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Modelling was performed by one of the authors (M.C.) using the Hyperchem™ 7.01 molecular modelling package for Windows. The coordinates for the nanowheel were obtained from the single crystal X-ray structure analysis.[5] Hydration water was modelled as networks of O-atoms restrained to preferentially tetrahedral bonding with O⋯O distances of 0.282 nm using the AMBER force field as described previously.[13] Details will be published by M. C. elsewhere.
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Modelling was performed by one of the authors (M.C.) using the Hyperchem™ 7.01 molecular modelling package for Windows. The coordinates for the nanowheel were obtained from the single crystal X-ray structure analysis.[5] Hydration water was modelled as networks of O-atoms restrained to preferentially tetrahedral bonding with O⋯O distances of 0.282 nm using the AMBER force field as described previously.[13] Details will be published by M. C. elsewhere.
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