A4494.cdx
  ChemDraw06111414032D

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   -1.7687    1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2858   -0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0853   -0.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3975    2.1791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7116   -1.7817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7116    0.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3677   -3.1665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6475   -3.5664    0.0000 O   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      
  1  7  1  0      
  5  8  1  0      
  8  9  1  0      
  9 10  1  0      
 10 11  1  0      
 11 12  1  0      
 12 13  1  0      
 13 14  1  0      
 14 15  1  0      
 15 16  1  0      
  8 17  2  0      
 16 18  2  0      
  3 19  1  0      
 16 20  1  0      
 20 21  1  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  20
M  SMT   1 NHOH
M  SBV   1  20   -0.2278    0.7917
M  END
$$$$
