# 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 TCA TCA 'PHENYLETHYLENECARBOXYLIC ACID ' non-polymer 19 11 M # data_comp_TCA # 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 TCA C1 C . 0.000 TCA O O . 0.000 TCA OXT O . 0.000 TCA C2 C . 0.000 TCA C3 C . 0.000 TCA C31 C . 0.000 TCA C32 C . 0.000 TCA C33 C . 0.000 TCA C34 C . 0.000 TCA C35 C . 0.000 TCA C36 C . 0.000 TCA H2 H . 0.000 TCA H3 H . 0.000 TCA H32 H . 0.000 TCA H33 H . 0.000 TCA H34 H . 0.000 TCA H35 H . 0.000 TCA H36 H . 0.000 TCA HXT 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 TCA C1 O double TCA C1 C2 single TCA C1 OXT single TCA OXT HXT single TCA C2 C3 double TCA C2 H2 single TCA C3 C31 single TCA C3 H3 single TCA C31 C32 double TCA C31 C36 single TCA C32 C33 single TCA C32 H32 single TCA C33 C34 double TCA C33 H33 single TCA C34 C35 single TCA C34 H34 single TCA C35 C36 double TCA C35 H35 single TCA C36 H36 single