1. Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom
2. Institute of Molecular Medicine and Cell Research, University of Freiburg, Stefan-Meier- Str. 17, D-79104 Freiburg, Germany
3. Institute of General, Inorganic and Theoretical Chemistry, Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, Innrain 80/82, A-6020 Innsbruck, Austria