I want to convert an XYZ file into a hydrogen-depleted heavy-atom molecule in Maple. Since XYZ has only coordinates, I’ll infer bonds by comparing inter-atomic distances to the sum of covalent radii ± tolerance, then remove hydrogens and output a heavy-atom molecule with only these bonds. What tolerances are sensible, and is there any built-in way in Maple to do this? Kind help with a maple code to do this.