NCI:177806
BBtclserve11129918102D 0   0.00000     0.00000130449
43157-90-0
 16 19  0  0  0  0  0  0  0  0  2 V2000
    3.8995   -0.6241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8331   -0.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2579    0.3095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5411   -1.5577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659   -0.2657    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    4.9895   -1.9701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5952    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9319   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    2.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071   -0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588    1.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    1.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9231   -2.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2246    1.2886    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.8978    0.2519    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
  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
 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
$$$$