7892
  -OEChem-04252412483D

 20 19  0     0  0  0  0  0  0999 V2000
   -1.0701   -0.0205   -0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3009   -0.5615    0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4740    0.3245   -0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    1.3924    0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2254   -0.9195    0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7957   -0.2154    0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0872    0.0328   -1.4304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4401   -1.5671   -0.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3090   -0.6731    1.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3630    1.3416    0.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5129    0.3905   -1.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6147    2.1180   -0.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1047    1.4306    1.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2993    1.7342    0.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2764   -0.9903    1.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1839   -0.5326   -0.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1004   -1.9315   -0.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976   -0.2532    1.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9852   -1.2246   -0.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6218    0.4277   -0.1078 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  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  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
M  END
> <PUBCHEM_COMPOUND_CID>
7892

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

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

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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>
00001ED400000001

> <PUBCHEM_MMFF94_ENERGY>
1.1461

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.149

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 9150908169265567743
14390081 3 18202275875583584392
16714656 1 18272090530151213903
20096714 4 18266743471840046620
21040471 1 18051418370278651853
23552423 10 18188496774394857150
23552449 1 18341892974143002409
24536 1 18339634542978485262
29004967 10 16200157603219033622
5460574 1 9871754598137484054

> <PUBCHEM_SHAPE_MULTIPOLES>
123.48
3.58
1.16
0.67
1.79
0.29
-0.01
-0.56
0.25
-0.66
0.09
0.01
0.01
-0.08

> <PUBCHEM_SHAPE_SELFOVERLAP>
209.726

> <PUBCHEM_SHAPE_VOLUME>
85.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$