The results of the threshold simulations on the 50 lowest energy structures predicted for resorcinol, ranked by DFTB, are presented in Figure . The first observation from these results is that the internal degrees of freedom dramatically increases the number of minima found beyond the initial structure set (i.e. MC structures). Overall, from the threshold simulation trajectories a total of 2696 unique structures were identified. Nevertheless, significant clustering is still observed, yielding 18 distinct basins. Considering the landscape following threshold clustering, it is evident that the basin minima tend towards the higher density predicted packings. However, it is notable that again the two experimentally observed polymorphs are retained. Further insight is revealed by colouring the disconnectivity graph, this time according to whether the conformations in each structure are closer to the anti-syn or anti-anti conformation. From this, it is apparent the basins are distinguished by the conformation and no transitions are observed from the anti-anti to the anti-syn or vice versa. This is consistent with the expected difficulty of the transition, involving rotating multiple hydroxyl groups 180 degrees while breaking and forming hydrogen bonds. We do find several packings that are amenable to the hydrogen bonding of both conformations (Fig. ), and we suspect that these may have lower energy transitions between the conformations than other packings that are only favourable for one conformation.