61112
  -OEChem-10091907333D

 11 10  0     0  0  0  0  0  0999 V2000
    1.4908    1.9288   -0.1536 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8319   -0.6103    0.2326 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0956   -1.7252    0.4119 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450   -0.6307   -1.4548 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2758    1.3941   -0.4403 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2120   -0.5769   -0.4708 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4956    0.2559    1.4072 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1371   -0.4715   -0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2240    0.1517    0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    0.2841    0.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1790    0.3652    1.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  9  1  0  0  0  0
  7  9  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>
61112

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2
3

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
10
1 -0.29
10 0.58
2 -0.29
3 -0.34
4 -0.34
5 -0.34
6 -0.34
7 -0.34
8 0.68
9 1.02

> <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>
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>
0000EEB800000001

> <PUBCHEM_MMFF94_ENERGY>
4.7031

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
137420 1 13990632748874975310
16945 1 18410008836306786058
21040471 1 18265891552323910424
23552423 10 18192422181219186854
24536 1 17058645162568881123
29004967 10 18188212005315055938
369184 2 18341039757730969466
5084963 1 18272363191833804264

> <PUBCHEM_SHAPE_MULTIPOLES>
173.17
2.91
1.57
0.97
0.75
0.49
-0.01
-0.16
0.21
0.52
-0.08
-0.19
-0.06
-0.09

> <PUBCHEM_SHAPE_SELFOVERLAP>
325.325

> <PUBCHEM_SHAPE_VOLUME>
110.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$