B6044.sdf
  ChemDraw05041613522D

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   -3.0251   -1.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5177   -2.1511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7007   -2.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3910   -1.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8984   -0.6218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5887    0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7716    0.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4619    1.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3551    1.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0961    0.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    0.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6380    0.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6099    1.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8170    1.8194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2604    2.0987    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0251    1.7891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1463    2.9158    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  1  0      
  4  5  1  0      
  5  6  1  0      
  6  1  1  0      
  3  7  1  0      
  6  8  1  0      
  8  9  1  0      
  9 10  2  0      
 10 11  1  0      
  8 12  2  0      
 11 13  2  0      
 13 14  1  0      
 14 15  2  0      
 15 16  1  0      
 16 11  1  0      
 15 17  1  0      
 17 18  2  0      
 17 19  1  0      
M  CHG  2  17   1  19  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  17  18  19
M  SBL   1  1  18
M  SMT   1 NO2
M  SBV   1  18   -0.6505   -0.5074
M  END
$$$$
