11215
  -OEChem-04232416143D

 26 25  0     0  0  0  0  0  0999 V2000
   -0.2304    0.4611   -0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.4941    0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5429   -0.3075   -0.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5623    1.5544    0.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2284    1.1795   -1.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2880   -1.6184   -0.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1664    0.2335    0.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2347   -1.0084    0.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4913   -0.9785    1.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3524   -1.0423   -1.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2652    0.3996   -0.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2510    2.2816    0.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7431    1.1252    1.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4565    2.1185    0.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5438    1.8712   -1.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1352    1.7705   -1.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4249    0.4709   -2.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0257   -2.2800   -0.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7382   -1.2267   -1.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4335   -2.2438   -0.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8846   -0.4801    1.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9632    0.9700    1.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6606    0.7395    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6012   -1.7837    1.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245   -0.3051    1.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1488   -1.4962    0.2861 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  4  1  0  0  0  0
  1  5  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  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  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
  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
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11215

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
4
2
3
5

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
3
1 8 hydrophobe
3 1 4 5 hydrophobe
3 2 6 7 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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>
00002BCF00000001

> <PUBCHEM_MMFF94_ENERGY>
19.3105

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.256

> <PUBCHEM_SHAPE_FINGERPRINT>
12423570 1 12873982547840838590
137420 1 13428005978720765348
14128692 85 17969790871777015302
20096714 4 9655576305385539087
20653091 64 17823991232256477139
20711978 78 17631440181681124414
21040471 1 17103107106203604052
23552333 60 17897750844513933361
24536 1 17768783417622462634
29004967 10 18412259566657790515
5084963 1 18188477000623519122
5943 1 15765792347731988421
68250623 7 16241893900546692369

> <PUBCHEM_SHAPE_MULTIPOLES>
164.64
2.48
1.62
1.22
0.25
0.01
0.24
-0.9
-0.68
-0.02
0.09
-0.1
0.35
0.19

> <PUBCHEM_SHAPE_SELFOVERLAP>
294.311

> <PUBCHEM_SHAPE_VOLUME>
110.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$