83498
  -OEChem-04252404503D

  5  4  0     0  0  0  0  0  0999 V2000
    1.0211    0.3541    2.1829 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5534    1.8154   -0.4740 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2026   -2.1183    0.0001 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.7350   -0.0513   -1.7090 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
83498

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
5
1 -0.3
2 -0.3
3 -0.3
4 -0.3
5 1.21

> <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>
0001462A00000001

> <PUBCHEM_MMFF94_ENERGY>
0.0404

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
14817 1 15401404135336178837
20711978 78 10297558969927698973
23211744 25 12602274185180638717
23211744 41 14536428053344807432
23552449 11 15722779139479255117
5943 1 8343447866286538754
68250623 7 8997676981818186344
76951 1 11284702278739603274

> <PUBCHEM_SHAPE_MULTIPOLES>
168.85
2.38
2.38
2.38
0.1
0.58
-1.02
-0.45
0.65
-2.04
0.38
1.93
-0.14
-0.16

> <PUBCHEM_SHAPE_SELFOVERLAP>
215.397

> <PUBCHEM_SHAPE_VOLUME>
141.6

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$