NCI:17817
BBtclserve11129916472D 0   0.00000     0.00000 16919
86-20-4
 18 20  0  0  0  0  0  0  0  0  2 V2000
    5.5441    2.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1373    3.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9563    1.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2653    0.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4563   -0.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1789    0.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    0.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872    2.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5608   -1.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2834   -0.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4744   -1.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5789   -2.5347    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.4925   -2.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699   -3.1225    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
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  6  8  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  2  16   1  18  -1
M  END