NCI:120115
BBtclserve11129917342D 0   0.00000     0.00000 91455
12215-40-6
 17 21  0  0  0  0  0  0  0  0  2 V2000
    3.8995    0.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    0.3636    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    4.0559   -0.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5952    1.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9319    0.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    2.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071    0.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588    2.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    2.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2788   -1.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9895   -1.3408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2246    1.9179    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.8978    0.8813    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.4352   -2.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1460   -2.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3688   -2.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  2  0  0  0  0
  3 12  1  0  0  0  0
  4 13  3  0  0  0  0
  5 14  3  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  2  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 10  2  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  2  13   1  14   1
M  END
$$$$