D0Q1EI
 Wcorina  10100417233D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 19 19  0     0  0  0  0  0  0999 V2000
   -1.1616    5.2229    3.8942 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8101    0.1937    3.8831 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    1.4168    0.0098 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617    2.2101    0.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9002    1.8797   -1.3124 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0869    3.0228    4.8200 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9297    1.8941    1.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8429    1.0193    1.9988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7267    3.1405    2.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3631    2.6441    3.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4405    3.5184    3.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5607    1.3905    3.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9956    0.0449    1.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0091    3.8194    1.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1992    1.2154   -1.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1184    2.8153   -1.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9455    3.8968    5.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7307    2.4115    5.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  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
 11 13  2  0  0  0  0
M  END

$$$$