A1DOS
  CCTOOLS-0807261403

 25 25  0  0  1  0  0  0  0  0999 V2000
    2.8310    1.6550   -0.2820 C   0  0  0  0  0
    3.0920    0.1500   -0.3700 C   0  0  0  0  0
    2.3230   -0.5670    0.7420 C   0  0  0  0  0
    0.8420   -0.4040    0.5130 C   0  0  0  0  0
    0.1540   -1.3330   -0.2450 C   0  0  0  0  0
   -1.2040   -1.1850   -0.4540 C   0  0  0  0  0
   -1.8750   -0.1070    0.0950 C   0  0  0  0  0
   -3.7330    0.0970   -0.1910 BR  0  0  0  0  0
   -1.1860    0.8220    0.8530 C   0  0  0  0  0
    0.1710    0.6710    1.0660 C   0  0  0  0  0
    4.5670   -0.1150   -0.2120 C   0  0  0  0  0
    4.9640   -0.8080    0.7010 O   0  0  0  0  0
    5.4450    0.4190   -1.0840 N   0  0  0  0  0
    1.7650    1.8470   -0.3970 H   0  0  0  0  0
    3.1650    2.0250    0.6870 H   0  0  0  0  0
    3.3790    2.1660   -1.0740 H   0  0  0  0  0
    2.7580   -0.2200   -1.3400 H   0  0  0  0  0
    2.5770   -1.6260    0.7340 H   0  0  0  0  0
    2.5910   -0.1350    1.7060 H   0  0  0  0  0
    0.6780   -2.1750   -0.6740 H   0  0  0  0  0
   -1.7420   -1.9100   -1.0470 H   0  0  0  0  0
   -1.7090    1.6650    1.2820 H   0  0  0  0  0
    0.7090    1.3960    1.6580 H   0  0  0  0  0
    5.1270    0.9740   -1.8130 H   0  0  0  0  0
    6.3940    0.2490   -0.9820 H   0  0  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  1  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3  2  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  6 21  1  0  0  0
  7  8  1  0  0  0
  7  6  2  0  0  0
  9  7  1  0  0  0
  9 22  1  0  0  0
 10  9  2  0  0  0
 10  4  1  0  0  0
 10 23  1  0  0  0
 11  2  1  0  0  0
 11 12  2  0  0  0
 13 11  1  0  0  0
 13 24  1  0  0  0
 13 25  1  0  0  0
M  END
$$$$
