520384
  -OEChem-04192404453D

 26 27  0     1  0  0  0  0  0999 V2000
    0.4919    0.4831   -0.0328 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7204    0.4078   -0.9427 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0725    1.6836   -0.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9347    0.1424   -0.0576 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7243   -0.2479   -0.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0449    0.2614    1.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3730    0.0638    1.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6392   -1.1524   -0.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9124    0.1259    0.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5112   -1.7678   -0.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6861   -0.1364   -1.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3739    2.5265   -0.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6699    1.9761   -1.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6357    0.9819   -0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9994    0.0195   -1.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5689    0.2731    2.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9588   -0.1027    2.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621   -2.0126   -0.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4898   -1.3487    0.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0152   -1.0945   -1.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7741   -0.2147    1.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8347   -0.3291    0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0566    1.2115    0.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745   -2.1284    0.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4152   -2.2878   -0.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6927   -2.0674   -1.0612 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  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
520384

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
8
11
10
5
4
7
9
3
12
2
6

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
12
1 -0.05
11 0.1
12 0.1
13 0.1
16 0.15
17 0.15
2 -0.19
3 -0.2
4 0.23
5 0.09
6 -0.19
7 -0.29

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1.4

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
3 5 9 10 hydrophobe
6 1 2 3 4 6 7 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
0007F0C000000001

> <PUBCHEM_MMFF94_ENERGY>
26.3776

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.148

> <PUBCHEM_SHAPE_FINGERPRINT>
12423570 1 14189020054114944825
13024252 1 16444495376242071404
137420 1 7920340441742453340
14128692 85 18199750421765058863
15076042 46 16342307843672690382
16945 1 18272373091670130877
20711978 78 17610104317536756609
21040471 1 16446441426055985316
21922407 69 17988103147859265192
29004967 10 18334866012577950160
369184 2 18130785595027393504
5084963 1 18272368655454184846

> <PUBCHEM_SHAPE_MULTIPOLES>
205.8
3.33
1.4
1.21
0.48
0.21
-0.32
1.07
-0.05
0.15
0.43
-0.25
-0.16
0.01

> <PUBCHEM_SHAPE_SELFOVERLAP>
423.858

> <PUBCHEM_SHAPE_VOLUME>
122.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$