Hi All,

I'm currently working on transferring the 2 Python functions
GenerateDepictionMatching2DStructure and the 3D equivalent into the C++
core so they will be available to all users of the toolkit.  Can anyone
supply example test cases for me? In particular, I would appreciate
examples of the 2D version using the optional referencePattern argument,
and, for the 3D version, examples where it works well and less well. SMILES
and/or SDFs would be enough, but if you have pictures of the output and/or
comments on them, that would be a bonus.

Many thanks,
Dave
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