On Friday 19 September 2003 00:29, Peter Murray-Rust wrote:
> At 17:54 18/09/2003 +0200, Miguel wrote:
> Create a file for  a molecule like HC(F)(Cl)Br  which
> is a tetrahedron. If you don't have that the coordinates are
> 1 1 1
> -1 -1 1
> 1 -1 -1
> -1 1 -1

Carbon at 0 0 0 ?

Egon

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PhD on Molecular Representation in Chemometrics
Nijmegen University
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