# 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 PPT PPT '3-(P-TOLYL)PROPIONIC ACID ' non-polymer 24 12 M # data_comp_PPT # 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 PPT CA C . 0.000 PPT C C . 0.000 PPT OT1 O . 0.000 PPT OT2 O . 0.000 PPT CB C . 0.000 PPT CG C . 0.000 PPT CD1 C . 0.000 PPT CD2 C . 0.000 PPT CE1 C . 0.000 PPT CE2 C . 0.000 PPT CZ C . 0.000 PPT CH C . 0.000 PPT HA1 H . 0.000 PPT HA2 H . 0.000 PPT HO2 H . 0.000 PPT HB1 H . 0.000 PPT HB2 H . 0.000 PPT HH1 H . 0.000 PPT HH2 H . 0.000 PPT HH3 H . 0.000 PPT HD1 H . 0.000 PPT HD2 H . 0.000 PPT HE1 H . 0.000 PPT HE2 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 PPT CA C single PPT CA CB single PPT CA HA1 single PPT CA HA2 single PPT C OT1 double PPT C OT2 single PPT OT2 HO2 single PPT CB CG single PPT CB HB1 single PPT CB HB2 single PPT CG CD1 double PPT CG CD2 single PPT CD1 CE1 single PPT CD1 HD1 single PPT CD2 CE2 double PPT CD2 HD2 single PPT CE1 CZ double PPT CE1 HE1 single PPT CE2 CZ single PPT CE2 HE2 single PPT CZ CH single PPT CH HH1 single PPT CH HH2 single PPT CH HH3 single