8900
  -OEChem-04242412493D

 23 22  0     0  0  0  0  0  0999 V2000
    0.0121   -0.5058    0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2561    0.3507    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2696    0.3664    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5446   -0.4740   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379   -0.4864   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8081    0.3723   -0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    0.3768   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0085   -1.1562    0.9034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0194   -1.1571   -0.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2376    1.0153   -0.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2639    0.9951    0.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2722    1.0030    0.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2580    1.0323   -0.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5505   -1.1044   -0.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5631   -1.1499    0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5674   -1.1374    0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1359   -0.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6953   -0.2679   -0.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8427    1.0360   -0.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8550    0.9877    0.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8059    1.0157   -0.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8425    1.0180    0.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6839   -0.2533   -0.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8900

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
13
9
18
8
17
6
10
2
14
7
4
15
16
3
12
11
5

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
4

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

> <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>
000022C400000001

> <PUBCHEM_MMFF94_ENERGY>
-5.4392

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.223

> <PUBCHEM_SHAPE_FINGERPRINT>
11062470 55 18410575084663098401
12932764 1 18338783576739334307
14325111 11 18410573985156888298
20719005 15 18410012143695289547
5460574 1 9295289443376485610

> <PUBCHEM_SHAPE_MULTIPOLES>
144.06
7.04
0.8
0.62
0.13
0.02
0
-0.82
-0.08
-0.01
0
0
0
-0.01

> <PUBCHEM_SHAPE_SELFOVERLAP>
243.88

> <PUBCHEM_SHAPE_VOLUME>
98.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$