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. 2018 Nov 14;7(11):902–913. doi: 10.1002/open.201800209

Figure 1.

Figure 1

Rutin local minima calculated through B3LYP/6‐31G(d,p) rigid scan jobs (varying dihedral angles φ1, φ2, φ3, φ4, φ5 and φ6 as indicated), with the CH3–C5′′′ group in the axial position. The local minima (Mi) structures are indicated. There are 14 equivalent minima with the CH3–C5′′′ group in the equatorial position (named: M2, M4, M6, M8, M10, M12, M14, M16, M18, M20, M22, M24, M26, M28).