NCI:177812
BBtclserve11129918102D 0   0.00000     0.00000130455
33308-64-4
 18 22  0  0  0  0  0  0  0  0  2 V2000
    3.6730   -1.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3801   -2.2429    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.9659   -0.8287    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    3.5301    1.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    0.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071   -1.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588   -0.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730   -0.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2462    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7890    2.2429    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    6.3802    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1122    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3802    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1122    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2462   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2462   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3801   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  3  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
 15 16  1  0  0  0  0
M  CHG  2   2   1  11   1
M  END
$$$$