#
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
AHC      AHC '4-AMINOHYDROCINNAMIC ACID           ' non-polymer        23  12 M
#
data_comp_AHC
#
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
 AHC           CA     C    .         0.000
 AHC           C      C    .         0.000
 AHC           OT1    O    .         0.000
 AHC           OT2    O    .         0.000
 AHC           CB     C    .         0.000
 AHC           CG     C    .         0.000
 AHC           CD1    C    .         0.000
 AHC           CD2    C    .         0.000
 AHC           CE1    C    .         0.000
 AHC           CE2    C    .         0.000
 AHC           CZ     C    .         0.000
 AHC           NH     N    .         0.000
 AHC           HA1    H    .         0.000
 AHC           HA2    H    .         0.000
 AHC           HO2    H    .         0.000
 AHC           HB1    H    .         0.000
 AHC           HB2    H    .         0.000
 AHC           HD1    H    .         0.000
 AHC           HD2    H    .         0.000
 AHC           HE1    H    .         0.000
 AHC           HE2    H    .         0.000
 AHC           HNH1   H    .         0.000
 AHC           HNH2   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
 AHC        CA     C         single
 AHC        CA     CB        single
 AHC        CA     HA1       single
 AHC        CA     HA2       single
 AHC        C      OT1       double
 AHC        C      OT2       single
 AHC        OT2    HO2       single
 AHC        CB     CG        single
 AHC        CB     HB1       single
 AHC        CB     HB2       single
 AHC        CG     CD1       double
 AHC        CG     CD2       single
 AHC        CD1    CE1       single
 AHC        CD1    HD1       single
 AHC        CD2    CE2       double
 AHC        CD2    HD2       single
 AHC        CE1    CZ        double
 AHC        CE1    HE1       single
 AHC        CE2    CZ        single
 AHC        CE2    HE2       single
 AHC        CZ     NH        single
 AHC        NH     HNH1      single
 AHC        NH     HNH2      single