#
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
CHS      CHS '4-AMINO-5-CYCLOHEXYL-3-HYDROXY-PENTA' non-polymer        36  15 M
#
data_comp_CHS
#
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
 CHS           N      N    .         0.000
 CHS           CA     C    .         0.000
 CHS           CB     C    .         0.000
 CHS           CG     C    .         0.000
 CHS           CD1    C    .         0.000
 CHS           CD2    C    .         0.000
 CHS           CE1    C    .         0.000
 CHS           CE2    C    .         0.000
 CHS           CZ     C    .         0.000
 CHS           CH     C    .         0.000
 CHS           OH     O    .         0.000
 CHS           CM     C    .         0.000
 CHS           C      C    .         0.000
 CHS           O      O    .         0.000
 CHS           OXT    O    .         0.000
 CHS           HN1    H    .         0.000
 CHS           HN2    H    .         0.000
 CHS           HA     H    .         0.000
 CHS           HB1    H    .         0.000
 CHS           HB2    H    .         0.000
 CHS           HG     H    .         0.000
 CHS           HD11   H    .         0.000
 CHS           HD12   H    .         0.000
 CHS           HD21   H    .         0.000
 CHS           HD22   H    .         0.000
 CHS           HE11   H    .         0.000
 CHS           HE12   H    .         0.000
 CHS           HE21   H    .         0.000
 CHS           HE22   H    .         0.000
 CHS           HZ1    H    .         0.000
 CHS           HZ2    H    .         0.000
 CHS           HH     H    .         0.000
 CHS           HO     H    .         0.000
 CHS           HM1    H    .         0.000
 CHS           HM2    H    .         0.000
 CHS           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
 CHS        N      CA        single
 CHS        N      HN1       single
 CHS        N      HN2       single
 CHS        CA     CH        single
 CHS        CA     CB        single
 CHS        CA     HA        single
 CHS        CB     CG        single
 CHS        CB     HB1       single
 CHS        CB     HB2       single
 CHS        CG     CD1       single
 CHS        CG     CD2       single
 CHS        CG     HG        single
 CHS        CD1    CE1       single
 CHS        CD1    HD11      single
 CHS        CD1    HD12      single
 CHS        CD2    CE2       single
 CHS        CD2    HD21      single
 CHS        CD2    HD22      single
 CHS        CE1    CZ        single
 CHS        CE1    HE11      single
 CHS        CE1    HE12      single
 CHS        CE2    CZ        single
 CHS        CE2    HE21      single
 CHS        CE2    HE22      single
 CHS        CZ     HZ1       single
 CHS        CZ     HZ2       single
 CHS        CH     CM        single
 CHS        CH     OH        single
 CHS        CH     HH        single
 CHS        OH     HO        single
 CHS        CM     C         single
 CHS        CM     HM1       single
 CHS        CM     HM2       single
 CHS        C      O         double
 CHS        C      OXT       single
 CHS        OXT    HXT       single