11269
  -OEChem-05082416293D

 26 25  0     0  0  0  0  0  0999 V2000
    0.0203   -0.4305    0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2514    0.4632    0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3235    0.2337   -0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1817   -1.8298   -0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6123    0.7700   -1.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4721   -0.1286    0.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6199    1.5891    0.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5539   -0.6671   -0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1693   -0.5771    1.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0549    1.4197    0.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2112    0.3995   -1.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1156   -2.2905    0.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6139   -2.5146    0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1888   -1.7940   -1.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8457   -0.1403   -1.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4932    1.4202   -1.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8008    1.2925   -1.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241   -0.4110    1.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8687   -1.0082    0.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2799    0.6105    0.9369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5823    1.9870    0.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8630    2.3343    0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6575    1.5015    1.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4904   -1.5668   -0.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.9716    1.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4692   -0.1457   -0.3422 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  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  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>
11269

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
3
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
3
1 4 hydrophobe
3 2 5 6 hydrophobe
3 3 7 8 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>
00002C0500000001

> <PUBCHEM_MMFF94_ENERGY>
14.2454

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.23

> <PUBCHEM_SHAPE_FINGERPRINT>
10857977 72 17531536498076496753
15310529 11 17458350736452225702
20096714 4 18412828009911222096
21040471 1 18340772653582929856
23235685 24 18202007620426299608
24536 1 17917142922376418424
29004967 10 18269561541743408690
5084963 1 17967541163612279785

> <PUBCHEM_SHAPE_MULTIPOLES>
164.64
3.27
1.54
0.98
0.25
0.24
0.16
-0.26
-0.36
0.43
0.06
-0.54
-0.16
0.35

> <PUBCHEM_SHAPE_SELFOVERLAP>
291.218

> <PUBCHEM_SHAPE_VOLUME>
111

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$