# 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 PPI PPI 'PROPANOIC ACID ' non-polymer 11 5 M # data_comp_PPI # 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 PPI C1 C . 0.000 PPI C2 C . 0.000 PPI C3 C . 0.000 PPI O1 O . 0.000 PPI O2 O . 0.000 PPI H21 H . 0.000 PPI H22 H . 0.000 PPI H31 H . 0.000 PPI H32 H . 0.000 PPI H33 H . 0.000 PPI HO2 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 PPI C1 C2 single PPI C1 O1 double PPI C1 O2 single PPI C2 C3 single PPI C2 H21 single PPI C2 H22 single PPI C3 H31 single PPI C3 H32 single PPI C3 H33 single PPI O2 HO2 single