# 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 GDS GDS 'OXIDIZED GLUTATHIONE DISULFIDE ' non-polymer 72 40 M # data_comp_GDS # 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 GDS N1 N . 0.000 GDS CA1 C . 0.000 GDS C1 C . 0.000 GDS OE1 O . 0.000 GDS OE2 O . 0.000 GDS CB1 C . 0.000 GDS CG1 C . 0.000 GDS CD1 C . 0.000 GDS O1 O . 0.000 GDS N2 N . 0.000 GDS CA2 C . 0.000 GDS C2 C . 0.000 GDS O2 O . 0.000 GDS CB2 C . 0.000 GDS SG2 S . 0.000 GDS N3 N . 0.000 GDS CA3 C . 0.000 GDS C3 C . 0.000 GDS OE3 O . 0.000 GDS OE4 O . 0.000 GDS N4 N . 0.000 GDS CA4 C . 0.000 GDS C4 C . 0.000 GDS OE5 O . 0.000 GDS OE6 O . 0.000 GDS C5 C . 0.000 GDS O5 O . 0.000 GDS CA5 C . 0.000 GDS N5 N . 0.000 GDS CB5 C . 0.000 GDS SG5 S . 0.000 GDS CA6 C . 0.000 GDS C6 C . 0.000 GDS OE7 O . 0.000 GDS OE8 O . 0.000 GDS N6 N . 0.000 GDS CB6 C . 0.000 GDS CG6 C . 0.000 GDS CD6 C . 0.000 GDS O6 O . 0.000 GDS HN11 H . 0.000 GDS HN12 H . 0.000 GDS HO2 H . 0.000 GDS HA1 H . 0.000 GDS HB11 H . 0.000 GDS HB12 H . 0.000 GDS HG11 H . 0.000 GDS HG12 H . 0.000 GDS HN2 H . 0.000 GDS HA2 H . 0.000 GDS HB21 H . 0.000 GDS HB22 H . 0.000 GDS HN3 H . 0.000 GDS HA31 H . 0.000 GDS HA32 H . 0.000 GDS HO4 H . 0.000 GDS HN4 H . 0.000 GDS HA41 H . 0.000 GDS HA42 H . 0.000 GDS HO6 H . 0.000 GDS HA5 H . 0.000 GDS HN5 H . 0.000 GDS HB51 H . 0.000 GDS HB52 H . 0.000 GDS HO8 H . 0.000 GDS HA6 H . 0.000 GDS HN61 H . 0.000 GDS HN62 H . 0.000 GDS HB61 H . 0.000 GDS HB62 H . 0.000 GDS HG61 H . 0.000 GDS HG62 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 GDS N1 CA1 single GDS N1 HN11 single GDS N1 HN12 single GDS CA1 C1 single GDS CA1 CB1 single GDS CA1 HA1 single GDS C1 OE1 double GDS C1 OE2 single GDS OE2 HO2 single GDS CB1 CG1 single GDS CB1 HB11 single GDS CB1 HB12 single GDS CG1 CD1 single GDS CG1 HG11 single GDS CG1 HG12 single GDS CD1 O1 double GDS CD1 N2 single GDS N2 CA2 single GDS N2 HN2 single GDS CA2 C2 single GDS CA2 CB2 single GDS CA2 HA2 single GDS C2 O2 double GDS C2 N3 single GDS CB2 SG2 single GDS CB2 HB21 single GDS CB2 HB22 single GDS SG2 SG5 single GDS N3 CA3 single GDS N3 HN3 single GDS CA3 C3 single GDS CA3 HA31 single GDS CA3 HA32 single GDS C3 OE3 double GDS C3 OE4 single GDS OE4 HO4 single GDS N4 CA4 single GDS N4 HN4 single GDS N4 C5 single GDS CA4 C4 single GDS CA4 HA41 single GDS CA4 HA42 single GDS C4 OE5 double GDS C4 OE6 single GDS OE6 HO6 single GDS C5 CA5 single GDS C5 O5 double GDS CA5 N5 single GDS CA5 CB5 single GDS CA5 HA5 single GDS N5 CD6 single GDS N5 HN5 single GDS CB5 SG5 single GDS CB5 HB51 single GDS CB5 HB52 single GDS CA6 C6 single GDS CA6 N6 single GDS CA6 CB6 single GDS CA6 HA6 single GDS C6 OE7 double GDS C6 OE8 single GDS OE8 HO8 single GDS N6 HN61 single GDS N6 HN62 single GDS CB6 CG6 single GDS CB6 HB61 single GDS CB6 HB62 single GDS CG6 CD6 single GDS CG6 HG61 single GDS CG6 HG62 single GDS CD6 O6 double