# 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 1CU 1CU 'COPPER ION, 1 WATER COORDINATED ' non-polymer 4 2 M # data_comp_1CU # 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 1CU CU CU . 2.000 1CU O1 O . 0.000 1CU HO11 H . 0.000 1CU HO12 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 1CU CU O1 single 1CU O1 HO11 single 1CU O1 HO12 single