123523
  -OEChem-05251305083D

  6  5  0     0  0  0  0  0  0999 V2000
    3.6395    0.0009    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6396    0.0013    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6860   -0.0008   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.0011   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8860    0.0002    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8859   -0.0005    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  3  0  0  0  0
  4  6  3  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
123523

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
4
1 -0.1
2 -0.1
5 0.1
6 0.1

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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>
0001E28300000001

> <PUBCHEM_MMFF94_ENERGY>
-0.3648

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
11062470 55 18411699885063600993
5460574 1 8935001472970522626

> <PUBCHEM_SHAPE_MULTIPOLES>
127.22
6.61
0.63
0.63
0
0
0
0
0
0
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
216.189

> <PUBCHEM_SHAPE_VOLUME>
83.6

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$