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XYZ  Cartesian coordinates (block)

Read cartesian coordinates x,y,z of the ligands in the form

<x> <y> <z>

Because they serve only to determine the angular geometry, the choose of units is without significance.

Example: Coordinates of a regular tetrahedron

XYZ
 1  1  1
-1 -1  1
 1 -1 -1
-1  1 -1


Heribert Adamsky
Sat Sep 14 16:23:16 MET DST 1996