#
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
AHH      AHH 'AMINO-HYDROXYHEPTANOIC ACID         ' non-polymer        26  11 M
#
data_comp_AHH
#
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
 AHH           N      N    .         0.000
 AHH           CA     C    .         0.000
 AHH           CB     C    .         0.000
 AHH           CG     C    .         0.000
 AHH           O1     O    .         0.000
 AHH           O2     O    .         0.000
 AHH           CD     C    .         0.000
 AHH           CE     C    .         0.000
 AHH           C1     C    .         0.000
 AHH           C2     C    .         0.000
 AHH           O3     O    .         0.000
 AHH           HCE1   H    .         0.000
 AHH           HCE2   H    .         0.000
 AHH           HCE3   H    .         0.000
 AHH           HCD1   H    .         0.000
 AHH           HCD2   H    .         0.000
 AHH           HCG1   H    .         0.000
 AHH           HCG2   H    .         0.000
 AHH           HCB1   H    .         0.000
 AHH           HCB2   H    .         0.000
 AHH           HCA1   H    .         0.000
 AHH           HN1    H    .         0.000
 AHH           HN2    H    .         0.000
 AHH           HC11   H    .         0.000
 AHH           HO11   H    .         0.000
 AHH           HO31   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
 AHH        N      CA        single
 AHH        N      HN1       single
 AHH        N      HN2       single
 AHH        CA     CB        single
 AHH        CA     C1        single
 AHH        CA     HCA1      single
 AHH        CB     CG        single
 AHH        CB     HCB1      single
 AHH        CB     HCB2      single
 AHH        CG     CD        single
 AHH        CG     HCG1      single
 AHH        CG     HCG2      single
 AHH        O1     C1        single
 AHH        O1     HO11      single
 AHH        O2     C2        double
 AHH        CD     CE        single
 AHH        CD     HCD1      single
 AHH        CD     HCD2      single
 AHH        CE     HCE1      single
 AHH        CE     HCE2      single
 AHH        CE     HCE3      single
 AHH        C1     C2        single
 AHH        C1     HC11      single
 AHH        C2     O3        single
 AHH        O3     HO31      single