89U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C21 | sing | 1.36Å | 1.40Å | |
| O24 | C25 | sing | 1.43Å | 1.40Å | |
| O24 | C20 | sing | 1.36Å | 1.40Å | |
| C21 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.46Å | 1.50Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C07 | doub | 1.37Å | 1.32Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.47Å | 1.53Å | |
| C08 | C09 | doub | 1.41Å | 1.38Å | Aromatic |
| C07 | C04 | sing | 1.47Å | 1.53Å | |
| C14 | C09 | sing | 1.40Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.47Å | 1.53Å | |
| C03 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.41Å | 1.39Å | Aromatic |
| C02 | C01 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C05 | sing | 1.47Å | 1.53Å | |
| C10 | O15 | doub | 1.22Å | 1.18Å | |
| C05 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| O23 | H15 | sing | 0.97Å | 0.95Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C21 | C20 | 119.4° | 120.0° |
| O23 | C21 | C22 | 120.5° | 120.0° |
| C21 | O23 | H15 | 109.5° | 114.0° |
| C25 | O24 | C20 | 115.7° | 117.0° |
| O24 | C25 | H16 | 109.5° | 109.5° |
| O24 | C25 | H17 | 109.5° | 109.5° |
| O24 | C25 | H18 | 109.4° | 109.4° |
| O24 | C20 | C21 | 119.9° | 119.8° |
| O24 | C20 | C19 | 120.8° | 119.9° |
| C20 | C21 | C22 | 120.2° | 120.0° |
| C21 | C20 | C19 | 119.3° | 120.3° |
| C21 | C22 | C17 | 120.3° | 119.8° |
| C21 | C22 | H14 | 119.8° | 120.1° |
| C20 | C19 | C18 | 120.5° | 120.2° |
| C20 | C19 | H13 | 119.7° | 119.9° |
| C22 | C17 | C18 | 119.2° | 119.7° |
| C22 | C17 | C16 | 120.3° | 120.1° |
| C17 | C22 | H14 | 119.9° | 120.1° |
| C19 | C18 | C17 | 120.5° | 120.0° |
| C19 | C18 | H12 | 119.8° | 120.0° |
| C18 | C19 | H13 | 119.8° | 119.9° |
| C18 | C17 | C16 | 120.3° | 120.1° |
| C17 | C18 | H12 | 119.7° | 120.0° |
| C17 | C16 | C07 | 129.7° | 120.0° |
| C17 | C16 | H10 | 115.2° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.6° |
| C12 | C11 | C08 | 120.0° | 119.8° |
| C12 | C11 | H6 | 120.0° | 120.1° |
| C11 | C12 | H7 | 120.0° | 119.8° |
| C12 | C13 | C14 | 120.0° | 120.6° |
| C13 | C12 | H7 | 120.0° | 119.7° |
| C12 | C13 | H8 | 120.0° | 119.7° |
| C11 | C08 | C07 | 117.8° | 120.7° |
| C11 | C08 | C09 | 119.9° | 119.6° |
| C08 | C11 | H6 | 120.0° | 120.1° |
| C16 | C07 | C08 | 120.0° | 120.4° |
| C16 | C07 | C04 | 120.0° | 120.4° |
| C07 | C16 | H10 | 115.2° | 120.0° |
| C13 | C14 | C09 | 120.0° | 119.7° |
| C14 | C13 | H8 | 120.0° | 119.7° |
| C13 | C14 | H9 | 120.0° | 120.1° |
| C07 | C08 | C09 | 120.1° | 119.6° |
| C08 | C07 | C04 | 120.0° | 119.2° |
| C08 | C09 | C14 | 120.1° | 119.6° |
| C08 | C09 | C10 | 119.9° | 119.7° |
| C07 | C04 | C03 | 117.9° | 120.7° |
| C07 | C04 | C05 | 120.0° | 119.6° |
| C14 | C09 | C10 | 117.9° | 120.7° |
| C09 | C14 | H9 | 120.0° | 120.1° |
| C09 | C10 | C05 | 120.0° | 119.3° |
| C09 | C10 | O15 | 119.9° | 120.3° |
| C04 | C03 | C02 | 119.9° | 119.8° |
| C03 | C04 | C05 | 120.0° | 119.7° |
| C04 | C03 | H3 | 120.0° | 120.1° |
| C03 | C02 | C01 | 120.1° | 120.6° |
| C03 | C02 | H2 | 120.0° | 119.7° |
| C02 | C03 | H3 | 120.0° | 120.1° |
| C04 | C05 | C10 | 120.0° | 119.7° |
| C04 | C05 | C06 | 120.0° | 119.6° |
| C02 | C01 | C06 | 120.0° | 120.6° |
| C02 | C01 | H1 | 120.0° | 119.7° |
| C01 | C02 | H2 | 120.0° | 119.7° |
| C05 | C10 | O15 | 120.0° | 120.4° |
| C10 | C05 | C06 | 118.0° | 120.6° |
| C05 | C06 | C01 | 120.0° | 119.8° |
| C05 | C06 | H4 | 120.0° | 120.2° |
| C06 | C01 | H1 | 120.0° | 119.7° |
| C01 | C06 | H4 | 120.0° | 120.1° |
| H16 | C25 | H17 | 109.5° | 109.5° |
| H16 | C25 | H18 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C21 | C20 | O24 | 0.2° | 0.1° |
| O23 | C21 | C20 | C22 | 179.9° | 179.7° |
| O23 | C21 | C20 | C19 | 179.9° | 180.0° |
| O23 | C21 | C22 | C17 | 179.9° | 179.7° |
| O23 | C21 | C22 | H14 | 0.1° | 0.3° |
| C25 | O24 | C20 | C21 | 170.8° | 180.0° |
| C25 | O24 | C20 | C19 | 9.6° | 0.1° |
| O24 | C25 | H16 | H17 | 120.0° | 120.0° |
| O24 | C25 | H16 | H18 | 120.0° | 120.0° |
| O24 | C25 | H17 | H18 | 120.0° | 119.9° |
| O24 | C20 | C21 | C19 | 179.6° | 179.9° |
| O24 | C20 | C21 | C22 | 179.8° | 179.7° |
| O24 | C20 | C19 | C18 | 179.7° | 180.0° |
| O24 | C20 | C19 | H13 | 0.3° | 0.1° |
| C20 | O24 | C25 | H16 | 180.0° | 59.9° |
| C20 | O24 | C25 | H17 | 60.0° | 60.1° |
| C20 | O24 | C25 | H18 | 60.0° | 180.0° |
| C20 | C21 | C22 | C17 | 0.2° | 0.5° |
| C21 | C20 | C19 | C18 | 0.1° | 0.1° |
| C21 | C20 | C19 | H13 | 179.9° | 180.0° |
| C20 | C21 | C22 | H14 | 179.9° | 180.0° |
| C20 | C21 | O23 | H15 | 180.0° | 90.0° |
| C22 | C21 | C20 | C19 | 0.2° | 0.2° |
| C21 | C22 | C17 | H14 | 180.0° | 179.4° |
| C21 | C22 | C17 | C18 | 0.0° | 0.5° |
| C21 | C22 | C17 | C16 | 175.2° | 179.7° |
| C22 | C21 | O23 | H15 | 0.1° | 89.7° |
| C20 | C19 | C18 | H13 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.1° | 0.1° |
| C20 | C19 | C18 | H12 | 179.9° | 180.0° |
| C22 | C17 | C18 | C19 | 0.1° | 0.2° |
| C22 | C17 | C18 | C16 | 175.2° | 179.8° |
| C22 | C17 | C16 | C07 | 145.7° | 40.3° |
| C22 | C17 | C16 | H10 | 34.3° | 139.6° |
| C22 | C17 | C18 | H12 | 179.8° | 179.7° |
| C19 | C18 | C17 | H12 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 175.0° | 180.0° |
| C18 | C17 | C16 | C07 | 29.4° | 139.9° |
| C18 | C17 | C16 | H10 | 150.6° | 40.2° |
| C17 | C18 | C19 | H13 | 179.9° | 180.0° |
| C18 | C17 | C22 | H14 | 180.0° | 180.0° |
| C17 | C16 | C07 | H10 | 180.0° | 179.9° |
| C17 | C16 | C07 | C08 | 38.4° | 20.0° |
| C17 | C16 | C07 | C04 | 142.3° | 160.0° |
| C16 | C17 | C18 | H12 | 5.0° | 0.1° |
| C16 | C17 | C22 | H14 | 4.9° | 0.3° |
| C11 | C12 | C13 | H7 | 180.0° | 179.9° |
| C12 | C11 | C08 | H6 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.7° | 0.1° |
| C12 | C11 | C08 | C07 | 163.9° | 180.0° |
| C12 | C11 | C08 | C09 | 0.9° | 0.0° |
| C11 | C12 | C13 | H8 | 179.3° | 180.0° |
| C13 | C12 | C11 | C08 | 0.1° | 0.0° |
| C12 | C13 | C14 | H8 | 180.0° | 180.0° |
| C12 | C13 | C14 | C09 | 0.3° | 0.0° |
| C13 | C12 | C11 | H6 | 179.9° | 180.0° |
| C12 | C13 | C14 | H9 | 179.7° | 179.9° |
| C11 | C08 | C07 | C16 | 17.6° | 13.6° |
| C11 | C08 | C07 | C09 | 163.0° | 180.0° |
| C11 | C08 | C07 | C04 | 161.7° | 166.3° |
| C11 | C08 | C09 | C14 | 1.3° | 0.1° |
| C11 | C08 | C09 | C10 | 161.7° | 179.9° |
| C08 | C11 | C12 | H7 | 179.8° | 180.0° |
| C16 | C07 | C08 | C04 | 179.2° | 180.0° |
| C16 | C07 | C08 | C09 | 179.4° | 166.4° |
| C16 | C07 | C04 | C03 | 17.3° | 13.5° |
| C16 | C07 | C04 | C05 | 179.3° | 166.5° |
| C13 | C14 | C09 | C08 | 0.7° | 0.1° |
| C13 | C14 | C09 | H9 | 180.0° | 179.9° |
| C13 | C14 | C09 | C10 | 162.6° | 179.9° |
| C14 | C13 | C12 | H7 | 179.3° | 180.0° |
| C07 | C08 | C09 | C14 | 163.9° | 179.9° |
| C07 | C08 | C09 | C10 | 1.0° | 0.1° |
| C08 | C07 | C04 | C03 | 161.9° | 166.4° |
| C08 | C07 | C04 | C05 | 1.4° | 13.5° |
| C07 | C08 | C11 | H6 | 16.1° | 0.0° |
| C08 | C07 | C16 | H10 | 141.6° | 160.0° |
| C09 | C08 | C07 | C04 | 1.4° | 13.7° |
| C08 | C09 | C14 | C10 | 163.3° | 179.9° |
| C08 | C09 | C10 | C05 | 0.6° | 13.5° |
| C08 | C09 | C10 | O15 | 179.2° | 166.4° |
| C09 | C08 | C11 | H6 | 179.1° | 180.0° |
| C08 | C09 | C14 | H9 | 179.3° | 180.0° |
| C07 | C04 | C03 | C05 | 163.4° | 180.0° |
| C07 | C04 | C03 | C02 | 164.7° | 179.9° |
| C07 | C04 | C05 | C10 | 1.1° | 0.1° |
| C07 | C04 | C05 | C06 | 164.6° | 179.9° |
| C07 | C04 | C03 | H3 | 15.3° | 0.1° |
| C04 | C07 | C16 | H10 | 37.7° | 19.9° |
| C14 | C09 | C10 | C05 | 164.0° | 166.4° |
| C14 | C09 | C10 | O15 | 15.8° | 13.6° |
| C09 | C14 | C13 | H8 | 179.7° | 180.0° |
| C09 | C10 | C05 | C04 | 0.7° | 13.6° |
| C09 | C10 | C05 | O15 | 179.8° | 180.0° |
| C09 | C10 | C05 | C06 | 164.5° | 166.4° |
| C10 | C09 | C14 | H9 | 17.4° | 0.1° |
| C04 | C03 | C02 | H3 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.2° | 0.0° |
| C03 | C04 | C05 | C10 | 161.9° | 179.9° |
| C03 | C04 | C05 | C06 | 1.6° | 0.1° |
| C04 | C03 | C02 | H2 | 179.7° | 179.9° |
| C02 | C03 | C04 | C05 | 1.3° | 0.1° |
| C03 | C02 | C01 | H2 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.6° | 0.0° |
| C03 | C02 | C01 | H1 | 179.4° | 179.8° |
| C04 | C05 | C10 | C06 | 163.8° | 180.0° |
| C04 | C05 | C10 | O15 | 179.1° | 166.3° |
| C04 | C05 | C06 | C01 | 0.8° | 0.0° |
| C05 | C04 | C03 | H3 | 178.7° | 179.9° |
| C04 | C05 | C06 | H4 | 179.2° | 179.7° |
| C02 | C01 | C06 | C05 | 0.3° | 0.0° |
| C02 | C01 | C06 | H1 | 180.0° | 179.8° |
| C01 | C02 | C03 | H3 | 179.8° | 180.0° |
| C02 | C01 | C06 | H4 | 179.7° | 179.7° |
| C10 | C05 | C06 | C01 | 163.0° | 180.0° |
| C10 | C05 | C06 | H4 | 17.0° | 0.3° |
| O15 | C10 | C05 | C06 | 15.3° | 13.7° |
| C05 | C06 | C01 | H4 | 180.0° | 179.7° |
| C05 | C06 | C01 | H1 | 179.7° | 179.8° |
| C06 | C01 | C02 | H2 | 179.5° | 180.0° |
| H1 | C01 | C02 | H2 | 0.6° | 0.2° |
| H1 | C01 | C06 | H4 | 0.3° | 0.1° |
| H2 | C02 | C03 | H3 | 0.2° | 0.0° |
| H6 | C11 | C12 | H7 | 0.2° | 0.0° |
| H7 | C12 | C13 | H8 | 0.7° | 0.0° |
| H8 | C13 | C14 | H9 | 0.2° | 0.0° |
| H12 | C18 | C19 | H13 | 0.1° | 0.1° |
| H16 | C25 | H17 | H18 | 120.0° | 120.0° |
