#
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
APP      APP '1-ACETYL-2-CARBOXYPIPERIDINE        ' non-polymer        25  12 M
#
data_comp_APP
#
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
 APP           N1     N    .         0.000
 APP           C      C    .         0.000
 APP           O      O    .         0.000
 APP           CM     C    .         0.000
 APP           C2     C    .         0.000
 APP           'C''   C    .         0.000
 APP           O1     O    .         0.000
 APP           O2     O    .         0.000
 APP           C3     C    .         0.000
 APP           C4     C    .         0.000
 APP           C5     C    .         0.000
 APP           C6     C    .         0.000
 APP           HM1    H    .         0.000
 APP           HM2    H    .         0.000
 APP           HM3    H    .         0.000
 APP           H2     H    .         0.000
 APP           HO2    H    .         0.000
 APP           H31    H    .         0.000
 APP           H32    H    .         0.000
 APP           H41    H    .         0.000
 APP           H42    H    .         0.000
 APP           H51    H    .         0.000
 APP           H52    H    .         0.000
 APP           H61    H    .         0.000
 APP           H62    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
 APP        N1     C2        single
 APP        N1     C6        single
 APP        N1     C         single
 APP        C      O         double
 APP        C      CM        single
 APP        CM     HM1       single
 APP        CM     HM2       single
 APP        CM     HM3       single
 APP        C2     C3        single
 APP        C2     'C''      single
 APP        C2     H2        single
 APP        'C''   O1        double
 APP        'C''   O2        single
 APP        O2     HO2       single
 APP        C3     C4        single
 APP        C3     H31       single
 APP        C3     H32       single
 APP        C4     C5        single
 APP        C4     H41       single
 APP        C4     H42       single
 APP        C5     C6        single
 APP        C5     H51       single
 APP        C5     H52       single
 APP        C6     H61       single
 APP        C6     H62       single