7296
  -OEChem-04202400103D

 18 18  0     0  0  0  0  0  0999 V2000
   -0.7769    0.0008    0.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0229   -1.1888   -0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0233    1.1873   -0.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4776   -0.7645    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4763    0.7652    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    0.0000   -0.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7505    0.0034    1.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1842   -1.3627   -1.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2032   -2.1130    0.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2072    2.1158    0.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1773    1.3512   -1.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1088   -1.1668   -0.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8725   -1.1403    0.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8559    1.1305    0.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1184    1.1781   -0.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7471    0.8871    0.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2953   -0.0023   -1.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7473   -0.8854    0.2761 H   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  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7296

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
5 1 2 3 4 5 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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>
00001C8000000001

> <PUBCHEM_MMFF94_ENERGY>
5.6214

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 9367047961455956603
16714656 1 18410865360381187654
20096714 4 18338801241960967256
21040471 1 18267022936787789552
29004967 10 18333737905131699161
5943 1 13481922777767400956

> <PUBCHEM_SHAPE_MULTIPOLES>
123.48
2.27
1.28
0.65
0.84
0
0.01
0
-0.03
-0.3
-0.07
0.02
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
234.093

> <PUBCHEM_SHAPE_VOLUME>
75.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$