# 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 NAB NAB '2-((4"-HYDROXYNAPHTHYL)-AZO)BENZOIC ' non-polymer 34 22 M # data_comp_NAB # 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 NAB C1 C . 0.000 NAB C2 C . 0.000 NAB C3 C . 0.000 NAB C4 C . 0.000 NAB C5 C . 0.000 NAB C6 C . 0.000 NAB 'C1'' C . 0.000 NAB 'C2'' C . 0.000 NAB 'C3'' C . 0.000 NAB 'C4'' C . 0.000 NAB C4A C . 0.000 NAB 'C5'' C . 0.000 NAB 'C6'' C . 0.000 NAB 'C7'' C . 0.000 NAB 'C8'' C . 0.000 NAB C8A C . 0.000 NAB C C . 0.000 NAB N1 N . 0.000 NAB 'N1'' N . 0.000 NAB O O . 0.000 NAB OXT O . 0.000 NAB 'O4'' O . 0.000 NAB H3 H . 0.000 NAB H4 H . 0.000 NAB H5 H . 0.000 NAB H6 H . 0.000 NAB 'H2'' H . 0.000 NAB 'H3'' H . 0.000 NAB 'H5'' H . 0.000 NAB 'H6'' H . 0.000 NAB 'H7'' H . 0.000 NAB 'H8'' H . 0.000 NAB HXT H . 0.000 NAB 'HO4'' 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 NAB C1 C2 single NAB C1 C6 double NAB C1 N1 single NAB C2 C3 double NAB C2 C single NAB C3 C4 single NAB C3 H3 single NAB C4 C5 double NAB C4 H4 single NAB C5 C6 single NAB C5 H5 single NAB C6 H6 single NAB 'C1'' 'C2'' single NAB 'C1'' C8A double NAB 'C1'' 'N1'' single NAB 'C2'' 'C3'' double NAB 'C2'' 'H2'' single NAB 'C3'' 'C4'' single NAB 'C3'' 'H3'' single NAB 'C4'' C4A double NAB 'C4'' 'O4'' single NAB C4A 'C5'' single NAB C4A C8A single NAB 'C5'' 'C6'' double NAB 'C5'' 'H5'' single NAB 'C6'' 'C7'' single NAB 'C6'' 'H6'' single NAB 'C7'' 'C8'' double NAB 'C7'' 'H7'' single NAB 'C8'' C8A single NAB 'C8'' 'H8'' single NAB C O double NAB C OXT single NAB N1 'N1'' double NAB OXT HXT single NAB 'O4'' 'HO4'' single