m555.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
   -0.0178    1.4608    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3248   -2.8094    2.9119 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3424   -1.5402    3.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2442   -0.5506    2.4173 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1210   -0.7930    1.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0975   -2.1303    0.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2051   -3.1522    1.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.7854   -1.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0442   -2.0829   -0.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -4.4824    1.2538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4852   -1.2013    4.7941 R   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176    1.9904   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3972    3.4972    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3427    4.0870    0.0207 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5504    4.1841    0.0002 O   0  0  0  0  0  0  0  0  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
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  6 10  1  0  0  0  0
  1  8  1  0  0  0  0
  7 11  1  0  0  0  0
  3 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
$$$$