86067
  -OEChem-04162407143D

 29 28  0     1  0  0  0  0  0999 V2000
    0.2842   -0.0343   -0.4277 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5552    0.5395    0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0151    0.5018    0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2984   -1.5796   -0.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3087    0.0574   -0.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5687    2.0750    0.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8590    0.0585   -0.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878   -2.3186    0.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5294    0.7001    0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2951    0.3450   -1.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5609    0.2048    1.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0439    0.2156    1.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0070    1.5969    0.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5581   -1.9157   -1.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1737   -1.9023   -1.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4255   -1.0289   -0.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2752    0.3243   -1.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7900    2.4764    0.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4258    2.4865   -0.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5218    2.4534    0.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8727    0.2852   -1.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7283    0.5428    0.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9988   -1.0188   -0.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6070   -2.0851    1.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1688   -2.0802    1.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2929   -3.3994    0.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4830    1.7914    0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4424    0.3654   -0.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6041    0.4284    1.2399 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 10  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  9  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
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
86067

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
10
12
4
6
9
2
5
13
3
11
8
7

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
4

> <PUBCHEM_PHARMACOPHORE_FEATURES>
4
1 8 hydrophobe
1 9 hydrophobe
3 2 6 7 hydrophobe
5 1 2 3 4 5 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
0001503300000001

> <PUBCHEM_MMFF94_ENERGY>
9.2648

> <PUBCHEM_FEATURE_SELFOVERLAP>
20.345

> <PUBCHEM_SHAPE_FINGERPRINT>
1 1 18409444778151569223
10219947 1 18040437680875030709
14325111 11 18341330097398983093
15775835 57 18410012147626305645
170605 34 18272090496060357965
19021347 11 18337389340203171403
20645477 70 18267297630939743463
20653085 51 18059300979549098213
20653091 64 18051133596872371299
21040471 1 18266175217760224884
23235685 24 18409446994349451565
23526114 1 18123187905112689631
23552333 60 18129100013811334851
23552449 11 18119240667354612083
5084963 1 18202562903647079544
528862 383 17968928683221103386
81228 2 17613432663640704835

> <PUBCHEM_SHAPE_MULTIPOLES>
185.22
4.19
2.09
0.81
2.92
0.76
0.02
-1.79
-0.17
-0.84
0.5
-0.04
0.18
0.04

> <PUBCHEM_SHAPE_SELFOVERLAP>
326.253

> <PUBCHEM_SHAPE_VOLUME>
124

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$