NCI:2166
BBtclserve11129916392D 0   0.00000     0.00000  2154
479-45-8
 20 20  0  0  0  0  0  0  0  0  2 V2000
    4.4262    1.3902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0716    2.1540    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4871    1.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7329    3.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0558    1.9769    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4051    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4051    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4051    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4051    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5949    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0949    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
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 12 15  1  0  0  0  0
M  CHG  8   2   1   6  -1   9   1  11   1  14  -1  17  -1  18   1  20  -1
M  END