# 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 BTP BTP '2-THIOMETHYL-3-PHENYLPROPANOIC ACID ' non-polymer 25 13 M # data_comp_BTP # 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 BTP C1 C . 0.000 BTP O1 O . 0.000 BTP O2 O . 0.000 BTP C2 C . 0.000 BTP C3 C . 0.000 BTP 'C1'' C . 0.000 BTP 'C2'' C . 0.000 BTP 'C3'' C . 0.000 BTP 'C4'' C . 0.000 BTP 'C5'' C . 0.000 BTP 'C6'' C . 0.000 BTP C* C . 0.000 BTP S* S . 0.000 BTP HO2 H . 0.000 BTP H2 H . 0.000 BTP H31 H . 0.000 BTP H32 H . 0.000 BTP 'H2'' H . 0.000 BTP 'H3'' H . 0.000 BTP 'H4'' H . 0.000 BTP 'H5'' H . 0.000 BTP 'H6'' H . 0.000 BTP H*1 H . 0.000 BTP H*2 H . 0.000 BTP HS* 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 BTP C1 O1 double BTP C1 O2 single BTP C1 C2 single BTP O2 HO2 single BTP C2 C3 single BTP C2 C* single BTP C2 H2 single BTP C3 'C1'' single BTP C3 H31 single BTP C3 H32 single BTP 'C1'' 'C2'' double BTP 'C1'' 'C6'' single BTP 'C2'' 'C3'' single BTP 'C2'' 'H2'' single BTP 'C3'' 'C4'' double BTP 'C3'' 'H3'' single BTP 'C4'' 'C5'' single BTP 'C4'' 'H4'' single BTP 'C5'' 'C6'' double BTP 'C5'' 'H5'' single BTP 'C6'' 'H6'' single BTP C* S* single BTP C* H*1 single BTP C* H*2 single BTP S* HS* single