# 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 PAQ PAQ '2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDI' non-polymer 38 22 M # data_comp_PAQ # 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 PAQ N N . 0.000 PAQ CA C . 0.000 PAQ CB C . 0.000 PAQ CG C . 0.000 PAQ CD1 C . 0.000 PAQ O2 O . 0.000 PAQ CD2 C . 0.000 PAQ CE1 C . 0.000 PAQ CE2 C . 0.000 PAQ CZ C . 0.000 PAQ OH O . 0.000 PAQ N1 N . 0.000 PAQ N2 N . 0.000 PAQ C1 C . 0.000 PAQ C2 C . 0.000 PAQ C3 C . 0.000 PAQ C4 C . 0.000 PAQ C5 C . 0.000 PAQ N3 N . 0.000 PAQ C C . 0.000 PAQ O O . 0.000 PAQ OXT O . 0.000 PAQ HN1 H . 0.000 PAQ HN2 H . 0.000 PAQ HA H . 0.000 PAQ HB1 H . 0.000 PAQ HB2 H . 0.000 PAQ HG H . 0.000 PAQ HD2 H . 0.000 PAQ HE1 H . 0.000 PAQ HOH H . 0.000 PAQ H_N1 H . 0.000 PAQ H_N2 H . 0.000 PAQ H2 H . 0.000 PAQ H3 H . 0.000 PAQ H4 H . 0.000 PAQ H5 H . 0.000 PAQ HXT H . 0.000 loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type PAQ N CA single PAQ N HN1 single PAQ N HN2 single PAQ CA CB single PAQ CA C single PAQ CA HA single PAQ CB CG single PAQ CB HB1 single PAQ CB HB2 single PAQ CG CD1 single PAQ CG CD2 single PAQ CG HG single PAQ CD1 CE1 single PAQ CD1 O2 double PAQ CD2 CE2 double PAQ CD2 HD2 single PAQ CE1 CZ double PAQ CE1 HE1 single PAQ CE2 CZ single PAQ CE2 N1 single PAQ CZ OH single PAQ OH HOH single PAQ N1 N2 single PAQ N1 H_N1 single PAQ N2 C1 single PAQ N2 H_N2 single PAQ C1 C2 single PAQ C1 N3 double PAQ C2 C3 double PAQ C2 H2 single PAQ C3 C4 single PAQ C3 H3 single PAQ C4 C5 double PAQ C4 H4 single PAQ C5 N3 single PAQ C5 H5 single PAQ C O double PAQ C OXT single PAQ OXT HXT single