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Values of numerical integration over the neck region (black) and analytical approximation (red) as a function of distance between atoms in angstroms. Left to right, top to bottom, radii (in angstroms) for atoms 1 and 2, respectively are 1.2 and 1.2; 1.2 and 1.7; 1.7 and 1.2; 1.7 and 1.7.
