D0BR1D
 Wcorina  10100417213D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 20 20  0     0  0  0  0  0  0999 V2000
   -0.0163    1.3522    0.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1484    0.3219    3.0887 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0708    0.3188    3.0201 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0804   -4.0898    2.4401 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0673   -2.2799    3.5238 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0322   -4.0228   -2.5040 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0019   -2.1879   -3.5443 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0644   -2.8721    2.4595 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0161   -2.8050   -2.4944 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0232   -0.7149    1.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0416   -2.1119    1.1896 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
    0.0184   -2.0749   -1.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0388   -2.7809   -0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004   -0.6941   -1.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0200    0.0072    2.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0530   -3.8607   -0.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0166   -0.1509   -2.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8616    1.7575    0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0999    0.7956    3.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 19  1  0  0  0  0
  2 16  1  0  0  0  0
  2 20  1  0  0  0  0
  3 16  2  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  CHG  4   4  -1   6  -1   8   1   9   1
M  END

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