11006
  -OEChem-05112407163D

 50 49  0     0  0  0  0  0  0999 V2000
    0.6381    0.4162   -0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6469   -0.4183   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9120   -0.4328   -0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9201    0.4303   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1611    0.4472   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2038   -0.4052   -0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4703   -0.3484   -0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4792    0.4417   -0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7567    0.4821    0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7281   -0.4436    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0270   -0.3705    0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0380    0.3498    0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3120    0.4615    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2836   -0.5314    0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5780   -0.3813    0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5555    0.3030    0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6521    1.0759   -0.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6262    1.0650    0.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.0371   -1.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388   -1.1067    0.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8860   -1.1189    0.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9564   -1.0467   -1.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8859    1.0746    0.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9478    1.0940   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1169    1.0488    0.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1700    1.1517   -0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1796   -1.0558    0.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2282   -1.0631   -0.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4993   -0.9674   -0.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4597   -1.0443    0.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4689    1.0923    0.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5094    1.0917   -0.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7233    1.1293    0.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7953    1.1429   -0.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7192   -1.1138   -0.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6955   -1.0816    0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0102   -0.9959    0.9958 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0334   -1.0528   -0.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0279    1.0546    0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0910    0.9517   -0.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3104    1.1170   -0.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3334    1.1124    0.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2479   -1.1198    1.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3055   -1.2399   -0.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6332   -1.0271    0.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6081   -1.0149   -0.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4633    0.2620    0.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6352    0.8794   -0.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5771    1.0015    0.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4344   -0.3451    0.1759 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 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 12  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 14  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 15  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11006

> <PUBCHEM_CONFORMER_RMSD>
1.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
17
5
19
22
21
4
23
11
15
9
13
18
10
16
12
2
8
20
14
7
3
6

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
13

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 15 hydrophobe
1 16 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
00002AFE00000001

> <PUBCHEM_MMFF94_ENERGY>
-5.7336

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.149

> <PUBCHEM_SHAPE_FINGERPRINT>
14123256 10 18411138034621781483
14251764 18 18410855447243273083
14251764 46 18410573985156745379
155225 1 12463562999158062258
22224240 67 18408602573762019506
232437 2 18333731316921197618
23521765 1 18341894095129024885
23581129 1 18409449184756236295
246663 6 17530685407087965844
33684 2 18410855460128161794
67123 10 18410575097547980805
8209 1 18410856563934756869

> <PUBCHEM_SHAPE_MULTIPOLES>
329.27
35.25
0.79
0.62
0.71
0
0
-0.58
2.1
0
0
0
0
0.02

> <PUBCHEM_SHAPE_SELFOVERLAP>
582.556

> <PUBCHEM_SHAPE_VOLUME>
215.6

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$