#
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
HIP      HIP 'ND1-PHOSPHONOHISTIDINE              ' non-polymer        26  15 M
#
data_comp_HIP
#
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
 HIP           N      N    .         0.000
 HIP           CA     C    .         0.000
 HIP           CB     C    .         0.000
 HIP           CG     C    .         0.000
 HIP           CD2    C    .         0.000
 HIP           NE2    N    .         1.000
 HIP           CE1    C    .         0.000
 HIP           ND1    N    .         0.000
 HIP           P      P    .         0.000
 HIP           O1P    O    .         0.000
 HIP           O2P    O    .         0.000
 HIP           O3P    O    .         0.000
 HIP           C      C    .         0.000
 HIP           O      O    .         0.000
 HIP           OXT    O    .         0.000
 HIP           HN1    H    .         0.000
 HIP           HN2    H    .         0.000
 HIP           HA     H    .         0.000
 HIP           HB1    H    .         0.000
 HIP           HB2    H    .         0.000
 HIP           HD2    H    .         0.000
 HIP           HE2    H    .         0.000
 HIP           HE1    H    .         0.000
 HIP           HOP2   H    .         0.000
 HIP           HOP3   H    .         0.000
 HIP           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
 HIP        N      CA        single
 HIP        N      HN1       single
 HIP        N      HN2       single
 HIP        CA     CB        single
 HIP        CA     C         single
 HIP        CA     HA        single
 HIP        CB     CG        single
 HIP        CB     HB1       single
 HIP        CB     HB2       single
 HIP        CG     CD2       double
 HIP        CG     ND1       single
 HIP        CD2    NE2       single
 HIP        CD2    HD2       single
 HIP        NE2    CE1       double
 HIP        NE2    HE2       single
 HIP        CE1    ND1       single
 HIP        CE1    HE1       single
 HIP        ND1    P         single
 HIP        P      O1P       double
 HIP        P      O2P       single
 HIP        P      O3P       single
 HIP        O2P    HOP2      single
 HIP        O3P    HOP3      single
 HIP        C      O         double
 HIP        C      OXT       single
 HIP        OXT    HXT       single