D06CTS
 Wcorina  10100417233D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 16 16  0     0  0  0  0  0  0999 V2000
   -2.5596    3.9420    4.7601 Cl  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
   -0.7881    3.4423    2.2621 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
   -3.8030   -0.0930    3.6920 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9401    1.5970    4.9474 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
   -3.4499    1.0356    3.9840 N   0  3  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
   -1.8335    1.1371    2.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4252    1.7249    3.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0006    2.9607    3.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0852    0.1408    1.7300 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
  1 13  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  6  9  1  0  0  0  0
  7  9  2  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
M  CHG  2   6  -1   9   1
M  END

$$$$