A1I9H
  CCTOOLS-0501261012

 31 32  0  0  0  0  0  0  0  0999 V2000
    1.8710   -0.2290    0.1820 C   0  0  0  0  0
    2.6800   -0.0320    1.3060 C   0  0  0  0  0
    4.0280    0.2100    1.1460 C   0  0  0  0  0
    2.4390   -0.1850   -1.0960 C   0  0  0  0  0
    3.7880    0.0580   -1.2380 C   0  0  0  0  0
    4.5810    0.2590   -0.1220 C   0  0  0  0  0
    6.0550    0.5250   -0.2870 C   0  0  0  0  0
   -4.1590    2.3220    0.2360 C   0  0  0  0  0
   -2.7540    0.0090   -0.1680 C   0  0  0  0  0
   -3.6840   -1.9260    0.1240 C   0  0  0  0  0
   -2.4180   -2.1640   -0.2570 C   0  0  0  0  0
   -0.4360   -0.7010   -0.8710 C   0  0  0  0  0
    0.4310   -0.4890    0.3430 C   0  0  0  0  0
   -3.8690   -0.5960    0.1710 N   0  0  0  0  0
   -1.8190   -0.9390   -0.4470 N   0  0  0  0  0
   -0.0560   -0.5320    1.4520 O   0  0  0  0  0
   -2.5130    1.7530   -0.2530 S   0  0  0  0  0
    2.2500   -0.0680    2.2960 H   0  0  0  0  0
    4.6540    0.3630    2.0130 H   0  0  0  0  0
    1.8210   -0.3410   -1.9680 H   0  0  0  0  0
    4.2280    0.0930   -2.2240 H   0  0  0  0  0
    6.2230    1.5980   -0.3740 H   0  0  0  0  0
    6.5930    0.1420    0.5810 H   0  0  0  0  0
    6.4160    0.0250   -1.1860 H   0  0  0  0  0
   -4.8990    1.9430   -0.4680 H   0  0  0  0  0
   -4.3880    1.9560    1.2370 H   0  0  0  0  0
   -4.1820    3.4120    0.2350 H   0  0  0  0  0
   -4.4270   -2.6760    0.3520 H   0  0  0  0  0
   -1.9570   -3.1320   -0.3890 H   0  0  0  0  0
   -0.3980    0.1850   -1.5040 H   0  0  0  0  0
   -0.0740   -1.5640   -1.4300 H   0  0  0  0  0
  1 13  1  0  0  0
  2  1  1  0  0  0
  2 18  1  0  0  0
  3  2  2  0  0  0
  3 19  1  0  0  0
  4  1  2  0  0  0
  4 20  1  0  0  0
  5  4  1  0  0  0
  5 21  1  0  0  0
  6  5  2  0  0  0
  6  3  1  0  0  0
  7  6  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 17  1  0  0  0
  9 14  2  0  0  0
 10 14  1  0  0  0
 10 28  1  0  0  0
 11 10  2  0  0  0
 11 29  1  0  0  0
 12 15  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 12  1  0  0  0
 13 16  2  0  0  0
 15 11  1  0  0  0
 15  9  1  0  0  0
 17  8  1  0  0  0
M  END
$$$$
