D0AJ4T
 Wcorina  10100417253D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 20 20  0     0  0  0  0  0  0999 V2000
   -0.0198    1.6058    0.0109 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4907    2.1630   -0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7984    2.1391   -1.2935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    2.0831    1.2285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0482   -1.6679    3.5295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2233   -0.5729    0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6168   -1.1593    1.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0965   -0.5738   -0.9584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8847   -1.7430    1.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3441   -1.1535   -0.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7349   -1.7383    0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7043   -1.1604    2.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8005   -0.1200   -1.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1954   -2.1964    2.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0199   -1.1511   -1.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7130   -2.1889    0.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2733   -0.7094    2.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5539    3.1279    0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3990    1.8638   -2.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END

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