# 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 OSS OSS '6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHY' non-polymer 41 18 M # data_comp_OSS # 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 OSS C1 C . 0.000 OSS O1 O . 0.000 OSS O2 O . 0.000 OSS C2 C . 0.000 OSS C3 C . 0.000 OSS C4 C . 0.000 OSS C5 C . 0.000 OSS C6 C . 0.000 OSS C7 C . 0.000 OSS C8 C . 0.000 OSS S9 S . 0.000 OSS C10 C . 0.000 OSS N11 N . 0.000 OSS S12 S . 0.000 OSS S13 S . 0.000 OSS C14 C . 0.000 OSS C15 C . 0.000 OSS O16 O . 0.000 OSS HO2 H . 0.000 OSS H21 H . 0.000 OSS H22 H . 0.000 OSS H31 H . 0.000 OSS H32 H . 0.000 OSS H41 H . 0.000 OSS H42 H . 0.000 OSS H51 H . 0.000 OSS H52 H . 0.000 OSS H6 H . 0.000 OSS H71 H . 0.000 OSS H72 H . 0.000 OSS H81 H . 0.000 OSS H82 H . 0.000 OSS H101 H . 0.000 OSS H102 H . 0.000 OSS HN11 H . 0.000 OSS HN12 H . 0.000 OSS H141 H . 0.000 OSS H142 H . 0.000 OSS H151 H . 0.000 OSS H152 H . 0.000 OSS HO6 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 OSS C1 C2 single OSS C1 O1 double OSS C1 O2 single OSS O2 HO2 single OSS C2 C3 single OSS C2 H21 single OSS C2 H22 single OSS C3 C4 single OSS C3 H31 single OSS C3 H32 single OSS C4 C5 single OSS C4 H41 single OSS C4 H42 single OSS C5 C6 single OSS C5 H51 single OSS C5 H52 single OSS C6 C7 single OSS C6 S12 single OSS C6 H6 single OSS C7 C8 single OSS C7 H71 single OSS C7 H72 single OSS C8 S9 single OSS C8 H81 single OSS C8 H82 single OSS S9 C10 single OSS C10 N11 single OSS C10 H101 single OSS C10 H102 single OSS N11 HN11 single OSS N11 HN12 single OSS S12 S13 single OSS S13 C14 single OSS C14 C15 single OSS C14 H141 single OSS C14 H142 single OSS C15 O16 single OSS C15 H151 single OSS C15 H152 single OSS O16 HO6 single