A1DAE
  CCTOOLS-0828261229

 31 33  0  0  1  0  0  0  0  0999 V2000
    0.6570    1.1500   -0.8760 C   0  0  0  0  0
    1.5860   -1.2420   -0.2950 C   0  0  0  0  0
    3.6480   -0.5490    0.3830 C   0  0  0  0  0
    3.1660    2.0170   -0.0520 C   0  0  0  0  0
    0.9740    2.5000   -0.9030 C   0  0  0  0  0
    4.0450   -0.4530    1.8580 C   0  0  0  0  0
    2.2200    2.9300   -0.4940 C   0  0  0  0  0
   -2.7490   -0.0410   -0.7070 C   0  0  0  0  0
   -3.8000   -0.3040    0.1810 C   0  0  0  0  0
   -2.9190   -0.3060   -1.8890 O   0  0  0  0  0
   -3.7060   -0.0520    1.4650 N   0  0  0  0  0
   -2.3610    0.5630    1.9900 S   0  0  0  0  0
   -1.2420    0.8220    0.9200 N   0  0  0  0  0
   -1.5120    0.5130   -0.3280 C   0  0  0  0  0
   -0.5680    0.7280   -1.2790 O   0  0  0  0  0
    1.6120    0.2220   -0.4350 C   0  0  0  0  0
    2.8690    0.6760   -0.0240 C   0  0  0  0  0
    4.8160   -0.6810   -0.4310 O   0  0  0  0  0
    5.5590   -1.8780   -0.1910 C   0  0  0  0  0
    2.7640   -1.6840    0.1780 O   0  0  0  0  0
    0.6370   -1.9490   -0.5680 O   0  0  0  0  0
    4.1390    2.3610    0.2660 H   0  0  0  0  0
    0.2430    3.2170   -1.2460 H   0  0  0  0  0
    3.1470   -0.3800    2.4710 H   0  0  0  0  0
    4.6070   -1.3430    2.1410 H   0  0  0  0  0
    4.6630    0.4310    2.0110 H   0  0  0  0  0
    2.4600    3.9830   -0.5180 H   0  0  0  0  0
    5.8870   -1.9000    0.8480 H   0  0  0  0  0
    4.9270   -2.7430   -0.3920 H   0  0  0  0  0
    6.4290   -1.9030   -0.8480 H   0  0  0  0  0
   -5.2730   -0.9840   -0.4380 CL  0  0  0  0  0
  1 15  1  0  0  0
  2 20  1  0  0  0
  3 17  1  0  0  0
  4  7  2  0  0  0
  4 22  1  0  0  0
  5  1  2  0  0  0
  5 23  1  0  0  0
  6  3  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7  5  1  0  0  0
  7 27  1  0  0  0
  8 10  2  0  0  0
  9  8  1  0  0  0
  9 31  1  0  0  0
 11  9  2  0  0  0
 12 11  1  0  0  0
 13 12  1  0  0  0
 14  8  1  0  0  0
 14 13  2  0  0  0
 15 14  1  0  0  0
 16 17  2  0  0  0
 16  1  1  0  0  0
 16  2  1  0  0  0
 17  4  1  0  0  0
 18  3  1  0  0  0
 19 18  1  0  0  0
 19 28  1  0  0  0
 19 29  1  0  0  0
 19 30  1  0  0  0
 20  3  1  0  0  0
 21  2  2  0  0  0
M  END
$$$$
