#
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
APA      APA 'AMIDO PHENYL PYRUVIC ACID           ' non-polymer        25  15 M
#
data_comp_APA
#
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
 APA           C1     C    .         0.000
 APA           O1     O    .         0.000
 APA           OXT    O    .         0.000
 APA           C2     C    .         0.000
 APA           O2     O    .         0.000
 APA           C3     C    .         0.000
 APA           'C1''  C    .         0.000
 APA           'C2''  C    .         0.000
 APA           'C3''  C    .         0.000
 APA           'C4''  C    .         0.000
 APA           'C5''  C    .         0.000
 APA           'C6''  C    .         0.000
 APA           C      C    .         0.000
 APA           N1     N    .         0.000
 APA           N2     N    .         0.000
 APA           HXT    H    .         0.000
 APA           H31    H    .         0.000
 APA           H32    H    .         0.000
 APA           'H2''  H    .         0.000
 APA           'H3''  H    .         0.000
 APA           'H5''  H    .         0.000
 APA           'H6''  H    .         0.000
 APA           HN11   H    .         0.000
 APA           HN12   H    .         0.000
 APA           HN2    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
 APA        C1     C2        single
 APA        C1     O1        double
 APA        C1     OXT       single
 APA        OXT    HXT       single
 APA        C2     C3        single
 APA        C2     O2        double
 APA        C3     'C1''     single
 APA        C3     H31       single
 APA        C3     H32       single
 APA        'C1''  'C2''     double
 APA        'C1''  'C6''     single
 APA        'C2''  'C3''     single
 APA        'C2''  'H2''     single
 APA        'C3''  'C4''     double
 APA        'C3''  'H3''     single
 APA        'C4''  'C5''     single
 APA        'C4''  C         single
 APA        'C5''  'C6''     double
 APA        'C5''  'H5''     single
 APA        'C6''  'H6''     single
 APA        C      N1        single
 APA        C      N2        double
 APA        N1     HN11      single
 APA        N1     HN12      single
 APA        N2     HN2       single