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The molecular models and parameters of 12T and its conformers were estimated using ChemSketch Freeware (version 8.17) and 3D Viewer (version 8.04) (Advanced Chemistry Development Inc., Toronto, Ontario M5H 3V9, Canada)
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The steric energy of 12T and its conformers were calculated after energy minimization of the structures using CS Chem3D Pro (version 5.0) (Cambridge Soft Corp., Cambridge, MA). Chem 3D uses a modified version of Allinger's molecular mechanics (MM2) force field
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