# 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 SOC SOC 'DIOXYSELENOCYSTEINE ' non-polymer 15 9 M # data_comp_SOC # 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 SOC N N . 0.000 SOC CA C . 0.000 SOC CB C . 0.000 SOC SE SE . 0.000 SOC OD1 O . 0.000 SOC OD2 O . 0.000 SOC C C . 0.000 SOC O O . 0.000 SOC OXT O . 0.000 SOC HN1 H . 0.000 SOC HN2 H . 0.000 SOC HA H . 0.000 SOC HB1 H . 0.000 SOC HB2 H . 0.000 SOC 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 SOC N CA single SOC N HN1 single SOC N HN2 single SOC CA CB single SOC CA C single SOC CA HA single SOC CB SE single SOC CB HB1 single SOC CB HB2 single SOC SE OD1 double SOC SE OD2 double SOC C O double SOC C OXT single SOC OXT HXT single