A1JS1
  CCTOOLS-0522260957

 31 33  0  0  1  0  0  0  0  0999 V2000
    4.6940    0.5960    1.5970 O   0  0  0  0  0
    4.8790    0.4340    0.4070 C   0  0  0  0  0
    6.1170    0.5700   -0.1070 O   0  0  0  0  0
    3.7520    0.0830   -0.4720 C   0  0  0  0  0
    3.7860   -0.1330   -1.8200 C   0  0  0  0  0
    2.5490   -0.4290   -2.2460 O   0  0  0  0  0
    1.6760   -0.4220   -1.2430 C   0  0  0  0  0
    2.3530   -0.1160   -0.0900 C   0  0  0  0  0
    1.6870   -0.0350    1.2140 C   0  0  0  0  0
    0.2630   -0.5710    1.2470 C   0  0  0  0  0
   -0.4570   -0.0990   -0.0210 C   0  0  0  0  0
   -1.9010   -0.5240    0.0400 C   0  0  0  0  0
   -2.2240   -1.8650    0.1400 C   0  0  0  0  0
   -0.9660   -3.0590    0.1960 CL  0  0  0  0  0
   -3.5510   -2.2540    0.1970 C   0  0  0  0  0
   -4.5530   -1.3040    0.1540 C   0  0  0  0  0
   -4.2300    0.0370    0.0530 C   0  0  0  0  0
   -2.9050    0.4280    0.0020 C   0  0  0  0  0
   -2.4640    2.2610   -0.1350 BR  0  0  0  0  0
    0.1930   -0.6950   -1.2700 C   0  0  0  0  0
    2.2320    0.4260    2.1950 O   0  0  0  0  0
    6.8260    0.7970    0.5100 H   0  0  0  0  0
    4.6660   -0.0750   -2.4430 H   0  0  0  0  0
    0.2810   -1.6610    1.2750 H   0  0  0  0  0
   -0.2540   -0.1890    2.1270 H   0  0  0  0  0
   -0.4050    0.9880   -0.0790 H   0  0  0  0  0
   -3.8030   -3.3020    0.2760 H   0  0  0  0  0
   -5.5880   -1.6080    0.1980 H   0  0  0  0  0
   -5.0140    0.7800    0.0180 H   0  0  0  0  0
   -0.2430   -0.2490   -2.1640 H   0  0  0  0  0
    0.0210   -1.7710   -1.2790 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  3 22  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  7 20  1  0  0  0
  7  6  1  0  0  0
  8  4  1  0  0  0
  8  7  2  0  0  0
  9  8  1  0  0  0
 10  9  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 20  1  0  0  0
 11 26  1  0  0  0
 12 11  1  0  0  0
 12 13  2  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 15 27  1  0  0  0
 16 15  2  0  0  0
 16 28  1  0  0  0
 17 16  1  0  0  0
 17 29  1  0  0  0
 18 17  2  0  0  0
 18 12  1  0  0  0
 19 18  1  0  0  0
 20 30  1  0  0  0
 20 31  1  0  0  0
 21  9  2  0  0  0
M  END
$$$$
