D0I3XN
 Wcorina  10100417233D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 18 18  0     0  0  0  0  0  0999 V2000
   -0.0172    1.4158    0.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2179   -0.7307    0.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1265   -2.2212   -0.0518 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0967   -4.0624   -0.0472 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0801   -2.8445   -0.0452 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3722   -0.7705   -0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7883   -2.1220   -0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712   -0.0597   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3941   -2.1642   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7725   -0.7384   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6011   -2.8326   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600    1.0202   -0.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4680   -2.7198   -0.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7021   -0.1887   -0.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6192   -3.9124   -0.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8608    1.8211    0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0078   -0.1731    0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 17  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  CHG  2   3  -1   5   1
M  END

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