D0X5QJ
 Wcorina  10100417223D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 17 18  0     0  0  0  0  0  0999 V2000
    1.7362    3.6937    0.0053 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6179   -4.0066   -0.0336 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.1446   -2.8474   -0.0109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0169    1.3953    0.0097 N   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
    1.0713   -2.9182   -0.0229 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0999    0.7887   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2564   -0.4168   -0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8854   -1.6804   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5024    0.6362   -0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2364    1.8699    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2397   -1.7544   -0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0397   -0.6095   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1438    1.5051   -0.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.7254   -0.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1141   -0.7187   -0.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8188    1.9411    0.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 17  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  CHG  2   2  -1   6   1
M  END

$$$$