TEETOA is symmetrical and has four chemically equivalent ethyl groups. Based on our retrospective studies of TEETOA-G1, we conclude this symmetry is broken when G1 is bound because the guest (G1) has a particular orientation. So instead of all ethyl groups being oriented symmetrically, we find the preference is highly sensitive to the orientation of the guest. Our data suggests a specific orientation of the guest in the bound state (State 1 in Figure ) predominates. With this binding mode, the host has one ethyl group pointing inward whereas the other three point outward. Our results show details of the ethyl groups' orientations and enhance our understanding of the likely bound conformation of TEETOA host-guest complexes. In addition, submissions for methods that used enhanced sampling techniques (Replica Exchange (RE) or REUS, GCMC) performed with greater accuracy than methods using classic MD or US techniques, showcasing the success and perhaps the necessity of enhanced sampling methods for adequately sampling host-guest bound conformations.