Supporting Information. Electronic Supplementary Information (ESI) available free of charge via the Internet at . All underlying data are available in the article itself and its supplementary materials and include: Detailed experimental and computational procedures, analyses, and characterizations (AmidineSI.pdf); Excel sheet with the results and parameters that were used to identify models (Ami-dine2022.xlsx); Zip archive with cif and checkcif X-ray files (xray.zip). The raw data and code files are openly available in GitHub at and include machine readable NMR and HRMS traces, as well as all optimized .xyz files, code and data sets.