4610720
  -OEChem-10101914383D

 13 12  0     0  0  0  0  0  0999 V2000
    0.5607   -0.5187    0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5712    0.5071    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9230    0.1571   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -0.1455   -0.0068 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.4878   -1.1603    0.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4764   -1.1719   -0.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4853    1.1540   -0.8736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4990    1.1477    0.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0541    0.7925    0.8751 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0442    0.7785   -0.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7189   -0.5943   -0.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7623    0.3820   -0.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0959   -1.0469    0.5671 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  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
M  CHG  1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
4610720

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2
3

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 3 hydrophobe
1 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>
00465AA000000001

> <PUBCHEM_MMFF94_ENERGY>
-2.6743

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.149

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 9151174250963444929
20096714 4 18412826910499937960
21015797 1 9222355538365446435
5460574 1 9295291642183417856

> <PUBCHEM_SHAPE_MULTIPOLES>
82.32
2.62
0.76
0.62
0.03
0
0
-0.01
0.01
0
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
131.36

> <PUBCHEM_SHAPE_VOLUME>
59.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$