There are several instances of surprisingly high strain energies above 20 kJ/mol. The highest values calculated from the molecules studied here are 23.39 kJ/mol in BBA-8,10,12-OMe (LIRLIL) and 25.9 kJ/mol in nifedipine (RECJAN). High strain energies are not restricted to the most flexible molecules; two molecules with relatively few flexible degrees of freedom both show a relatively large strain energy in their CS structures: GAR-LAQ (∆E strain =18.16 kJ/mol, 2 rotatable bonds) and CENBUV structure 1 (∆E strain =15.50 kJ/mol, 4 rotatable bonds).