11000
  -OEChem-10091910253D

 15 15  0     0  0  0  0  0  0999 V2000
    1.6856   -0.0019   -0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9631    1.2917    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9603   -1.2937    0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3461    1.5634    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3495   -1.5626    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4560    0.6701   -0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4574   -0.6671   -0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1177   -0.0024   -1.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345   -0.0027    0.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6296    2.1456    0.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6249   -2.1490    0.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6348    2.5997    0.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6403   -2.5982    0.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4099    1.1718   -0.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4123   -1.1667   -0.2405 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  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  2  0  0  0  0
  2 10  1  0  0  0  0
  3  5  2  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11000

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
13
1 0.28
10 0.15
11 0.15
12 0.15
13 0.15
14 0.15
15 0.15
2 -0.29
3 -0.29
4 -0.15
5 -0.15
6 -0.15
7 -0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0.2

> <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>
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>
00002AF800000001

> <PUBCHEM_MMFF94_ENERGY>
13.768

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
18185500 45 17905885881623214007
20096714 4 18410293583943146135
21040471 1 17977946009718311277

> <PUBCHEM_SHAPE_MULTIPOLES>
144.06
1.93
1.92
0.63
0.04
0
0
0
0.1
0.03
-0.09
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
285.385

> <PUBCHEM_SHAPE_VOLUME>
81.6

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$