Figure 5.

(a) Plot of the total “pseudo energy” of ranked rDG structures of plakilactone H, (2) showing the first 400 out of 1000 structures generated (K_NOE = 10.0 Å⁻²). The minimum energy level is indicated by the horizontal dashed green line, the dashed lines at higher energies indicate the differentiability of the best-fit solution with respect to alternate configurations. The inset plot shows the first “energy” steps in detail (first 100 structures). (b) Molecular structures of plakilactone H, (2) showing the superposition of all DG structures of configurational family A (42 structures, top left) and configurational family B (30 structures, top right). Molecular structures of plakilactone H, (2) showing the superposition of the best 72 DG structures (configurational families A and B, bottom).