m550.cdx
  corina  12080917093D 1   1.00000     0.00000 
CORINA 3.46 0026  05.08.2008
 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.0257    2.0413    0.0133 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8737   -0.3861   -1.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7319   -0.6797   -0.0421 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6979    2.5972   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4298    2.0746    1.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0326   -1.3498   -1.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6338    1.3749    0.7414 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5686    0.3389   -0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4330    0.3352   -1.1025 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3241    1.3479   -1.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0711    2.1969   -1.3393 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  1  5  1  0      
  2  3  1  0      
  3  7  1  0      
  4  7  1  0      
  4  9  1  0      
  5  6  1  0      
  6  8  1  0      
  8  9  1  0      
  9 10  2  0      
 10 11  1  0      
 11 12  3  0      
M  END
$$$$