24556
  -OEChem-04272400573D

  5  4  0     0  0  0  0  0  0999 V2000
    0.0000   -0.0001    0.0001 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5772    0.8333    1.2341 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0269   -1.1610   -0.3852 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1991    0.9716   -1.2518 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4050   -0.6439    0.4028 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24556

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
5
1 1.64
2 -0.41
3 -0.41
4 -0.41
5 -0.41

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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>
00005FEC00000001

> <PUBCHEM_MMFF94_ENERGY>
0.0704

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
21015797 1 14798061788301629801
5943 1 9054349581810145644

> <PUBCHEM_SHAPE_MULTIPOLES>
92.02
1.15
1.15
1.15
0.15
0.01
-0.03
0.29
-0.09
-0.08
0.12
-0.07
-0.31
-0.31

> <PUBCHEM_SHAPE_SELFOVERLAP>
155.251

> <PUBCHEM_SHAPE_VOLUME>
60.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$