W7U
  CCTOOLS-0801250956

 27 28  0  0  0  0  0  0  0  0999 V2000
    4.5410    0.2030   -0.6690 C   0  0  0  0  0
    4.5260    0.0870    0.6780 N   0  0  0  0  0
    3.2620    0.4140   -1.0770 C   0  0  0  0  0
    5.6360    0.1300   -1.4680 O   0  0  0  0  0
    3.2010    0.2290    1.1080 N   0  0  0  0  0
    5.6910   -0.1480    1.5350 C   0  0  0  0  0
    2.4460    0.4240    0.0580 C   0  0  0  0  0
    0.9520    0.6260    0.0700 C   0  0  0  0  0
    0.1240   -0.9810   -0.0740 S   0  0  0  0  0
   -1.5850   -0.5500   -0.0430 C   0  0  0  0  0
   -2.5540   -1.5410   -0.1340 C   0  0  0  0  0
   -1.9650    0.7810    0.0780 C   0  0  0  0  0
   -3.8920   -1.2010   -0.1090 C   0  0  0  0  0
   -3.3040    1.1150    0.1030 C   0  0  0  0  0
   -4.2680    0.1260    0.0060 C   0  0  0  0  0
   -5.9510    0.5510    0.0370 CL  0  0  0  0  0
    2.9340    0.5480   -2.0980 H   0  0  0  0  0
    6.1180    0.8080    1.8370 H   0  0  0  0  0
    5.3840   -0.7050    2.4200 H   0  0  0  0  0
    6.4370   -0.7220    0.9850 H   0  0  0  0  0
    0.6580    1.1040    1.0040 H   0  0  0  0  0
    0.6650    1.2600   -0.7690 H   0  0  0  0  0
   -2.2620   -2.5770   -0.2240 H   0  0  0  0  0
   -1.2140    1.5530    0.1530 H   0  0  0  0  0
   -4.6460   -1.9710   -0.1790 H   0  0  0  0  0
   -3.6010    2.1490    0.1970 H   0  0  0  0  0
    6.0710    0.9810   -1.6190 H   0  0  0  0  0
  1  3  2  0  0  0
  1  2  1  0  0  0
  2  5  1  0  0  0
  3  7  1  0  0  0
  3 17  1  0  0  0
  4  1  1  0  0  0
  4 27  1  0  0  0
  6  2  1  0  0  0
  6 18  1  0  0  0
  6 19  1  0  0  0
  6 20  1  0  0  0
  7  5  2  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 13  2  0  0  0
 11 23  1  0  0  0
 12 10  2  0  0  0
 12 14  1  0  0  0
 12 24  1  0  0  0
 13 25  1  0  0  0
 14 15  2  0  0  0
 14 26  1  0  0  0
 15 13  1  0  0  0
 15 16  1  0  0  0
M  END
$$$$
