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85069093188
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note
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1 blocks of 1024 complex points each in the t2 dimension and averaged 16 scans per block during the recycle delay of 3.0 sec. for the NOESY. The data sets were processed using the EDL (JEOL Inc., Tokyo, Japan) on a VAX 3200 workstation.
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15
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85069098564
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note
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IR spectra were recorded at room temperature on a Perkin Elmer 1600 FT-IR spectrometer using a KBr solution cell with an optical pathlength of 0.1mm. lmg of Samples were dissolved in 10ml of chloroform.
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Macromodel ver. 4.5
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a) Macromodel ver. 4.5: Mohamadi, F.; Richards, N. G. J.; Guida, W. C.; Liskamp, R.; Canfield, C.; Chang, G. Hendrickson, T.; Still, W. C., J. Comput Chem., 1990, 11, 440. AMBER* force field was used with all-atom of the molecule and Gasteiger charges. Conformations within 10 kJ of the lowest energy were examined.
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