Table 1.

Bond energies of 25-OH/SM and 25-OH/GM₁ dimers depending on the mutual orientation of molecules.

		binding energy (kcal mol−1)
mutual orientation of molecules in the dimer		25-OH/SM	25-OH/GM1
polar group neighbouring C(3)–OH of 25-OH	25-OH methyl groups outside	−32.67	−34.16
	25-OH methyl groups inside	−31.76	−42.11
polar group neighbouring C(25)–OH of 25-OH	25-OH methyl groups outside	−23.50	−30.18
	25-OH methyl groups inside	−22.18	−36.26