A1EC1
  CCTOOLS-0410261002

 31 32  0  0  0  0  0  0  0  0999 V2000
   -1.5380    0.9040    0.0940 C   0  0  0  0  0
   -4.0620   -0.2220    0.2700 C   0  0  0  0  0
   -1.9880    0.3970    1.3050 C   0  0  0  0  0
   -6.3080   -0.7700   -1.3080 C   0  0  0  0  0
    2.9600   -1.0730   -0.0660 C   0  0  0  0  0
    3.1540    0.3020   -0.0160 C   0  0  0  0  0
    2.0580    1.1550    0.0090 C   0  0  0  0  0
    0.7740    0.6300   -0.0150 C   0  0  0  0  0
    0.5880   -0.7440   -0.0650 C   0  0  0  0  0
    1.6790   -1.5910   -0.0910 C   0  0  0  0  0
   -2.3510    0.8470   -1.0280 C   0  0  0  0  0
   -3.6090    0.2860   -0.9420 C   0  0  0  0  0
   -3.2440   -0.1700    1.3920 C   0  0  0  0  0
    4.4490    0.8260    0.0090 N   0  0  0  0  0
    4.1270   -1.9830   -0.1000 N   0  3  0  0  0
   -0.3010    1.4620    0.0100 O   0  0  0  0  0
    4.1020   -3.0280    0.5260 O   0  5  0  0  0
    5.1120   -1.6870   -0.7520 O   0  0  0  0  0
   -5.6650   -0.9450    0.3790 S   0  0  0  0  0
    2.2940    2.8730    0.0720 CL  0  0  0  0  0
   -1.3560    0.4450    2.1790 H   0  0  0  0  0
   -5.6560   -1.3000   -2.0020 H   0  0  0  0  0
   -7.3120   -1.1900   -1.3590 H   0  0  0  0  0
   -6.3420    0.2860   -1.5760 H   0  0  0  0  0
   -0.4120   -1.1530   -0.0840 H   0  0  0  0  0
    1.5310   -2.6600   -0.1340 H   0  0  0  0  0
   -1.9990    1.2410   -1.9700 H   0  0  0  0  0
   -4.2440    0.2450   -1.8150 H   0  0  0  0  0
   -3.5950   -0.5650    2.3340 H   0  0  0  0  0
    5.2130    0.2280    0.0240 H   0  0  0  0  0
    4.5840    1.7860    0.0110 H   0  0  0  0  0
  1  3  1  0  0  0
  1 16  1  0  0  0
  2 13  1  0  0  0
  3 21  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5 10  1  0  0  0
  5 15  1  0  0  0
  6  5  2  0  0  0
  7  8  2  0  0  0
  7  6  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 26  1  0  0  0
 11  1  2  0  0  0
 11 27  1  0  0  0
 12  2  2  0  0  0
 12 11  1  0  0  0
 12 28  1  0  0  0
 13  3  2  0  0  0
 13 29  1  0  0  0
 14  6  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 18  2  0  0  0
 15 17  1  0  0  0
 16  8  1  0  0  0
 19  4  1  0  0  0
 19  2  1  0  0  0
 20  7  1  0  0  0
M  CHG  1  15   1
M  CHG  1  17  -1
M  END
$$$$
