9267
  -OEChem-05052415153D

 30 30  0     0  0  0  0  0  0999 V2000
    0.5020   -1.6538   -0.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9413   -1.3153   -0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5021   -1.6537    0.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1969   -0.0002    0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9413   -1.3153    0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9415    1.3155   -0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1969   -0.0001   -0.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5023    1.6537   -0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9415    1.3157    0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5022    1.6536    0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1972   -1.0028   -1.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5032   -2.6583   -1.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3141   -2.1330    0.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5622   -1.3275   -1.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5032   -2.6583    1.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1972   -1.0028    1.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6826   -0.0004    1.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2642   -0.0003    0.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3141   -2.1330   -0.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5622   -1.3277    1.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138    2.1329    0.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5629    1.3284   -1.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828   -0.0004   -1.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2642   -0.0002   -0.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5035    2.6582   -1.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1978    1.0026   -1.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3136    2.1330   -0.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5628    1.3287    1.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1978    1.0025    1.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5033    2.6581    1.0220 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 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9267

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
10
7
5
8
6
9
3
2
4

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
0000243300000001

> <PUBCHEM_MMFF94_ENERGY>
17.5632

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
16945 1 18410573985151451142
18185500 45 17617660955874619687
19973954 147 18410859858175030178
20201158 50 18337665407932029527
20651381 6 18410858762958122849
22802520 49 17912104771167380550
23235685 24 18410852165888499108
23552423 10 18334579044316903933
241688 4 17906173953722367576
2748010 2 18410857663467535766
2897 32 18048315836211916252
5084963 1 18199743652806818970
66348 1 18410576167074004294

> <PUBCHEM_SHAPE_MULTIPOLES>
205.8
3.19
2.4
0.83
0
0
0
0
0
0
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
379

> <PUBCHEM_SHAPE_VOLUME>
127.7

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$