NCI:631136
BBtclserve11129919462D 0   0.00000     0.00000216867
999-99-9
 19 21  0  0  0  0  0  0  0  0  2 V2000
    2.8660   -0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6831   -0.0847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2709    0.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6831    1.5334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2709    0.7244    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7709   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3642   -1.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1073   -1.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9733   -1.2243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7654   -0.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4345    0.4970    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.4127    0.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1255    1.4480    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3860   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 12 19  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  2  16   1  18  -1
M  END