7907
  -OEChem-04262420023D

 23 22  0     0  0  0  0  0  0999 V2000
    0.0858    0.6566   -0.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.2834   -0.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1221    0.1383    0.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5956   -1.2279   -0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8418    0.9493    0.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0873   -1.3831    0.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5256    0.5835   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1652    1.7499   -0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3469    0.2766   -1.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9908    0.6743   -1.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9273    0.5860    1.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6524   -1.4253   -0.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0377   -1.7849   -1.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4735   -1.6420    0.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138    0.7820    1.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3203    0.5522    1.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6781    2.0314    0.8321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3659   -1.7161    1.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9739   -1.9041   -0.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0472   -1.7298    0.8537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2719    0.2832    0.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8092    0.1442   -1.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5753    1.6733   -0.2184 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  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  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
M  END
> <PUBCHEM_COMPOUND_CID>
7907

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
3 2 4 5 hydrophobe
3 3 6 7 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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>
00001EE300000001

> <PUBCHEM_MMFF94_ENERGY>
15.7557

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.149

> <PUBCHEM_SHAPE_FINGERPRINT>
16714656 1 18261391221298371710
18185500 45 18336539512288466727
20096714 4 18342175527198338576
21040471 1 18129100030796109345
23552333 60 18262216894343429467
23552423 10 18261390018681447334
24536 1 17916853634643199798
29004967 10 17240491277341454000
5084963 1 18262510511276938948

> <PUBCHEM_SHAPE_MULTIPOLES>
144.06
3
1.36
0.88
0.84
0.45
-0.04
-0.41
-0.2
-0.17
-0.11
-0.2
-0.1
-0.41

> <PUBCHEM_SHAPE_SELFOVERLAP>
252.736

> <PUBCHEM_SHAPE_VOLUME>
97.3

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$