NCI:53261
BBtclserve11129917042D 0   0.00000     0.00000 45040
90871-23-1
 19 19  0  0  0  0  0  0  0  0  2 V2000
    6.0267    4.0078    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.8928    4.5078    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1607    4.5078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0267    3.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2177    2.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8357    2.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5267    1.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5267    1.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9389    0.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3457   -0.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7579   -1.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646   -1.9762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768   -2.7852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836   -3.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -3.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -4.5078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781   -3.8033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
  7  8  2  0  0  0  0
M  CHG  2   1   1   2  -1
M  END