Ibuprofen.mol
  ChemDraw02200318212D

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    0.0014   -1.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141   -0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141    0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286   -1.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1437   -0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1437    0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8586   -1.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8415    1.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0165    1.1849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1441    0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1441   -0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586    0.4675    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      
  1  6  1  0      
  6  7  1  0      
  3  8  1  0      
  8  9  1  0      
  9 10  1  0      
  9 11  1  0      
  7 12  1  1      
  7 13  1  6      
  7 14  1  0      
 14 15  2  0      
 14 16  1  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  14  15  16
M  SBL   1  1  14
M  SMT   1 CO2H
M  SBV   1 14   -3.2023    1.5446
M  END