On Tue, November 4, 2008 3:23 pm, Thomas Stout wrote:
>[snip]
> here.  The basic premise was: if two appropriate heteroatoms are spatially
> located within a set range of separations (1.8-3.4A) and disposed to one
> another within a certain angular spread (120-180 degrees) relative to the

I think you have a typo Tom. No two heavy atoms that are H-bonded are
going to be 1.8 A apart. That is *way* to close and indicative of a
problem in atom positioning.

Rich


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