# 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 THE THE 'THREONATE ION ' non-polymer 16 9 M # data_comp_THE # 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 THE C1 C . 0.000 THE C2 C . 0.000 THE C3 C . 0.000 THE C4 C . 0.000 THE O1 O . 0.000 THE O2 O . 0.000 THE O3 O . 0.000 THE O4 O . 0.000 THE O5 O . -1.000 THE H11 H . 0.000 THE H12 H . 0.000 THE H2 H . 0.000 THE H3 H . 0.000 THE HO1 H . 0.000 THE HO2 H . 0.000 THE HO3 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 THE C1 C2 single THE C1 O1 single THE C1 H11 single THE C1 H12 single THE C2 C3 single THE C2 O2 single THE C2 H2 single THE C3 C4 single THE C3 O3 single THE C3 H3 single THE C4 O4 double THE C4 O5 single THE O1 HO1 single THE O2 HO2 single THE O3 HO3 single