#
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
INU      INU 'N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHY' non-polymer        63  34 M
#
data_comp_INU
#
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
 INU           CA     C    .         0.000
 INU           CA2    C    .         0.000
 INU           OA2    O    .         0.000
 INU           OA3    O    .         0.000
 INU           CA4    C    .         0.000
 INU           CA5    C    .         0.000
 INU           CA6    C    .         0.000
 INU           OA6    O    .         0.000
 INU           CB1    C    .         0.000
 INU           CB2    C    .         0.000
 INU           CB3    C    .         0.000
 INU           CB4    C    .         0.000
 INU           CB5    C    .         0.000
 INU           CB6    C    .         0.000
 INU           CG1    C    .         0.000
 INU           CG2    C    .         0.000
 INU           CG3    C    .         0.000
 INU           CG4    C    .         0.000
 INU           CD1    C    .         0.000
 INU           CD2    C    .         0.000
 INU           CD3    C    .         0.000
 INU           CD4    C    .         0.000
 INU           CD5    C    .         0.000
 INU           CD6    C    .         0.000
 INU           N      N    .         0.000
 INU           S      S    .         0.000
 INU           O1     O    .         0.000
 INU           O2     O    .         0.000
 INU           CE1    C    .         0.000
 INU           CE2    C    .         0.000
 INU           CE3    C    .         0.000
 INU           CE4    C    .         0.000
 INU           CE5    C    .         0.000
 INU           CE6    C    .         0.000
 INU           HO6    H    .         0.000
 INU           HB2    H    .         0.000
 INU           HB3    H    .         0.000
 INU           HB4    H    .         0.000
 INU           HB6    H    .         0.000
 INU           HG1    H    .         0.000
 INU           HG2    H    .         0.000
 INU           HG31   H    .         0.000
 INU           HG32   H    .         0.000
 INU           HG41   H    .         0.000
 INU           HG42   H    .         0.000
 INU           HD11   H    .         0.000
 INU           HD12   H    .         0.000
 INU           HD21   H    .         0.000
 INU           HD22   H    .         0.000
 INU           HD31   H    .         0.000
 INU           HD32   H    .         0.000
 INU           HD41   H    .         0.000
 INU           HD42   H    .         0.000
 INU           HD51   H    .         0.000
 INU           HD52   H    .         0.000
 INU           HD61   H    .         0.000
 INU           HD62   H    .         0.000
 INU           HN     H    .         0.000
 INU           HE2    H    .         0.000
 INU           HE3    H    .         0.000
 INU           HE4    H    .         0.000
 INU           HE5    H    .         0.000
 INU           HE6    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
 INU        CA     CA2       single
 INU        CA     CA6       double
 INU        CA     CG1       single
 INU        CA2    OA2       double
 INU        CA2    OA3       single
 INU        OA3    CA4       single
 INU        CA4    CA5       double
 INU        CA4    CD1       single
 INU        CA5    CA6       single
 INU        CA5    CD6       single
 INU        CA6    OA6       single
 INU        OA6    HO6       single
 INU        CB1    CB2       double
 INU        CB1    CB6       single
 INU        CB1    CG1       single
 INU        CB2    CB3       single
 INU        CB2    HB2       single
 INU        CB3    CB4       double
 INU        CB3    HB3       single
 INU        CB4    CB5       single
 INU        CB4    HB4       single
 INU        CB5    CB6       double
 INU        CB5    N         single
 INU        CB6    HB6       single
 INU        CG1    CG2       single
 INU        CG1    HG1       single
 INU        CG2    CG3       single
 INU        CG2    CG4       single
 INU        CG2    HG2       single
 INU        CG3    CG4       single
 INU        CG3    HG31      single
 INU        CG3    HG32      single
 INU        CG4    HG41      single
 INU        CG4    HG42      single
 INU        CD1    CD2       single
 INU        CD1    HD11      single
 INU        CD1    HD12      single
 INU        CD2    CD3       single
 INU        CD2    HD21      single
 INU        CD2    HD22      single
 INU        CD3    CD4       single
 INU        CD3    HD31      single
 INU        CD3    HD32      single
 INU        CD4    CD5       single
 INU        CD4    HD41      single
 INU        CD4    HD42      single
 INU        CD5    CD6       single
 INU        CD5    HD51      single
 INU        CD5    HD52      single
 INU        CD6    HD61      single
 INU        CD6    HD62      single
 INU        N      S         single
 INU        N      HN        single
 INU        S      CE1       single
 INU        S      O1        double
 INU        S      O2        double
 INU        CE1    CE2       double
 INU        CE1    CE6       single
 INU        CE2    CE3       single
 INU        CE2    HE2       single
 INU        CE3    CE4       double
 INU        CE3    HE3       single
 INU        CE4    CE5       single
 INU        CE4    HE4       single
 INU        CE5    CE6       double
 INU        CE5    HE5       single
 INU        CE6    HE6       single