#
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
AHB      AHB 'BETA-HYDROXYASPARAGINE              ' non-polymer        18  10 M
#
data_comp_AHB
#
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
 AHB           N      N    .         0.000
 AHB           CA     C    .         0.000
 AHB           CB     C    .         0.000
 AHB           OB     O    .         0.000
 AHB           CG     C    .         0.000
 AHB           OD1    O    .         0.000
 AHB           ND2    N    .         0.000
 AHB           C      C    .         0.000
 AHB           O      O    .         0.000
 AHB           OXT    O    .         0.000
 AHB           HN1    H    .         0.000
 AHB           HN2    H    .         0.000
 AHB           HA     H    .         0.000
 AHB           HB     H    .         0.000
 AHB           HOB    H    .         0.000
 AHB           HND1   H    .         0.000
 AHB           HND2   H    .         0.000
 AHB           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
 AHB        N      CA        single
 AHB        N      HN1       single
 AHB        N      HN2       single
 AHB        CA     CB        single
 AHB        CA     C         single
 AHB        CA     HA        single
 AHB        CB     CG        single
 AHB        CB     OB        single
 AHB        CB     HB        single
 AHB        OB     HOB       single
 AHB        CG     OD1       double
 AHB        CG     ND2       single
 AHB        ND2    HND1      single
 AHB        ND2    HND2      single
 AHB        C      O         double
 AHB        C      OXT       single
 AHB        OXT    HXT       single