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0043232284
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note
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1H NMR studies revealed intramolecular hydrogen bonding.
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17
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0042730976
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note
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Molecular dynamics calculation with the X-PLOR program on the basis of restraints derived from NMR studies.
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18
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0043232285
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note
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Conformational search using random sampling.
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19
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0042730975
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note
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Molecular modeling (molecular similarity) by QUANTA97.
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