# 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 IDU IDU '1,4-DIDEOXY-O2-SULFO-GLUCURONIC ACID' non-polymer 25 15 M # data_comp_IDU # 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 IDU C1 C . 0.000 IDU C2 C . 0.000 IDU C3 C . 0.000 IDU C4 C . 0.000 IDU C5 C . 0.000 IDU C6 C . 0.000 IDU O2 O . 0.000 IDU O3 O . 0.000 IDU O5 O . 0.000 IDU O61 O . 0.000 IDU O62 O . 0.000 IDU S S . 0.000 IDU O1S O . 0.000 IDU O2S O . 0.000 IDU O3S O . 0.000 IDU H11 H . 0.000 IDU H12 H . 0.000 IDU H2 H . 0.000 IDU H3 H . 0.000 IDU H41 H . 0.000 IDU H42 H . 0.000 IDU H5 H . 0.000 IDU HO3 H . 0.000 IDU HO6 H . 0.000 IDU 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 IDU C1 C2 single IDU C1 O5 single IDU C1 H11 single IDU C1 H12 single IDU C2 C3 single IDU C2 O2 single IDU C2 H2 single IDU C3 C4 single IDU C3 O3 single IDU C3 H3 single IDU C4 C5 single IDU C4 H41 single IDU C4 H42 single IDU C5 C6 single IDU C5 O5 single IDU C5 H5 single IDU C6 O61 double IDU C6 O62 single IDU O2 S single IDU O3 HO3 single IDU O62 HO6 single IDU S O1S double IDU S O2S double IDU S O3S single IDU O3S HOS3 single