D0IK5F
 Wcorina  10100417263D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 18 18  0     0  0  0  0  0  0999 V2000
    0.4805    4.3859    0.0225 I   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9685   -0.0552    0.0142 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0320    1.8371    0.0021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0144    1.2138    0.0087 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.1543    1.8225    0.0351 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7078    1.9120    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3062    1.9364    0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4905    1.2291    0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7183    3.3081    0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3233    3.3204    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5275    4.0037    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9805    1.1602    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759    0.1492    0.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6570    3.8422    0.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5343    5.0836    0.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9895    1.3292    0.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1639    2.7924    0.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  5  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
M  CHG  2   3  -1   5   1
M  END

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