# 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 SLE SLE '2-(THIOMETHYLENE)-4-METHYLPENTANOIC ' non-polymer 24 10 M # data_comp_SLE # 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 SLE C1 C . 0.000 SLE O1 O . 0.000 SLE O2 O . 0.000 SLE C2 C . 0.000 SLE CH C . 0.000 SLE S S . 0.000 SLE C3 C . 0.000 SLE C4 C . 0.000 SLE CM C . 0.000 SLE C5 C . 0.000 SLE HO2 H . 0.000 SLE H2 H . 0.000 SLE HH1 H . 0.000 SLE HH2 H . 0.000 SLE HS H . 0.000 SLE H31 H . 0.000 SLE H32 H . 0.000 SLE H4 H . 0.000 SLE HM1 H . 0.000 SLE HM2 H . 0.000 SLE HM3 H . 0.000 SLE H51 H . 0.000 SLE H52 H . 0.000 SLE H53 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 SLE C1 C2 single SLE C1 O1 double SLE C1 O2 single SLE O2 HO2 single SLE C2 CH single SLE C2 C3 single SLE C2 H2 single SLE CH S single SLE CH HH1 single SLE CH HH2 single SLE S HS single SLE C3 C4 single SLE C3 H31 single SLE C3 H32 single SLE C4 C5 single SLE C4 CM single SLE C4 H4 single SLE CM HM1 single SLE CM HM2 single SLE CM HM3 single SLE C5 H51 single SLE C5 H52 single SLE C5 H53 single