0 plan-3 HN62 0.020
# ------------------------------------------------------
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