The distribution of scores and an image of the highest scoring conformation, 116.32, is given in Figure (a,b). Note that 116 is an isolated state and anomalous, as in the case of 72.64 in the non-covalently bonded ligand. The orientation of the covalently bound Nirmatrelvir in the highest scoring region of >100 follows the non-covalent wobbling of the pyrrolodine by the dihedral angle.