The atom coordinates of the MD simulations were used to obtain the connectivity of the system at each timestep. To obtain this connectivity, a bond length and duration criterion was used: two atoms are considered bonded if they are separated by less than a distance threshold λ for more than a duration τ . Inversely, a bond between two atoms is broken if their interatomic distance is more than the distance threshold λ for more than a duration τ . Using the values described in the bond distance thresholds λ were set to be λ = 1.98 A for C-C bonds, λ = 1.57 A for C-H bonds, λ = 1.09 A for H-H bonds, and the bond duration was set to τ = 0.096 ps for all the bonds.