NCI:358290
BBtclserve11129919142D 0   0.00000     0.00000183111
72632-83-8
 18 19  0  0  0  0  0  0  0  0  2 V2000
    4.6261    0.8981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6751    1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    1.2071    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    2.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.1581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5471    3.8807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9484    2.8626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3807    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -3.8807    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 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
  5  8  1  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  2  16   1  18  -1
M  END