File: Issue142d.mol

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Issue142d.mol
  I[C@H](O)S

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   -0.0196   -0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675   -0.6517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948    0.6843    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0      
  3  2  1  0      
  2  4  1  1      
M  END