# 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 PY2 PY2 '3-(MERCAPTOMETHYLENE)PYRIDINE ' non-polymer 15 8 M # data_comp_PY2 # 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 PY2 N1 N . 0.000 PY2 C2 C . 0.000 PY2 C3 C . 0.000 PY2 C4 C . 0.000 PY2 C5 C . 0.000 PY2 C6 C . 0.000 PY2 C C . 0.000 PY2 S S . 0.000 PY2 H_2 H . 0.000 PY2 H4 H . 0.000 PY2 H5 H . 0.000 PY2 H6 H . 0.000 PY2 H1 H . 0.000 PY2 H2 H . 0.000 PY2 HS 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 PY2 N1 C2 double PY2 N1 C6 single PY2 C2 C3 single PY2 C2 H_2 single PY2 C3 C4 double PY2 C3 C single PY2 C4 C5 single PY2 C4 H4 single PY2 C5 C6 double PY2 C5 H5 single PY2 C6 H6 single PY2 C S single PY2 C H1 single PY2 C H2 single PY2 S HS single