A1J1I
  CCTOOLS-0828261229

 34 35  0  0  1  0  0  0  0  0999 V2000
    2.8020    2.1030    1.1320 C   0  0  0  0  0
   -0.1260    2.6100   -1.4910 C   0  0  0  0  0
   -0.8350    1.5360   -0.6640 C   0  0  0  0  0
   -2.2470    1.3200   -1.2120 C   0  0  0  0  0
    2.6270   -0.4600    0.2050 C   0  0  0  0  0
    3.7990   -0.0520    0.8530 C   0  0  0  0  0
    3.8750    1.2490    1.3180 C   0  0  0  0  0
    1.5810    0.4690    0.0490 C   0  0  0  0  0
    1.4690   -2.1760   -0.8660 O   0  0  0  0  0
    3.5000   -2.7140   -0.1490 O   0  0  0  0  0
    2.4910   -1.8340   -0.3050 C   0  0  0  0  0
    1.7060    1.7010    0.5190 N   0  0  0  0  0
    0.0940   -0.0140   -0.7630 S   0  0  0  0  0
   -2.9880    0.3540   -0.3240 C   0  0  0  0  0
   -3.7260    0.8250    0.7460 C   0  0  0  0  0
   -4.4050   -0.0620    1.5600 C   0  0  0  0  0
   -4.3480   -1.4190    1.3040 C   0  0  0  0  0
   -3.6120   -1.8900    0.2330 C   0  0  0  0  0
   -2.9360   -1.0030   -0.5840 C   0  0  0  0  0
    2.8620    3.1170    1.5000 H   0  0  0  0  0
    0.8800    2.7640   -1.1010 H   0  0  0  0  0
   -0.0670    2.2870   -2.5310 H   0  0  0  0  0
   -0.6850    3.5430   -1.4320 H   0  0  0  0  0
   -0.8940    1.8590    0.3760 H   0  0  0  0  0
   -2.7780    2.2720   -1.2350 H   0  0  0  0  0
   -2.1870    0.9130   -2.2210 H   0  0  0  0  0
    4.6220   -0.7370    0.9910 H   0  0  0  0  0
    4.7650    1.5950    1.8220 H   0  0  0  0  0
    3.3650   -3.6040   -0.5000 H   0  0  0  0  0
   -3.7700    1.8850    0.9460 H   0  0  0  0  0
   -4.9810    0.3060    2.3970 H   0  0  0  0  0
   -4.8790   -2.1110    1.9400 H   0  0  0  0  0
   -3.5670   -2.9500    0.0330 H   0  0  0  0  0
   -2.3630   -1.3700   -1.4230 H   0  0  0  0  0
  1 12  2  0  0  0
  1 20  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  2  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4 14  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5 11  1  0  0  0
  5  8  2  0  0  0
  6  5  1  0  0  0
  6 27  1  0  0  0
  7  6  2  0  0  0
  7  1  1  0  0  0
  7 28  1  0  0  0
  8 13  1  0  0  0
  9 11  2  0  0  0
 10 29  1  0  0  0
 11 10  1  0  0  0
 12  8  1  0  0  0
 13  3  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  2  0  0  0
 16 31  1  0  0  0
 17 32  1  0  0  0
 18 17  1  0  0  0
 18 33  1  0  0  0
 19 18  2  0  0  0
 19 34  1  0  0  0
M  END
$$$$
