F8A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F27 | C24 | sing | 1.40Å | 1.32Å | |
| C24 | F25 | sing | 1.40Å | 1.29Å | |
| C24 | F26 | sing | 1.40Å | 1.31Å | |
| C24 | C19 | sing | 1.51Å | 1.49Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.49Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| C17 | N9 | sing | 1.47Å | 1.46Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.37Å | 1.36Å | Aromatic |
| N9 | C1 | sing | 1.36Å | 1.37Å | Aromatic |
| C16 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | doub | 1.35Å | 1.48Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C7 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.45Å | 1.47Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.51Å | Aromatic |
| C1 | C6 | doub | 1.42Å | 1.47Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | C2 | sing | 1.47Å | 1.52Å | |
| O11 | C10 | doub | 1.22Å | 1.33Å | |
| C10 | O12 | sing | 1.35Å | 1.22Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F27 | C24 | F25 | 109.4° | 109.5° |
| F27 | C24 | F26 | 109.5° | 109.5° |
| F27 | C24 | C19 | 109.4° | 109.5° |
| F25 | C24 | F26 | 109.5° | 109.5° |
| F25 | C24 | C19 | 109.5° | 109.5° |
| F26 | C24 | C19 | 109.5° | 109.4° |
| C24 | C19 | C20 | 119.6° | 120.0° |
| C24 | C19 | C18 | 120.9° | 120.0° |
| C20 | C19 | C18 | 119.4° | 120.0° |
| C19 | C20 | C21 | 118.5° | 120.0° |
| C19 | C20 | H20 | 120.7° | 120.0° |
| C19 | C18 | C23 | 120.1° | 120.0° |
| C19 | C18 | C17 | 118.0° | 120.0° |
| C21 | C20 | H20 | 120.7° | 120.0° |
| C20 | C21 | C22 | 122.5° | 120.0° |
| C20 | C21 | H21 | 118.7° | 120.0° |
| C22 | C21 | H21 | 118.8° | 120.0° |
| C21 | C22 | C23 | 120.7° | 120.0° |
| C21 | C22 | H22 | 119.6° | 120.0° |
| C23 | C22 | H22 | 119.6° | 120.0° |
| C22 | C23 | C18 | 118.7° | 120.0° |
| C22 | C23 | H23 | 120.6° | 120.0° |
| C18 | C23 | H23 | 120.7° | 120.0° |
| C23 | C18 | C17 | 121.9° | 120.0° |
| C18 | C17 | N9 | 112.0° | 109.5° |
| C18 | C17 | H17 | 108.6° | 109.5° |
| C18 | C17 | H17A | 108.1° | 109.5° |
| N9 | C17 | H17 | 108.7° | 109.4° |
| N9 | C17 | H17A | 108.1° | 109.4° |
| C17 | N9 | C8 | 124.0° | 125.1° |
| C17 | N9 | C1 | 124.3° | 125.0° |
| H17 | C17 | H17A | 111.5° | 109.5° |
| C8 | N9 | C1 | 111.7° | 109.9° |
| N9 | C8 | C16 | 130.1° | 126.6° |
| N9 | C8 | C7 | 109.0° | 109.8° |
| N9 | C1 | C2 | 131.6° | 132.0° |
| N9 | C1 | C6 | 108.5° | 107.4° |
| C16 | C8 | C7 | 120.9° | 123.7° |
| C8 | C16 | C15 | 107.4° | 108.6° |
| C8 | C16 | H16 | 110.1° | 109.6° |
| C8 | C16 | H16A | 110.6° | 109.6° |
| C8 | C7 | C13 | 125.0° | 124.5° |
| C8 | C7 | C6 | 104.9° | 107.0° |
| C15 | C16 | H16 | 110.1° | 109.6° |
| C15 | C16 | H16A | 110.6° | 109.6° |
| C16 | C15 | C14 | 111.1° | 109.4° |
| C16 | C15 | H15 | 108.9° | 109.5° |
| C16 | C15 | H15A | 108.6° | 109.5° |
| H16 | C16 | H16A | 107.9° | 109.7° |
| C14 | C15 | H15 | 108.9° | 109.5° |
| C14 | C15 | H15A | 108.6° | 109.5° |
| C15 | C14 | C13 | 108.0° | 109.3° |
| C15 | C14 | H14 | 110.0° | 109.5° |
| C15 | C14 | H14A | 110.3° | 109.5° |
| H15 | C15 | H15A | 110.7° | 109.4° |
| C13 | C14 | H14 | 110.0° | 109.5° |
| C13 | C14 | H14A | 110.3° | 109.5° |
| C14 | C13 | C7 | 104.1° | 108.6° |
| C14 | C13 | H13 | 111.3° | 109.6° |
| C14 | C13 | H13A | 112.4° | 109.6° |
| H14 | C14 | H14A | 108.3° | 109.5° |
| C7 | C13 | H13 | 111.3° | 109.6° |
| C7 | C13 | H13A | 112.4° | 109.8° |
| C13 | C7 | C6 | 130.1° | 128.5° |
| H13 | C13 | H13A | 105.4° | 109.6° |
| C7 | C6 | C1 | 105.9° | 106.0° |
| C7 | C6 | C5 | 133.9° | 132.7° |
| C2 | C1 | C6 | 119.9° | 120.6° |
| C1 | C2 | C3 | 114.7° | 116.8° |
| C1 | C2 | C10 | 130.7° | 121.6° |
| C1 | C6 | C5 | 120.2° | 121.4° |
| C6 | C5 | C4 | 118.6° | 117.1° |
| C6 | C5 | H5 | 120.7° | 121.5° |
| C4 | C5 | H5 | 120.7° | 121.4° |
| C5 | C4 | C3 | 123.6° | 122.1° |
| C5 | C4 | H4 | 118.2° | 118.9° |
| C3 | C4 | H4 | 118.2° | 118.9° |
| C4 | C3 | C2 | 123.0° | 122.1° |
| C4 | C3 | H3 | 118.5° | 119.0° |
| C2 | C3 | H3 | 118.5° | 118.9° |
| C3 | C2 | C10 | 114.5° | 121.6° |
| C2 | C10 | O11 | 125.2° | 120.0° |
| C2 | C10 | O12 | 118.5° | 120.0° |
| O11 | C10 | O12 | 116.3° | 120.0° |
| C10 | O12 | HO12 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F27 | C24 | F25 | F26 | 120.0° | 120.1° |
| F27 | C24 | F25 | C19 | 119.9° | 120.0° |
| F27 | C24 | F26 | C19 | 119.9° | 120.0° |
| F27 | C24 | C19 | C20 | 5.0° | 3.9° |
| F27 | C24 | C19 | C18 | 171.8° | 176.4° |
| F25 | C24 | F26 | C19 | 120.1° | 120.0° |
| F25 | C24 | C19 | C20 | 115.0° | 116.1° |
| F25 | C24 | C19 | C18 | 68.3° | 63.7° |
| F26 | C24 | C19 | C20 | 125.0° | 123.9° |
| F26 | C24 | C19 | C18 | 51.8° | 56.4° |
| C24 | C19 | C20 | C18 | 176.8° | 179.7° |
| C24 | C19 | C20 | C21 | 179.1° | 180.0° |
| C24 | C19 | C20 | H20 | 0.9° | 0.1° |
| C24 | C19 | C18 | C23 | 178.5° | 179.8° |
| C24 | C19 | C18 | C17 | 2.4° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 1.3° | 0.0° |
| C19 | C20 | C21 | H21 | 178.7° | 180.0° |
| C20 | C19 | C18 | C23 | 1.7° | 0.5° |
| C20 | C19 | C18 | C17 | 179.2° | 179.7° |
| C18 | C19 | C20 | C21 | 2.2° | 0.3° |
| C18 | C19 | C20 | H20 | 177.7° | 179.8° |
| C19 | C18 | C23 | C22 | 0.1° | 0.4° |
| C19 | C18 | C23 | C17 | 179.1° | 179.8° |
| C19 | C18 | C23 | H23 | 179.9° | 179.7° |
| C19 | C18 | C17 | N9 | 157.5° | 77.8° |
| C19 | C18 | C17 | H17 | 37.5° | 162.3° |
| C19 | C18 | C17 | H17A | 83.6° | 42.2° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C20 | C21 | C22 | H22 | 179.7° | 180.0° |
| H20 | C20 | C21 | C22 | 178.7° | 180.0° |
| H20 | C20 | C21 | H21 | 1.3° | 0.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C18 | 0.9° | 0.2° |
| C21 | C22 | C23 | H23 | 179.1° | 180.0° |
| H21 | C21 | C22 | C23 | 179.7° | 180.0° |
| H21 | C21 | C22 | H22 | 0.3° | 0.0° |
| C22 | C23 | C18 | H23 | 180.0° | 179.8° |
| C22 | C23 | C18 | C17 | 179.2° | 179.8° |
| H22 | C22 | C23 | C18 | 179.1° | 179.8° |
| H22 | C22 | C23 | H23 | 0.9° | 0.0° |
| C23 | C18 | C17 | N9 | 21.6° | 102.0° |
| C23 | C18 | C17 | H17 | 141.6° | 18.0° |
| C23 | C18 | C17 | H17A | 97.3° | 138.0° |
| H23 | C23 | C18 | C17 | 0.8° | 0.1° |
| C18 | C17 | N9 | H17 | 120.0° | 120.0° |
| C18 | C17 | N9 | H17A | 118.9° | 120.0° |
| C18 | C17 | H17 | H17A | 119.0° | 120.1° |
| C18 | C17 | N9 | C8 | 79.0° | 11.5° |
| C18 | C17 | N9 | C1 | 101.6° | 168.9° |
| N9 | C17 | H17 | H17A | 119.0° | 119.9° |
| C17 | N9 | C8 | C1 | 179.4° | 179.7° |
| C17 | N9 | C8 | C16 | 0.9° | 0.0° |
| C17 | N9 | C8 | C7 | 179.3° | 179.9° |
| C17 | N9 | C1 | C2 | 0.7° | 0.1° |
| C17 | N9 | C1 | C6 | 178.4° | 179.8° |
| H17 | C17 | N9 | C8 | 41.0° | 108.6° |
| H17 | C17 | N9 | C1 | 138.4° | 71.1° |
| H17A | C17 | N9 | C8 | 162.1° | 131.4° |
| H17A | C17 | N9 | C1 | 17.3° | 48.9° |
| N9 | C8 | C16 | C7 | 179.8° | 180.0° |
| N9 | C8 | C16 | C15 | 168.0° | 163.1° |
| N9 | C8 | C16 | H16 | 48.0° | 77.1° |
| N9 | C8 | C16 | H16A | 71.2° | 43.4° |
| N9 | C8 | C7 | C13 | 179.6° | 180.0° |
| N9 | C8 | C7 | C6 | 0.9° | 0.1° |
| C8 | N9 | C1 | C2 | 179.8° | 179.8° |
| C8 | N9 | C1 | C6 | 1.1° | 0.5° |
| C1 | N9 | C8 | C16 | 179.6° | 179.7° |
| C1 | N9 | C8 | C7 | 0.1° | 0.2° |
| N9 | C1 | C6 | C7 | 1.6° | 0.5° |
| N9 | C1 | C2 | C6 | 179.0° | 179.7° |
| N9 | C1 | C6 | C5 | 179.2° | 179.8° |
| N9 | C1 | C2 | C3 | 177.8° | 179.1° |
| N9 | C1 | C2 | C10 | 1.5° | 0.1° |
| C8 | C16 | C15 | H16 | 120.0° | 119.8° |
| C8 | C16 | C15 | H16A | 120.8° | 119.7° |
| C8 | C16 | H16 | H16A | 120.8° | 120.4° |
| C8 | C16 | C15 | C14 | 48.9° | 50.1° |
| C8 | C16 | C15 | H15 | 71.0° | 170.2° |
| C8 | C16 | C15 | H15A | 168.2° | 69.8° |
| C16 | C8 | C7 | C13 | 0.6° | 0.0° |
| C16 | C8 | C7 | C6 | 179.3° | 180.0° |
| C7 | C8 | C16 | C15 | 11.7° | 16.8° |
| C7 | C8 | C16 | H16 | 131.7° | 103.0° |
| C7 | C8 | C16 | H16A | 109.0° | 136.6° |
| C8 | C7 | C13 | C14 | 22.7° | 16.5° |
| C8 | C7 | C13 | C6 | 178.4° | 179.9° |
| C8 | C7 | C13 | H13 | 97.3° | 136.2° |
| C8 | C7 | C13 | H13A | 144.7° | 103.3° |
| C8 | C7 | C6 | C1 | 1.4° | 0.3° |
| C8 | C7 | C6 | C5 | 179.5° | 179.9° |
| C15 | C16 | H16 | H16A | 120.8° | 120.4° |
| C16 | C15 | C14 | H15 | 120.0° | 120.0° |
| C16 | C15 | C14 | H15A | 119.3° | 120.0° |
| C16 | C15 | H15 | H15A | 119.4° | 120.0° |
| C16 | C15 | C14 | C13 | 78.6° | 70.0° |
| C16 | C15 | C14 | H14 | 161.4° | 50.0° |
| C16 | C15 | C14 | H14A | 42.0° | 170.0° |
| H16 | C16 | C15 | C14 | 168.9° | 69.7° |
| H16 | C16 | C15 | H15 | 48.9° | 50.4° |
| H16 | C16 | C15 | H15A | 71.8° | 170.4° |
| H16A | C16 | C15 | C14 | 71.9° | 169.9° |
| H16A | C16 | C15 | H15 | 168.2° | 70.1° |
| H16A | C16 | C15 | H15A | 47.4° | 49.9° |
| C14 | C15 | H15 | H15A | 119.3° | 120.0° |
| C15 | C14 | C13 | H14 | 120.0° | 120.0° |
| C15 | C14 | C13 | H14A | 120.6° | 120.0° |
| C15 | C14 | H14 | H14A | 120.6° | 120.1° |
| C15 | C14 | C13 | C7 | 58.1° | 49.7° |
| C15 | C14 | C13 | H13 | 61.9° | 169.5° |
| C15 | C14 | C13 | H13A | 179.9° | 70.2° |
| H15 | C15 | C14 | C13 | 41.4° | 170.0° |
| H15 | C15 | C14 | H14 | 78.6° | 70.1° |
| H15 | C15 | C14 | H14A | 162.0° | 50.0° |
| H15A | C15 | C14 | C13 | 162.1° | 50.0° |
| H15A | C15 | C14 | H14 | 42.1° | 169.9° |
| H15A | C15 | C14 | H14A | 77.3° | 70.0° |
| C13 | C14 | H14 | H14A | 120.6° | 120.1° |
| C14 | C13 | C7 | H13 | 120.0° | 119.7° |
| C14 | C13 | C7 | H13A | 122.0° | 119.8° |
| C14 | C13 | H13 | H13A | 122.2° | 120.3° |
| C14 | C13 | C7 | C6 | 155.7° | 163.4° |
| H14 | C14 | C13 | C7 | 178.1° | 70.2° |
| H14 | C14 | C13 | H13 | 58.1° | 49.5° |
| H14 | C14 | C13 | H13A | 59.9° | 169.8° |
| H14A | C14 | C13 | C7 | 62.5° | 169.7° |
| H14A | C14 | C13 | H13 | 177.5° | 70.6° |
| H14A | C14 | C13 | H13A | 59.5° | 49.7° |
| C7 | C13 | H13 | H13A | 122.2° | 120.6° |
| C13 | C7 | C6 | C1 | 179.9° | 179.7° |
| C13 | C7 | C6 | C5 | 0.8° | 0.0° |
| H13 | C13 | C7 | C6 | 84.3° | 43.7° |
| H13A | C13 | C7 | C6 | 33.7° | 76.8° |
| C7 | C6 | C1 | C2 | 179.2° | 179.7° |
| C7 | C6 | C1 | C5 | 179.2° | 179.8° |
| C7 | C6 | C5 | C4 | 179.1° | 180.0° |
| C7 | C6 | C5 | H5 | 0.9° | 0.1° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C1 | C2 | C3 | C4 | 2.4° | 0.9° |
| C1 | C2 | C3 | C10 | 176.9° | 179.2° |
| C1 | C2 | C3 | H3 | 177.6° | 179.7° |
| C1 | C2 | C10 | O11 | 50.8° | 8.8° |
| C1 | C2 | C10 | O12 | 131.9° | 171.1° |
| C1 | C6 | C5 | C4 | 0.1° | 0.3° |
| C1 | C6 | C5 | H5 | 179.9° | 179.7° |
| C6 | C1 | C2 | C3 | 1.2° | 0.6° |
| C6 | C1 | C2 | C10 | 177.5° | 179.8° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 1.0° | 0.0° |
| C6 | C5 | C4 | H4 | 178.9° | 179.9° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 2.5° | 0.6° |
| C5 | C4 | C3 | H3 | 177.6° | 180.0° |
| H5 | C5 | C4 | C3 | 179.0° | 180.0° |
| H5 | C5 | C4 | H4 | 1.1° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.4° |
| C4 | C3 | C2 | C10 | 179.3° | 179.9° |
| H4 | C4 | C3 | C2 | 177.5° | 179.4° |
| H4 | C4 | C3 | H3 | 2.5° | 0.0° |
| C3 | C2 | C10 | O11 | 132.9° | 172.0° |
| C3 | C2 | C10 | O12 | 44.4° | 8.1° |
| H3 | C3 | C2 | C10 | 0.7° | 0.5° |
| C2 | C10 | O11 | O12 | 177.4° | 179.9° |
| C2 | C10 | O12 | HO12 | 177.6° | 180.0° |
| O11 | C10 | O12 | HO12 | 0.0° | 0.1° |
