11412
  -OEChem-10171907543D

 26 25  0     1  0  0  0  0  0999 V2000
   -0.4680   -0.0536    0.6234 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4681   -0.0513   -0.6235 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9734    0.0386    0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9734    0.0396   -0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2463   -1.2640    1.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2459   -1.2582   -1.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3523    1.2755   -0.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3525    1.2734    0.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2378    0.8412    1.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379    0.8457   -1.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5442    0.0614    1.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3058   -0.8577   -0.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3057   -0.8587    0.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5442    0.0657   -1.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8691   -1.1828    2.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5080   -2.2034    1.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920   -1.3291    1.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7924   -1.3219   -1.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8688   -1.1739   -2.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5073   -2.1995   -1.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9529    1.2336   -1.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4417    1.3502   -0.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9854    2.1865   -0.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4420    1.3476    0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9531    1.2277    1.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9857    2.1863    0.0449 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  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  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>
11412

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
17
5
15
16
18
6
2
4
14
20
12
3
13
19
8
9
11
10
7

> <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>
2

> <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>
00002C9400000001

> <PUBCHEM_MMFF94_ENERGY>
8.2838

> <PUBCHEM_FEATURE_SELFOVERLAP>
25.752

> <PUBCHEM_SHAPE_FINGERPRINT>
12897270 3 17703507718621115989
137420 1 13297942399092778075
14390081 3 18334852775795069245
20653085 51 18201723993655487116
20711978 78 17317853924810258546
21040471 1 17458642080978972035
23211744 41 18409171004204168465
23552333 60 16270533928019314767
23552423 10 15625120628157922053
29004967 10 17774175512781431955
5084963 1 18335432265292760733
5943 1 15478202686058519970

> <PUBCHEM_SHAPE_MULTIPOLES>
164.64
3.04
1.42
1.4
0
0.02
0
1.78
0
0
0
0
-0.67
0.51

> <PUBCHEM_SHAPE_SELFOVERLAP>
288.458

> <PUBCHEM_SHAPE_VOLUME>
111

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$