10907
  -OEChem-05092423253D

 26 25  0     0  0  0  0  0  0999 V2000
   -1.1545   -0.0936    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2112   -0.7723    0.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4706   -0.1336   -0.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3309   -1.0740    0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1410    0.5409   -1.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3731    1.0313    1.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5644    1.3445    0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7535   -0.8433    0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1673   -1.8054   -0.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -0.8661    1.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4209   -0.2077   -1.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2309   -1.8797   -0.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2905   -0.5765   -0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3738   -1.5343    1.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1565    0.8594   -1.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5288    1.4283   -1.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8400   -0.1954   -2.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7309    1.9015    0.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3990    1.4147    0.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2485    0.6611    2.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4702    1.4718    1.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5599    1.7259   -0.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8806    2.0209   -0.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8918   -0.7731    1.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6327   -0.4061   -0.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7176   -1.9044   -0.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  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>
10907

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
3 3 7 8 hydrophobe
4 1 4 5 6 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>
00002A9B00000001

> <PUBCHEM_MMFF94_ENERGY>
25.6005

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.149

> <PUBCHEM_SHAPE_FINGERPRINT>
12897270 3 17821999939199571015
12932764 1 17894633608922018226
15310529 11 17560807653517841972
21040471 1 17699306372848037601
23552423 10 18335706073853048866
24536 1 18272926111696054640
29004967 10 18202002101509589542
369184 2 18412542106680791499
5084963 1 18113900476558819190

> <PUBCHEM_SHAPE_MULTIPOLES>
164.64
3.39
1.32
1.02
1.2
0.17
-0.19
-0.84
0.17
0.06
0.16
-0.44
0.26
-0.06

> <PUBCHEM_SHAPE_SELFOVERLAP>
295.482

> <PUBCHEM_SHAPE_VOLUME>
110.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$