Table 4. Relative Gibbs free energies of the conformers of (R)- and (S)-MPD extracted from the PDB.

Conformer	G (kJmol1), 300K
1a	0.00
2a	3.70
3a	4.71
3c	6.99
1b	7.33
1c	7.33
2c	7.33
2b	7.71
3b	8.72