# 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 PGH . 'PHOSPHOGLYCOLOHYDROXAMIC ACID ' non-polymer 16 10 . # data_comp_PGH # 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 PGH O2P O OP 0.000 PGH P P P 0.000 PGH O3P O OH1 0.000 PGH HOP3 H HOH1 0.000 PGH O4P O OH1 0.000 PGH HOP4 H HOH1 0.000 PGH O1P O O2 0.000 PGH C2 C CH2 0.000 PGH H21 H HCH2 0.000 PGH H22 H HCH2 0.000 PGH C1 C C 0.000 PGH O1 O O 0.000 PGH N2 N NH1 0.000 PGH HN H HNH1 0.000 PGH O2 O OH1 0.000 PGH HO2 H HOH1 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 PGH O2P n/a P START PGH P O2P O1P . PGH O3P P HOP3 . PGH HOP3 O3P . . PGH O4P P HOP4 . PGH HOP4 O4P . . PGH O1P P C2 . PGH C2 O1P C1 . PGH H21 C2 . . PGH H22 C2 . . PGH C1 C2 N2 . PGH O1 C1 . . PGH N2 C1 O2 . PGH HN N2 . . PGH O2 N2 HO2 . PGH HO2 O2 . 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 PGH P O2P coval 1.480 0.020 PGH O3P P coval 1.540 0.020 PGH HOP3 O3P coval 0.980 0.020 PGH O4P P coval 1.540 0.020 PGH HOP4 O4P coval 0.980 0.020 PGH O1P P coval 1.610 0.020 PGH C2 O1P coval 1.410 0.020 PGH H21 C2 coval 1.090 0.020 PGH H22 C2 coval 1.090 0.020 PGH C1 C2 coval 1.510 0.020 PGH O1 C1 coval 1.410 0.020 PGH N2 C1 coval 1.330 0.020 PGH HN N2 coval 1.010 0.020 PGH O2 N2 coval 1.360 0.020 PGH HO2 O2 coval 0.980 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 PGH O2P P O3P 109.500 3.000 PGH O2P P O4P 109.500 3.000 PGH O2P P O1P 108.200 3.000 PGH O3P P O4P 109.500 3.000 PGH O3P P O1P 109.500 3.000 PGH O4P P O1P 109.500 3.000 PGH P O3P HOP3 120.000 3.000 PGH P O4P HOP4 120.000 3.000 PGH P O1P C2 120.500 3.000 PGH O1P C2 H21 109.470 3.000 PGH O1P C2 H22 109.470 3.000 PGH O1P C2 C1 109.500 3.000 PGH H21 C2 H22 107.900 3.000 PGH H21 C2 C1 109.470 3.000 PGH H22 C2 C1 109.470 3.000 PGH C2 C1 O1 120.500 3.000 PGH C2 C1 N2 116.500 3.000 PGH O1 C1 N2 123.000 3.000 PGH C1 N2 HN 120.000 3.000 PGH C1 N2 O2 120.000 3.000 PGH HN N2 O2 120.200 3.000 PGH N2 O2 HO2 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 PGH var_1 O2P P O3P HOP3 0.000 20.000 1 PGH var_2 O2P P O4P HOP4 0.000 20.000 1 PGH var_3 O2P P O1P C2 176.880 20.000 1 PGH var_4 P O1P C2 C1 145.201 20.000 1 PGH var_5 O1P C2 C1 N2 14.799 20.000 3 PGH CONST_1 C2 C1 N2 O2 180.000 0.000 0 PGH var_6 C1 N2 O2 HO2 0.000 20.000 1 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 PGH plan-1 C1 0.020 PGH plan-1 C2 0.020 PGH plan-1 N2 0.020 PGH plan-1 O1 0.020