NCI:78889
BBtclserve11129917152D 0   0.00000     0.00000 63059
813-90-1
 20 19  0  0  0  0  0  0  0  0  2 V2000
    3.7321    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3660    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2321    1.7321    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6340    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7321    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2321    1.7321    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2321   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2321   -1.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7321   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  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
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  CHG  4   4   1   5   1   9  -1  11  -1
M  END