m546.cdx
  corina  12080917093D 1   1.00000     0.00000 
CORINA 3.46 0026  05.08.2008
 17 17  0  0  0  0  0  0  0  0999 V2000
    0.0182    1.1650   -0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236   -0.0740    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0462   -0.5856    0.5858 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2099    0.0555    0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3283    1.3108   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2056    1.8734   -0.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3858   -0.5589    1.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4716   -0.0192    1.1613 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2543   -1.7179    1.9098 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5462    1.9857   -0.0246 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5716    3.3302    0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7401    3.9902   -0.0418 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5401    3.9465    0.2465 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6922    5.4374    0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1243    5.8283    1.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1046    6.0069   -0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7971    6.0020   -1.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  4  7  1  0      
  7  8  2  0      
  7  9  1  0      
  5 10  1  0      
 10 11  1  0      
 11 12  1  0      
 11 13  2  0      
 12 14  1  0      
 14 15  1  0      
 14 16  1  0      
 14 17  1  0      
M  END
$$$$