8X0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | O15 | sing | 1.43Å | 1.43Å | |
| O15 | C14 | sing | 1.36Å | 1.42Å | |
| C13 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | C17 | sing | 1.40Å | 1.46Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.48Å | 1.48Å | |
| C17 | C24 | doub | 1.40Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.33Å | 1.47Å | |
| C11 | C24 | sing | 1.40Å | 1.45Å | Aromatic |
| C11 | C9 | sing | 1.47Å | 1.50Å | |
| C24 | O23 | sing | 1.35Å | 1.52Å | |
| C19 | C20 | sing | 1.51Å | 1.55Å | |
| O10 | C9 | doub | 1.22Å | 1.24Å | |
| C9 | C8 | sing | 1.46Å | 1.55Å | |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | O23 | sing | 1.43Å | 1.49Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C7 | C8 | doub | 1.35Å | 1.41Å | |
| C7 | C6 | sing | 1.47Å | 1.58Å | |
| C25 | C6 | doub | 1.40Å | 1.44Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C3 | doub | 1.39Å | 1.45Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.46Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | O2 | sing | 1.36Å | 1.41Å | |
| O2 | C1 | sing | 1.43Å | 1.40Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | O15 | C14 | 112.6° | 117.0° |
| O15 | C16 | H10 | 109.5° | 109.5° |
| O15 | C16 | H11 | 109.4° | 109.5° |
| O15 | C16 | H12 | 109.5° | 109.5° |
| O15 | C14 | C13 | 119.4° | 120.1° |
| O15 | C14 | C17 | 120.7° | 120.1° |
| C14 | C13 | C12 | 120.4° | 120.5° |
| C13 | C14 | C17 | 120.0° | 119.8° |
| C14 | C13 | H9 | 119.8° | 119.8° |
| C13 | C12 | C11 | 120.2° | 120.4° |
| C13 | C12 | H8 | 119.9° | 119.8° |
| C12 | C13 | H9 | 119.8° | 119.8° |
| C14 | C17 | C18 | 122.2° | 121.5° |
| C14 | C17 | C24 | 118.9° | 120.1° |
| C12 | C11 | C24 | 119.1° | 119.6° |
| C12 | C11 | C9 | 120.1° | 120.2° |
| C11 | C12 | H8 | 119.9° | 119.7° |
| C18 | C17 | C24 | 118.9° | 118.4° |
| C17 | C18 | C19 | 119.4° | 118.0° |
| C17 | C18 | H13 | 120.3° | 120.9° |
| C17 | C24 | C11 | 121.4° | 119.7° |
| C17 | C24 | O23 | 120.2° | 119.0° |
| C18 | C19 | C20 | 119.7° | 120.0° |
| C19 | C18 | H13 | 120.3° | 121.0° |
| C18 | C19 | H14 | 120.2° | 120.0° |
| C24 | C11 | C9 | 120.8° | 120.2° |
| C11 | C24 | O23 | 118.5° | 121.4° |
| C11 | C9 | O10 | 120.1° | 120.0° |
| C11 | C9 | C8 | 119.7° | 120.0° |
| C24 | O23 | C20 | 116.0° | 117.1° |
| C19 | C20 | C22 | 115.5° | 109.2° |
| C19 | C20 | O23 | 111.1° | 110.5° |
| C19 | C20 | C21 | 113.7° | 109.2° |
| C20 | C19 | H14 | 120.2° | 120.0° |
| O10 | C9 | C8 | 120.2° | 120.0° |
| C9 | C8 | C7 | 117.5° | 120.0° |
| C9 | C8 | H7 | 121.3° | 120.0° |
| C22 | C20 | O23 | 105.9° | 109.3° |
| C22 | C20 | C21 | 100.2° | 109.3° |
| C20 | C22 | H18 | 109.5° | 109.5° |
| C20 | C22 | H19 | 109.5° | 109.5° |
| C20 | C22 | H20 | 109.5° | 109.5° |
| O23 | C20 | C21 | 109.7° | 109.3° |
| C20 | C21 | H15 | 109.5° | 109.5° |
| C20 | C21 | H16 | 109.5° | 109.4° |
| C20 | C21 | H17 | 109.5° | 109.5° |
| C8 | C7 | C6 | 126.3° | 120.0° |
| C8 | C7 | H6 | 116.9° | 120.0° |
| C7 | C8 | H7 | 121.3° | 120.0° |
| C7 | C6 | C25 | 116.7° | 120.1° |
| C7 | C6 | C5 | 122.5° | 120.1° |
| C6 | C7 | H6 | 116.8° | 120.0° |
| C6 | C25 | C26 | 120.2° | 119.9° |
| C25 | C6 | C5 | 120.8° | 119.8° |
| C6 | C25 | H21 | 119.9° | 120.1° |
| C25 | C26 | C3 | 119.6° | 120.1° |
| C26 | C25 | H21 | 119.9° | 120.0° |
| C25 | C26 | H22 | 120.2° | 120.0° |
| C6 | C5 | C4 | 118.8° | 119.9° |
| C6 | C5 | H5 | 120.6° | 120.1° |
| C26 | C3 | C4 | 120.3° | 120.2° |
| C26 | C3 | O2 | 117.2° | 119.8° |
| C3 | C26 | H22 | 120.2° | 120.0° |
| C5 | C4 | C3 | 120.3° | 120.2° |
| C5 | C4 | H4 | 119.8° | 119.9° |
| C4 | C5 | H5 | 120.6° | 120.1° |
| C4 | C3 | O2 | 122.5° | 119.9° |
| C3 | C4 | H4 | 119.8° | 119.9° |
| C3 | O2 | C1 | 117.9° | 117.0° |
| O2 | C1 | H1 | 109.5° | 109.4° |
| O2 | C1 | H2 | 109.5° | 109.5° |
| O2 | C1 | H3 | 109.4° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H10 | C16 | H12 | 109.4° | 109.4° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H15 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.4° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H18 | C22 | H20 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | O15 | C14 | C13 | 81.4° | 0.0° |
| C16 | O15 | C14 | C17 | 98.0° | 180.0° |
| O15 | C16 | H10 | H11 | 120.0° | 120.1° |
| O15 | C16 | H10 | H12 | 120.0° | 120.0° |
| O15 | C16 | H11 | H12 | 120.0° | 120.0° |
| O15 | C14 | C13 | C17 | 179.4° | 180.0° |
| O15 | C14 | C13 | C12 | 179.4° | 180.0° |
| O15 | C14 | C17 | C18 | 0.7° | 0.0° |
| O15 | C14 | C17 | C24 | 179.9° | 180.0° |
| O15 | C14 | C13 | H9 | 0.6° | 0.1° |
| C14 | O15 | C16 | H10 | 180.0° | 60.0° |
| C14 | O15 | C16 | H11 | 60.0° | 60.0° |
| C14 | O15 | C16 | H12 | 60.0° | 180.0° |
| C14 | C13 | C12 | H9 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.4° | 0.0° |
| C13 | C14 | C17 | C18 | 179.9° | 180.0° |
| C13 | C14 | C17 | C24 | 0.5° | 0.0° |
| C14 | C13 | C12 | H8 | 179.6° | 180.0° |
| C12 | C13 | C14 | C17 | 0.1° | 0.0° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | C24 | 0.4° | 0.0° |
| C13 | C12 | C11 | C9 | 179.5° | 179.7° |
| C14 | C17 | C18 | C24 | 179.4° | 180.0° |
| C14 | C17 | C18 | C19 | 159.4° | 163.7° |
| C14 | C17 | C24 | C11 | 0.5° | 0.1° |
| C14 | C17 | C24 | O23 | 179.7° | 180.0° |
| C17 | C14 | C13 | H9 | 179.9° | 180.0° |
| C14 | C17 | C18 | H13 | 20.6° | 16.3° |
| C12 | C11 | C24 | C17 | 0.0° | 0.1° |
| C12 | C11 | C24 | C9 | 179.1° | 179.7° |
| C12 | C11 | C24 | O23 | 179.3° | 180.0° |
| C12 | C11 | C9 | O10 | 43.8° | 179.8° |
| C12 | C11 | C9 | C8 | 136.2° | 0.3° |
| C11 | C12 | C13 | H9 | 179.6° | 179.9° |
| C17 | C18 | C19 | H13 | 180.0° | 180.0° |
| C18 | C17 | C24 | C11 | 179.9° | 180.0° |
| C18 | C17 | C24 | O23 | 0.8° | 0.0° |
| C17 | C18 | C19 | C20 | 8.2° | 0.6° |
| C17 | C18 | C19 | H14 | 171.8° | 179.4° |
| C24 | C17 | C18 | C19 | 20.0° | 16.4° |
| C17 | C24 | C11 | O23 | 179.3° | 180.0° |
| C17 | C24 | C11 | C9 | 179.0° | 179.7° |
| C17 | C24 | O23 | C20 | 33.8° | 33.6° |
| C24 | C17 | C18 | H13 | 160.0° | 163.7° |
| C18 | C19 | C20 | H14 | 180.0° | 180.0° |
| C18 | C19 | C20 | C22 | 98.0° | 89.1° |
| C18 | C19 | C20 | O23 | 22.7° | 31.2° |
| C18 | C19 | C20 | C21 | 147.0° | 151.4° |
| C24 | C11 | C9 | O10 | 137.1° | 0.1° |
| C24 | C11 | C9 | C8 | 42.9° | 180.0° |
| C11 | C24 | O23 | C20 | 146.9° | 146.3° |
| C24 | C11 | C12 | H8 | 179.6° | 180.0° |
| C9 | C11 | C24 | O23 | 0.2° | 0.3° |
| C11 | C9 | O10 | C8 | 180.0° | 179.9° |
| C11 | C9 | C8 | C7 | 26.8° | 180.0° |
| C11 | C9 | C8 | H7 | 153.3° | 0.0° |
| C9 | C11 | C12 | H8 | 0.5° | 0.3° |
| C24 | O23 | C20 | C19 | 42.4° | 48.0° |
| C24 | O23 | C20 | C22 | 83.7° | 72.3° |
| C24 | O23 | C20 | C21 | 169.0° | 168.2° |
| C19 | C20 | C22 | O23 | 123.4° | 121.0° |
| C19 | C20 | C22 | C21 | 122.5° | 119.4° |
| C19 | C20 | O23 | C21 | 126.5° | 120.2° |
| C20 | C19 | C18 | H13 | 171.8° | 179.4° |
| C19 | C20 | C21 | H15 | 180.0° | 60.0° |
| C19 | C20 | C21 | H16 | 60.0° | 180.0° |
| C19 | C20 | C21 | H17 | 60.0° | 60.0° |
| C19 | C20 | C22 | H18 | 180.0° | 60.0° |
| C19 | C20 | C22 | H19 | 60.0° | 180.0° |
| C19 | C20 | C22 | H20 | 60.0° | 60.0° |
| O10 | C9 | C8 | C7 | 153.2° | 0.1° |
| O10 | C9 | C8 | H7 | 26.7° | 179.9° |
| C9 | C8 | C7 | H7 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 178.1° | 180.0° |
| C9 | C8 | C7 | H6 | 1.9° | 0.1° |
| C22 | C20 | O23 | C21 | 107.3° | 119.5° |
| C22 | C20 | C19 | H14 | 82.0° | 90.9° |
| C22 | C20 | C21 | H15 | 56.2° | 179.5° |
| C22 | C20 | C21 | H16 | 63.9° | 60.5° |
| C22 | C20 | C21 | H17 | 176.2° | 59.4° |
| C20 | C22 | H18 | H19 | 120.0° | 120.0° |
| C20 | C22 | H18 | H20 | 120.0° | 120.0° |
| C20 | C22 | H19 | H20 | 120.0° | 120.0° |
| O23 | C20 | C19 | H14 | 157.3° | 148.8° |
| O23 | C20 | C21 | H15 | 54.9° | 61.0° |
| O23 | C20 | C21 | H16 | 174.9° | 59.0° |
| O23 | C20 | C21 | H17 | 65.1° | 178.9° |
| O23 | C20 | C22 | H18 | 56.6° | 179.0° |
| O23 | C20 | C22 | H19 | 63.4° | 59.0° |
| O23 | C20 | C22 | H20 | 176.6° | 61.0° |
| C21 | C20 | C19 | H14 | 33.0° | 28.6° |
| C20 | C21 | H15 | H16 | 120.0° | 119.9° |
| C20 | C21 | H15 | H17 | 120.0° | 120.0° |
| C20 | C21 | H16 | H17 | 120.0° | 119.9° |
| C21 | C20 | C22 | H18 | 57.4° | 59.4° |
| C21 | C20 | C22 | H19 | 177.5° | 60.6° |
| C21 | C20 | C22 | H20 | 62.6° | 179.4° |
| C8 | C7 | C6 | H6 | 180.0° | 179.9° |
| C8 | C7 | C6 | C25 | 177.4° | 0.0° |
| C8 | C7 | C6 | C5 | 1.1° | 180.0° |
| C7 | C6 | C25 | C5 | 178.5° | 179.9° |
| C7 | C6 | C25 | C26 | 179.7° | 179.8° |
| C7 | C6 | C5 | C4 | 179.9° | 180.0° |
| C7 | C6 | C5 | H5 | 0.1° | 0.0° |
| C6 | C7 | C8 | H7 | 1.9° | 0.0° |
| C7 | C6 | C25 | H21 | 0.3° | 0.0° |
| C6 | C25 | C26 | H21 | 180.0° | 179.8° |
| C6 | C25 | C26 | C3 | 0.8° | 0.5° |
| C25 | C6 | C5 | C4 | 1.4° | 0.1° |
| C25 | C6 | C5 | H5 | 178.6° | 180.0° |
| C25 | C6 | C7 | H6 | 2.6° | 180.0° |
| C6 | C25 | C26 | H22 | 179.3° | 180.0° |
| C26 | C25 | C6 | C5 | 1.2° | 0.2° |
| C25 | C26 | C3 | H22 | 180.0° | 179.5° |
| C25 | C26 | C3 | C4 | 0.7° | 0.5° |
| C25 | C26 | C3 | O2 | 179.4° | 179.8° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 1.4° | 0.1° |
| C6 | C5 | C4 | H4 | 178.6° | 180.0° |
| C5 | C6 | C7 | H6 | 178.9° | 0.1° |
| C5 | C6 | C25 | H21 | 178.8° | 179.9° |
| C26 | C3 | C4 | C5 | 1.0° | 0.3° |
| C26 | C3 | C4 | O2 | 178.6° | 179.7° |
| C26 | C3 | O2 | C1 | 139.6° | 0.3° |
| C26 | C3 | C4 | H4 | 179.0° | 179.7° |
| C3 | C26 | C25 | H21 | 179.2° | 179.7° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | O2 | 179.6° | 180.0° |
| C4 | C3 | O2 | C1 | 41.7° | 179.9° |
| C3 | C4 | C5 | H5 | 178.7° | 179.9° |
| C4 | C3 | C26 | H22 | 179.3° | 179.9° |
| C3 | O2 | C1 | H1 | 180.0° | 60.0° |
| C3 | O2 | C1 | H2 | 60.0° | 60.0° |
| C3 | O2 | C1 | H3 | 60.0° | 180.0° |
| O2 | C3 | C4 | H4 | 0.4° | 0.0° |
| O2 | C3 | C26 | H22 | 0.7° | 0.2° |
| O2 | C1 | H1 | H2 | 120.0° | 120.0° |
| O2 | C1 | H1 | H3 | 120.0° | 119.9° |
| O2 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 1.3° | 0.0° |
| H6 | C7 | C8 | H7 | 178.1° | 179.9° |
| H8 | C12 | C13 | H9 | 0.4° | 0.0° |
| H10 | C16 | H11 | H12 | 120.0° | 119.9° |
| H13 | C18 | C19 | H14 | 8.2° | 0.6° |
| H15 | C21 | H16 | H17 | 120.0° | 120.0° |
| H18 | C22 | H19 | H20 | 120.0° | 120.0° |
| H21 | C25 | C26 | H22 | 0.8° | 0.2° |
