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The UP and DOWN conformers of the DEFG-ring model compound 1 were generated by conformational searches using MMFF force field (; CONFLEX Corporation: Tokyo, Japan) and geometrically optimized at the HF/6-31G//PM3 level of theory (Spartan 08; Wavefunction, Inc.: Irvine, CA)
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The UP and DOWN conformers of the DEFG-ring model compound 1 were generated by conformational searches using MMFF force field (CONFLEX ver. 6.7; CONFLEX Corporation: Tokyo, Japan) and geometrically optimized at the HF/6-31G//PM3 level of theory (Spartan 08; Wavefunction, Inc.: Irvine, CA).
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CONFLEX Ver. 6.7
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