The first task is to establish a numbering scheme for the atoms so that one can simply specify the atoms that will be in each fragment and compactly describe the permutational symmetry. For C 14 H 30 a simple numbering system will suffice, as shown in Figure . Note that the specification of each atom has a type, here H or C, and a number indicating its position. It is important to stress that this linear arrangement of the carbon atoms in the figure is mainly for clarity. Although the global minimum (GM) does have this arrangement, it is clear from Figure and the associated commentary that there are numerous non-linear arrangements of these atoms.