NCI:529053
BBtclserve11129919322D 0   0.00000     0.00000204294
5584-25-8
 20 21  0  0  0  0  0  0  0  0  2 V2000
    5.4641    0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    1.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    1.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    2.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    2.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3763    3.7172    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7831    4.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3818    3.6126    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.6307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -4.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
  8  9  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  2  12   1  16  -1
M  END