133425
  -OEChem-12292206203D

 35 39  0     0  0  0  0  0  0999 V2000
    0.6991    0.7842    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1424   -0.5613    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6861    1.0851    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2076   -1.6266    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6426    0.0163    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1969   -1.3360    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6632    1.8336    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -0.8319    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0421    2.4586   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0277    1.5368    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    3.1683   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4624    0.2180    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379   -2.9427   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0940    3.4802   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0448    0.2498    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0063   -2.1483   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1856   -2.3574    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1077   -3.2006   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4214    3.0417   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9841   -0.7794    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5528   -2.0884    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7721    2.3307    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9812    3.9775   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5328    0.0222   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0904   -3.8153   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3677    4.5324   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5434    1.1952    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0717   -2.3675   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9122   -3.4093    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4674   -4.2254   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9577    2.7953    0.9207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4148    4.1407   -0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9569    2.7925   -0.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0462   -0.5533    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2696   -2.9036    0.0001 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  7  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6 17  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 14  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 14  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 18  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 21  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
133425

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
24
10 -0.15
11 -0.15
12 -0.15
13 -0.15
14 -0.15
15 -0.15
16 -0.15
17 -0.15
18 -0.15
19 0.14
20 -0.15
21 -0.15
22 0.15
23 0.15
24 0.15
25 0.15
26 0.15
27 0.15
28 0.15
29 0.15
30 0.15
34 0.15
35 0.15
9 -0.14

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
5
6 1 2 3 4 5 6 rings
6 1 2 7 8 10 12 rings
6 1 3 7 9 11 14 rings
6 2 4 8 13 16 18 rings
6 5 6 15 17 20 21 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
0002093100000001

> <PUBCHEM_MMFF94_ENERGY>
98.5801

> <PUBCHEM_FEATURE_SELFOVERLAP>
25.521

> <PUBCHEM_SHAPE_FINGERPRINT>
10319926 262 17618757204299144474
10411042 1 18338517430580966279
10616163 171 18411140203685936486
10693767 8 18058730337357516062
10967382 1 18266458900165405350
1100329 8 17906169547054422760
11578080 2 17344314853549245553
116883 192 18268429031787192391
12553582 1 18410860932064521283
13140716 1 18194681707357063713
138480 1 18410855494656705228
14178342 30 18339067191132394528
14223421 5 18411698742670917562
14790565 3 18049174546188288421
15042514 8 17616815431370297211
15196674 1 18266459991081817286
15442244 35 18266458706929138178
16945 1 18410856546765463170
193761 8 18266741285680444516
19591789 44 17833554865630161351
19930381 70 18194117658272088771
20028762 73 17552643959865621175
20510252 161 16973917728619597920
20739085 24 17973748040502041545
20775438 99 17691352613808314487
20905425 154 18341618075003523006
21197605 99 18052556378832959033
21267235 1 18338807834736182359
21421861 104 18260265200863439539
23184049 29 18266458698502616950
2334 1 17906172102517629257
23558518 356 18261397680649584120
23559900 14 17261869954733334526
238 59 17615921859408485615
2748010 2 18049725418724360364
3091708 16 9212355480211148099
335352 9 18122624946690536287
34934 24 18411973689445330207
350125 39 18266465299677219456
352729 6 17762900961615262895
484985 159 15367765522531449922
484989 97 17974567997240988533
54173680 148 17978229357427460986
589210 1 18266741277101052940
5939293 188 18267864080542261960
6443956 14 18337110172014048709
7364860 26 18267022954073173259
9709674 26 17981884146905302206

> <PUBCHEM_SHAPE_MULTIPOLES>
432.17
5.47
4.64
0.62
1.79
1.44
0
-2.04
0
-0.35
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
1014.139

> <PUBCHEM_SHAPE_VOLUME>
198.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$