11207
  -OEChem-05072417583D

  8  7  0     0  0  0  0  0  0999 V2000
    0.0518    0.0001   -0.1072 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8239   -0.0005    1.2828 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931   -1.2661   -0.7316 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931    1.2667   -0.7307 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6618   -0.0001    0.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8876   -0.8973    0.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8876    0.8966    0.8662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2319    0.0002   -0.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11207

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
5
1 1.39
2 -0.2
3 -0.65
4 -0.65
5 0.11

> <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>
00002BC700000001

> <PUBCHEM_MMFF94_ENERGY>
2.4658

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 11787171430643895823
21015797 1 7902665367139730141
5943 1 12927609466548975895

> <PUBCHEM_SHAPE_MULTIPOLES>
87.73
1.37
1.11
1.02
0.89
0
-0.32
0
-0.07
-0.29
0.35
-0.27
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
144.725

> <PUBCHEM_SHAPE_VOLUME>
61.3

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$