NCI:328026
BBtclserve11129919052D 0   0.00000     0.00000175043
999-99-9
 16 16  0  0  0  0  0  0  0  0  2 V2000
    4.8479   -0.6581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4411   -1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    0.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289   -2.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4466   -1.6762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    1.1019    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    0.1509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -3.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8379   -1.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2199   -2.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    1.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    2.6897    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    3.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8941    3.1897    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
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 11 12  2  0  0  0  0
M  CHG  2  13   1  16  -1
M  END