61105
  -OEChem-10091907323D

  8  7  0     0  0  0  0  0  0999 V2000
   -1.5478    1.4443   -0.4366 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5482   -1.4441   -0.4364 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7252   -1.4435   -0.0385 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7255    1.4434   -0.0383 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5271    0.0001    1.4243 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6176    0.0000    0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7900   -0.0002   -0.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7563    0.0000   -1.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
61105

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2
3

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
7
1 -0.29
2 -0.29
3 -0.29
4 -0.29
5 -0.34
6 0.92
7 0.58

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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>
0000EEB100000001

> <PUBCHEM_MMFF94_ENERGY>
5.5418

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
137420 1 17967802838895186225
16714656 1 17760644767986834406
20096714 4 18190178988293233037
21040471 1 18265894644531474204
23552333 60 18200600318404579835
23552423 10 18335137622078228542
24536 1 18266437906386355188
29004967 10 17974292328447859163
5084963 1 17984994936189012644
5943 1 7918091511288369771

> <PUBCHEM_SHAPE_MULTIPOLES>
144.26
2.47
1.92
0.91
0.3
0
0.23
0
-0.26
0.07
-0.23
-0.12
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
232.284

> <PUBCHEM_SHAPE_VOLUME>
103.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$