Table 1. Comparison between measured and calculated proportions of docking complexes.

Dihedral angle range/°	Measured proportion/%	Calculated proportion, exo NEA only/%	Calculated proportion, exo and endo NEA/%
10±5	43±5	28	42±1
45±5	39±5	48	45±1
70±5	18±4	24	13±1

Measured proportions of NEA–MP docking complexes that have dihedral angles in the STM images between the naphthyl group of NEA and the long axis of the MP of 10±5, 45±5 and 70±5°, compared with the results of the image analysis of the structures of the docking complexes calculated using DFT for only the exo form of NEA, and then including both the endo and exo forms. The measured proportions include the sampling error and the calculated proportions take into account possible variations in the sample temperature.