11344401
  -OEChem-05052415173D

 11 11  0     0  0  0  0  0  0999 V2000
    1.5290    0.7438    0.0008 S   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2816   -0.6099    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2746    0.7270    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -1.4261   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0294    1.5061   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1515   -0.9409   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2311   -1.1373    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2039    1.2860    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2485   -2.5015   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1183    2.6022   -0.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9873   -1.6331   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
11344401

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

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

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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>
00AD1A1100000001

> <PUBCHEM_MMFF94_ENERGY>
12.5864

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
16714656 1 18193848269269954668
18185500 45 18410570695254033702
20096714 4 18267023860179397426
21040471 1 18410575119054634688

> <PUBCHEM_SHAPE_MULTIPOLES>
127.33
1.83
1.71
0.63
0.26
0.02
0
-0.09
0
-0.01
0
0.02
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
240.325

> <PUBCHEM_SHAPE_VOLUME>
75.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$