1. Department of Computer-Aided Molecular Design, Institute of Physiologically Active Compounds of Russian Academy of Sciences, 142432, Chernogolovka, Moscow region, Russia, Division of Structural Biochemistry, Research Center Borstel, Leibniz Center for Medicine and Biosciences, Parkallee 1-40, D-23845 Borstel, Germany, and Institute of Solution Chemistry, Russian Academy of Sciences, 153045 Ivanovo, Russia