D05SSB
 Wcorina  10100417253D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 20 21  0     0  0  0  0  0  0999 V2000
   -0.0171    1.4118    0.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2137   -0.0411    0.0234 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2029    0.0442   -0.0289 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
    0.1486   -2.8798   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1863   -2.1730    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3064   -2.0951   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1712   -0.6598    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1893   -0.6258   -0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359   -4.2505   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5550   -2.7159   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4806   -4.8604   -0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6324   -4.0943   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7496   -2.5014   -0.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7285   -2.5029    0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6619   -4.8508   -0.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4567   -2.1216   -0.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5514   -5.9381   -0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5982   -4.5775   -0.0575 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  4  1  0  0  0  0
  1 20  1  0  0  0  0
  2  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END

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