A1JKJ
  CCTOOLS-0821261018

 52 56  0  0  1  0  0  0  0  0999 V2000
   -2.4090   -1.4000    2.1310 C   0  0  0  0  0
   -2.5300   -1.2430    0.6140 C   0  0  0  0  0
   -1.2250   -0.8730    0.0550 N   0  0  0  0  0
   -0.7780    0.5170    0.2440 C   0  0  0  0  0
   -1.7460    1.4270   -0.5110 C   0  0  0  0  0
   -3.1750    1.0610   -0.2060 C   0  0  0  0  0
   -4.1520    2.0160   -0.4580 C   0  0  0  0  0
   -5.4830    1.7410   -0.2110 C   0  0  0  0  0
   -6.6930    2.9440   -0.5300 CL  0  0  0  0  0
   -5.8490    0.5060    0.2910 C   0  0  0  0  0
   -4.8780   -0.4440    0.5460 C   0  0  0  0  0
   -5.3360   -1.9940    1.1790 CL  0  0  0  0  0
   -3.5390   -0.1670    0.3000 C   0  0  0  0  0
   -0.4650   -1.7700   -0.6040 C   0  0  0  0  0
   -0.8180   -2.9280   -0.6740 O   0  0  0  0  0
    0.8220   -1.3340   -1.2540 C   0  0  0  0  0
    1.8930   -1.1280   -0.1800 C   0  0  0  0  0
    3.1670   -0.7780   -0.8260 N   0  0  0  0  0
    3.5850   -1.8340   -1.7590 C   0  0  0  0  0
    2.4970   -2.0330   -2.8180 C   0  0  0  0  0
    1.2600   -2.3410   -2.1700 O   0  0  0  0  0
    4.1600   -0.5290    0.1270 C   0  0  0  0  0
    4.7890    0.7130    0.1880 C   0  0  0  0  0
    4.6880    1.8680   -0.5010 O   0  0  0  0  0
    5.5690    2.7440    0.0170 C   0  0  0  0  0
    5.7530    4.0330   -0.4280 N   0  0  0  0  0
    6.2250    2.1900    1.0050 N   0  0  0  0  0
    5.7810    0.9140    1.1630 C   0  0  0  0  0
    6.0970   -0.1320    2.0290 C   0  0  0  0  0
    5.4750   -1.2890    1.9320 N   0  0  0  0  0
    4.5330   -1.5110    1.0320 C   0  0  0  0  0
   -2.0790   -0.4580    2.5690 H   0  0  0  0  0
   -3.3780   -1.6740    2.5460 H   0  0  0  0  0
   -1.6820   -2.1800    2.3580 H   0  0  0  0  0
   -2.8580   -2.1860    0.1760 H   0  0  0  0  0
   -0.7880    0.7670    1.3050 H   0  0  0  0  0
    0.2290    0.6380   -0.1550 H   0  0  0  0  0
   -1.5710    2.4610   -0.2140 H   0  0  0  0  0
   -1.5710    1.3270   -1.5820 H   0  0  0  0  0
   -3.8680    2.9810   -0.8490 H   0  0  0  0  0
   -6.8880    0.2840    0.4830 H   0  0  0  0  0
    0.6600   -0.3990   -1.7910 H   0  0  0  0  0
    1.5900   -0.3220    0.4870 H   0  0  0  0  0
    2.0160   -2.0480    0.3920 H   0  0  0  0  0
    4.5160   -1.5420   -2.2450 H   0  0  0  0  0
    3.7350   -2.7650   -1.2120 H   0  0  0  0  0
    2.3850   -1.1180   -3.4000 H   0  0  0  0  0
    2.7770   -2.8530   -3.4780 H   0  0  0  0  0
    5.2260    4.3710   -1.1690 H   0  0  0  0  0
    6.4110    4.6040   -0.0010 H   0  0  0  0  0
    6.8570    0.0080    2.7830 H   0  0  0  0  0
    4.0530   -2.4780    0.9940 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 10  2  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 13  2  0  0  0
 13  2  1  0  0  0
 13  6  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 19 46  1  0  0  0
 20 21  1  0  0  0
 20 47  1  0  0  0
 20 48  1  0  0  0
 21 16  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 27  2  0  0  0
 26 49  1  0  0  0
 26 50  1  0  0  0
 27 28  1  0  0  0
 28 29  2  0  0  0
 28 23  1  0  0  0
 29 30  1  0  0  0
 29 51  1  0  0  0
 30 31  2  0  0  0
 31 22  1  0  0  0
 31 52  1  0  0  0
M  END
$$$$
