7921
 OpenBabel05082101303D

 15 15  0  0  1  0  0  0  0  0999 V2000
   -0.0872   -0.9124   -0.5044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2343   -0.4915    0.1824 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1645   -0.2109   -0.4651 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7769    1.2483   -0.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5246    1.2079    0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9833   -0.7106    0.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0786   -0.1309    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7054   -0.4027   -1.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5861    1.6471   -1.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5376    1.8793    0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1950    2.0140    0.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3626    1.2318    1.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9389   -0.1822    0.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4452   -0.5873    1.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1837   -1.7822    0.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  6  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
7921

>  <PUBCHEM_CONFORMER_RMSD>
0.4

>  <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2

>  <PUBCHEM_MMFF94_PARTIAL_CHARGES>
5
1 -0.43
2 -0.57
3 0.28
5 0.06
7 0.66

>  <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0.8

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

>  <PUBCHEM_HEAVY_ATOM_COUNT>
7

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

>  <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>
2

>  <PUBCHEM_CONFORMER_ID>
00001EF100000002

>  <PUBCHEM_MMFF94_ENERGY>
4.1305

>  <PUBCHEM_FEATURE_SELFOVERLAP>
10.148

>  <PUBCHEM_SHAPE_FINGERPRINT>
137420 1 15619724542911219204
18185500 45 18338515343247153942
20096714 4 18053673756395180677
21040471 1 17982176926198700597
23552423 10 17972611995687318702
24536 1 18201164230351352797
29004967 10 17530964708858821024
5943 1 12172221875838317012

>  <PUBCHEM_SHAPE_MULTIPOLES>
132.32
2.28
1.26
0.78
0.21
0.37
-0.03
-0.72
-0.41
-0.05
0
-0.18
-0.01
-0.19

>  <PUBCHEM_SHAPE_SELFOVERLAP>
262.047

>  <PUBCHEM_SHAPE_VOLUME>
81

>  <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
