14315
  -OEChem-12282221543D

 24 25  0     0  0  0  0  0  0999 V2000
   -1.3043   -0.0678    0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0818   -0.2587    0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9188    0.8627   -0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2461   -1.2102    0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8569    1.2103    0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554   -1.5379    0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3453    2.1419   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3048    0.6719   -0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0339    2.3131   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7569   -1.8100   -0.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0344   -1.7091    0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8576   -0.6063   -0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8141   -1.9844    1.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1123   -0.8525    1.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9293    1.3630    0.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0650   -2.4371    0.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9695    3.0181   -0.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9674    1.5193   -0.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4647    3.3079   -0.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2769   -1.0606   -1.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4601   -2.6226   -0.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9373   -2.2176   -1.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4658   -2.7039    0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9311   -0.7403   -0.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  2  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
14315

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
2
1
3

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
16
1 -0.14
11 -0.15
12 -0.15
15 0.15
16 0.15
17 0.15
18 0.15
19 0.15
23 0.15
24 0.15
4 0.14
5 -0.15
6 -0.15
7 -0.15
8 -0.15
9 -0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

> <PUBCHEM_PHARMACOPHORE_FEATURES>
3
1 10 hydrophobe
6 1 2 3 5 7 9 rings
6 2 3 6 8 11 12 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
000037EB00000002

> <PUBCHEM_MMFF94_ENERGY>
34.349

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.249

> <PUBCHEM_SHAPE_FINGERPRINT>
10967382 1 18049443634451988664
11206711 2 18335145310006203164
12202030 40 16701751444819404302
12524768 44 18123477068059695967
14128692 85 18271811279872629911
16945 1 18122064208724490728
193761 8 18410013238574781665
20645476 183 16956794054540025526
20645477 70 17834102423207537687
20871998 184 18198347260339342295
21040471 1 17832707872589167752
21501502 16 18337392647612624568
2334 1 18409452509224453768
23388829 49 18268427008794045444
23419403 2 17253648115205275400
23552423 10 18260275118196067900
23559900 14 17693942896080450958
241688 4 18409730659754267209
2748010 2 18410293614134433356
5084963 1 18201727309269720738
6338986 31 18268127873112644079
81228 2 18336826386144628673

> <PUBCHEM_SHAPE_MULTIPOLES>
246.95
3.77
2.54
0.71
0.26
0.7
-0.03
-1.79
-0.35
-0.73
-0.16
-0.19
-0.12
-0.33

> <PUBCHEM_SHAPE_SELFOVERLAP>
534.803

> <PUBCHEM_SHAPE_VOLUME>
128.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$