15304
  -OEChem-10091909173D

 30 32  0     0  0  0  0  0  0999 V2000
   -0.7199    0.0451   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7200    0.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4121   -1.1942   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -1.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5155    1.2183   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5152    1.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6954   -2.3935   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6956   -2.3935   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9121    1.1702   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9119    1.1704    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8171   -1.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8174   -1.2280    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5630   -0.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5631   -0.0533    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7020    2.4355    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7014    2.4359   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0497    2.2010    0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0494    2.2009    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138   -3.3505   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140   -3.3507   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3472   -2.1791    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3476   -2.1788    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6479   -0.1111    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480   -0.1106    0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2486    3.1773   -0.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7259    2.2708   -0.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7479    2.8491    1.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7304    2.2686   -0.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2567    3.1705   -0.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7330    2.8597    1.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  2  0  0  0  0
  5 17  1  0  0  0  0
  6 10  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
 10 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15304

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
20
10 -0.14
11 -0.15
12 -0.15
13 -0.15
14 -0.15
15 0.14
16 0.14
17 0.15
18 0.15
19 0.15
20 0.15
21 0.15
22 0.15
23 0.15
24 0.15
5 -0.15
6 -0.15
7 -0.15
8 -0.15
9 -0.14

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
3
6 1 2 3 4 7 8 rings
6 1 3 5 9 11 13 rings
6 2 4 6 10 12 14 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
00003BC800000001

> <PUBCHEM_MMFF94_ENERGY>
52.8229

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.272

> <PUBCHEM_SHAPE_FINGERPRINT>
10411042 1 16609416383182029103
10608611 8 18410854364911787141
10967382 1 18410573980867033350
11471102 20 18194679272210904909
12173636 292 18339077202199702765
12346645 44 18409447028782971464
12390115 104 18270421475653312209
12403260 363 18338784676245914702
13140716 1 18336546023332189736
13380535 76 18410572889935199907
13897977 150 18337669698783563413
14144814 61 18409448102450871080
14325111 11 18410575093258437664
14415576 193 18410295791698761244
15196674 1 18410856563934756869
15442244 35 18338232644442166850
15475509 8 16549486474700219271
15536298 74 18342458149337460190
15775835 57 18410579482709616005
16945 1 18410855460128655494
18186145 218 18201167571973020104
20510252 161 18270405017570132065
21267235 1 18410864260516573539
21501502 16 18410851066376793391
21524375 3 18410570690911846922
22094290 62 18337388245181514370
2334 1 18410856594004828680
23402539 116 18054220201111407423
23463225 33 18335417933261194114
23558518 356 18260833755749447883
23559900 14 18272932679513595910
238 59 17468436401937386853
25 1 18337671888895202447
2748010 2 18410017636573449871
3071541 12 18267587901075838326
3091708 16 9121475320842828987
335352 9 18194401078657877886
350125 39 18409736165886314681
474 4 18339081467440162385
5104073 3 18409167705505723281
58051976 378 18340484598642702780
5939293 188 18050281471023692274
6333272 397 18408885169656213417
633830 44 18272090452831441861
69090 78 18341046401892583863
7364860 26 18196935461418259382
84936 182 18201432545722771056
9709674 26 18412831308478280230

> <PUBCHEM_SHAPE_MULTIPOLES>
329.27
6.63
2.8
0.62
0
0.07
0
4.02
0
0
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
736.341

> <PUBCHEM_SHAPE_VOLUME>
164.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$