# 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 IDS IDS 'O2-SULFO-GLUCURONIC ACID ' non-polymer 27 17 M # data_comp_IDS # 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 IDS C1 C . 0.000 IDS C2 C . 0.000 IDS C3 C . 0.000 IDS C4 C . 0.000 IDS C5 C . 0.000 IDS C6 C . 0.000 IDS O1 O . 0.000 IDS O2 O . 0.000 IDS O3 O . 0.000 IDS O4 O . 0.000 IDS O5 O . 0.000 IDS O61 O . 0.000 IDS O62 O . 0.000 IDS S S . 0.000 IDS O1S O . 0.000 IDS O2S O . 0.000 IDS O3S O . 0.000 IDS H1 H . 0.000 IDS H2 H . 0.000 IDS H3 H . 0.000 IDS H4 H . 0.000 IDS H5 H . 0.000 IDS HO1 H . 0.000 IDS HO3 H . 0.000 IDS HO4 H . 0.000 IDS HO6 H . 0.000 IDS HOS3 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 IDS C1 C2 single IDS C1 O1 single IDS C1 O5 single IDS C1 H1 single IDS C2 C3 single IDS C2 O2 single IDS C2 H2 single IDS C3 C4 single IDS C3 O3 single IDS C3 H3 single IDS C4 C5 single IDS C4 O4 single IDS C4 H4 single IDS C5 C6 single IDS C5 O5 single IDS C5 H5 single IDS C6 O61 double IDS C6 O62 single IDS O1 HO1 single IDS O2 S single IDS O3 HO3 single IDS O4 HO4 single IDS O62 HO6 single IDS S O1S double IDS S O2S double IDS S O3S single IDS O3S HOS3 single