NCI:85364
BBtclserve11129917172D 0   0.00000     0.00000 67389
999-99-9
 19 20  0  0  0  0  0  0  0  0  1 V2000
    2.3090    1.4216    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    1.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    1.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    2.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    0.9216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    2.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    3.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1261    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5201    2.9906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1261   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2601   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  7  9  1  0  0  0  0
 14 15  1  0  0  0  0
M  END