61110
  -OEChem-10091907333D

 11 10  0     1  0  0  0  0  0999 V2000
   -0.2319   -2.1289    0.4353 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7445    0.2989    1.6744 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4959   -0.4665   -1.4869 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760    1.4190   -0.5557 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0733   -0.5526   -0.7218 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5128   -0.2497    0.3131 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4050    1.5875   -0.0327 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2111   -0.4387   -0.1499 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1785    0.1763   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3157    0.3547    0.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1790    0.4682    1.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
61110

> <PUBCHEM_CONFORMER_RMSD>
0.4

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
10
1 -0.29
10 0.68
2 -0.29
3 -0.34
4 -0.34
5 -0.34
6 -0.34
7 -0.34
8 0.63
9 0.97

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
0000EEB600000001

> <PUBCHEM_MMFF94_ENERGY>
4.3033

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
12423570 1 11450056282105458738
137420 1 14496038902147054891
16945 1 18338814350196016294
20711978 78 15140946400926745410
21040471 1 18411703200794197370
21922407 69 17680131160795460312
23552333 60 17100849113073672594
24536 1 18195799889471477662
5084963 1 18272942595791105785

> <PUBCHEM_SHAPE_MULTIPOLES>
173.17
2.45
1.59
1.2
0.12
0.52
0.09
-0.4
0.51
0.31
0.07
-0.48
0.02
0.03

> <PUBCHEM_SHAPE_SELFOVERLAP>
324.401

> <PUBCHEM_SHAPE_VOLUME>
110.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$