D0DU4B
 Wcorina  10100417263D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 17 16  0     0  0  0  0  0  0999 V2000
   -1.0889   -2.4046   -0.4255 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0115    1.3937   -0.0868 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0206    0.0016   -0.2405 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3077   -0.0690   -0.0871 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3955    1.3199    0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892    1.7156   -1.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0818    2.0518    0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1281   -0.7034   -0.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2154    0.2452    0.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8890    1.5834    1.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7957    1.4522   -1.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4693    2.7903   -1.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2394    1.1862   -0.9925 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0628    3.1315    0.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8696   -0.4550   -0.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1344   -0.5764   -0.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3299    0.8949    0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
M  END

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