A1I09
  CCTOOLS-0417260958

 77 79  0  0  1  0  0  0  0  0999 V2000
   -1.0980    2.0130    1.3350 C   0  0  0  0  0
    0.5760    2.5650   -0.2910 C   0  0  0  0  0
    3.0260    1.1290   -0.2820 C   0  0  0  0  0
   -0.8610   -0.4280    0.8610 C   0  0  0  0  0
   -3.7810    0.1070   -0.3020 C   0  0  0  0  0
   -5.8290   -2.4250   -0.2710 C   0  0  0  0  0
   -6.8810    0.7620   -1.6990 C   0  0  0  0  0
    6.4160   -0.3260   -0.3550 C   0  0  0  0  0
    8.4140   -1.8150   -0.2970 C   0  0  0  0  0
    8.1690   -4.1680    0.0950 C   0  0  0  0  0
    6.2200   -2.7740    0.0530 C   0  0  0  0  0
   -1.3550   -1.5860   -0.0080 C   0  0  0  0  0
   -7.9070   -5.6640   -0.1370 C   0  0  0  0  0
   -6.7140   -3.5190    0.3300 C   0  0  0  0  0
   -5.5220   -1.3210    0.7760 C   0  0  0  0  0
    8.9760   -3.0750   -0.1470 C   0  0  0  0  0
    6.7950   -4.0190    0.1890 C   0  0  0  0  0
   -0.1580    3.8500   -0.6820 C   0  0  0  0  0
   -1.6610    3.6590   -0.4550 C   0  0  0  0  0
   -1.9000    3.2760    1.0090 C   0  0  0  0  0
   -5.2620   -0.0760   -0.0980 C   0  0  0  0  0
   -6.5940   -1.6250   -1.3540 C   0  0  0  0  0
   -7.0210   -4.5700   -0.7380 C   0  0  0  0  0
    4.5490    1.1620   -0.4240 C   0  0  0  0  0
    7.0250   -1.6590   -0.1980 C   0  0  0  0  0
   -1.5930    0.8560    0.4660 C   0  0  0  0  0
   -3.0330    0.6780    0.6640 N   0  0  0  0  0
   -5.9220   -0.3090   -1.3970 N   0  0  0  0  0
    9.2060   -0.7400   -0.5340 O   0  0  0  0  0
    5.0790   -0.1800   -0.2580 O   0  0  0  0  0
    7.1180    0.6410   -0.5720 O   0  0  0  0  0
    0.3130    4.9330    0.1220 O   0  0  0  0  0
    0.2870    2.2490    1.0730 O   0  0  0  0  0
   -2.1450    2.6190   -1.3060 O   0  0  0  0  0
   -3.2910    3.0250    1.2160 O   0  0  0  0  0
   -3.2610   -0.2580   -1.3350 O   0  0  0  0  0
    2.3640    2.8050   -0.4890 S   0  0  0  0  0
   -1.1880   -0.7970    2.5960 CL  0  0  0  0  0
   -1.2300    1.7600    2.3870 H   0  0  0  0  0
    0.2460    1.7470   -0.9310 H   0  0  0  0  0
    2.6040    0.4750   -1.0450 H   0  0  0  0  0
    2.7610    0.7530    0.7060 H   0  0  0  0  0
    0.2110   -0.2950    0.7140 H   0  0  0  0  0
   -4.9090   -2.8480   -0.6740 H   0  0  0  0  0
   -6.3570    1.7180   -1.7390 H   0  0  0  0  0
   -7.3530    0.5660   -2.6620 H   0  0  0  0  0
   -7.6430    0.7980   -0.9210 H   0  0  0  0  0
    8.6110   -5.1480    0.2020 H   0  0  0  0  0
    5.1490   -2.6620    0.1260 H   0  0  0  0  0
   -2.4270   -1.7180    0.1390 H   0  0  0  0  0
   -1.1580   -1.3630   -1.0570 H   0  0  0  0  0
   -0.8340   -2.5000    0.2730 H   0  0  0  0  0
   -8.1250   -6.4130   -0.8970 H   0  0  0  0  0
   -7.3870   -6.1350    0.6980 H   0  0  0  0  0
   -8.8390   -5.2230    0.2180 H   0  0  0  0  0
   -6.1950   -3.9890    1.1650 H   0  0  0  0  0
   -7.6460   -3.0780    0.6850 H   0  0  0  0  0
   -6.3790   -1.1610    1.4300 H   0  0  0  0  0
   -4.6370   -1.5780    1.3580 H   0  0  0  0  0
   10.0470   -3.2000   -0.2190 H   0  0  0  0  0
    6.1720   -4.8820    0.3700 H   0  0  0  0  0
    0.0260    4.0680   -1.7340 H   0  0  0  0  0
   -2.1840    4.5890   -0.6790 H   0  0  0  0  0
   -1.5760    4.0910    1.6560 H   0  0  0  0  0
   -5.6830    0.8080    0.3810 H   0  0  0  0  0
   -6.5150   -2.1230   -2.3200 H   0  0  0  0  0
   -7.6400   -1.5080   -1.0710 H   0  0  0  0  0
   -6.0900   -5.0110   -1.0920 H   0  0  0  0  0
   -7.5410   -4.1000   -1.5720 H   0  0  0  0  0
    4.8140    1.5370   -1.4120 H   0  0  0  0  0
    4.9710    1.8160    0.3390 H   0  0  0  0  0
   -1.3950    1.0790   -0.5830 H   0  0  0  0  0
   -3.4490    0.9700    1.4900 H   0  0  0  0  0
    9.3610   -0.5650   -1.4720 H   0  0  0  0  0
    1.2590    5.1100    0.0270 H   0  0  0  0  0
   -2.0200    2.7920   -2.2490 H   0  0  0  0  0
   -3.8610    3.7830    1.0230 H   0  0  0  0  0
  1 26  1  0  0  0
  1 33  1  0  0  0
  1 39  1  0  0  0
  2 33  1  0  0  0
  2 37  1  0  0  0
  2 40  1  0  0  0
  3 37  1  0  0  0
  3 24  1  0  0  0
  3 41  1  0  0  0
  3 42  1  0  0  0
  4 12  1  0  0  0
  4 38  1  0  0  0
  4 43  1  0  0  0
  5 21  1  0  0  0
  5 27  1  0  0  0
  5 36  2  0  0  0
  6 22  1  0  0  0
  6 14  1  0  0  0
  6 44  1  0  0  0
  7 28  1  0  0  0
  7 45  1  0  0  0
  7 46  1  0  0  0
  7 47  1  0  0  0
  8 25  1  0  0  0
  9 16  1  0  0  0
  9 29  1  0  0  0
 10 17  1  0  0  0
 10 48  1  0  0  0
 11 49  1  0  0  0
 12 50  1  0  0  0
 12 51  1  0  0  0
 12 52  1  0  0  0
 13 53  1  0  0  0
 13 54  1  0  0  0
 13 55  1  0  0  0
 14 23  1  0  0  0
 14 56  1  0  0  0
 14 57  1  0  0  0
 15  6  1  0  0  0
 15 58  1  0  0  0
 15 59  1  0  0  0
 16 10  2  0  0  0
 16 60  1  0  0  0
 17 11  2  0  0  0
 17 61  1  0  0  0
 18 19  1  0  0  0
 18  2  1  0  0  0
 18 32  1  0  0  0
 18 62  1  0  0  0
 19 20  1  0  0  0
 19 34  1  0  0  0
 19 63  1  0  0  0
 20  1  1  0  0  0
 20 35  1  0  0  0
 20 64  1  0  0  0
 21 15  1  0  0  0
 21 28  1  0  0  0
 21 65  1  0  0  0
 22 28  1  0  0  0
 22 66  1  0  0  0
 22 67  1  0  0  0
 23 13  1  0  0  0
 23 68  1  0  0  0
 23 69  1  0  0  0
 24 70  1  0  0  0
 24 71  1  0  0  0
 25  9  2  0  0  0
 25 11  1  0  0  0
 26  4  1  0  0  0
 26 27  1  0  0  0
 26 72  1  0  0  0
 27 73  1  0  0  0
 29 74  1  0  0  0
 30 24  1  0  0  0
 30  8  1  0  0  0
 31  8  2  0  0  0
 32 75  1  0  0  0
 34 76  1  0  0  0
 35 77  1  0  0  0
M  END
$$$$
