NCI:177782
BBtclserve11129918102D 0   0.00000     0.00000130425
12080-26-1
 14 17  0  0  0  0  0  0  0  0  2 V2000
    3.8995   -1.0095    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8331   -1.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2579   -0.0759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5411   -1.9431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659   -0.6511    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    3.5952    0.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9319   -0.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    1.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071   -0.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588    1.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    1.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2246    0.9032    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.8978   -0.1335    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  3  0  0  0  0
  7 14  3  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 12  2  0  0  0  0
M  CHG  2  13   1  14   1
M  END
$$$$