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Max-Planck-Institut für Festkörperforschung, Stuttgart, with the help of the group for numerically intensive computations of IBM Research Laboratory Zurich and the Abteilung Parrinello of MPI Stuttgart
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Allen, F. H.; Davies, J. E.; Galloy, J. J.; Johnson, O.; Kennard, O.; Macrae, C. F.; Mitchell, E. M.; Mitchell, G. F.; Smith, J. M.; Watson, D. G. J. Chem. Inf. Comp. Sci. 1991, 31, 187-204.
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35
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10144247185
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The atomic coordinates of our optimized structure are available by anonymous ftp
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The atomic coordinates of our optimized structure are available by anonymous ftp (address: parrixl.mpi-stuttgart.mpg.de, directory pub/ outgoing).
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36
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10144227702
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note
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-3 kcal/mol for all the atoms.
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41
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84986512474
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