m580.mol
  corina  12080917093D 1   1.00000     0.00000 
CORINA 3.46 0026  05.08.2008
 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.2130    1.5766   -0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3174    0.2074   -0.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -0.5469   -0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0469    0.0679   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1514    1.4370   -0.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0213    2.1915   -0.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4971    2.1073   -0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0698    2.3032   -1.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8690    3.4694   -2.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4345    3.5841   -3.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1418    2.5546   -3.9529 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3154    1.4686   -3.2906 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8285    1.2935   -2.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0698   -0.0064   -1.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7274    2.6768   -5.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2837    4.6056   -4.1004 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 10 16  2  0  0  0  0
M  END
$$$$