# 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 SSB SSB '3-BUTYLTHIOLANE 1-OXIDE ' non-polymer 26 10 M # data_comp_SSB # 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 SSB S1 S . 0.000 SSB C2 C . 0.000 SSB C3 C . 0.000 SSB C4 C . 0.000 SSB C5 C . 0.000 SSB O6 O . 0.000 SSB C7 C . 0.000 SSB C8 C . 0.000 SSB C9 C . 0.000 SSB C10 C . 0.000 SSB H21 H . 0.000 SSB H22 H . 0.000 SSB H3 H . 0.000 SSB H41 H . 0.000 SSB H42 H . 0.000 SSB H51 H . 0.000 SSB H52 H . 0.000 SSB H71 H . 0.000 SSB H72 H . 0.000 SSB H81 H . 0.000 SSB H82 H . 0.000 SSB H91 H . 0.000 SSB H92 H . 0.000 SSB H101 H . 0.000 SSB H102 H . 0.000 SSB H103 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 SSB S1 C2 single SSB S1 C5 single SSB S1 O6 double SSB C2 C3 single SSB C2 H21 single SSB C2 H22 single SSB C3 C4 single SSB C3 C7 single SSB C3 H3 single SSB C4 C5 single SSB C4 H41 single SSB C4 H42 single SSB C5 H51 single SSB C5 H52 single SSB C7 C8 single SSB C7 H71 single SSB C7 H72 single SSB C8 C9 single SSB C8 H81 single SSB C8 H82 single SSB C9 C10 single SSB C9 H91 single SSB C9 H92 single SSB C10 H101 single SSB C10 H102 single SSB C10 H103 single