and HS states are shown in Table . r c denotes the coordinates of the complex. The first entry shows the sum of all 2-body interaction energies where one of the monomers is the complex (17 in total). The next entry shows the sum of the rest of the 2-body energies from pure water-pairs, 136 in total. Adding these terms up gives us the third row, the sum of all 2-body interaction energies. The fourth row contains the sum of all 3-body energies where one of the monomers is the complex, while the fifth row shows the total interaction energy of all ≥3-body terms, as given by equation 12. The water-water interactions are of course less strong individually, but summed up, we note that they contribute more to the total 2-body interactions than the complex-water interactions. From LS to HS state of