8L8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O5 | sing | 1.43Å | 1.41Å | |
| C1 | C7 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.40Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.41Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.40Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | C9 | doub | 1.33Å | 1.36Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.48Å | 1.52Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C16 | sing | 1.48Å | 1.52Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O5 | 109.4° | 109.4° |
| C2 | C1 | C7 | 114.1° | 109.5° |
| C2 | C1 | H1 | 107.5° | 109.5° |
| C1 | C2 | O2 | 107.6° | 109.5° |
| C1 | C2 | C3 | 112.9° | 109.2° |
| C1 | C2 | H2 | 108.8° | 109.5° |
| O5 | C1 | C7 | 109.4° | 109.5° |
| O5 | C1 | H1 | 108.9° | 109.5° |
| C1 | O5 | C5 | 117.7° | 114.1° |
| C7 | C1 | H1 | 107.5° | 109.5° |
| C1 | C7 | C8 | 112.0° | 109.5° |
| C1 | C7 | H7 | 108.8° | 109.5° |
| C1 | C7 | H7A | 108.9° | 109.4° |
| O2 | C2 | C3 | 108.5° | 109.5° |
| O2 | C2 | H2 | 110.4° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C2 | H2 | 108.8° | 109.5° |
| C2 | C3 | O3 | 111.3° | 109.6° |
| C2 | C3 | C4 | 111.0° | 109.0° |
| C2 | C3 | H3 | 108.3° | 109.5° |
| O3 | C3 | C4 | 108.1° | 109.5° |
| O3 | C3 | H3 | 109.6° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 108.5° | 109.6° |
| C3 | C4 | O4 | 105.6° | 109.5° |
| C3 | C4 | C5 | 109.3° | 109.2° |
| C3 | C4 | H4 | 109.6° | 109.5° |
| O4 | C4 | C5 | 111.9° | 109.5° |
| O4 | C4 | H4 | 111.0° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | H4 | 109.3° | 109.6° |
| C4 | C5 | O5 | 108.9° | 109.4° |
| C4 | C5 | C6 | 113.3° | 109.5° |
| C4 | C5 | H5 | 107.1° | 109.5° |
| O5 | C5 | C6 | 111.6° | 109.5° |
| O5 | C5 | H5 | 108.5° | 109.5° |
| C6 | C5 | H5 | 107.2° | 109.5° |
| C5 | C6 | O6 | 112.4° | 109.4° |
| C5 | C6 | H6 | 108.7° | 109.5° |
| C5 | C6 | H6A | 108.7° | 109.5° |
| O6 | C6 | H6 | 108.7° | 109.5° |
| O6 | C6 | H6A | 108.7° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| C8 | C7 | H7 | 108.8° | 109.5° |
| C8 | C7 | H7A | 108.8° | 109.5° |
| C7 | C8 | C9 | 121.9° | 120.0° |
| C7 | C8 | H8 | 119.1° | 120.0° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| C9 | C8 | H8 | 119.1° | 120.0° |
| C8 | C9 | C10 | 121.4° | 120.0° |
| C8 | C9 | H9 | 119.3° | 120.0° |
| C10 | C9 | H9 | 119.3° | 120.0° |
| C9 | C10 | C11 | 119.3° | 120.1° |
| C9 | C10 | C15 | 121.7° | 120.0° |
| C11 | C10 | C15 | 119.0° | 119.9° |
| C10 | C11 | C12 | 120.4° | 120.0° |
| C10 | C11 | H11 | 119.8° | 120.0° |
| C10 | C15 | C14 | 120.6° | 120.0° |
| C10 | C15 | H15 | 119.7° | 119.9° |
| C12 | C11 | H11 | 119.8° | 120.0° |
| C11 | C12 | C13 | 120.5° | 120.0° |
| C11 | C12 | H12 | 119.8° | 120.0° |
| C13 | C12 | H12 | 119.7° | 120.0° |
| C12 | C13 | C14 | 119.2° | 120.0° |
| C12 | C13 | C16 | 120.4° | 120.0° |
| C14 | C13 | C16 | 120.4° | 120.0° |
| C13 | C14 | C15 | 120.3° | 120.0° |
| C13 | C14 | H14 | 119.9° | 120.0° |
| C13 | C16 | C17 | 120.1° | 120.1° |
| C13 | C16 | C21 | 120.5° | 120.1° |
| C15 | C14 | H14 | 119.9° | 120.0° |
| C14 | C15 | H15 | 119.7° | 120.0° |
| C17 | C16 | C21 | 119.4° | 119.7° |
| C16 | C17 | C18 | 120.2° | 119.9° |
| C16 | C17 | H17 | 119.9° | 120.1° |
| C16 | C21 | C20 | 120.2° | 119.9° |
| C16 | C21 | H21 | 119.9° | 120.1° |
| C18 | C17 | H17 | 119.9° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.1° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C19 | C18 | H18 | 119.9° | 119.9° |
| C18 | C19 | C20 | 119.7° | 120.3° |
| C18 | C19 | H19 | 120.2° | 119.8° |
| C20 | C19 | H19 | 120.1° | 119.9° |
| C19 | C20 | C21 | 120.3° | 120.1° |
| C19 | C20 | H20 | 119.9° | 119.9° |
| C21 | C20 | H20 | 119.9° | 120.0° |
| C20 | C21 | H21 | 119.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O5 | C7 | 125.6° | 120.0° |
| C2 | C1 | O5 | H1 | 117.2° | 119.9° |
| C2 | C1 | C7 | H1 | 119.0° | 120.0° |
| C1 | C2 | O2 | C3 | 122.4° | 119.7° |
| C1 | C2 | O2 | H2 | 118.6° | 120.1° |
| C1 | C2 | C3 | H2 | 120.9° | 119.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 180.0° |
| C1 | C2 | C3 | O3 | 171.0° | 176.9° |
| C1 | C2 | C3 | C4 | 50.6° | 57.0° |
| C1 | C2 | C3 | H3 | 68.4° | 62.9° |
| C2 | C1 | O5 | C5 | 55.8° | 61.2° |
| C2 | C1 | C7 | C8 | 61.1° | 175.0° |
| C2 | C1 | C7 | H7 | 59.3° | 55.0° |
| C2 | C1 | C7 | H7A | 178.5° | 65.0° |
| O5 | C1 | C7 | H1 | 118.1° | 120.0° |
| O5 | C1 | C2 | O2 | 71.2° | 62.3° |
| O5 | C1 | C2 | C3 | 48.4° | 57.7° |
| O5 | C1 | C2 | H2 | 169.2° | 177.6° |
| C1 | O5 | C5 | C4 | 60.9° | 61.2° |
| C1 | O5 | C5 | C6 | 173.2° | 178.9° |
| C1 | O5 | C5 | H5 | 55.3° | 58.8° |
| O5 | C1 | C7 | C8 | 176.0° | 65.0° |
| O5 | C1 | C7 | H7 | 63.6° | 174.9° |
| O5 | C1 | C7 | H7A | 55.6° | 54.9° |
| C7 | C1 | C2 | O2 | 165.8° | 177.7° |
| C7 | C1 | C2 | C3 | 74.6° | 62.4° |
| C7 | C1 | C2 | H2 | 46.3° | 57.5° |
| C7 | C1 | O5 | C5 | 69.9° | 58.8° |
| C1 | C7 | C8 | H7 | 120.4° | 120.0° |
| C1 | C7 | C8 | H7A | 120.4° | 119.9° |
| C1 | C7 | H7 | H7A | 118.9° | 120.0° |
| C1 | C7 | C8 | C9 | 166.0° | 127.4° |
| C1 | C7 | C8 | H8 | 14.0° | 52.4° |
| H1 | C1 | C2 | O2 | 46.8° | 57.7° |
| H1 | C1 | C2 | C3 | 166.4° | 177.6° |
| H1 | C1 | C2 | H2 | 72.8° | 62.5° |
| H1 | C1 | O5 | C5 | 172.9° | 178.8° |
| H1 | C1 | C7 | C8 | 57.9° | 55.0° |
| H1 | C1 | C7 | H7 | 178.3° | 65.0° |
| H1 | C1 | C7 | H7A | 62.5° | 175.0° |
| O2 | C2 | C3 | H2 | 120.1° | 120.2° |
| O2 | C2 | C3 | O3 | 51.9° | 56.9° |
| O2 | C2 | C3 | C4 | 68.5° | 62.9° |
| O2 | C2 | C3 | H3 | 172.5° | 177.1° |
| C3 | C2 | O2 | HO2 | 57.6° | 60.3° |
| C2 | C3 | O3 | C4 | 122.2° | 119.5° |
| C2 | C3 | O3 | H3 | 119.8° | 120.2° |
| C2 | C3 | C4 | H3 | 118.8° | 119.9° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C2 | C3 | C4 | O4 | 174.5° | 176.9° |
| C2 | C3 | C4 | C5 | 54.0° | 57.0° |
| C2 | C3 | C4 | H4 | 65.8° | 63.0° |
| H2 | C2 | O2 | HO2 | 61.4° | 59.9° |
| H2 | C2 | C3 | O3 | 68.1° | 63.3° |
| H2 | C2 | C3 | C4 | 171.4° | 176.9° |
| H2 | C2 | C3 | H3 | 52.4° | 56.9° |
| O3 | C3 | C4 | H3 | 118.8° | 120.2° |
| O3 | C3 | C4 | O4 | 63.2° | 63.2° |
| O3 | C3 | C4 | C5 | 176.3° | 176.8° |
| O3 | C3 | C4 | H4 | 56.5° | 56.9° |
| C4 | C3 | O3 | HO3 | 57.8° | 60.4° |
| C3 | C4 | O4 | C5 | 118.8° | 119.7° |
| C3 | C4 | O4 | H4 | 118.7° | 120.1° |
| C3 | C4 | C5 | H4 | 120.0° | 119.9° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C3 | C4 | C5 | O5 | 57.1° | 57.6° |
| C3 | C4 | C5 | C6 | 178.0° | 177.6° |
| C3 | C4 | C5 | H5 | 60.0° | 62.4° |
| H3 | C3 | O3 | HO3 | 60.3° | 59.8° |
| H3 | C3 | C4 | O4 | 55.6° | 57.0° |
| H3 | C3 | C4 | C5 | 64.9° | 62.9° |
| H3 | C3 | C4 | H4 | 175.3° | 177.1° |
| O4 | C4 | C5 | H4 | 123.4° | 120.2° |
| O4 | C4 | C5 | O5 | 173.7° | 177.5° |
| O4 | C4 | C5 | C6 | 61.4° | 62.5° |
| O4 | C4 | C5 | H5 | 56.6° | 57.5° |
| C5 | C4 | O4 | HO4 | 61.2° | 60.3° |
| C4 | C5 | O5 | C6 | 125.9° | 120.0° |
| C4 | C5 | O5 | H5 | 116.2° | 120.0° |
| C4 | C5 | C6 | H5 | 117.9° | 120.0° |
| C4 | C5 | C6 | O6 | 72.1° | 175.0° |
| C4 | C5 | C6 | H6 | 167.5° | 55.0° |
| C4 | C5 | C6 | H6A | 48.4° | 65.0° |
| H4 | C4 | O4 | HO4 | 61.3° | 59.9° |
| H4 | C4 | C5 | O5 | 62.9° | 62.3° |
| H4 | C4 | C5 | C6 | 62.0° | 57.7° |
| H4 | C4 | C5 | H5 | 180.0° | 177.7° |
| O5 | C5 | C6 | H5 | 118.6° | 120.1° |
| O5 | C5 | C6 | O6 | 51.4° | 65.1° |
| O5 | C5 | C6 | H6 | 69.1° | 174.9° |
| O5 | C5 | C6 | H6A | 171.8° | 54.9° |
| C5 | C6 | O6 | H6 | 120.4° | 120.0° |
| C5 | C6 | O6 | H6A | 120.4° | 120.0° |
| C5 | C6 | H6 | H6A | 118.6° | 120.1° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| H5 | C5 | C6 | O6 | 170.0° | 55.0° |
| H5 | C5 | C6 | H6 | 49.6° | 65.0° |
| H5 | C5 | C6 | H6A | 69.6° | 174.9° |
| O6 | C6 | H6 | H6A | 118.7° | 120.0° |
| H6 | C6 | O6 | HO6 | 59.6° | 60.0° |
| H6A | C6 | O6 | HO6 | 59.5° | 60.0° |
| C8 | C7 | H7 | H7A | 118.8° | 120.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 2.3° | 7.7° |
| C7 | C8 | C9 | H9 | 177.7° | 172.4° |
| H7 | C7 | C8 | C9 | 73.6° | 7.4° |
| H7 | C7 | C8 | H8 | 106.4° | 172.5° |
| H7A | C7 | C8 | C9 | 45.6° | 112.6° |
| H7A | C7 | C8 | H8 | 134.4° | 67.5° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 116.3° | 38.9° |
| C8 | C9 | C10 | C15 | 62.8° | 141.3° |
| H8 | C8 | C9 | C10 | 177.7° | 172.4° |
| H8 | C8 | C9 | H9 | 2.3° | 7.5° |
| C9 | C10 | C11 | C15 | 179.1° | 179.8° |
| C9 | C10 | C11 | C12 | 179.5° | 180.0° |
| C9 | C10 | C11 | H11 | 0.5° | 0.0° |
| C9 | C10 | C15 | C14 | 179.3° | 179.7° |
| C9 | C10 | C15 | H15 | 0.7° | 0.0° |
| H9 | C9 | C10 | C11 | 63.7° | 141.0° |
| H9 | C9 | C10 | C15 | 117.2° | 38.8° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.1° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| C11 | C10 | C15 | C14 | 0.2° | 0.5° |
| C11 | C10 | C15 | H15 | 179.8° | 179.7° |
| C15 | C10 | C11 | C12 | 0.4° | 0.2° |
| C15 | C10 | C11 | H11 | 179.6° | 179.7° |
| C10 | C15 | C14 | C13 | 0.1° | 0.5° |
| C10 | C15 | C14 | H15 | 180.0° | 179.7° |
| C10 | C15 | C14 | H14 | 179.9° | 179.7° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C11 | C12 | C13 | C16 | 179.8° | 180.0° |
| H11 | C11 | C12 | C13 | 179.8° | 180.0° |
| H11 | C11 | C12 | H12 | 0.2° | 0.0° |
| C12 | C13 | C14 | C16 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.2° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| C12 | C13 | C16 | C17 | 53.6° | 180.0° |
| C12 | C13 | C16 | C21 | 126.0° | 0.3° |
| H12 | C12 | C13 | C14 | 179.9° | 180.0° |
| H12 | C12 | C13 | C16 | 0.2° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.8° |
| C13 | C14 | C15 | H15 | 179.9° | 179.8° |
| C14 | C13 | C16 | C17 | 126.4° | 0.0° |
| C14 | C13 | C16 | C21 | 54.1° | 179.7° |
| C16 | C13 | C14 | C15 | 179.7° | 179.7° |
| C16 | C13 | C14 | H14 | 0.3° | 0.0° |
| C13 | C16 | C17 | C21 | 179.6° | 179.7° |
| C13 | C16 | C17 | C18 | 180.0° | 180.0° |
| C13 | C16 | C17 | H17 | 0.0° | 0.1° |
| C13 | C16 | C21 | C20 | 179.9° | 179.8° |
| C13 | C16 | C21 | H21 | 0.1° | 0.0° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.2° | 0.1° |
| C16 | C17 | C18 | H18 | 179.8° | 179.9° |
| C17 | C16 | C21 | C20 | 0.4° | 0.5° |
| C17 | C16 | C21 | H21 | 179.7° | 179.7° |
| C21 | C16 | C17 | C18 | 0.4° | 0.3° |
| C21 | C16 | C17 | H17 | 179.6° | 179.8° |
| C16 | C21 | C20 | C19 | 0.1° | 0.5° |
| C16 | C21 | C20 | H21 | 180.0° | 179.8° |
| C16 | C21 | C20 | H20 | 179.9° | 179.8° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| H17 | C17 | C18 | C19 | 179.8° | 180.0° |
| H17 | C17 | C18 | H18 | 0.2° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.2° | 0.3° |
| C18 | C19 | C20 | H20 | 179.8° | 180.0° |
| H18 | C18 | C19 | C20 | 179.9° | 179.9° |
| H18 | C18 | C19 | H19 | 0.1° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.7° |
| C19 | C20 | C21 | H21 | 179.9° | 179.7° |
| H19 | C19 | C20 | C21 | 179.8° | 179.8° |
| H19 | C19 | C20 | H20 | 0.2° | 0.0° |
| H20 | C20 | C21 | H21 | 0.1° | 0.0° |
