-ISIS-  08251613322D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.2458    0.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7292    0.0292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2667    0.9000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2625    0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2333    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    1.7458    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.7500    0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2458   -0.9542    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    1.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2417   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7708   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2542   -2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  2  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  2  0  0  0  0
 21 19  2  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  2   3   1   7  -1
M  END