NCI:120562
BBtclserve11129917352D 0   0.00000     0.00000 91850
999-99-9
 20 22  0  0  0  0  0  0  0  0  2 V2000
    3.2071   -0.6914    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4659    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9142   -1.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1980    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    1.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9019   -1.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7578   -2.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7202    3.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0299    0.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3994    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4568    2.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3559   -0.3511    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3559   -2.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6488   -2.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2887    1.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3545   -0.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8113    0.4876    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3436   -2.2895    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.7019   -3.2231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9729   -1.5124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  9 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  8 11  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  CHG  4  12   1  17  -1  18   1  20  -1
M  END