C8U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F20 | C18 | sing | 1.40Å | 1.36Å | |
| O10 | N09 | doub | 1.22Å | 1.17Å | |
| F19 | C18 | sing | 1.40Å | 1.35Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.52Å | |
| C18 | F21 | sing | 1.40Å | 1.36Å | |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| N09 | O11 | sing | 1.22Å | 1.40Å | |
| N09 | C05 | sing | 1.48Å | 1.45Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C04 | sing | 1.51Å | 1.52Å | |
| C05 | C04 | sing | 1.50Å | 1.53Å | |
| C05 | C06 | doub | 1.31Å | 1.52Å | |
| C08 | C06 | sing | 1.51Å | 1.53Å | |
| C04 | C03 | sing | 1.50Å | 1.53Å | |
| C06 | N07 | sing | 1.39Å | 1.44Å | |
| C03 | C22 | sing | 1.41Å | 1.52Å | |
| C03 | C02 | doub | 1.35Å | 1.52Å | |
| N07 | C02 | sing | 1.37Å | 1.45Å | |
| O24 | C25 | sing | 1.43Å | 1.40Å | |
| O24 | C22 | sing | 1.35Å | 1.39Å | |
| C22 | O23 | doub | 1.22Å | 1.18Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| N07 | H9 | sing | 0.97Å | 1.00Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F20 | C18 | F19 | 108.7° | 109.5° |
| F20 | C18 | C17 | 109.1° | 109.4° |
| F20 | C18 | F21 | 109.9° | 109.5° |
| O10 | N09 | O11 | 119.6° | 120.0° |
| O10 | N09 | C05 | 120.2° | 120.0° |
| F19 | C18 | C17 | 108.1° | 109.5° |
| F19 | C18 | F21 | 108.1° | 109.5° |
| C15 | C16 | C17 | 120.4° | 120.0° |
| C16 | C15 | C14 | 120.0° | 120.0° |
| C16 | C15 | H2 | 120.0° | 120.0° |
| C15 | C16 | H14 | 119.8° | 120.0° |
| C16 | C17 | C18 | 117.6° | 120.0° |
| C16 | C17 | C12 | 119.9° | 120.0° |
| C17 | C16 | H14 | 119.8° | 120.0° |
| C17 | C18 | F21 | 112.9° | 109.4° |
| C18 | C17 | C12 | 122.5° | 120.0° |
| C15 | C14 | C13 | 120.0° | 120.0° |
| C14 | C15 | H2 | 120.0° | 120.0° |
| C15 | C14 | H13 | 120.0° | 120.0° |
| C17 | C12 | C13 | 119.4° | 120.0° |
| C17 | C12 | C04 | 121.8° | 120.0° |
| O11 | N09 | C05 | 120.3° | 120.0° |
| N09 | C05 | C04 | 119.6° | 119.1° |
| N09 | C05 | C06 | 119.5° | 119.1° |
| C14 | C13 | C12 | 120.4° | 120.0° |
| C14 | C13 | H1 | 119.8° | 120.0° |
| C13 | C14 | H13 | 120.0° | 120.0° |
| C13 | C12 | C04 | 118.8° | 120.0° |
| C12 | C13 | H1 | 119.8° | 120.0° |
| C12 | C04 | C05 | 101.0° | 109.1° |
| C12 | C04 | C03 | 114.7° | 109.2° |
| C12 | C04 | H6 | 109.5° | 109.2° |
| C04 | C05 | C06 | 119.0° | 121.8° |
| C05 | C04 | C03 | 112.3° | 110.9° |
| C05 | C04 | H6 | 109.5° | 109.2° |
| C05 | C06 | C08 | 119.6° | 119.5° |
| C05 | C06 | N07 | 119.7° | 121.0° |
| C08 | C06 | N07 | 119.6° | 119.5° |
| C06 | C08 | H10 | 109.5° | 109.5° |
| C06 | C08 | H11 | 109.5° | 109.5° |
| C06 | C08 | H12 | 109.5° | 109.5° |
| C04 | C03 | C22 | 120.7° | 119.3° |
| C04 | C03 | C02 | 119.6° | 121.3° |
| C03 | C04 | H6 | 109.5° | 109.3° |
| C06 | N07 | C02 | 120.2° | 120.2° |
| C06 | N07 | H9 | 119.9° | 120.0° |
| C22 | C03 | C02 | 119.6° | 119.4° |
| C03 | C22 | O24 | 120.2° | 120.0° |
| C03 | C22 | O23 | 120.1° | 120.0° |
| C03 | C02 | N07 | 118.5° | 120.5° |
| C03 | C02 | C01 | 119.3° | 119.7° |
| N07 | C02 | C01 | 119.5° | 119.8° |
| C02 | N07 | H9 | 119.9° | 119.9° |
| C25 | O24 | C22 | 113.6° | 117.0° |
| O24 | C25 | H15 | 109.5° | 109.5° |
| O24 | C25 | H16 | 109.4° | 109.5° |
| O24 | C25 | H17 | 109.4° | 109.5° |
| O24 | C22 | O23 | 119.7° | 120.0° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.4° | 109.4° |
| H4 | C01 | H5 | 109.5° | 109.4° |
| H10 | C08 | H11 | 109.5° | 109.4° |
| H10 | C08 | H12 | 109.5° | 109.4° |
| H11 | C08 | H12 | 109.4° | 109.5° |
| H15 | C25 | H16 | 109.5° | 109.5° |
| H15 | C25 | H17 | 109.5° | 109.4° |
| H16 | C25 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F20 | C18 | F19 | C17 | 118.3° | 120.0° |
| F20 | C18 | F19 | F21 | 119.2° | 120.0° |
| F20 | C18 | C17 | C16 | 86.4° | 120.0° |
| F20 | C18 | C17 | F21 | 122.5° | 120.0° |
| F20 | C18 | C17 | C12 | 93.1° | 60.0° |
| O10 | N09 | O11 | C05 | 179.9° | 179.9° |
| O10 | N09 | C05 | C04 | 113.2° | 94.8° |
| O10 | N09 | C05 | C06 | 82.6° | 85.2° |
| F19 | C18 | C17 | C16 | 31.6° | 120.0° |
| F19 | C18 | C17 | F21 | 119.5° | 120.0° |
| F19 | C18 | C17 | C12 | 148.9° | 60.0° |
| C15 | C16 | C17 | H14 | 180.0° | 179.8° |
| C15 | C16 | C17 | C18 | 179.8° | 179.8° |
| C16 | C15 | C14 | H2 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 0.3° | 0.2° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C16 | C15 | C14 | H13 | 179.8° | 179.9° |
| C16 | C17 | C18 | C12 | 179.5° | 180.0° |
| C16 | C17 | C18 | F21 | 151.0° | 0.0° |
| C17 | C16 | C15 | C14 | 0.2° | 0.2° |
| C16 | C17 | C12 | C13 | 0.4° | 0.0° |
| C16 | C17 | C12 | C04 | 179.9° | 180.0° |
| C17 | C16 | C15 | H2 | 179.8° | 179.8° |
| C18 | C17 | C12 | C13 | 179.9° | 180.0° |
| C18 | C17 | C12 | C04 | 0.4° | 0.0° |
| C18 | C17 | C16 | H14 | 0.2° | 0.0° |
| F21 | C18 | C17 | C12 | 29.4° | 180.0° |
| C15 | C14 | C13 | H13 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.2° | 0.3° |
| C15 | C14 | C13 | H1 | 179.7° | 180.0° |
| C14 | C15 | C16 | H14 | 179.8° | 180.0° |
| C17 | C12 | C13 | C14 | 0.3° | 0.3° |
| C17 | C12 | C13 | C04 | 179.7° | 180.0° |
| C17 | C12 | C04 | C05 | 118.9° | 118.6° |
| C17 | C12 | C04 | C03 | 120.1° | 120.0° |
| C17 | C12 | C13 | H1 | 179.6° | 180.0° |
| C17 | C12 | C04 | H6 | 3.4° | 0.7° |
| C12 | C17 | C16 | H14 | 179.7° | 180.0° |
| O11 | N09 | C05 | C04 | 66.7° | 85.3° |
| O11 | N09 | C05 | C06 | 97.4° | 94.7° |
| N09 | C05 | C04 | C12 | 100.2° | 75.7° |
| N09 | C05 | C04 | C06 | 164.2° | 180.0° |
| N09 | C05 | C06 | C08 | 28.9° | 0.2° |
| N09 | C05 | C04 | C03 | 137.1° | 164.0° |
| N09 | C05 | C06 | N07 | 163.3° | 179.5° |
| N09 | C05 | C04 | H6 | 15.3° | 43.5° |
| C14 | C13 | C12 | H1 | 180.0° | 179.8° |
| C14 | C13 | C12 | C04 | 179.9° | 179.7° |
| C13 | C14 | C15 | H2 | 179.9° | 180.0° |
| C13 | C12 | C04 | C05 | 61.4° | 61.4° |
| C13 | C12 | C04 | C03 | 59.6° | 60.0° |
| C13 | C12 | C04 | H6 | 176.8° | 179.3° |
| C12 | C13 | C14 | H13 | 179.8° | 179.7° |
| C12 | C04 | C05 | C03 | 122.7° | 120.3° |
| C12 | C04 | C05 | H6 | 115.5° | 119.3° |
| C12 | C04 | C05 | C06 | 95.5° | 104.2° |
| C12 | C04 | C03 | H6 | 123.6° | 119.3° |
| C12 | C04 | C03 | C22 | 96.3° | 75.9° |
| C12 | C04 | C03 | C02 | 80.8° | 104.2° |
| C04 | C12 | C13 | H1 | 0.1° | 0.0° |
| C04 | C05 | C06 | C08 | 166.8° | 179.8° |
| C05 | C04 | C03 | H6 | 121.8° | 120.4° |
| C04 | C05 | C06 | N07 | 0.9° | 0.5° |
| C05 | C04 | C03 | C22 | 149.1° | 163.9° |
| C05 | C04 | C03 | C02 | 33.8° | 16.1° |
| C05 | C06 | C08 | N07 | 167.8° | 179.7° |
| C06 | C05 | C04 | C03 | 27.2° | 16.0° |
| C05 | C06 | N07 | C02 | 21.5° | 17.2° |
| C06 | C05 | C04 | H6 | 149.0° | 136.5° |
| C05 | C06 | N07 | H9 | 158.5° | 162.3° |
| C05 | C06 | C08 | H10 | 180.0° | 84.6° |
| C05 | C06 | C08 | H11 | 60.0° | 155.4° |
| C05 | C06 | C08 | H12 | 60.0° | 35.4° |
| C08 | C06 | N07 | C02 | 170.7° | 162.5° |
| C08 | C06 | N07 | H9 | 9.3° | 18.0° |
| C06 | C08 | H10 | H11 | 120.0° | 120.0° |
| C06 | C08 | H10 | H12 | 120.0° | 120.0° |
| C06 | C08 | H11 | H12 | 120.0° | 120.0° |
| C04 | C03 | C22 | C02 | 177.1° | 180.0° |
| C04 | C03 | C02 | N07 | 13.9° | 0.6° |
| C04 | C03 | C22 | O24 | 44.1° | 100.5° |
| C04 | C03 | C22 | O23 | 136.2° | 79.5° |
| C04 | C03 | C02 | C01 | 175.2° | 179.5° |
| C06 | N07 | C02 | C03 | 15.0° | 17.0° |
| C06 | N07 | C02 | H9 | 180.0° | 179.5° |
| C06 | N07 | C02 | C01 | 146.2° | 162.8° |
| N07 | C06 | C08 | H10 | 12.2° | 95.1° |
| N07 | C06 | C08 | H11 | 107.8° | 24.9° |
| N07 | C06 | C08 | H12 | 132.2° | 144.9° |
| C22 | C03 | C02 | N07 | 169.0° | 179.3° |
| C03 | C22 | O24 | C25 | 144.1° | 180.0° |
| C03 | C22 | O24 | O23 | 179.8° | 180.0° |
| C22 | C03 | C02 | C01 | 7.7° | 0.5° |
| C22 | C03 | C04 | H6 | 27.3° | 43.4° |
| C03 | C02 | N07 | C01 | 161.3° | 179.8° |
| C02 | C03 | C22 | O24 | 133.0° | 79.6° |
| C02 | C03 | C22 | O23 | 46.7° | 100.5° |
| C03 | C02 | C01 | H3 | 180.0° | 94.2° |
| C03 | C02 | C01 | H4 | 60.0° | 145.8° |
| C03 | C02 | C01 | H5 | 60.0° | 25.8° |
| C02 | C03 | C04 | H6 | 155.6° | 136.5° |
| C03 | C02 | N07 | H9 | 165.0° | 162.5° |
| N07 | C02 | C01 | H3 | 18.9° | 86.0° |
| N07 | C02 | C01 | H4 | 101.1° | 34.1° |
| N07 | C02 | C01 | H5 | 138.9° | 154.0° |
| C25 | O24 | C22 | O23 | 36.1° | 0.1° |
| O24 | C25 | H15 | H16 | 120.0° | 120.0° |
| O24 | C25 | H15 | H17 | 120.0° | 120.0° |
| O24 | C25 | H16 | H17 | 120.0° | 120.0° |
| C22 | O24 | C25 | H15 | 180.0° | 180.0° |
| C22 | O24 | C25 | H16 | 60.0° | 60.0° |
| C22 | O24 | C25 | H17 | 60.0° | 60.1° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C01 | C02 | N07 | H9 | 33.7° | 17.7° |
| H1 | C13 | C14 | H13 | 0.3° | 0.1° |
| H2 | C15 | C14 | H13 | 0.2° | 0.0° |
| H2 | C15 | C16 | H14 | 0.2° | 0.0° |
| H3 | C01 | H4 | H5 | 120.0° | 119.9° |
| H10 | C08 | H11 | H12 | 120.0° | 120.0° |
| H15 | C25 | H16 | H17 | 120.0° | 120.0° |
