#
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
HIC      HIC '4-METHYL-HISTIDINE                  ' non-polymer        23  12 M
#
data_comp_HIC
#
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
 HIC           N      N    .         0.000
 HIC           CA     C    .         0.000
 HIC           C      C    .         0.000
 HIC           O      O    .         0.000
 HIC           CB     C    .         0.000
 HIC           CG     C    .         0.000
 HIC           ND1    N    .         0.000
 HIC           CD2    C    .         0.000
 HIC           CE1    C    .         0.000
 HIC           NE2    N    .         0.000
 HIC           CZ     C    .         0.000
 HIC           OXT    O    .         0.000
 HIC           H      H    .         0.000
 HIC           HN2    H    .         0.000
 HIC           HA     H    .         0.000
 HIC           HB1    H    .         0.000
 HIC           HB2    H    .         0.000
 HIC           HD2    H    .         0.000
 HIC           HE1    H    .         0.000
 HIC           HZ1    H    .         0.000
 HIC           HZ2    H    .         0.000
 HIC           HZ3    H    .         0.000
 HIC           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
 HIC        N      CA        single
 HIC        N      H         single
 HIC        N      HN2       single
 HIC        CA     C         single
 HIC        CA     CB        single
 HIC        CA     HA        single
 HIC        C      O         double
 HIC        C      OXT       single
 HIC        CB     CG        single
 HIC        CB     HB1       single
 HIC        CB     HB2       single
 HIC        CG     ND1       single
 HIC        CG     CD2       double
 HIC        ND1    CE1       double
 HIC        CD2    NE2       single
 HIC        CD2    HD2       single
 HIC        CE1    NE2       single
 HIC        CE1    HE1       single
 HIC        NE2    CZ        single
 HIC        CZ     HZ1       single
 HIC        CZ     HZ2       single
 HIC        CZ     HZ3       single
 HIC        OXT    HXT       single