# 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 4NC 4NC '4-NITROCATECHOL ' non-polymer 16 11 M # data_comp_4NC # 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 4NC C1 C . 0.000 4NC C2 C . 0.000 4NC C3 C . 0.000 4NC C4 C . 0.000 4NC C5 C . 0.000 4NC C6 C . 0.000 4NC O7 O . 0.000 4NC O8 O . 0.000 4NC N9 N . 0.000 4NC O10 O . 0.000 4NC O11 O . 0.000 4NC HO7 H . 0.000 4NC HO8 H . 0.000 4NC H3 H . 0.000 4NC H5 H . 0.000 4NC H6 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 4NC C1 C2 double 4NC C1 C6 single 4NC C1 O7 single 4NC C2 C3 single 4NC C2 O8 single 4NC C3 C4 double 4NC C3 H3 single 4NC C4 C5 single 4NC C4 N9 single 4NC C5 C6 double 4NC C5 H5 single 4NC C6 H6 single 4NC O7 HO7 single 4NC O8 HO8 single 4NC N9 O10 double 4NC N9 O11 double