6374
  -OEChem-05102421143D

  5  4  0     0  0  0  0  0  0999 V2000
    1.8598    0.6377    0.1926 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3777   -1.9294    0.1925 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4822    1.2917    0.1925 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    0.0000   -0.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    0.0001   -1.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6374

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
4
1 -0.19
2 -0.19
3 -0.19
4 0.57

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
4
1 1 hydrophobe
1 2 hydrophobe
1 3 hydrophobe
4 1 2 3 4 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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>
000018E600000001

> <PUBCHEM_MMFF94_ENERGY>
0.0799

> <PUBCHEM_FEATURE_SELFOVERLAP>
20.912

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 10084602474163383782
16714656 1 18266466588151551488
20096714 4 18128814153420144844
21040471 1 18410858737388883124
23552449 1 18052815033598138992
23552449 11 16607994262863216186
5943 1 12606287423938277506

> <PUBCHEM_SHAPE_MULTIPOLES>
118.12
2.39
2.39
0.88
1.5
0.47
-0.03
-0.47
-0.24
-1.5
-0.24
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
149.975

> <PUBCHEM_SHAPE_VOLUME>
99.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$