# 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 IBZ IBZ '2-IODOBENZYLTHIO GROUP ' non-polymer 15 9 M # data_comp_IBZ # 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 IBZ S S . 0.000 IBZ C C . 0.000 IBZ C1 C . 0.000 IBZ C2 C . 0.000 IBZ C3 C . 0.000 IBZ C4 C . 0.000 IBZ C5 C . 0.000 IBZ C6 C . 0.000 IBZ I I . 0.000 IBZ H1 H . 0.000 IBZ H2 H . 0.000 IBZ H3 H . 0.000 IBZ H4 H . 0.000 IBZ H5 H . 0.000 IBZ 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 IBZ S C single IBZ C C1 single IBZ C H1 single IBZ C H2 single IBZ C1 C2 double IBZ C1 C6 single IBZ C2 C3 single IBZ C2 I single IBZ C3 C4 double IBZ C3 H3 single IBZ C4 C5 single IBZ C4 H4 single IBZ C5 C6 double IBZ C5 H5 single IBZ C6 H6 single