#
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
BHD      BHD 'BETA-HYDROXYASPARTIC ACID           ' non-polymer        17  10 M
#
data_comp_BHD
#
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
 BHD           N      N    .         0.000
 BHD           CA     C    .         0.000
 BHD           CB     C    .         0.000
 BHD           OB     O    .         0.000
 BHD           CG     C    .         0.000
 BHD           OD1    O    .         0.000
 BHD           OD2    O    .         0.000
 BHD           C      C    .         0.000
 BHD           O      O    .         0.000
 BHD           OXT    O    .         0.000
 BHD           HN1    H    .         0.000
 BHD           HN2    H    .         0.000
 BHD           HA     H    .         0.000
 BHD           HB     H    .         0.000
 BHD           HOB    H    .         0.000
 BHD           HOD    H    .         0.000
 BHD           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
 BHD        N      CA        single
 BHD        N      HN1       single
 BHD        N      HN2       single
 BHD        CA     CB        single
 BHD        CA     C         single
 BHD        CA     HA        single
 BHD        CB     CG        single
 BHD        CB     OB        single
 BHD        CB     HB        single
 BHD        OB     HOB       single
 BHD        CG     OD1       double
 BHD        CG     OD2       single
 BHD        OD2    HOD       single
 BHD        C      O         double
 BHD        C      OXT       single
 BHD        OXT    HXT       single