33R
  CCTOOLS-0410261002

 41 43  0  0  0  0  0  0  0  0999 V2000
   -3.5310    0.9620    0.0850 C   0  0  0  0  0
   -5.9140    1.1340    0.3300 C   0  0  0  0  0
   -4.9080   -0.9900   -0.1650 C   0  0  0  0  0
   -3.6580   -0.4030   -0.1680 C   0  0  0  0  0
    3.8260   -0.2200    1.5770 C   0  0  0  0  0
   -7.6050   -0.9630    0.0690 CL  0  0  0  0  0
   -5.0680   -2.6900   -0.4800 CL  0  0  0  0  0
    4.2440   -2.2810    2.7200 C   0  0  0  0  0
    4.3310   -2.9370    1.5070 C   0  0  0  0  0
    4.1700   -2.2330    0.3280 C   0  0  0  0  0
    4.2610   -2.9360   -0.9720 N   0  3  0  0  0
    4.5810   -4.1110   -1.0080 O   0  0  0  0  0
    4.0170   -2.3390   -2.0050 O   0  5  0  0  0
    3.9180   -0.8750    0.3630 C   0  0  0  0  0
    3.7420   -0.1080   -0.9230 C   0  0  0  0  0
    3.5950    1.3600   -0.6150 C   0  0  0  0  0
    2.4260    1.8480   -0.3050 N   0  0  0  0  0
    1.2900    1.0300   -0.3570 N   0  0  0  0  0
    0.0340    1.5720   -0.1330 C   0  0  0  0  0
   -1.0830    0.9130   -0.1550 N   0  0  0  0  0
   -2.1910    1.5980    0.0820 C   0  0  0  0  0
   -4.6680    1.7280    0.3350 C   0  0  0  0  0
   -6.0350   -0.2220    0.0790 C   0  0  0  0  0
   -2.0180    2.9110    0.3210 C   0  0  0  0  0
   -0.2930    3.2630    0.2340 S   0  0  0  0  0
    4.7290    2.2120   -0.6630 C   0  0  0  0  0
    5.8000    1.7780   -1.0410 O   0  0  0  0  0
    4.6180    3.5040   -0.2890 O   0  0  0  0  0
    3.9920   -0.9220    2.7550 C   0  0  0  0  0
   -6.7950    1.7280    0.5200 H   0  0  0  0  0
   -2.7800   -1.0000   -0.3670 H   0  0  0  0  0
    3.6290    0.8420    1.6040 H   0  0  0  0  0
    4.3740   -2.8300    3.6410 H   0  0  0  0  0
    4.5270   -3.9990    1.4800 H   0  0  0  0  0
    4.6140   -0.2600   -1.5590 H   0  0  0  0  0
    2.8500   -0.4620   -1.4380 H   0  0  0  0  0
    1.3820    0.0830   -0.5490 H   0  0  0  0  0
   -4.5750    2.7860    0.5310 H   0  0  0  0  0
   -2.8000    3.6250    0.5330 H   0  0  0  0  0
    5.4430    4.0040   -0.3560 H   0  0  0  0  0
    3.9240   -0.4100    3.7040 H   0  0  0  0  0
  1  4  2  0  0  0
  2 23  1  0  0  0
  2 30  1  0  0  0
  3  7  1  0  0  0
  4  3  1  0  0  0
  4 31  1  0  0  0
  5 32  1  0  0  0
  8 29  1  0  0  0
  8 33  1  0  0  0
  9  8  2  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 14  2  0  0  0
 11 12  2  0  0  0
 11 10  1  0  0  0
 13 11  1  0  0  0
 14  5  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 25  1  0  0  0
 20 21  1  0  0  0
 21  1  1  0  0  0
 21 24  2  0  0  0
 22  2  2  0  0  0
 22  1  1  0  0  0
 22 38  1  0  0  0
 23  6  1  0  0  0
 23  3  2  0  0  0
 24 39  1  0  0  0
 25 24  1  0  0  0
 26 16  1  0  0  0
 26 28  1  0  0  0
 27 26  2  0  0  0
 28 40  1  0  0  0
 29  5  2  0  0  0
 29 41  1  0  0  0
M  CHG  1  11   1
M  CHG  1  13  -1
M  END
$$$$
