# 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 GNB GNB 'S-P-NITROBENZYLOXYCARBONYLGLUTATHION' non-polymer 57 33 M # data_comp_GNB # 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 GNB C C . 0.000 GNB OT1 O . 0.000 GNB OT2 O . 0.000 GNB N N . 0.000 GNB CA C . 0.000 GNB CB C . 0.000 GNB CB2 C . 0.000 GNB SG2 S . 0.000 GNB CG C . 0.000 GNB CD C . 0.000 GNB OE O . 0.000 GNB N2 N . 0.000 GNB CA2 C . 0.000 GNB C2 C . 0.000 GNB O2 O . 0.000 GNB N3 N . 0.000 GNB CA3 C . 0.000 GNB C3 C . 0.000 GNB O31 O . 0.000 GNB O32 O . 0.000 GNB CD2 C . 0.000 GNB OZ1 O . 0.000 GNB CG2 C . 0.000 GNB CL1 C . 0.000 GNB CL2 C . 0.000 GNB CM1 C . 0.000 GNB CM2 C . 0.000 GNB CZ C . 0.000 GNB OH1 O . 0.000 GNB CH C . 0.000 GNB N7 N . 0.000 GNB O8 O . 0.000 GNB O9 O . 0.000 GNB HM1 H . 0.000 GNB HM2 H . 0.000 GNB HL1 H . 0.000 GNB HL2 H . 0.000 GNB HOZ1 H . 0.000 GNB HB21 H . 0.000 GNB HB22 H . 0.000 GNB HN21 H . 0.000 GNB HG1 H . 0.000 GNB HG2 H . 0.000 GNB HB1 H . 0.000 GNB HB2 H . 0.000 GNB HA1 H . 0.000 GNB NH11 H . 0.000 GNB NH12 H . 0.000 GNB HOT1 H . 0.000 GNB HO31 H . 0.000 GNB HA31 H . 0.000 GNB HA32 H . 0.000 GNB HN3 H . 0.000 GNB HD2 H . 0.000 GNB HA2 H . 0.000 GNB HC1 H . 0.000 GNB HC2 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 GNB C OT1 single GNB C OT2 double GNB C CA single GNB OT1 HOT1 single GNB N CA single GNB N NH11 single GNB N NH12 single GNB CA CB single GNB CA HA1 single GNB CB CG single GNB CB HB1 single GNB CB HB2 single GNB CB2 SG2 single GNB CB2 CA2 single GNB CB2 HB21 single GNB CB2 HB22 single GNB SG2 CD2 single GNB CG CD single GNB CG HG1 single GNB CG HG2 single GNB CD OE double GNB CD N2 single GNB N2 CA2 single GNB N2 HN21 single GNB CA2 C2 single GNB CA2 HA2 single GNB C2 O2 double GNB C2 N3 single GNB N3 CA3 single GNB N3 HN3 single GNB CA3 C3 single GNB CA3 HA31 single GNB CA3 HA32 single GNB C3 O31 double GNB C3 O32 single GNB O32 HO31 single GNB CD2 OZ1 single GNB CD2 HD2 single GNB CD2 OH1 single GNB OZ1 HOZ1 single GNB CG2 CL1 double GNB CG2 CL2 single GNB CG2 CH single GNB CL1 CM1 single GNB CL1 HL1 single GNB CL2 CM2 double GNB CL2 HL2 single GNB CM1 CZ double GNB CM1 HM1 single GNB CM2 CZ single GNB CM2 HM2 single GNB CZ N7 single GNB OH1 CH single GNB CH HC1 single GNB CH HC2 single GNB N7 O8 double GNB N7 O9 double