11447
  -OEChem-04252405123D

 26 25  0     1  0  0  0  0  0999 V2000
   -0.3975    0.7254    0.3141 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1189   -0.6511    0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0695    0.6957   -0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1419    1.8397   -0.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9247   -0.3881    0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5512   -0.5780    0.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1334   -1.2702   -1.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3488   -0.3735   -0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3737    1.0168    1.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5865   -1.3456    0.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5272    1.6741    0.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936    0.5626   -1.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6084    2.7918   -0.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2294    1.6207   -1.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1464    1.9960   -0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414   -0.2372    1.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5121   -1.3839    0.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5719   -0.1053    1.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9707   -1.5847    0.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2140   -0.0175    0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6211   -2.2513   -1.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1223   -1.4226   -1.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6818   -0.6461   -1.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9449   -1.1516    0.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8295    0.5914    0.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3641   -0.5587   -1.1294 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  9  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  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>
11447

> <PUBCHEM_CONFORMER_RMSD>
0.6

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
3

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

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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>
00002CB700000001

> <PUBCHEM_MMFF94_ENERGY>
7.5409

> <PUBCHEM_FEATURE_SELFOVERLAP>
20.418

> <PUBCHEM_SHAPE_FINGERPRINT>
12932741 1 17774425119449037520
12932764 1 18272644645857943906
137420 1 10828675716804900109
15310529 11 18260269629322835130
16714656 1 18413109454685979067
18185500 45 17981883356504374727
20871998 184 18341614780563107796
21040471 1 17975968765741971776
23211744 41 14260258413606735339
23552423 10 18040999574350892992
29004967 10 17969785378640405505
369184 2 15626218013797965594

> <PUBCHEM_SHAPE_MULTIPOLES>
164.64
3.94
1.5
0.94
3.11
0.54
-0.13
-1.07
0.55
-0.74
-0.35
-0.36
-0.22
0.01

> <PUBCHEM_SHAPE_SELFOVERLAP>
288.684

> <PUBCHEM_SHAPE_VOLUME>
110.9

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$