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PM7-optimized structures of the anion–methanol complex of (A) the α2,3 and (B) the α2,6 sialic acid isomers of H1S1N1. PM7-optimized structures of the anion–methanol complex of the doubly α2,3 and doubly α2,6 sialylated isomers of H5N4F1S2 are depicted in (C) and (D). Insets depict the glycan structures in SFNG format.
