#
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