10041
  -OEChem-04252408153D

 17 16  0     0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3467    0.3727    0.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8961    1.2449   -0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359   -0.5385   -1.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6864   -1.0791    0.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2106    0.7613    1.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8616    1.1428    0.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0095   -0.4977    0.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8669    1.0100   -0.5184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828    1.6532    0.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4318    2.0348   -0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8737   -1.4294   -1.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7257    0.2109   -2.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7093   -0.8138   -1.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8684   -0.7234    1.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6524   -1.3666    0.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0693   -1.9822    0.9165 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  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  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
M  END
> <PUBCHEM_COMPOUND_CID>
10041

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

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

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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>
0000273900000001

> <PUBCHEM_MMFF94_ENERGY>
8.5018

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
21015797 1 13819237569022426240
5943 1 14102923088085647366

> <PUBCHEM_SHAPE_MULTIPOLES>
102.9
1.25
1.25
1.24
0.2
0.05
0.51
-0.19
-0.3
-0.46
-0.21
0.27
0.14
0.15

> <PUBCHEM_SHAPE_SELFOVERLAP>
177.049

> <PUBCHEM_SHAPE_VOLUME>
72.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$