3ZZ
  CCTOOLS-0807261401

 75 82  0  0  1  0  0  0  0  0999 V2000
    2.6450    0.6590    0.1470 C   0  0  0  0  0
    2.4090   -0.7040    0.4050 C   0  0  0  0  0
    3.3430   -1.6840    0.6890 C   0  0  0  0  0
    4.8340   -1.4780    0.7920 C   0  0  0  0  0
    5.3080   -0.9520    2.1440 C   0  0  0  0  0
    5.2730   -1.9690    3.2810 C   0  0  0  0  0
    6.2130   -2.7880    3.3630 O   0  0  0  0  0
    4.3060   -1.9330    4.0720 O   0  5  0  0  0
    2.6610   -2.8580    0.8650 C   0  0  0  0  0
    3.2760   -4.1940    1.2010 C   0  0  0  0  0
    1.3230   -2.5840    0.6870 C   0  0  0  0  0
    1.1750   -1.2650    0.4030 N   0  0  0  0  0
    0.2340   -3.4740    0.7700 C   0  0  0  0  0
   -1.1490   -3.2790    0.5830 C   0  0  0  0  0
   -2.1580   -4.2360    0.6770 C   0  0  0  0  0
   -1.9950   -5.6940    1.0180 C   0  0  0  0  0
   -3.3960   -3.5930    0.4300 C   0  0  0  0  0
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   -3.0740   -2.2600    0.1640 C   0  0  0  0  0
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   -3.7080    0.1900   -0.3950 C   0  0  0  0  0
   -4.6630    1.1750   -0.6470 C   0  0  0  0  0
   -6.1520    0.9790   -0.7640 C   0  0  0  0  0
   -3.9850    2.4120   -0.8210 C   0  0  0  0  0
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   -0.1300    2.7640   -0.5160 C   0  0  0  0  0
    0.8850    3.6880   -0.6250 C   0  0  0  0  0
    0.7420    5.1560   -0.9380 C   0  0  0  0  0
    2.0620    3.0340   -0.3850 C   0  0  0  0  0
    3.4440    3.6380   -0.3940 C   0  0  0  0  0
    4.1580    3.5410   -1.7390 C   0  0  0  0  0
    5.4100    4.4050   -1.8570 C   0  0  0  0  0
    5.2660    5.6030   -2.1810 O   0  5  0  0  0
    6.5140    3.8710   -1.6220 O   0  0  0  0  0
    1.7530    1.7090   -0.1410 C   0  0  0  0  0
    0.4070    1.5520   -0.2250 N   0  5  0  0  0
   -0.6470   -0.2570    0.0160 IN  0  1  0  0  0
    3.5560    0.9110    0.1700 H   0  0  0  0  0
    5.1190   -0.8450    0.0960 H   0  0  0  0  0
    5.3030   -2.3170    0.6000 H   0  0  0  0  0
    6.2320   -0.6240    2.0480 H   0  0  0  0  0
    4.7470   -0.1820    2.3970 H   0  0  0  0  0
    6.5540   -0.4580    0.6850 H   0  0  0  0  0
    4.1100   -4.3080    0.7190 H   0  0  0  0  0
    2.6760   -4.9130    0.9490 H   0  0  0  0  0
    3.4490   -4.2410    2.1560 H   0  0  0  0  0
    0.4730   -4.3600    0.9950 H   0  0  0  0  0
   -2.7540   -6.0000    1.5390 H   0  0  0  0  0
   -1.1890   -5.8280    1.5400 H   0  0  0  0  0
   -1.9370   -6.2140    0.2000 H   0  0  0  0  0
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   -6.6510   -4.5320    0.4110 H   0  0  0  0  0
   -6.1500   -2.9960    0.6370 H   0  0  0  0  0
   -4.8260   -1.4620   -0.3270 H   0  0  0  0  0
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    1.5220    5.4720   -1.4210 H   0  0  0  0  0
    0.6520    5.6570   -0.1120 H   0  0  0  0  0
    3.9980    3.1960    0.2860 H   0  0  0  0  0
    3.3950    4.5830   -0.1320 H   0  0  0  0  0
    3.5290    3.8020   -2.4510 H   0  0  0  0  0
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  1 41  2  0  0  0
  1 44  1  0  0  0
  2  1  1  0  0  0
  3  2  1  0  0  0
  4  3  1  0  0  0
  4  5  1  0  0  0
  4 45  1  0  0  0
  4 46  1  0  0  0
  5 47  1  0  0  0
  5 48  1  0  0  0
  6  8  1  0  0  0
  6  5  1  0  0  0
  7  6  2  0  0  0
  8 49  1  0  0  0
  9 11  1  0  0  0
  9  3  2  0  0  0
 10  9  1  0  0  0
 10 50  1  0  0  0
 10 51  1  0  0  0
 10 52  1  0  0  0
 11 12  1  0  0  0
 12  2  2  0  0  0
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 13 14  1  0  0  0
 13 11  2  0  0  0
 13 53  1  0  0  0
 14 21  1  0  0  0
 15 14  2  0  0  0
 15 17  1  0  0  0
 16 15  1  0  0  0
 16 54  1  0  0  0
 16 55  1  0  0  0
 16 56  1  0  0  0
 17 18  1  0  0  0
 17 20  2  0  0  0
 18 57  1  0  0  0
 19 18  2  0  0  0
 19 58  1  0  0  0
 19 59  1  0  0  0
 20 22  1  0  0  0
 21 20  1  0  0  0
 21 43  1  0  0  0
 22 23  2  0  0  0
 22 60  1  0  0  0
 23 30  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 24 26  2  0  0  0
 25 61  1  0  0  0
 25 62  1  0  0  0
 25 63  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 64  1  0  0  0
 28 65  1  0  0  0
 28 66  1  0  0  0
 29 26  1  0  0  0
 29 31  1  0  0  0
 30 29  2  0  0  0
 31 67  1  0  0  0
 32 31  2  0  0  0
 32 33  1  0  0  0
 33 34  1  0  0  0
 34 68  1  0  0  0
 34 69  1  0  0  0
 34 70  1  0  0  0
 35 36  1  0  0  0
 35 33  2  0  0  0
 36 37  1  0  0  0
 36 71  1  0  0  0
 36 72  1  0  0  0
 37 38  1  0  0  0
 37 73  1  0  0  0
 37 74  1  0  0  0
 38 39  1  0  0  0
 39 75  1  0  0  0
 40 38  2  0  0  0
 41 42  1  0  0  0
 41 35  1  0  0  0
 42 32  1  0  0  0
 43 42  1  0  0  0
 43 30  1  0  0  0
M  CHG  1   8  -1
M  CHG  1  21  -1
M  CHG  1  39  -1
M  CHG  1  42  -1
M  CHG  1  43   3
M  END
$$$$
