D04XPJ
 Wcorina  10100417233D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 27 28  0     0  0  0  0  0  0999 V2000
   -2.2167   -0.1003    0.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0171    1.4118    0.0098 O   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
   -1.0982   -4.9432   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0781   -6.4258   -0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3159   -4.2627    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1007   -4.2299   -0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1358   -2.1708    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3358   -2.8863    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0832   -2.8534   -0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1370   -7.1090   -0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2741   -7.1419   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1495   -8.4890   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2492   -8.5216   -0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0405   -9.1942   -0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1558   -0.6938    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2434   -4.8160    0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0429   -4.7577   -0.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2786   -2.3596    0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0114   -2.3013   -0.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0666   -6.5594   -0.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2183   -6.6178    0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0902   -9.0193   -0.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1751   -9.0774   -0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0259  -10.2741   -0.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8486   -0.4776   -0.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8608    1.8171    0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  3 16  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13 15  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END

$$$$