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0343067581
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note
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NOESY and HSQC-NOESY experiments were carried out with a 300 ms mixing time at 294 K on a Bruker DRX500 instrument. All NOEs were negative.
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24
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0343939361
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note
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3. Crystallographic data (excluding structure factors) for the structure reported in this paper have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication no. CCDC-139644. Copies of the data can be obtained free of charge on application to CCDC, 12 Union Road, Cambridge CB21EZ, UK (fax: (+ 44) 1223-336-033; e-mail: deposit@ccdc.cam.ac.uk).
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25
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0000031451
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33
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0343067574
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note
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D.
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34
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0343939360
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note
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Molecular mechanics calculations were carried out using the CAChe 4.1 software from Oxford Molecular Ltd. with augmented MM2 parameters; MM3 gave similar results.
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