NCI:600638
BBtclserve11129919322D 0   0.00000     0.00000204667
999-99-9
 20 22  0  0  0  0  0  0  0  0  2 V2000
    4.5121   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3781   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2441   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2441   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3781    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5121   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3781    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    1.6639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8781    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8781    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1871    1.6639    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2903    3.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    1.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    0.4038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.4038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    1.9426    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3781   -2.9239    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.2441   -3.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5121   -3.4239    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  5  6  2  0  0  0  0
 10 11  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  2  18   1  20  -1
M  END