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3), and then cooling the structure to 200 K to generate 100 structures. From there minimisation using the TNCG (Truncated Newton Conjugate Gradient) method, MM2* force field, and using the appropriate solvent, was performed on the generated conformations for a maximum of 100 iterations to provide a population of structures for the solution structure analysis. From this, the twenty lowest energy conformers were selected, superimposed and analysed.
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