The energies of interaction of the cellulose fragment consisting of four glucoside moieties with one or two molecules of solvent, N-methylmorpholine N-oxide, and with one or two water molecules has been calculated by the molecular mechanics method. It is shown that the organic solvent has high affinity for cellulose exceeding the intermolecular hydrogen bond energy in cellulose. The possibility is established of the interaction of two solvent molecules with the same glucoside unit.