corina  12080917223D 1   1.00000     0.00000 
CORINA 3.46 0026  05.08.2008
 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.0184    1.5082    0.0103 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7416    1.8987   -1.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0711    0.7705   -1.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6173   -0.3905   -1.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7914    2.2066   -0.0032 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    3.6013    2.9051   -0.0167 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3000    2.5278   -1.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6210    3.6617   -1.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.8167   -1.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5806    4.4176   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0073    5.2842    1.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9098    6.1002    0.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3781    6.9085    1.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288    6.9136    2.9988 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0154    6.1086    3.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    5.2905    2.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3530    7.7848    4.0477 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.3968    8.4949    3.7923 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8352    7.7917    5.1661 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8  9  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  1  2  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 15 18  1  0  0  0  0
M  CHG  2  18   1  19  -1
M  END
$$$$