# 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