9233
  -OEChem-05181306133D

 19 20  0     0  0  0  0  0  0999 V2000
   -0.0003   -1.1128   -0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    1.1127   -0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002   -0.0001   -1.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2504   -0.7684    0.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2511   -0.7677    0.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2514    0.7678    0.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2504    0.7685    0.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005   -2.1318   -0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004    2.1316   -0.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8950   -0.0003   -2.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8955    0.0001   -2.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1563   -1.1455    0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117   -1.1796    1.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -1.1798    1.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1570   -1.1435    0.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2142    1.1800    1.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1571    1.1433    0.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1563    1.1453    0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2119    1.1799    1.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9233

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
7 1 2 3 4 5 6 7 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
0000241100000001

> <PUBCHEM_MMFF94_ENERGY>
19.7761

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
12423570 1 9284973820773407199
137420 1 13564211241433432270
21040471 1 18194138338418189337
29004967 10 15937241364666971425
5943 1 11207681618084019014

> <PUBCHEM_SHAPE_MULTIPOLES>
144.06
1.51
1.31
1.06
0
0
-0.3
0
0.45
0
0.06
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
302.997

> <PUBCHEM_SHAPE_VOLUME>
80.7

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$