#
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
CSS      CSS 'S-MERCAPTOCYSTEINE                  ' non-polymer        15   8 M
#
data_comp_CSS
#
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
 CSS           N      N    .         0.000
 CSS           CA     C    .         0.000
 CSS           CB     C    .         0.000
 CSS           SG     S    .         0.000
 CSS           SD     S    .         0.000
 CSS           C      C    .         0.000
 CSS           O      O    .         0.000
 CSS           OXT    O    .         0.000
 CSS           HN1    H    .         0.000
 CSS           HN2    H    .         0.000
 CSS           HA     H    .         0.000
 CSS           HB1    H    .         0.000
 CSS           HB2    H    .         0.000
 CSS           HD     H    .         0.000
 CSS           HXT    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
 CSS        N      CA        single
 CSS        N      HN1       single
 CSS        N      HN2       single
 CSS        CA     CB        single
 CSS        CA     C         single
 CSS        CA     HA        single
 CSS        CB     SG        single
 CSS        CB     HB1       single
 CSS        CB     HB2       single
 CSS        SG     SD        single
 CSS        SD     HD        single
 CSS        C      O         double
 CSS        C      OXT       single
 CSS        OXT    HXT       single