10487
  -OEChem-04182419493D

  5  4  0     0  0  0  0  0  0999 V2000
    1.1701    1.3605   -1.0547 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2452    1.0276    1.3136 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2330   -1.2872    1.0748 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1579   -1.1010   -1.3338 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0001    0.0001 C   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>
10487

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
5
1 -0.19
2 -0.19
3 -0.19
4 -0.19
5 0.76

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

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

> <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>
000028F700000001

> <PUBCHEM_MMFF94_ENERGY>
0.0109

> <PUBCHEM_FEATURE_SELFOVERLAP>
25.907

> <PUBCHEM_SHAPE_FINGERPRINT>
137420 1 15741430146577991496
16714656 1 12012900003742381205
20711978 78 11037713952522746436
23552449 11 11165159762780207343
5943 1 13603752355332882432
68250623 7 11575322894385872148

> <PUBCHEM_SHAPE_MULTIPOLES>
150.64
2.05
2.05
2.05
0
0.01
0.03
0.07
-0.05
-0.34
0.03
0.34
-0.09
-1.46

> <PUBCHEM_SHAPE_SELFOVERLAP>
199.266

> <PUBCHEM_SHAPE_VOLUME>
122.9

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$