NCI:166615
BBtclserve11129918012D 0   0.00000     0.00000122821
999-99-9
 18 18  0  0  0  0  0  0  0  0  2 V2000
    4.5723    0.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4383    1.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7063    1.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5723   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3044    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9383    0.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9383    2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8403    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2063    0.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2063    2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7063   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4383   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7672   -0.3393    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7063   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4383   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5953    0.6458    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5723   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  3 10  2  0  0  0  0
  4 11  2  0  0  0  0
  4 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 18  1  0  0  0  0
M  CHG  2  13   1  17  -1
M  END