#
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
APE      APE 'MODIFIED PHENYLALANINE              ' non-polymer        25  13 M
#
data_comp_APE
#
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
 APE           N      N    .         0.000
 APE           CA     C    .         0.000
 APE           CB     C    .         0.000
 APE           CG     C    .         0.000
 APE           CD1    C    .         0.000
 APE           CD2    C    .         0.000
 APE           CE1    C    .         0.000
 APE           CE2    C    .         0.000
 APE           CZ     C    .         0.000
 APE           NHO    N    .         0.000
 APE           C      C    .         0.000
 APE           O      O    .         0.000
 APE           OXT    O    .         0.000
 APE           HN1    H    .         0.000
 APE           HN2    H    .         0.000
 APE           HA     H    .         0.000
 APE           HB1    H    .         0.000
 APE           HB2    H    .         0.000
 APE           HD1    H    .         0.000
 APE           HD2    H    .         0.000
 APE           HE1    H    .         0.000
 APE           HE2    H    .         0.000
 APE           HZ     H    .         0.000
 APE           HN     H    .         0.000
 APE           HXT    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
 APE        N      CA        single
 APE        N      HN1       single
 APE        N      HN2       single
 APE        CA     CB        single
 APE        CA     NHO       single
 APE        CA     HA        single
 APE        CB     CG        single
 APE        CB     HB1       single
 APE        CB     HB2       single
 APE        CG     CD1       double
 APE        CG     CD2       single
 APE        CD1    CE1       single
 APE        CD1    HD1       single
 APE        CD2    CE2       double
 APE        CD2    HD2       single
 APE        CE1    CZ        double
 APE        CE1    HE1       single
 APE        CE2    CZ        single
 APE        CE2    HE2       single
 APE        CZ     HZ        single
 APE        NHO    C         single
 APE        NHO    HN        single
 APE        C      O         double
 APE        C      OXT       single
 APE        OXT    HXT       single