263
 OpenBabel05082101303D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -1.6715    0.6837    0.4149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0520   -1.0214   -0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0656   -0.2190    0.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1227   -0.1143   -0.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7806    0.6710   -0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3553   -1.6705   -0.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5030   -1.6680    0.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7920   -0.9230    1.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.3807    1.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7545    0.5293   -1.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9325   -0.7241   -1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1036    0.1027   -1.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1501    1.5007   -0.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6720    1.1084    0.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0584    1.4198    0.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
263

>  <PUBCHEM_CONFORMER_RMSD>
0.4

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

>  <PUBCHEM_MMFF94_PARTIAL_CHARGES>
3
1 -0.68
15 0.4
4 0.28

>  <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

>  <PUBCHEM_PHARMACOPHORE_FEATURES>
3
1 1 acceptor
1 1 donor
1 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>
0000010700000007

>  <PUBCHEM_MMFF94_ENERGY>
0.3198

>  <PUBCHEM_FEATURE_SELFOVERLAP>
15.223

>  <PUBCHEM_SHAPE_FINGERPRINT>
16714656 1 18057891427196351159
20096714 4 18335419084201555692
21015797 1 9006508280418495631
21040471 1 18271802406417318978
24536 1 18339630213656894454
5943 1 16120814413138864146

>  <PUBCHEM_SHAPE_MULTIPOLES>
97.03
2.2
0.99
0.82
0.18
0.11
0
-0.68
0.02
0.01
0
-0.03
-0.02
-0.23

>  <PUBCHEM_SHAPE_SELFOVERLAP>
162.199

>  <PUBCHEM_SHAPE_VOLUME>
66.6

>  <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
