# 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 3HB 3HB '3-HYDROXYBENZOIC ACID ' non-polymer 16 10 M # data_comp_3HB # 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 3HB 'C1'' C . 0.000 3HB 'O1'' O . 0.000 3HB 'O2'' O . 0.000 3HB C1 C . 0.000 3HB C2 C . 0.000 3HB C3 C . 0.000 3HB C4 C . 0.000 3HB C5 C . 0.000 3HB C6 C . 0.000 3HB O3 O . 0.000 3HB 'HO2'' H . 0.000 3HB H2 H . 0.000 3HB H4 H . 0.000 3HB H5 H . 0.000 3HB H6 H . 0.000 3HB HO3 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 3HB 'C1'' C1 single 3HB 'C1'' 'O1'' double 3HB 'C1'' 'O2'' single 3HB 'O2'' 'HO2'' single 3HB C1 C6 double 3HB C1 C2 single 3HB C2 C3 double 3HB C2 H2 single 3HB C3 C4 single 3HB C3 O3 single 3HB C4 C5 double 3HB C4 H4 single 3HB C5 C6 single 3HB C5 H5 single 3HB C6 H6 single 3HB O3 HO3 single