14402303
  -OEChem-10111915013D

  9  8  0     0  0  0  0  0  0999 V2000
    1.2178   -1.4121    1.0106 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.0564   -1.4097 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2024    1.4969    0.8833 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2227   -0.0177   -0.2904 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9046   -0.0030   -0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5430   -0.0286   -0.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6216    0.0208    0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7190   -0.0960   -1.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5923    0.0876    1.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
14402303

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
9
1 -0.29
2 -0.29
3 -0.29
4 -0.14
5 1.01
6 -0.29
7 -0.01
8 0.15
9 0.15

> <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>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
00DBC2FF00000001

> <PUBCHEM_MMFF94_ENERGY>
5.7326

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
12932741 1 18341337798512572207
12932764 1 18409727366189311327
14390081 3 18410569622003021429
170605 34 17986382502345793281
21040471 1 17895758529096327978
23552333 60 17969227741571955346
23552423 10 17131835378248201223
23552449 11 18271512144153753163
24536 1 17275095154693482229
29004967 10 17240770549015558249
3248919 1 17095233727360766807
5943 1 12144859236459601616

> <PUBCHEM_SHAPE_MULTIPOLES>
151.54
3.75
1.27
1.26
3.76
0.04
0.18
-0.03
0.83
-0.76
-0.59
-0.85
-0.02
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
245.519

> <PUBCHEM_SHAPE_VOLUME>
105.9

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$