8033
  -OEChem-04242402483D

 28 27  0     0  0  0  0  0  0999 V2000
   -0.4589    0.0004    0.5664 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4631   -0.0004   -0.5603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7611    0.0000   -0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7597    0.0001    0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9071   -1.2552   -0.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7785   -0.0070    1.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9130    1.2617   -0.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9079   -1.2538    0.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7740   -0.0087   -1.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9137    1.2630    0.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6590   -2.1529   -0.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9309   -1.3597   -1.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2405   -1.2483   -1.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6450    0.8680    1.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6413   -0.8870    1.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8072   -0.0076    0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2429    1.2667   -1.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9363    1.3627   -1.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6726    2.1558   -0.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6577   -2.1525    0.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331   -1.3579    1.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2447   -1.2455    1.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6391    0.8653   -1.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6354   -0.8897   -1.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036   -0.0088   -0.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470    1.2693    1.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9383    1.3649    1.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6711    2.1563    0.2783 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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8033

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
4
1 -0.28
2 -0.28
3 0.28
4 0.28

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
3

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
4 3 5 6 7 hydrophobe
4 4 8 9 10 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
00001F6100000001

> <PUBCHEM_MMFF94_ENERGY>
23.5429

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.149

> <PUBCHEM_SHAPE_FINGERPRINT>
10857977 72 17676775369871940201
12897270 3 18262511606198206943
12932741 1 18131625703409982468
12932764 1 18410572885639823367
14390081 3 18333725827583747692
15310529 11 18041005011600057215
15775835 57 18410857663446501575
20082192 1 17988914591614114158
207724 885 17488201330142123818
23235687 12 18131346435988355057
23552423 10 18271240637585165847
24536 1 17203601601319672177
29004967 10 17676488354076077280
369184 2 18411408519125308873
5084963 1 18341894142473911532
8030462 33 18113328704600127767

> <PUBCHEM_SHAPE_MULTIPOLES>
194.06
4.47
1.27
1.24
0.01
0.01
0
0
0
0
0
0
-0.01
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
357.731

> <PUBCHEM_SHAPE_VOLUME>
127

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$