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0342710840
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note
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The heat of formation for about 800 different conformers was calculated for each diastereomer in two stages (at first from 0-180° and then from 180-360° torsional angles α and β) using the keywords Gnorm = 0.01 Nointer Point1 = 21 Point2 = 22 Step1 = 9 Step2 = 9 Geo-Ok T = 80000 by Mopac 7.
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