NCI:255013
BBtclserve11129918352D 0   0.00000     0.00000154734
43157-88-6
 19 22  0  0  0  0  0  0  0  0  2 V2000
    3.8995   -0.1573    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8331   -0.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2579    0.7763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5411   -1.0909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    0.2011    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    4.9895   -1.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5952    0.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9319    0.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    2.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071    0.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588    2.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    2.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9231   -1.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2246    1.7554    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.8978    0.7187    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    6.8567   -2.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2815   -0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5647   -2.7953    0.0000 C   0  0  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
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  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
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  3  0  0  0  0
  8 16  3  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 13  2  0  0  0  0
M  CHG  2  15   1  16   1
M  END
$$$$