7463
 OpenBabel05082101303D

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.1709    0.0000   -0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6854    0.0000   -0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8159   -1.2605    0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8162    1.2604    0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0093    1.2080   -0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0093   -1.2080   -0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0935    0.0000    0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3987    1.2080   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3987   -1.2080   -0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5789    0.0000    0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4082   -0.0001   -1.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033   -1.4174    1.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9084   -1.1709    0.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5856   -2.1608   -0.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5858    2.1608   -0.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9088    1.1707    0.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5038    1.4174    1.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4807    2.1732   -0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4806   -2.1731   -0.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9300    2.1553    0.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9299   -2.1553    0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9268   -0.8808    0.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9266    0.8800    0.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0440    0.0009   -0.8059 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  4  1  0  0  0  0
  1 11  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  6  9  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
7463

>  <PUBCHEM_CONFORMER_RMSD>
0.4

>  <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2

>  <PUBCHEM_MMFF94_PARTIAL_CHARGES>
12
1 0.14
10 0.14
18 0.15
19 0.15
2 -0.14
20 0.15
21 0.15
5 -0.15
6 -0.15
7 -0.14
8 -0.15
9 -0.15

>  <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

>  <PUBCHEM_PHARMACOPHORE_FEATURES>
2
3 1 3 4 hydrophobe
6 2 5 6 7 8 9 rings

>  <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>
00001D2700000002

>  <PUBCHEM_MMFF94_ENERGY>
27.9124

>  <PUBCHEM_FEATURE_SELFOVERLAP>
10.148

>  <PUBCHEM_SHAPE_FINGERPRINT>
10219947 1 18410578383583025645
10857977 72 18336261340104644593
12032990 46 18336555949344761675
12524768 44 18341619217375185350
12932764 1 18410576188596268228
14325111 11 18411138030522122933
15775835 57 18341898523456649928
16945 1 18410576188501322583
193761 8 13150089850835052343
20871998 184 18058174010422733247
21040471 1 18410297990579403556
23235685 24 18412260653437458013
23402655 69 18195510525563472213
23463225 33 18336265647983306958
23552423 10 18260269693684099606
2748010 2 18265332815654252989
29004967 10 15647050473568140428
3248919 1 17132117926634413159
369184 2 18411416215353294855
5084963 1 17822579300201632516
53812653 166 18199747106113759312
7364860 26 18343302557420090822

>  <PUBCHEM_SHAPE_MULTIPOLES>
205.8
4.83
1.52
0.65
0.53
0
0
0
0.54
-0.48
0.05
-0.06
0
0

>  <PUBCHEM_SHAPE_SELFOVERLAP>
417.577

>  <PUBCHEM_SHAPE_VOLUME>
116.6

>  <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
