Another way of comparing conformations is the torsion fingerprint deviation (TFD) and it is a non-superpositional method. The torsion angles of the non-terminal acyclic bonds and ring systems are extracted from two conformations and weighted according to their distance from the center of the molecule, and the difference is recorded. TFD values range from zero to one, with zero representing a perfect alignment of identical conformations. The topological weighting step ensures that changes of the torsional angle in the core of the molecule have more influence on TFD than changes toward the edges. Similarly, we used the lowest energy conformation as the reference conformation. We used the implementation of TFD in RDKit (2018.03.1) .