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note
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Assignment of the H-bond descriptors are based on the graph-set theory and described in refs 6a-d. The full sets of the first- and second-level descriptors for 1-3 have been obtained using the program PLUTO according to ref 6e. For convenience, the notation Xa,d(n) has also been adopted in this paper, in which X is the pattern descriptor, a is number of acceptors, d is number of donors, and n is the number of atoms comprising the pattern.
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