A1JJI
  CCTOOLS-0605261016

 49 51  0  0  0  0  0  0  0  0999 V2000
    0.9550    1.5810   -0.2000 C   0  0  0  0  0
    4.5560    3.7240   -0.5220 C   0  0  0  0  0
    1.1880    2.7240    0.5820 C   0  0  0  0  0
    1.1920   -1.7870   -1.8530 C   0  0  0  0  0
    2.3810   -2.4670   -2.0810 C   0  0  0  0  0
    1.9240   -1.3630    0.4470 C   0  0  0  0  0
   -7.6310    1.5160    0.5650 C   0  0  0  0  0
   -6.6890    0.3820    0.2560 C   0  0  0  0  0
   -4.4430   -0.5000   -0.0870 C   0  0  0  0  0
   -3.0030    0.0160   -0.0760 C   0  0  0  0  0
   -0.3310   -0.4930   -0.3690 C   0  0  0  0  0
   -0.3030    0.8320   -0.0870 C   0  0  0  0  0
    1.9570    1.1790   -1.0970 C   0  0  0  0  0
    3.1210    1.9110   -1.1690 C   0  0  0  0  0
    2.3830    3.3950    0.4430 C   0  0  0  0  0
    0.9280   -1.2220   -0.6120 C   0  0  0  0  0
    3.3260   -2.6060   -1.1110 C   0  0  0  0  0
    3.1250   -2.0600    0.1680 C   0  0  0  0  0
    1.7220   -0.8170    1.7200 C   0  0  0  0  0
    2.6820   -0.9610    2.6760 C   0  0  0  0  0
    3.8540   -1.6670    2.4120 C   0  0  0  0  0
    4.0890   -2.2010    1.1820 C   0  0  0  0  0
   -5.3600    0.6030    0.2120 N   0  0  0  0  0
    3.3000    2.9770   -0.4100 N   0  3  0  0  0
   -7.1260   -0.7300    0.0480 O   0  0  0  0  0
   -1.8700   -1.3460   -0.4460 S   0  0  0  0  0
    5.2820    3.3220    0.1840 H   0  0  0  0  0
    4.9450    3.6300   -1.5360 H   0  0  0  0  0
    4.3740    4.7750   -0.2990 H   0  0  0  0  0
    0.4420    3.0720    1.2810 H   0  0  0  0  0
    0.4680   -1.6930   -2.6490 H   0  0  0  0  0
    2.5610   -2.8970   -3.0550 H   0  0  0  0  0
   -7.5190    2.2960   -0.1880 H   0  0  0  0  0
   -8.6580    1.1480    0.5560 H   0  0  0  0  0
   -7.4000    1.9240    1.5480 H   0  0  0  0  0
   -4.6750   -0.9080   -1.0710 H   0  0  0  0  0
   -4.5550   -1.2810    0.6650 H   0  0  0  0  0
   -2.8910    0.7970   -0.8280 H   0  0  0  0  0
   -2.7710    0.4240    0.9080 H   0  0  0  0  0
   -1.2070    1.3380    0.2210 H   0  0  0  0  0
    1.8180    0.3080   -1.7200 H   0  0  0  0  0
    3.8980    1.6100   -1.8560 H   0  0  0  0  0
    2.5720    4.2750    1.0390 H   0  0  0  0  0
    4.2380   -3.1420   -1.3270 H   0  0  0  0  0
    0.8090   -0.2830    1.9430 H   0  0  0  0  0
    2.5250   -0.5390    3.6580 H   0  0  0  0  0
    4.6000   -1.7670    3.1870 H   0  0  0  0  0
    5.0100   -2.7290    0.9860 H   0  0  0  0  0
   -5.0100    1.4920    0.3790 H   0  0  0  0  0
  1 12  1  0  0  0
  1  3  1  0  0  0
  2 24  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3 15  2  0  0  0
  3 30  1  0  0  0
  4 16  2  0  0  0
  4 31  1  0  0  0
  5  4  1  0  0  0
  5 32  1  0  0  0
  6 18  2  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  7  1  0  0  0
  9 23  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10  9  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 26  1  0  0  0
 12 11  2  0  0  0
 12 40  1  0  0  0
 13  1  2  0  0  0
 13 41  1  0  0  0
 14 13  1  0  0  0
 14 42  1  0  0  0
 15 24  1  0  0  0
 15 43  1  0  0  0
 16 11  1  0  0  0
 16  6  1  0  0  0
 17  5  2  0  0  0
 17 44  1  0  0  0
 18 17  1  0  0  0
 18 22  1  0  0  0
 19  6  1  0  0  0
 19 45  1  0  0  0
 20 19  2  0  0  0
 20 46  1  0  0  0
 21 20  1  0  0  0
 21 47  1  0  0  0
 22 21  2  0  0  0
 22 48  1  0  0  0
 23  8  1  0  0  0
 23 49  1  0  0  0
 24 14  2  0  0  0
 25  8  2  0  0  0
 26 10  1  0  0  0
M  CHG  1  24   1
M  END
$$$$
