A1JR3
  CCTOOLS-0807261402

 29 31  0  0  1  0  0  0  0  0999 V2000
    5.6430   -0.8620   -0.0540 C   0  0  0  0  0
    4.5550    0.0500    0.3340 C   0  0  0  0  0
    4.6580    1.2020    1.0650 C   0  0  0  0  0
    2.5200    0.9790    0.5740 C   0  0  0  0  0
    3.1340   -0.0780    0.0140 C   0  0  0  0  0
    2.4440   -1.1560   -0.7780 C   0  0  0  0  0
    6.9110   -0.5960    0.3190 O   0  0  0  0  0
    3.4370    1.7320    1.1950 O   0  0  0  0  0
    5.3980   -1.8580   -0.7060 O   0  0  0  0  0
    1.0530   -0.6470   -1.1770 C   0  0  0  0  0
    0.3480   -0.0760    0.0560 C   0  0  0  0  0
   -1.0960    0.2000   -0.2740 C   0  0  0  0  0
   -2.1440   -0.3490    0.3420 C   0  0  0  0  0
   -3.3790    0.0570   -0.1340 C   0  0  0  0  0
   -5.0070   -0.5840    0.5820 BR  0  0  0  0  0
   -3.3330    0.9360   -1.1380 C   0  0  0  0  0
   -1.6570    1.3010   -1.5260 S   0  0  0  0  0
    1.0330    1.2280    0.4820 C   0  0  0  0  0
    5.5710    1.6130    1.4690 H   0  0  0  0  0
    3.0240   -1.3810   -1.6730 H   0  0  0  0  0
    2.3460   -2.0540   -0.1680 H   0  0  0  0  0
    7.5910   -1.2240    0.0400 H   0  0  0  0  0
    1.1540    0.1330   -1.9320 H   0  0  0  0  0
    0.4670   -1.4720   -1.5820 H   0  0  0  0  0
    0.4020   -0.7970    0.8720 H   0  0  0  0  0
   -2.0380   -1.0560    1.1510 H   0  0  0  0  0
   -4.1940    1.3610   -1.6330 H   0  0  0  0  0
    0.6530    1.5410    1.4550 H   0  0  0  0  0
    0.8360    2.0040   -0.2580 H   0  0  0  0  0
  1  2  1  0  0  0
  2  3  2  0  0  0
  2  5  1  0  0  0
  3  8  1  0  0  0
  3 19  1  0  0  0
  4 18  1  0  0  0
  5  6  1  0  0  0
  5  4  2  0  0  0
  6 10  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7  1  1  0  0  0
  7 22  1  0  0  0
  8  4  1  0  0  0
  9  1  2  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 10 24  1  0  0  0
 11 12  1  0  0  0
 11 25  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 26  1  0  0  0
 14 15  1  0  0  0
 16 14  2  0  0  0
 16 27  1  0  0  0
 17 16  1  0  0  0
 18 11  1  0  0  0
 18 28  1  0  0  0
 18 29  1  0  0  0
M  END
$$$$
