# 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 GSA GSA 'O4-SULFONYLGALACTOSE ' non-polymer 28 16 M # data_comp_GSA # 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 GSA C1 C . 0.000 GSA C2 C . 0.000 GSA C3 C . 0.000 GSA C4 C . 0.000 GSA C5 C . 0.000 GSA C6 C . 0.000 GSA O1 O . 0.000 GSA O2 O . 0.000 GSA O3 O . 0.000 GSA O4 O . 0.000 GSA O5 O . 0.000 GSA O6 O . 0.000 GSA S S . 0.000 GSA O1S O . 0.000 GSA O2S O . 0.000 GSA O3S O . 0.000 GSA H1 H . 0.000 GSA H2 H . 0.000 GSA H3 H . 0.000 GSA H4 H . 0.000 GSA H5 H . 0.000 GSA H61 H . 0.000 GSA H62 H . 0.000 GSA HO1 H . 0.000 GSA HO2 H . 0.000 GSA HO3 H . 0.000 GSA HO6 H . 0.000 GSA 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 GSA C1 C2 single GSA C1 O1 single GSA C1 O5 single GSA C1 H1 single GSA C2 C3 single GSA C2 O2 single GSA C2 H2 single GSA C3 C4 single GSA C3 O3 single GSA C3 H3 single GSA C4 C5 single GSA C4 O4 single GSA C4 H4 single GSA C5 C6 single GSA C5 O5 single GSA C5 H5 single GSA C6 O6 single GSA C6 H61 single GSA C6 H62 single GSA O1 HO1 single GSA O2 HO2 single GSA O3 HO3 single GSA O4 S single GSA O6 HO6 single GSA S O1S double GSA S O2S double GSA S O3S single GSA O3S HOS3 single