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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
P1P P1P '3-{[OXIDO(OXO)PHOSPHINO]OXY}PROPAN-1' non-polymer 15 8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_P1P
#
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
P1P "O3'" O O -1.000 0.000 0.000 0.000
P1P "C3'" C CH2 0.000 -1.299 -0.584 0.118
P1P "H3'1" H H 0.000 -1.412 -1.021 1.112
P1P "H3'2" H H 0.000 -1.417 -1.364 -0.637
P1P "C4'" C CH2 0.000 -2.364 0.494 -0.091
P1P "H4'1" H H 0.000 -2.249 0.930 -1.086
P1P "H4'2" H H 0.000 -2.244 1.275 0.663
P1P "C5'" C CH2 0.000 -3.755 -0.130 0.036
P1P "H5'" H H 0.000 -3.868 -0.566 1.030
P1P "H5''" H H 0.000 -3.873 -0.911 -0.718
P1P "O5'" O O2 0.000 -4.749 0.876 -0.160
P1P P P P 1.000 -6.277 0.103 -0.004
P1P HP H H 0.000 -6.109 0.048 1.368
P1P OP1 O OP -1.000 -7.576 0.963 0.190
P1P OP2 O OP 0.000 -6.373 -1.463 -0.054
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
P1P "O3'" n/a "C3'" START
P1P "C3'" "O3'" "C4'" .
P1P "H3'1" "C3'" . .
P1P "H3'2" "C3'" . .
P1P "C4'" "C3'" "C5'" .
P1P "H4'1" "C4'" . .
P1P "H4'2" "C4'" . .
P1P "C5'" "C4'" "O5'" .
P1P "H5'" "C5'" . .
P1P "H5''" "C5'" . .
P1P "O5'" "C5'" P .
P1P P "O5'" OP2 .
P1P HP P . .
P1P OP1 P . .
P1P OP2 P . END
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
P1P OP1 P single 1.610 0.020
P1P OP2 P double 1.480 0.020
P1P P "O5'" single 1.610 0.020
P1P "O5'" "C5'" single 1.426 0.020
P1P "C5'" "C4'" single 1.524 0.020
P1P "H5'" "C5'" single 1.092 0.020
P1P "H5''" "C5'" single 1.092 0.020
P1P "C4'" "C3'" single 1.524 0.020
P1P "H4'1" "C4'" single 1.092 0.020
P1P "H4'2" "C4'" single 1.092 0.020
P1P "C3'" "O3'" single 1.420 0.020
P1P "H3'1" "C3'" single 1.092 0.020
P1P "H3'2" "C3'" single 1.092 0.020
P1P HP P single 1.383 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
P1P "O3'" "C3'" "H3'1" 109.470 3.000
P1P "O3'" "C3'" "H3'2" 109.470 3.000
P1P "O3'" "C3'" "C4'" 109.470 3.000
P1P "H3'1" "C3'" "H3'2" 107.900 3.000
P1P "H3'1" "C3'" "C4'" 109.470 3.000
P1P "H3'2" "C3'" "C4'" 109.470 3.000
P1P "C3'" "C4'" "H4'1" 109.470 3.000
P1P "C3'" "C4'" "H4'2" 109.470 3.000
P1P "C3'" "C4'" "C5'" 111.000 3.000
P1P "H4'1" "C4'" "H4'2" 107.900 3.000
P1P "H4'1" "C4'" "C5'" 109.470 3.000
P1P "H4'2" "C4'" "C5'" 109.470 3.000
P1P "C4'" "C5'" "H5'" 109.470 3.000
P1P "C4'" "C5'" "H5''" 109.470 3.000
P1P "C4'" "C5'" "O5'" 109.470 3.000
P1P "H5'" "C5'" "H5''" 107.900 3.000
P1P "H5'" "C5'" "O5'" 109.470 3.000
P1P "H5''" "C5'" "O5'" 109.470 3.000
P1P "C5'" "O5'" P 120.500 3.000
P1P "O5'" P HP 109.500 3.000
P1P "O5'" P OP1 108.200 3.000
P1P "O5'" P OP2 108.200 3.000
P1P HP P OP1 109.500 3.000
P1P HP P OP2 109.500 3.000
P1P OP1 P OP2 119.900 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
P1P var_1 "O3'" "C3'" "C4'" "C5'" -179.954 20.000 3
P1P var_2 "C3'" "C4'" "C5'" "O5'" -179.991 20.000 3
P1P var_3 "C4'" "C5'" "O5'" P 179.959 20.000 1
P1P var_4 "C5'" "O5'" P OP2 -14.968 20.000 1
# ------------------------------------------------------
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