NCI:166725
BBtclserve11129918012D 0   0.00000     0.00000122916
999-99-9
 16 17  0  0  0  0  0  0  0  0  2 V2000
    4.4411   -0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -1.2068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289    0.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -2.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7199    1.4668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0289    0.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -2.0158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -2.9668    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5289    2.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3379    1.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -2.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -3.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5289    3.0546    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3950    3.5546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6629    3.5546    0.0000 O   0  5  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  2  0  0  0  0
  4  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  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
M  CHG  2  13   1  16  -1
M  END