NCI:98453
BBtclserve11129917232D 0   0.00000     0.00000 77230
90870-42-1
 17 18  0  0  0  0  0  0  0  0  1 V2000
    3.7108    1.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6499    1.4851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9436    1.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388    0.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218    2.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388   -0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4049   -0.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7109   -1.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -1.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9049   -1.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9049    0.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788    1.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6499   -2.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9436   -2.4702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788   -2.1037    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
  2  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
  6  7  1  0  0  0  0
 10 14  1  0  0  0  0
M  END