#
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
ABH      ABH '2(S)-AMINO-6-BORONOHEXANOIC ACID    ' non-polymer        28  13 M
#
data_comp_ABH
#
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
 ABH           N      N    .         0.000
 ABH           CA     C    .         0.000
 ABH           C      C    .         0.000
 ABH           O      O    .         0.000
 ABH           OT     O    .         0.000
 ABH           CB     C    .         0.000
 ABH           CG     C    .         0.000
 ABH           CD     C    .         0.000
 ABH           CE     C    .         0.000
 ABH           B      B    .        -1.000
 ABH           O2     O    .         0.000
 ABH           O1     O    .         0.000
 ABH           O3     O    .         0.000
 ABH           HOT1   H    .         0.000
 ABH           HCA    H    .         0.000
 ABH           HCB1   H    .         0.000
 ABH           HCB2   H    .         0.000
 ABH           HCG1   H    .         0.000
 ABH           HCG2   H    .         0.000
 ABH           HCD1   H    .         0.000
 ABH           HCD2   H    .         0.000
 ABH           HCE1   H    .         0.000
 ABH           HCE2   H    .         0.000
 ABH           HO1    H    .         0.000
 ABH           HO2    H    .         0.000
 ABH           HO3    H    .         0.000
 ABH           HN1    H    .         0.000
 ABH           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
 ABH        N      CA        single
 ABH        N      HN1       single
 ABH        N      HN2       single
 ABH        CA     C         single
 ABH        CA     CB        single
 ABH        CA     HCA       single
 ABH        C      O         double
 ABH        C      OT        single
 ABH        OT     HOT1      single
 ABH        CB     CG        single
 ABH        CB     HCB1      single
 ABH        CB     HCB2      single
 ABH        CG     CD        single
 ABH        CG     HCG1      single
 ABH        CG     HCG2      single
 ABH        CD     CE        single
 ABH        CD     HCD1      single
 ABH        CD     HCD2      single
 ABH        CE     B         single
 ABH        CE     HCE1      single
 ABH        CE     HCE2      single
 ABH        B      O2        single
 ABH        B      O1        single
 ABH        B      O3        single
 ABH        O2     HO2       single
 ABH        O1     HO1       single
 ABH        O3     HO3       single