NCI:168336
BBtclserve11129918032D 0   0.00000     0.00000124052
36161-46-3
 19 20  0  0  0  0  0  0  0  0  2 V2000
    4.5981    0.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.3807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    1.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    1.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    2.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    3.4672    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9171    4.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5158    3.3626    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3807    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  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 10 11  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  2  15   1  18  -1
M  END