NCI:120101
BBtclserve11129917342D 0   0.00000     0.00000 91441
12108-22-4
 13 16  0  0  0  0  0  0  0  0  2 V2000
    3.8995   -0.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0559   -1.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6767   -0.3531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659   -0.6241    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    3.5952    0.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9319   -0.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    1.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071   -0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588    1.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    1.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2246    0.9302    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.8978   -0.1064    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  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  3  0  0  0  0
  6 13  3  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
M  CHG  2  12   1  13   1
M  END
$$$$