Internal structure representation

In the dProperties molecule representation, all bonds belonging to aromatic rings are assigned a conventional bond order of 1.5 while bonds belonging to non-aromatic conjugated systems are alternating single and double bonds. The nitro group is represented by two double bonds N = O and the N-oxide by one double bond N = O. Aromaticity detection is performed by an internal algorithm and thus it is independent of the explicit bond specification of the input file.