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Molecular modeling studies to calculate the lowest-energy conformers were performed with the program HyperChem, Hypercube, Inc. (Gainesville, Florida) version 4.5 employing the PM3 semiempirical method with the Polak-Riviere algorithm at a gradient of 0.05 kcal/mol
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Molecular modeling studies to calculate the lowest-energy conformers were performed with the program HyperChem, Hypercube, Inc. (Gainesville, Florida) version 4.5 employing the PM3 semiempirical method with the Polak-Riviere algorithm at a gradient of 0.05 kcal/mol.
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