6365
  -OEChem-04262418073D

  8  7  0     0  0  0  0  0  0999 V2000
    1.4562   -0.7898   -0.1248 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4564   -0.7894   -0.1249 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0839    0.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    1.4954   -0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1026    1.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004    1.4989   -1.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828    2.0487    0.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8834    2.0484    0.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6365

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
3
1 -0.29
2 -0.29
3 0.58

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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>
000018DD00000001

> <PUBCHEM_MMFF94_ENERGY>
0.4376

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 8790886280599926835
16714656 1 18122916321466578581
20096714 4 17254832495465798725
21015797 1 9006521371468108521
5943 1 10797602972479080648

> <PUBCHEM_SHAPE_MULTIPOLES>
86.06
1.74
1.5
0.69
0
0.59
-0.01
-0.85
0.13
0
0.12
0
-0.01
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
127.402

> <PUBCHEM_SHAPE_VOLUME>
65.3

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$