The most strongly bound configurations fundamentally retained their surface bonding structures, with kinetic energy distributed mainly into backbone distortions (see the SI movies M6H_3Cu_150deg.mp4 and P6H_3Cu_150deg.mp4). Higher energy configurations explored broader configurational spaces. Reorganization of the adatom pattern (P6H_3Cu_180deg.mp4) to support a larger section of the molecular backbone was observed, as was a slide of the molecule towards undecorated surface to facilitate interactions of the molecule with flat areas of the substrate (as in P6H_3Cu_240deg.mp4, for example) in addition to adatoms. Note that the initial large local displacements visible in the movies are likely due to the random distribution of velocities at the beginning of the simulations.