R0I
  CCTOOLS-0807261403

 60 66  0  0  0  0  0  0  0  0999 V2000
   -0.2090    1.5780    0.9760 C   0  0  0  0  0
    0.4850   -1.4240    0.4280 C   0  6  0  0  0
    0.2370   -1.7410   -1.7860 C   0  0  0  0  0
    3.3700    1.4840    1.6270 C   0  0  0  0  0
    3.8570    2.3960    0.6410 C   0  0  0  0  0
    2.9880    3.0210   -0.2050 C   0  0  0  0  0
    0.6530    3.4430   -0.9360 C   0  0  0  0  0
   -0.6590    3.1940   -0.8100 C   0  0  0  0  0
   -2.9190    1.2350    1.3850 C   0  0  0  0  0
   -0.8430   -2.3260   -1.1900 C   0  0  0  0  0
   -2.4530    0.1380    3.6140 C   0  0  0  0  0
   -1.9560    0.7090    2.2990 C   0  0  0  0  0
   -2.5030    1.9820    0.3230 C   0  0  0  0  0
   -0.6280    0.6860    1.9650 N   0  5  0  0  0
   -1.1350    2.2540    0.1580 C   0  0  0  0  0
    1.1520    1.8690    0.8730 C   0  0  0  0  0
    1.6060    2.7850   -0.0940 C   0  0  0  0  0
    2.0480    1.1780    1.6940 N   0  5  0  0  0
    4.3490    0.8290    2.5750 C   0  0  0  0  0
    1.0190   -0.4040    2.3640 PT  0  0  0  0  0
    2.1510   -2.2170    2.0300 C   0  5  0  0  0
   -0.6870   -2.1430    0.1580 N   0  0  0  0  0
    1.0450   -1.2200   -0.8490 N   0  0  0  0  0
   -1.5990   -2.6130    1.2010 C   0  0  0  0  0
    2.2950   -0.5350   -1.1890 C   0  0  0  0  0
    1.7450   -0.8870    4.2300 C   0  0  0  0  0
    0.6330   -1.6380    3.9620 C   0  0  0  0  0
   -1.8870   -2.9670   -1.9860 C   0  0  0  0  0
   -1.9580   -3.0500   -3.3730 C   0  0  0  0  0
   -3.0040   -3.6090   -1.5610 N   0  0  0  0  0
   -3.7220   -4.0620   -2.6040 N   0  0  0  0  0
   -3.0720   -3.7140   -3.7310 N   0  0  0  0  0
    0.4140   -1.7020   -2.7090 H   0  0  0  0  0
    4.7830    2.5650    0.5740 H   0  0  0  0  0
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    0.9510    4.0590   -1.5770 H   0  0  0  0  0
   -1.2720    3.6370   -1.3650 H   0  0  0  0  0
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   -2.4870   -0.8290    3.5600 H   0  0  0  0  0
   -3.3430    0.4780    3.8090 H   0  0  0  0  0
   -1.8490    0.3990    4.3280 H   0  0  0  0  0
   -3.1290    2.3110   -0.2960 H   0  0  0  0  0
    3.9960    0.8600    3.4780 H   0  0  0  0  0
    5.2010    1.2970    2.5510 H   0  0  0  0  0
    4.4840   -0.0970    2.3140 H   0  0  0  0  0
    1.5820   -2.9690    1.9600 H   0  0  0  0  0
    2.7880   -2.4110    2.7000 H   0  0  0  0  0
    2.6540   -2.1570    1.2350 H   0  0  0  0  0
   -2.4990   -2.3240    0.9880 H   0  0  0  0  0
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   -1.5740   -3.5810    1.2290 H   0  0  0  0  0
    2.7610   -1.0420   -1.8710 H   0  0  0  0  0
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   -1.3260   -2.6960   -3.9770 H   0  0  0  0  0
   -3.2870   -3.7510   -0.7350 H   0  0  0  0  0
    1.7860    0.0410    3.9310 H   0  0  0  0  0
    0.5460   -2.5610    4.2790 H   0  0  0  0  0
    2.4980   -1.2590    4.7340 H   0  0  0  0  0
   -0.0690   -1.2440    3.4440 H   0  0  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  2  0  0  0
  2 20  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3 10  2  0  0  0
  3 23  1  0  0  0
  3 33  1  0  0  0
  4  5  2  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6 17  2  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7 17  1  0  0  0
  7 36  1  0  0  0
  8 15  1  0  0  0
  8 37  1  0  0  0
  9 12  2  0  0  0
  9 13  1  0  0  0
  9 38  1  0  0  0
 10 22  1  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
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 14 20  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 18 20  1  0  0  0
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 19 44  1  0  0  0
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 20 26  1  0  0  0
 20 27  1  0  0  0
 20 21  1  0  0  0
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 26 27  2  0  0  0
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 30 31  1  0  0  0
 30 56  1  0  0  0
 31 32  2  0  0  0
 59 26  1  0  0  0
 60 27  1  0  0  0
M  CHG  1   2  -2
M  CHG  1  14  -1
M  CHG  1  18  -1
M  CHG  1  21  -1
M  END
$$$$
