NOF
  CCTOOLS-0828261229

 91100  0  0  1  0  0  0  0  0999 V2000
   -2.0370   -1.7310   -0.4760 N   0  0  0  0  0
    7.1490   -1.4090   -1.6410 N   0  0  0  0  0
   -0.4230    0.7780    3.7100 C   0  0  0  0  0
   -2.7090   -0.3750    3.5790 C   0  0  0  0  0
   -3.4770    0.8210    4.0730 C   0  0  0  0  0
   -3.2280   -1.6510    3.2290 C   0  0  0  0  0
   -4.6470   -2.1450    3.2760 C   0  0  0  0  0
   -2.3010   -3.9120    2.4160 C   0  0  0  0  0
   -2.5670    1.6580   -1.6580 C   0  0  0  0  0
   -1.5570    1.8000   -2.5810 C   0  0  0  0  0
   -0.0130   -1.6140   -2.4120 C   0  0  0  0  0
    1.1980    1.9170   -4.1110 C   0  0  0  0  0
    2.5740    1.5270   -4.6220 C   0  0  0  0  0
    3.6990    1.7070   -3.5910 C   0  0  0  0  0
    5.0150    0.8210   -1.5300 C   0  0  0  0  0
    6.3210   -1.3430   -0.4540 C   0  0  0  0  0
    7.3750   -1.0420    0.6490 C   0  0  0  0  0
   -0.9520   -1.7080    2.9350 C   0  0  0  0  0
    0.4370   -2.1860    2.6070 C   0  0  0  0  0
   -1.3060   -0.4020    3.3900 C   0  0  0  0  0
   -2.1520   -2.4720    2.8320 C   0  5  0  0  0
   -2.7250    0.4920   -0.9470 C   0  0  0  0  0
   -1.8680   -0.6120   -1.2300 C   0  0  0  0  0
   -2.2780   -0.7860    1.4740 IR  0  0  0  0  0
   -0.8450   -0.4910   -2.1970 C   0  0  0  0  0
   -0.7310    0.7550   -2.9210 C   0  0  0  0  0
   -1.2690   -2.7600   -0.7480 C   0  0  0  0  0
   -0.2320   -2.7460   -1.6900 C   0  0  0  0  0
    0.3590    0.8760   -3.8330 N   0  0  0  0  0
    0.8790    3.1030   -3.9820 O   0  0  0  0  0
    3.8750    0.5980   -2.5350 C   0  0  0  0  0
    5.1790   -0.2340   -0.4060 C   0  0  0  0  0
    5.4010    0.5980    1.2030 S   0  0  0  0  0
    7.1660    0.3730    1.1840 C   0  0  0  0  0
    8.6270   -1.2000   -0.0570 N   0  0  0  0  0
    8.4700   -1.3680   -1.3820 C   0  0  0  0  0
    9.3810   -1.4670   -2.2180 O   0  0  0  0  0
   -3.6470    0.1400    0.0470 N   0  5  0  0  0
   -4.7520    0.8430    0.5160 C   0  0  0  0  0
   -4.8670    2.0480    0.4730 O   0  0  0  0  0
   -5.7160   -0.0430    0.8750 O   0  0  0  0  0
   -7.1160    0.2800    1.2850 C   0  0  0  0  0
   -7.0900    1.0280    2.6180 C   0  0  0  0  0
   -7.8510    1.0730    0.2010 C   0  0  0  0  0
   -7.7500   -1.1000    1.4390 C   0  0  0  0  0
   -0.5130    0.7270    0.7970 CL  0  5  0  0  0
    6.8450   -1.4780   -2.4460 H   0  0  0  0  0
    0.4780    0.6280    3.3810 H   0  0  0  0  0
   -0.3860    0.8980    4.6720 H   0  0  0  0  0
   -0.7790    1.5870    3.3090 H   0  0  0  0  0
   -3.0540    1.1820    4.8690 H   0  0  0  0  0
   -4.3870    0.5710    4.2930 H   0  0  0  0  0
   -3.4930    1.5040    3.3820 H   0  0  0  0  0
   -4.8990   -2.5090    2.4120 H   0  0  0  0  0
   -5.2490   -1.4190    3.4960 H   0  0  0  0  0
   -4.7280   -2.8370    3.9530 H   0  0  0  0  0
   -1.4510   -4.2630    2.1090 H   0  0  0  0  0
   -2.9450   -3.9810    1.6920 H   0  0  0  0  0
   -2.6070   -4.4400    3.1720 H   0  0  0  0  0
   -3.1280    2.3940   -1.4820 H   0  0  0  0  0
   -1.4900    2.6220   -3.0570 H   0  0  0  0  0
    0.6630   -1.5920   -3.0630 H   0  0  0  0  0
    2.7810    2.0780   -5.4070 H   0  0  0  0  0
    2.5600    0.5900   -4.9180 H   0  0  0  0  0
    3.5490    2.5550   -3.1180 H   0  0  0  0  0
    4.5480    1.7990   -4.0770 H   0  0  0  0  0
    4.8770    1.6960   -1.1090 H   0  0  0  0  0
    5.8550    0.8780   -2.0300 H   0  0  0  0  0
    5.9210   -2.2300   -0.2950 H   0  0  0  0  0
    7.3120   -1.7020    1.3810 H   0  0  0  0  0
    0.5410   -3.1110    2.8830 H   0  0  0  0  0
    1.0950   -1.6460    3.0710 H   0  0  0  0  0
    0.5850   -2.1190    1.6490 H   0  0  0  0  0
   -1.3900   -3.5400   -0.2490 H   0  0  0  0  0
    0.3060   -3.5070   -1.8170 H   0  0  0  0  0
    0.4180    0.2030   -4.3950 H   0  0  0  0  0
    4.0270   -0.2520   -3.0020 H   0  0  0  0  0
    3.0300    0.5080   -2.0410 H   0  0  0  0  0
    4.3130   -0.7300   -0.3460 H   0  0  0  0  0
    7.6000    1.0380    0.5920 H   0  0  0  0  0
    7.5420    0.4610    2.0950 H   0  0  0  0  0
    9.4050   -1.1910    0.3170 H   0  0  0  0  0
   -7.9990    1.1820    2.9320 H   0  0  0  0  0
   -6.6430    1.8850    2.5040 H   0  0  0  0  0
   -6.6040    0.5060    3.2800 H   0  0  0  0  0
   -7.7980    0.5990   -0.6470 H   0  0  0  0  0
   -7.4460    1.9500    0.0990 H   0  0  0  0  0
   -8.7880    1.1840    0.4480 H   0  0  0  0  0
   -8.6980   -1.0110    1.6480 H   0  0  0  0  0
   -7.3170   -1.5860    2.1570 H   0  0  0  0  0
   -7.6480   -1.6030    0.6120 H   0  0  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 27  2  0  0  0
  2 16  1  0  0  0
  2 36  1  0  0  0
  2 47  1  0  0  0
  3 20  1  0  0  0
  3 48  1  0  0  0
  3 49  1  0  0  0
  3 50  1  0  0  0
  4  5  1  0  0  0
  4  6  2  0  0  0
  4 20  1  0  0  0
  4 24  1  0  0  0
  5 51  1  0  0  0
  5 52  1  0  0  0
  5 53  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  6 24  1  0  0  0
  7 54  1  0  0  0
  7 55  1  0  0  0
  7 56  1  0  0  0
  8 21  1  0  0  0
  8 57  1  0  0  0
  8 58  1  0  0  0
  8 59  1  0  0  0
  9 10  1  0  0  0
  9 22  2  0  0  0
  9 60  1  0  0  0
 10 26  2  0  0  0
 10 61  1  0  0  0
 11 25  1  0  0  0
 11 28  2  0  0  0
 11 62  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 12 30  2  0  0  0
 13 14  1  0  0  0
 13 63  1  0  0  0
 13 64  1  0  0  0
 14 31  1  0  0  0
 14 65  1  0  0  0
 14 66  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
 15 67  1  0  0  0
 15 68  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 16 69  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 17 70  1  0  0  0
 18 19  1  0  0  0
 18 20  2  0  0  0
 18 21  1  0  0  0
 18 24  1  0  0  0
 19 71  1  0  0  0
 19 72  1  0  0  0
 19 73  1  0  0  0
 20 24  1  0  0  0
 21 24  1  0  0  0
 22 23  1  0  0  0
 22 38  1  0  0  0
 23 25  2  0  0  0
 24 38  1  0  0  0
 24 46  1  0  0  0
 25 26  1  0  0  0
 26 29  1  0  0  0
 27 28  1  0  0  0
 27 74  1  0  0  0
 28 75  1  0  0  0
 29 76  1  0  0  0
 31 77  1  0  0  0
 31 78  1  0  0  0
 32 33  1  0  0  0
 32 79  1  0  0  0
 33 34  1  0  0  0
 34 80  1  0  0  0
 34 81  1  0  0  0
 35 36  1  0  0  0
 35 82  1  0  0  0
 36 37  2  0  0  0
 38 39  1  0  0  0
 39 40  2  0  0  0
 39 41  1  0  0  0
 41 42  1  0  0  0
 42 43  1  0  0  0
 42 44  1  0  0  0
 42 45  1  0  0  0
 43 83  1  0  0  0
 43 84  1  0  0  0
 43 85  1  0  0  0
 44 86  1  0  0  0
 44 87  1  0  0  0
 44 88  1  0  0  0
 45 89  1  0  0  0
 45 90  1  0  0  0
 45 91  1  0  0  0
M  CHG  1  21  -1
M  CHG  1  38  -1
M  CHG  1  46  -1
M  END
$$$$
