# 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 PYZ PYZ '4-IODOPYRAZOLE ' non-polymer 9 6 M # data_comp_PYZ # 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 PYZ N1 N . 0.000 PYZ N2 N . 0.000 PYZ C3 C . 0.000 PYZ C4 C . 0.000 PYZ I4 I . 0.000 PYZ C5 C . 0.000 PYZ HN1 H . 0.000 PYZ H3 H . 0.000 PYZ H5 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 PYZ N1 N2 single PYZ N1 C5 single PYZ N1 HN1 single PYZ N2 C3 double PYZ C3 C4 single PYZ C3 H3 single PYZ C4 C5 double PYZ C4 I4 single PYZ C5 H5 single