# 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 NPA NPA '2-(4-HYDROXY-3-NITROPHENYL)ACETIC AC' non-polymer 21 14 M # data_comp_NPA # 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 NPA C1 C . 0.000 NPA C2 C . 0.000 NPA C3 C . 0.000 NPA C4 C . 0.000 NPA C5 C . 0.000 NPA C6 C . 0.000 NPA C7 C . 0.000 NPA C8 C . 0.000 NPA N1 N . 0.000 NPA O1 O . 0.000 NPA O2 O . 0.000 NPA O3 O . 0.000 NPA O4 O . 0.000 NPA O5 O . 0.000 NPA H2 H . 0.000 NPA H5 H . 0.000 NPA H6 H . 0.000 NPA H71 H . 0.000 NPA H72 H . 0.000 NPA HO3 H . 0.000 NPA HO5 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 NPA C1 C2 double NPA C1 C6 single NPA C1 C7 single NPA C2 C3 single NPA C2 H2 single NPA C3 C4 double NPA C3 N1 single NPA C4 C5 single NPA C4 O3 single NPA C5 C6 double NPA C5 H5 single NPA C6 H6 single NPA C7 C8 single NPA C7 H71 single NPA C7 H72 single NPA C8 O4 double NPA C8 O5 single NPA N1 O1 double NPA N1 O2 double NPA O3 HO3 single NPA O5 HO5 single