NCI:20888
BBtclserve11129916492D 0   0.00000     0.00000 19148
12086-40-7
 16 24  0  0  0  0  0  0  0  0  2 V2000
    3.4142   -1.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071   -0.4606    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.3801   -0.9089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4142    0.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3461   -1.1677    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    6.0532   -0.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0872   -0.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0532   -0.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3120   -1.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3461    1.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0873   -0.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3801   -0.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6390    0.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0532    0.7194    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  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
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
M  CHG  1   2   1
M  END
$$$$