C5100.sdf
  ChemDraw05221713582D

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    1.4897   -0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0466    1.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7028   -0.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4807   -1.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8477   -2.3458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2506   -1.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2997   -2.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0729   -2.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2102   -1.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5743   -1.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2102    1.6985    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  1  0      
  4  5  2  0      
  3  6  2  0      
  6  7  1  0      
  7  8  2  0      
  5  8  1  0      
  8  9  1  0      
  9 10  2  0      
 10 11  1  0      
 11 12  1  0      
 12 13  1  0      
 12 14  2  0      
  9 14  1  0      
 11 15  1  0      
 15 16  2  0      
 13 16  1  0      
 16 17  1  0      
 17 18  1  0      
 18 19  1  0      
 19 20  1  0      
 15 20  1  0      
  2 21  1  0      
M  CHG  2   2   1  21  -1
M  END
$$$$
