A1JIG
  CCTOOLS-0710261011

 46 48  0  0  1  0  0  0  0  0999 V2000
   -0.9540   -2.1290    1.6580 N   0  0  0  0  0
    1.2200   -1.3170    0.8730 C   0  0  0  0  0
   -2.3360   -0.8120    0.6920 C   0  0  0  0  0
   -3.6030   -0.1710    0.2590 C   0  0  0  0  0
   -4.8250   -0.6550    0.7230 C   0  0  0  0  0
   -6.0030   -0.0550    0.3190 C   0  0  0  0  0
   -4.7550    1.5100   -1.0130 C   0  0  0  0  0
    3.1800   -2.0450   -0.4900 C   0  0  0  0  0
    1.6560   -2.1130   -0.3610 C   0  0  0  0  0
   -7.1230    1.6090   -0.9440 F   0  0  0  0  0
   -5.9700    1.0260   -0.5490 C   0  0  0  0  0
   -7.1870   -0.5240    0.7680 F   0  0  0  0  0
   -4.7280    2.5640   -1.8580 F   0  0  0  0  0
   -3.5740    0.9190   -0.6070 C   0  0  0  0  0
   -2.2050   -1.8620    1.5230 N   0  0  0  0  0
   -1.0710   -0.4550    0.3270 C   0  0  0  0  0
   -0.2420   -1.3140    0.9620 N   0  0  0  0  0
    1.7290    0.1220    0.7470 C   0  0  0  0  0
    1.3890    0.8540    1.9260 O   0  0  0  0  0
    1.0530   -1.5530   -1.5290 O   0  0  0  0  0
    3.6190   -2.7880   -1.7540 C   0  0  0  0  0
    5.0460   -2.8240   -1.8140 O   0  0  0  0  0
    3.5890   -0.6760   -0.5730 O   0  0  0  0  0
    3.2500    0.1040    0.5750 C   0  0  0  0  0
    3.8540    1.8000    0.3530 S   0  0  0  0  0
    5.6550    1.5910    0.3220 C   0  0  0  0  0
    6.3240    2.9550    0.1380 C   0  0  0  0  0
    7.7430    2.7910    0.1140 O   0  0  0  0  0
    1.6390   -1.7750    1.7690 H   0  0  0  0  0
   -4.8510   -1.4970    1.3990 H   0  0  0  0  0
    3.6400   -2.5090    0.3820 H   0  0  0  0  0
    1.3460   -3.1530   -0.2520 H   0  0  0  0  0
   -2.6280    1.2990   -0.9650 H   0  0  0  0  0
   -0.7880    0.3510   -0.3340 H   0  0  0  0  0
    1.2700    0.5960   -0.1210 H   0  0  0  0  0
    1.6810    1.7750    1.9150 H   0  0  0  0  0
    1.2890   -2.0060   -2.3500 H   0  0  0  0  0
    3.2300   -3.8060   -1.7310 H   0  0  0  0  0
    3.2320   -2.2710   -2.6320 H   0  0  0  0  0
    5.3960   -3.2810   -2.5910 H   0  0  0  0  0
    3.7110   -0.3330    1.4610 H   0  0  0  0  0
    5.9860    1.1480    1.2620 H   0  0  0  0  0
    5.9310    0.9370   -0.5050 H   0  0  0  0  0
    5.9930    3.3980   -0.8010 H   0  0  0  0  0
    6.0480    3.6090    0.9650 H   0  0  0  0  0
    8.2330    3.6160   -0.0000 H   0  0  0  0  0
  1 15  2  0  0  0
  2 17  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 14  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6 11  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9  2  1  0  0  0
  9 32  1  0  0  0
 11 10  1  0  0  0
 12  6  1  0  0  0
 13  7  1  0  0  0
 14  7  2  0  0  0
 14 33  1  0  0  0
 15  3  1  0  0  0
 16  3  2  0  0  0
 16 34  1  0  0  0
 17  1  1  0  0  0
 17 16  1  0  0  0
 18  2  1  0  0  0
 18 35  1  0  0  0
 19 18  1  0  0  0
 19 36  1  0  0  0
 20  9  1  0  0  0
 20 37  1  0  0  0
 21  8  1  0  0  0
 21 38  1  0  0  0
 21 39  1  0  0  0
 22 21  1  0  0  0
 22 40  1  0  0  0
 23  8  1  0  0  0
 24 18  1  0  0  0
 24 23  1  0  0  0
 24 41  1  0  0  0
 25 24  1  0  0  0
 26 25  1  0  0  0
 26 42  1  0  0  0
 26 43  1  0  0  0
 27 26  1  0  0  0
 27 44  1  0  0  0
 27 45  1  0  0  0
 28 27  1  0  0  0
 28 46  1  0  0  0
M  END
$$$$
