B1188.sdf
  ChemDraw12212215102D

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    0.5242    0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5307    2.1885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6667   -2.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0      
  3  1  2  0      
  5  4  1  0      
  7  2  2  0      
  8  6  1  0      
  8  7  1  0      
  9  3  1  0      
  9  8  2  0      
 10  4  1  0      
 11  5  1  0      
 12 10  1  0      
 13  7  1  0      
 14  9  1  0      
 15 11  1  0      
 15 12  1  0      
 16  6  1  0      
 16 10  1  0      
 16 13  1  0      
 17 11  1  0      
 18 12  2  0      
 19 13  2  0      
A   20
0.5H2O
M  END
$$$$
