7924
  -OEChem-04192411313D

 13 13  0     1  0  0  0  0  0999 V2000
   -0.0218    0.9508    0.0405 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7840   -1.1505    0.0333 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2453    0.6154   -0.0951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0961    0.0865    0.3926 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6257   -1.2401   -0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3928    0.5592   -0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    0.1787   -0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1805    0.0841    1.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0253   -2.0793    0.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8432   -1.3980   -1.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2992    0.6471   -1.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2155   -0.1244   -0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6511    1.5567    0.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7924

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
2
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
6
1 -0.43
2 -0.43
3 -0.57
4 0.28
5 0.28
7 0.87

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0.8

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
5 1 2 4 5 7 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
00001EF400000002

> <PUBCHEM_MMFF94_ENERGY>
8.1359

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
16714656 1 18410017671001753444
20096714 4 18410576192769916073
21040471 1 18411135844209559563
29004967 10 18114754754201976665
5460574 1 9439405726711290937

> <PUBCHEM_SHAPE_MULTIPOLES>
126.45
2.6
1.18
0.61
0.23
0.32
0.01
-0.8
-0.21
-0.01
-0.04
0.09
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
252.146

> <PUBCHEM_SHAPE_VOLUME>
76.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$