10352
  -OEChem-05052423043D

 17 18  0     1  0  0  0  0  0999 V2000
    0.0288   -1.1167   -0.3119 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0285    1.1167   -0.3119 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0373    0.0000   -1.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2558   -0.7771    0.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2559    0.7769    0.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087   -0.6706    0.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    0.6708    0.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0979   -2.1309   -0.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0974    2.1309   -0.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9350    0.0000   -1.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8518   -0.0001   -2.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2515   -1.1830    1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1444   -1.1519   -0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448    1.1515   -0.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2518    1.1828    1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8884   -1.3117    1.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8880    1.3121    1.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  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  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10352

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
6
1 0.14
16 0.15
17 0.15
2 0.14
6 -0.29
7 -0.29

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0.6

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
7 1 2 3 4 5 6 7 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
0000287000000001

> <PUBCHEM_MMFF94_ENERGY>
28.9789

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
12423570 1 9357031423422362230
137420 1 11301173705974116164
21040471 1 18194135022671801297
29004967 10 15430038781098780456
5943 1 13061961609856027653

> <PUBCHEM_SHAPE_MULTIPOLES>
144.06
1.48
1.27
1.05
0.06
0
-0.3
0
0.43
0.05
0.04
-0.02
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
310.777

> <PUBCHEM_SHAPE_VOLUME>
81

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$