# 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 THZ THZ 'BENZOTHIAZOLE ' non-polymer 14 9 M # data_comp_THZ # 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 THZ C1 C . 0.000 THZ N1 N . 0.000 THZ C2 C . 0.000 THZ C3 C . 0.000 THZ C4 C . 0.000 THZ C5 C . 0.000 THZ C6 C . 0.000 THZ C7 C . 0.000 THZ S1 S . 0.000 THZ H1 H . 0.000 THZ H3 H . 0.000 THZ H4 H . 0.000 THZ H5 H . 0.000 THZ 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 THZ C1 N1 double THZ C1 S1 single THZ C1 H1 single THZ N1 C2 single THZ C2 C3 double THZ C2 C7 single THZ C3 C4 single THZ C3 H3 single THZ C4 C5 double THZ C4 H4 single THZ C5 C6 single THZ C5 H5 single THZ C6 C7 double THZ C6 H6 single THZ C7 S1 single