FD8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C8 | sing | 1.35Å | 1.34Å | |
| N | C9 | sing | 1.40Å | 1.36Å | |
| C1 | F1 | sing | 1.40Å | 1.32Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | F2 | sing | 1.40Å | 1.32Å | |
| C1 | F3 | sing | 1.40Å | 1.32Å | |
| O1 | C8 | doub | 1.22Å | 1.22Å | |
| C2 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| O2 | C13 | sing | 1.36Å | 1.37Å | |
| O2 | C15 | sing | 1.36Å | 1.43Å | |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.48Å | 1.50Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| F4 | C16 | sing | 1.35Å | 1.37Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| F5 | C17 | sing | 1.35Å | 1.37Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| F6 | C18 | sing | 1.35Å | 1.37Å | |
| F7 | C19 | sing | 1.35Å | 1.37Å | |
| F8 | C20 | sing | 1.35Å | 1.37Å | |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.53Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.53Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.53Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.53Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.53Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.53Å | Aromatic |
| N | HN | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N | C9 | 125.9° | 120.0° |
| N | C8 | O1 | 123.9° | 120.0° |
| N | C8 | C3 | 117.9° | 120.0° |
| C8 | N | HN | 117.1° | 120.0° |
| N | C9 | C10 | 118.3° | 120.0° |
| N | C9 | C14 | 122.5° | 120.1° |
| C9 | N | HN | 117.0° | 120.0° |
| F1 | C1 | C2 | 109.9° | 109.5° |
| F1 | C1 | F2 | 109.5° | 109.5° |
| F1 | C1 | F3 | 108.6° | 109.5° |
| C2 | C1 | F2 | 109.9° | 109.5° |
| C2 | C1 | F3 | 110.2° | 109.5° |
| C1 | C2 | C3 | 122.2° | 120.1° |
| C1 | C2 | C7 | 118.8° | 120.1° |
| F2 | C1 | F3 | 108.8° | 109.5° |
| O1 | C8 | C3 | 118.2° | 120.0° |
| C3 | C2 | C7 | 119.0° | 119.8° |
| C2 | C3 | C4 | 119.9° | 119.7° |
| C2 | C3 | C8 | 122.7° | 120.1° |
| C2 | C7 | C6 | 120.7° | 120.1° |
| C2 | C7 | H7 | 119.6° | 119.9° |
| C13 | O2 | C15 | 121.5° | 118.0° |
| O2 | C13 | C12 | 121.0° | 120.0° |
| O2 | C13 | C14 | 119.2° | 120.1° |
| O2 | C15 | C16 | 119.4° | 120.0° |
| O2 | C15 | C20 | 120.9° | 120.0° |
| C4 | C3 | C8 | 117.4° | 120.2° |
| C3 | C4 | C5 | 120.5° | 119.9° |
| C3 | C4 | H4 | 119.7° | 120.0° |
| C4 | C5 | C6 | 119.7° | 120.2° |
| C5 | C4 | H4 | 119.7° | 120.1° |
| C4 | C5 | H5 | 120.2° | 119.9° |
| F4 | C16 | C15 | 119.8° | 120.0° |
| F4 | C16 | C17 | 120.1° | 120.0° |
| C5 | C6 | C7 | 120.1° | 120.3° |
| C6 | C5 | H5 | 120.2° | 119.9° |
| C5 | C6 | H6 | 119.9° | 119.9° |
| F5 | C17 | C16 | 120.0° | 119.9° |
| F5 | C17 | C18 | 119.9° | 120.0° |
| C7 | C6 | H6 | 119.9° | 119.8° |
| C6 | C7 | H7 | 119.7° | 119.9° |
| F6 | C18 | C17 | 120.0° | 120.0° |
| F6 | C18 | C19 | 120.1° | 120.0° |
| F7 | C19 | C18 | 120.2° | 120.0° |
| F7 | C19 | C20 | 119.8° | 120.0° |
| F8 | C20 | C15 | 120.0° | 120.0° |
| F8 | C20 | C19 | 119.8° | 120.0° |
| C10 | C9 | C14 | 119.1° | 119.9° |
| C9 | C10 | C11 | 120.6° | 120.0° |
| C9 | C10 | H10 | 119.7° | 119.9° |
| C9 | C14 | C13 | 120.6° | 119.9° |
| C9 | C14 | H14 | 119.7° | 120.0° |
| C10 | C11 | C12 | 119.9° | 120.2° |
| C11 | C10 | H10 | 119.7° | 120.0° |
| C10 | C11 | H11 | 120.1° | 119.9° |
| C11 | C12 | C13 | 120.0° | 120.1° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C11 | C12 | H12 | 120.0° | 119.9° |
| C12 | C13 | C14 | 119.8° | 119.9° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C13 | C14 | H14 | 119.7° | 120.1° |
| C16 | C15 | C20 | 119.7° | 119.9° |
| C15 | C16 | C17 | 120.2° | 120.0° |
| C15 | C20 | C19 | 120.2° | 120.0° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C17 | C18 | C19 | 119.9° | 120.1° |
| C18 | C19 | C20 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | N | C9 | HN | 180.0° | 179.7° |
| N | C8 | O1 | C3 | 179.4° | 180.0° |
| N | C8 | C3 | C2 | 101.1° | 180.0° |
| N | C8 | C3 | C4 | 79.0° | 0.0° |
| C8 | N | C9 | C10 | 179.9° | 146.7° |
| C8 | N | C9 | C14 | 0.2° | 33.5° |
| C9 | N | C8 | O1 | 0.4° | 5.3° |
| C9 | N | C8 | C3 | 179.8° | 174.7° |
| N | C9 | C10 | C14 | 179.9° | 179.7° |
| N | C9 | C10 | C11 | 180.0° | 180.0° |
| N | C9 | C14 | C13 | 179.9° | 179.8° |
| N | C9 | C10 | H10 | 0.0° | 0.0° |
| N | C9 | C14 | H14 | 0.1° | 0.0° |
| F1 | C1 | C2 | F2 | 120.5° | 120.0° |
| F1 | C1 | C2 | F3 | 119.7° | 120.0° |
| F1 | C1 | F2 | F3 | 118.6° | 120.0° |
| F1 | C1 | C2 | C3 | 60.0° | 180.0° |
| F1 | C1 | C2 | C7 | 120.1° | 0.2° |
| C2 | C1 | F2 | F3 | 120.7° | 120.0° |
| C1 | C2 | C3 | C7 | 179.9° | 179.7° |
| C1 | C2 | C3 | C4 | 179.9° | 180.0° |
| C1 | C2 | C3 | C8 | 0.0° | 0.1° |
| C1 | C2 | C7 | C6 | 179.9° | 179.7° |
| C1 | C2 | C7 | H7 | 0.1° | 0.1° |
| F2 | C1 | C2 | C3 | 60.5° | 60.1° |
| F2 | C1 | C2 | C7 | 119.4° | 120.2° |
| F3 | C1 | C2 | C3 | 179.7° | 60.0° |
| F3 | C1 | C2 | C7 | 0.4° | 119.8° |
| O1 | C8 | C3 | C2 | 79.5° | 0.0° |
| O1 | C8 | C3 | C4 | 100.4° | 180.0° |
| O1 | C8 | N | HN | 179.6° | 174.4° |
| C2 | C3 | C4 | C8 | 179.9° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C3 | C2 | C7 | C6 | 0.0° | 0.5° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C3 | C2 | C7 | H7 | 180.0° | 179.7° |
| C7 | C2 | C3 | C4 | 0.0° | 0.3° |
| C7 | C2 | C3 | C8 | 179.9° | 179.8° |
| C2 | C7 | C6 | C5 | 0.1° | 0.5° |
| C2 | C7 | C6 | H7 | 180.0° | 179.8° |
| C2 | C7 | C6 | H6 | 179.9° | 179.7° |
| O2 | C13 | C14 | C9 | 179.9° | 179.7° |
| O2 | C13 | C12 | C11 | 179.8° | 180.0° |
| O2 | C13 | C12 | C14 | 179.9° | 179.9° |
| C13 | O2 | C15 | C16 | 126.4° | 89.9° |
| C13 | O2 | C15 | C20 | 53.5° | 90.3° |
| O2 | C13 | C12 | H12 | 0.2° | 0.1° |
| O2 | C13 | C14 | H14 | 0.2° | 0.1° |
| O2 | C15 | C16 | F4 | 0.1° | 0.0° |
| O2 | C15 | C20 | F8 | 0.1° | 0.0° |
| C15 | O2 | C13 | C12 | 58.8° | 0.1° |
| C15 | O2 | C13 | C14 | 121.1° | 179.8° |
| O2 | C15 | C16 | C20 | 179.9° | 179.8° |
| O2 | C15 | C16 | C17 | 179.9° | 180.0° |
| O2 | C15 | C20 | C19 | 179.9° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C8 | C3 | C4 | C5 | 179.9° | 179.9° |
| C3 | C8 | N | HN | 0.2° | 5.6° |
| C8 | C3 | C4 | H4 | 0.1° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.2° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| F4 | C16 | C17 | F5 | 0.0° | 0.0° |
| F4 | C16 | C15 | C17 | 180.0° | 180.0° |
| F4 | C16 | C15 | C20 | 179.9° | 179.8° |
| F4 | C16 | C17 | C18 | 180.0° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.8° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| C5 | C6 | C7 | H7 | 179.9° | 179.7° |
| F5 | C17 | C18 | F6 | 0.0° | 0.1° |
| F5 | C17 | C16 | C15 | 180.0° | 180.0° |
| F5 | C17 | C16 | C18 | 179.9° | 180.0° |
| F5 | C17 | C18 | C19 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 179.9° | 179.7° |
| F6 | C18 | C19 | F7 | 0.0° | 0.1° |
| F6 | C18 | C17 | C16 | 180.0° | 180.0° |
| F6 | C18 | C17 | C19 | 180.0° | 179.9° |
| F6 | C18 | C19 | C20 | 180.0° | 179.8° |
| F7 | C19 | C20 | F8 | 0.0° | 0.0° |
| F7 | C19 | C20 | C15 | 180.0° | 179.7° |
| F7 | C19 | C18 | C17 | 180.0° | 180.0° |
| F7 | C19 | C18 | C20 | 180.0° | 179.7° |
| F8 | C20 | C15 | C16 | 180.0° | 179.7° |
| F8 | C20 | C15 | C19 | 180.0° | 179.8° |
| F8 | C20 | C19 | C18 | 180.0° | 179.7° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.0° | 0.1° |
| C10 | C9 | C14 | C13 | 0.0° | 0.5° |
| C10 | C9 | N | HN | 0.1° | 32.9° |
| C9 | C10 | C11 | H11 | 180.0° | 180.0° |
| C10 | C9 | C14 | H14 | 180.0° | 179.7° |
| C14 | C9 | C10 | C11 | 0.0° | 0.3° |
| C9 | C14 | C13 | C12 | 0.1° | 0.4° |
| C9 | C14 | C13 | H14 | 180.0° | 179.8° |
| C14 | C9 | N | HN | 179.8° | 146.8° |
| C14 | C9 | C10 | H10 | 180.0° | 179.8° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C10 | C11 | C12 | H12 | 179.9° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C12 | C11 | C10 | H10 | 180.0° | 179.9° |
| C13 | C12 | C11 | H11 | 179.9° | 180.0° |
| C12 | C13 | C14 | H14 | 179.9° | 179.8° |
| C14 | C13 | C12 | H12 | 179.9° | 179.8° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C16 | C15 | C20 | C19 | 0.1° | 0.5° |
| C20 | C15 | C16 | C17 | 0.1° | 0.2° |
| C15 | C20 | C19 | C18 | 0.0° | 0.5° |
| C16 | C17 | C18 | C19 | 0.0° | 0.1° |
| C17 | C18 | C19 | C20 | 0.0° | 0.3° |
| H4 | C4 | C5 | H5 | 0.0° | 0.1° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| H6 | C6 | C7 | H7 | 0.1° | 0.1° |
| H10 | C10 | C11 | H11 | 0.1° | 0.0° |
| H11 | C11 | C12 | H12 | 0.1° | 0.1° |
