62407
  -OEChem-04262407513D

  5  4  0     0  0  0  0  0  0999 V2000
   -1.7149    0.0000    0.0926 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7779    1.0899    0.1402 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7780   -1.0899    0.1402 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1590    0.0000   -0.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2565    0.0000   -1.4611 H   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
  4  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62407

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
4
1 -0.23
2 -0.34
3 -0.34
4 0.91

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
1 1 hydrophobe

> <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>
0000F3C700000001

> <PUBCHEM_MMFF94_ENERGY>
0.3429

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 9726759787705784855
20096714 4 18200880698333272569
21015797 1 8645955280723898927
5943 1 17269234624378297346

> <PUBCHEM_SHAPE_MULTIPOLES>
73.71
1.8
1.03
0.65
0.94
0
0.03
0
-0.1
-0.34
-0.08
0.09
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
113.024

> <PUBCHEM_SHAPE_VOLUME>
55

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$