¶Ôµâ.cdx
  corina  12150914503D 1   1.00000     0.00000 
CORINA 3.46 0026  05.08.2008
 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.0167    1.3780    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084   -0.6790   -0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3963    0.0280   -0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3782    1.4101   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1715    2.0856    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1436    4.1804    0.0136 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2285   -2.1859   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2990   -2.6213   -0.9327 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2807   -3.4039   -0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3097   -3.7928    0.8381 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -3.4416    1.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3173   -2.6589    1.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4906   -3.9349    3.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3372   -2.2938    2.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5314   -3.9181   -1.4927 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4286   -2.6857    3.5171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6995   -1.5108    2.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6521   -1.1814    3.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  6  7  1  0      
  3  8  1  0      
  8  9  1  0      
  9 10  1  0      
 10 11  1  0      
 11 12  1  0      
 12 13  2  0      
 13  8  1  0      
 12 14  1  0      
 13 15  1  0      
 10 16  2  0      
 15 17  2  0      
 15 18  1  0      
 18 19  1  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  19
M  SMT   1 OMe
M  SCL   1  
M  SBV   1  19   -0.7141    0.4123
M  END

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