public static IAtomContainer OrangeSmell() { var orangeSmell = new Ring(6, "C"); orangeSmell.Bonds[5].Order = BondOrder.Double; var carbonBottom = orangeSmell.Atoms[3]; var li00 = orangeSmell.Atoms[2]; var li01 = orangeSmell.Atoms[4]; var carbonAdded = orangeSmell.AddAtom("C"); var hydrogen = orangeSmell.AddAtom("H"); orangeSmell.AddBond(orangeSmell.Atoms[0], orangeSmell.AddAtom("C"), BondOrder.Single); orangeSmell.AddBond(carbonBottom, carbonAdded, BondOrder.Single); orangeSmell.AddBond(carbonBottom, hydrogen, BondOrder.Single); orangeSmell.AddBond(carbonAdded, orangeSmell.AddAtom("C"), BondOrder.Double); orangeSmell.AddBond(carbonAdded, orangeSmell.AddAtom("C"), BondOrder.Single); var ligands = new[] { li00, li01, carbonAdded, hydrogen }; orangeSmell.StereoElements.Add(new TetrahedralChirality(carbonBottom, ligands, TetrahedralStereo.AntiClockwise)); orangeSmell.SetProperty(NCDK.CDKPropertyName.Title, nameof(orangeSmell)); return(orangeSmell); }