structure.mol
  corina  12080917213D 1   1.00000     0.00000 
CORINA 3.46 0026  05.08.2008
 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.0167    1.3781    0.0096 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
    1.2084   -0.6789   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3960    0.0285   -0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3773    1.4107   -0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    2.0855    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2926   -0.7753    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    2.1819   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0905    2.4457   -1.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2266    3.1249   -1.6998 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4049    2.0467   -2.3638 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6335    3.3813   -3.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0548    3.6069   -0.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0812    2.5353   -0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9460    3.0386    0.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9724    1.9671    1.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0370    4.7099   -3.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4619    4.9777   -4.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8654    6.3062   -5.4671 C   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
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
$$$$