NCI:120125
BBtclserve11129917352D 0   0.00000     0.00000 91464
55125-27-4
 19 23  0  0  0  0  0  0  0  0  2 V2000
    3.8995   -0.1302    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0559   -1.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    0.2281    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    3.2788   -1.7472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9895   -1.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5952    1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9319    0.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    2.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071    0.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588    2.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    2.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -0.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1460   -2.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2246    1.7824    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.8978    0.7458    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    6.7003   -1.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0796   -2.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8567   -2.1930    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  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  5 13  2  0  0  0  0
  5 14  1  0  0  0  0
  6 15  3  0  0  0  0
  7 16  3  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  2  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 12  2  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  2  15   1  16   1
M  END
$$$$