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a guest Feb 14th, 2020 59 Never
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  1. import rdkit
  2. import rdkit.Chem as Chem
  3.  
  4. s = 'c1ccccc1O'
  5. m = Chem.MolFromSmiles(s)
  6.  
  7. Chem.rdDepictor.Compute2DCoords(m)
  8. c = m.GetConformer(0)
  9. c.GetPositions()
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