14018
  -OEChem-10171907543D

 26 25  0     0  0  0  0  0  0999 V2000
    0.0001   -0.2902    0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004    1.0718    0.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2516   -0.4541   -0.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2512   -0.4545   -0.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006   -1.4130    1.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0009    2.3115   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6105   -0.3852   -0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103   -0.3864   -0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8711    1.1272    1.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8703    1.1279    1.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2289    0.3006   -1.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1926   -1.4239   -1.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2289    0.3002   -1.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1918   -1.4242   -1.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010   -2.4026    0.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -1.3525    1.7947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8761   -1.3519    1.7947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8898    2.3559   -0.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011    3.2109    0.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    2.3563   -0.6939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7397   -1.1882    0.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4054   -0.4946   -0.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7633    0.5745    0.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7638    0.5732    0.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4050   -0.4964   -0.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7390   -1.1895    0.5771 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  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  8  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>
14018

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2
3

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
3

> <PUBCHEM_PHARMACOPHORE_FEATURES>
5
1 5 hydrophobe
1 6 hydrophobe
1 7 hydrophobe
1 8 hydrophobe
4 1 2 3 4 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>
000036C200000001

> <PUBCHEM_MMFF94_ENERGY>
14.0194

> <PUBCHEM_FEATURE_SELFOVERLAP>
25.689

> <PUBCHEM_SHAPE_FINGERPRINT>
12423570 1 16301240156614848347
137420 1 14567611770576490089
14128692 85 17058926860657161767
16714656 1 18059857212242279415
20653091 64 18198339748536487187
23552449 1 18128256688488074684
29004967 10 18131074856611331526
5084963 1 13406793328461437943
54338 74 18260834774083912828
5943 1 10495065446084153834
68250623 7 17837770397680322711

> <PUBCHEM_SHAPE_MULTIPOLES>
164.64
2.71
1.78
1.05
0
1.3
0.11
-0.84
-0.59
0
0.32
0
-0.22
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
291.651

> <PUBCHEM_SHAPE_VOLUME>
110.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$