NCI:113964
BBtclserve11129917302D 0   0.00000     0.00000 86813
31868-91-4
 18 20  0  0  0  0  0  0  0  0  2 V2000
    7.4641    0.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.5287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.5287    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    6.1902   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9163   -1.3948    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    8.2735   -0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1035   -1.2449    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    6.8078   -0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1514   -1.3494    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    8.3301    0.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
 11 14  1  0  0  0  0
 14 15  3  0  0  0  0
 11 16  1  0  0  0  0
 16 17  3  0  0  0  0
  1 18  1  0  0  0  0
  4 11  1  0  0  0  0
  3 11  1  0  0  0  0
  2 11  1  0  0  0  0
M  CHG  3  13   1  15   1  17   1
M  END
$$$$