9238
  -OEChem-05032423343D

 26 28  0     0  0  0  0  0  0999 V2000
    1.1015   -0.9170    0.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1435    0.1403    1.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5535   -0.6164   -1.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954    1.3931   -0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0418   -0.7723    1.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5451   -1.5247   -0.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6873    0.4734    0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6873   -0.4734   -0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5450    1.5247    0.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.7723   -1.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8827   -1.5674    0.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9545    0.2398    1.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9460   -1.0536   -2.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0176    2.3812   -0.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4584   -1.7588    1.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3441   -0.3550    2.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1384   -2.5241   -0.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3532   -1.6488   -1.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5149    0.3834   -0.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1028    0.9120    1.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4857    0.1592   -0.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1321   -1.4548   -0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1677    1.9815    1.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3238    2.1915    0.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8413    0.6875   -2.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7270    1.4263   -2.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9238

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1.2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
4
6 1 2 3 5 6 8 rings
6 1 2 4 5 7 9 rings
6 1 3 4 6 7 10 rings
6 2 3 4 8 9 10 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
0000241600000001

> <PUBCHEM_MMFF94_ENERGY>
17.7692

> <PUBCHEM_FEATURE_SELFOVERLAP>
32.864

> <PUBCHEM_SHAPE_FINGERPRINT>
12423570 1 13055464973652269467
13024252 1 15681302352327789834
137420 1 11305660709853207452
15557651 10 17538241362605410421
16945 1 11315186882864813370
241688 4 16839437874206713869
369184 2 14476960121069485424
5084963 1 17202507591724460852
68250623 7 14616818132760228706

> <PUBCHEM_SHAPE_MULTIPOLES>
205.8
1.56
1.56
1.56
0
0.09
0.15
-0.12
-0.07
-0.21
-0.09
0.21
0.03
0.13

> <PUBCHEM_SHAPE_SELFOVERLAP>
446.171

> <PUBCHEM_SHAPE_VOLUME>
102.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$