#
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