61437
  -OEChem-04202400063D

  4  3  0     0  0  0  0  0  0999 V2000
    0.7581   -1.4874    0.1399 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9093    1.4001    0.1399 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6674    0.0872    0.1399 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0001   -0.4196 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
61437

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
4
1 -0.05
2 -0.05
3 -0.05
4 0.15

> <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>
0000EFFD00000001

> <PUBCHEM_MMFF94_ENERGY>
0.0001

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 9797963056882373483
20096714 4 18199472245270600641
21015797 1 8646499517510099293
5943 1 15005555485187250866

> <PUBCHEM_SHAPE_MULTIPOLES>
82.95
1.76
1.76
0.67
0.88
0.35
0.02
-0.35
0.13
-0.88
0.13
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
112.457

> <PUBCHEM_SHAPE_VOLUME>
66.3

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$