11384163
  -OEChem-04192419513D

 52 62  0     0  0  0  0  0  0999 V2000
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    3.6148    1.0110    0.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144   -1.0111   -0.8508 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6254    1.1512    0.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7020   -0.0626   -0.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5348   -0.0641   -0.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6216   -1.1511   -0.6687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5370    0.0662    0.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5349    0.0637   -0.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6216    1.1509   -0.6692 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7044   -0.0602    0.7642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6256   -1.1508    0.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7021    0.0623   -0.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6573    2.1020   -1.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6581   -2.1015    1.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6578   -2.1028   -1.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7086   -3.0420    1.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7086    3.0424    1.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7081   -3.0432   -1.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5429    3.0910   -1.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -3.0906    1.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5427    3.0905    1.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5424   -3.0909   -1.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5600    3.1158   -0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5595    3.1155    0.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5602   -3.1157    0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5593   -3.1157   -0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5936    0.1220    1.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6309    2.0770    1.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5898   -0.1255   -1.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8251   -3.8264   -2.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
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  2  9  1  0  0  0  0
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  2 18  1  0  0  0  0
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  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 19  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 33  1  0  0  0  0
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 31 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11384163

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
24
1 0.12
17 -0.27
18 -0.27
19 -0.27
2 0.12
20 -0.27
21 -0.09
22 -0.09
23 -0.09
24 -0.09
25 -0.06
26 -0.06
27 -0.06
28 -0.06
3 0.12
4 0.12
45 0.15
46 0.15
47 0.15
48 0.15
49 0.15
50 0.15
51 0.15
52 0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

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

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
4

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
00ADB56300000001

> <PUBCHEM_MMFF94_ENERGY>
155.3693

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.149

> <PUBCHEM_SHAPE_FINGERPRINT>
10675989 125 17397811389561398085
10815517 723 15237507260130918467
10974685 15 17830738647875874732
11828532 37 17533218807039803283
12100795 323 17981040035539067416
12786520 15 17414470245010260767
13122387 1 16032674116339237077
13402501 40 18410573989446418433
1361 2 18128521855632250999
13726171 33 18261127265663028004
14279260 333 17476369296992007118
14725015 67 18261944168426026027
15351339 4 17541099766499891146
16067689 391 17411919275498587966
16067690 210 17313395572615644581
17921350 177 18337943584785372394
19309040 13 14975780083595721970
19311894 1 16397480018800516887
19315092 285 14975113547410234308
20764821 26 18052813938349563894
23536364 44 17695089707649924998
238918 7 18340753880550157722
3298306 158 18263912277086080495
354706 35 18120069909238081309
463206 1 17549824387371668312
469060 322 18125154098682535207
50677037 204 15889393101345214728
5081480 168 17200273380171345918
508706 21 18260833670161442407

> <PUBCHEM_SHAPE_MULTIPOLES>
658.54
10.39
5.03
1.93
0
0
0
0
0
0
0
0
0
4.41

> <PUBCHEM_SHAPE_SELFOVERLAP>
1583.599

> <PUBCHEM_SHAPE_VOLUME>
332.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$