A4F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C10 | sing | 1.36Å | 1.34Å | |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.40Å | Aromatic |
| C8 | O2 | sing | 1.35Å | 1.38Å | |
| C8 | C13 | doub | 1.41Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| O2 | C7 | sing | 1.35Å | 1.39Å | |
| C13 | C1 | sing | 1.47Å | 1.42Å | |
| O4 | C17 | doub | 1.22Å | 1.25Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | |
| C7 | C2 | sing | 1.41Å | 1.40Å | |
| C1 | C2 | doub | 1.41Å | 1.41Å | |
| C1 | C14 | sing | 1.47Å | 1.39Å | |
| C6 | C5 | sing | 1.40Å | 1.39Å | |
| C2 | C3 | sing | 1.41Å | 1.41Å | |
| C17 | C18 | sing | 1.48Å | 1.47Å | |
| C17 | O5 | sing | 1.35Å | 1.25Å | |
| C14 | C18 | doub | 1.41Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | O1 | doub | 1.23Å | 1.33Å | |
| C5 | C4 | sing | 1.41Å | 1.38Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.36Å | 1.39Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | N1 | sing | 1.39Å | 1.32Å | |
| O5 | H1 | sing | 0.97Å | 0.95Å | |
| C19 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C4 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C10 | C9 | 119.2° | 119.7° |
| O3 | C10 | C11 | 121.8° | 119.7° |
| C10 | O3 | H9 | 109.5° | 114.0° |
| C9 | C10 | C11 | 119.0° | 120.7° |
| C10 | C9 | C8 | 120.2° | 119.9° |
| C10 | C9 | H10 | 119.9° | 120.1° |
| C10 | C11 | C12 | 120.6° | 120.3° |
| C10 | C11 | H8 | 119.7° | 119.8° |
| C9 | C8 | O2 | 117.0° | 120.4° |
| C9 | C8 | C13 | 122.2° | 119.2° |
| C8 | C9 | H10 | 119.9° | 120.1° |
| C11 | C12 | C13 | 120.7° | 119.8° |
| C11 | C12 | H7 | 119.7° | 120.1° |
| C12 | C11 | H8 | 119.7° | 119.9° |
| O2 | C8 | C13 | 120.8° | 120.5° |
| C8 | O2 | C7 | 120.4° | 122.5° |
| C8 | C13 | C12 | 117.3° | 120.2° |
| C8 | C13 | C1 | 119.9° | 119.0° |
| C12 | C13 | C1 | 122.8° | 120.8° |
| C13 | C12 | H7 | 119.6° | 120.1° |
| O2 | C7 | C6 | 118.9° | 119.7° |
| O2 | C7 | C2 | 120.3° | 121.1° |
| C13 | C1 | C2 | 118.3° | 117.6° |
| C13 | C1 | C14 | 122.9° | 121.2° |
| O4 | C17 | C18 | 118.2° | 120.0° |
| O4 | C17 | O5 | 122.0° | 120.0° |
| C6 | C7 | C2 | 120.8° | 119.2° |
| C7 | C6 | C5 | 120.4° | 119.9° |
| C7 | C6 | H11 | 119.8° | 120.0° |
| C7 | C2 | C1 | 120.3° | 119.4° |
| C7 | C2 | C3 | 117.9° | 120.3° |
| C2 | C1 | C14 | 116.9° | 121.2° |
| C1 | C2 | C3 | 121.8° | 120.3° |
| C1 | C14 | C18 | 122.5° | 120.1° |
| C1 | C14 | C15 | 120.0° | 120.2° |
| C6 | C5 | O1 | 121.0° | 119.8° |
| C6 | C5 | C4 | 119.5° | 120.3° |
| C5 | C6 | H11 | 119.8° | 120.0° |
| C2 | C3 | C4 | 121.0° | 120.0° |
| C2 | C3 | H12 | 119.5° | 120.0° |
| C18 | C17 | O5 | 119.8° | 120.0° |
| C17 | C18 | C14 | 120.3° | 120.2° |
| C17 | C18 | C19 | 118.0° | 120.2° |
| C17 | O5 | H1 | 109.5° | 117.0° |
| C18 | C14 | C15 | 117.4° | 119.7° |
| C14 | C18 | C19 | 121.7° | 119.6° |
| C14 | C15 | C16 | 121.1° | 120.1° |
| C14 | C15 | H6 | 119.5° | 119.9° |
| C18 | C19 | C20 | 119.9° | 119.9° |
| C18 | C19 | H2 | 120.0° | 120.0° |
| O1 | C5 | C4 | 119.5° | 119.9° |
| C5 | C4 | C3 | 120.4° | 120.2° |
| C5 | C4 | H13 | 119.8° | 119.9° |
| C15 | C16 | C20 | 120.7° | 120.4° |
| C15 | C16 | H5 | 119.7° | 119.8° |
| C16 | C15 | H6 | 119.5° | 120.0° |
| C4 | C3 | H12 | 119.5° | 120.0° |
| C3 | C4 | H13 | 119.8° | 119.9° |
| C19 | C20 | C16 | 119.2° | 120.3° |
| C19 | C20 | N1 | 120.7° | 119.8° |
| C20 | C19 | H2 | 120.1° | 120.0° |
| C16 | C20 | N1 | 120.1° | 119.9° |
| C20 | C16 | H5 | 119.7° | 119.8° |
| C20 | N1 | H3 | 109.5° | 120.0° |
| C20 | N1 | H4 | 109.5° | 120.0° |
| H3 | N1 | H4 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C10 | C9 | C11 | 179.7° | 179.9° |
| O3 | C10 | C9 | C8 | 179.7° | 180.0° |
| O3 | C10 | C11 | C12 | 179.4° | 179.9° |
| O3 | C10 | C11 | H8 | 0.5° | 0.1° |
| O3 | C10 | C9 | H10 | 0.3° | 0.0° |
| C10 | C9 | C8 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.3° | 0.0° |
| C10 | C9 | C8 | O2 | 179.7° | 180.0° |
| C10 | C9 | C8 | C13 | 0.3° | 0.0° |
| C9 | C10 | C11 | H8 | 179.7° | 180.0° |
| C9 | C10 | O3 | H9 | 180.0° | 90.0° |
| C11 | C10 | C9 | C8 | 0.0° | 0.1° |
| C10 | C11 | C12 | H8 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.1° |
| C10 | C11 | C12 | H7 | 179.8° | 180.0° |
| C11 | C10 | O3 | H9 | 0.3° | 89.9° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C9 | C8 | O2 | C13 | 179.4° | 180.0° |
| C9 | C8 | C13 | C12 | 0.4° | 0.0° |
| C9 | C8 | O2 | C7 | 179.7° | 180.0° |
| C9 | C8 | C13 | C1 | 179.5° | 179.9° |
| C11 | C12 | C13 | C8 | 0.1° | 0.1° |
| C11 | C12 | C13 | H7 | 180.0° | 179.9° |
| C11 | C12 | C13 | C1 | 179.7° | 180.0° |
| O2 | C8 | C13 | C12 | 179.7° | 180.0° |
| O2 | C8 | C13 | C1 | 0.1° | 0.0° |
| C8 | O2 | C7 | C6 | 179.9° | 180.0° |
| C8 | O2 | C7 | C2 | 0.2° | 0.1° |
| O2 | C8 | C9 | H10 | 0.3° | 0.0° |
| C8 | C13 | C12 | C1 | 179.8° | 179.9° |
| C13 | C8 | O2 | C7 | 0.3° | 0.0° |
| C8 | C13 | C1 | C2 | 0.3° | 0.1° |
| C8 | C13 | C1 | C14 | 163.4° | 179.7° |
| C8 | C13 | C12 | H7 | 179.9° | 180.0° |
| C13 | C8 | C9 | H10 | 179.7° | 180.0° |
| C12 | C13 | C1 | C2 | 179.9° | 180.0° |
| C12 | C13 | C1 | C14 | 16.4° | 0.4° |
| C13 | C12 | C11 | H8 | 179.8° | 179.9° |
| O2 | C7 | C6 | C2 | 179.9° | 180.0° |
| O2 | C7 | C2 | C1 | 0.2° | 0.0° |
| O2 | C7 | C6 | C5 | 179.8° | 179.9° |
| O2 | C7 | C2 | C3 | 179.7° | 179.7° |
| O2 | C7 | C6 | H11 | 0.2° | 0.0° |
| C13 | C1 | C2 | C7 | 0.4° | 0.0° |
| C13 | C1 | C2 | C14 | 164.7° | 179.7° |
| C13 | C1 | C2 | C3 | 179.9° | 179.7° |
| C13 | C1 | C14 | C18 | 119.3° | 105.3° |
| C13 | C1 | C14 | C15 | 63.4° | 74.4° |
| C1 | C13 | C12 | H7 | 0.3° | 0.1° |
| O4 | C17 | C18 | O5 | 179.0° | 180.0° |
| O4 | C17 | C18 | C14 | 53.6° | 0.3° |
| O4 | C17 | C18 | C19 | 126.3° | 179.9° |
| O4 | C17 | O5 | H1 | 0.0° | 0.1° |
| C6 | C7 | C2 | C1 | 179.8° | 180.0° |
| C7 | C6 | C5 | H11 | 180.0° | 179.9° |
| C6 | C7 | C2 | C3 | 0.2° | 0.3° |
| C7 | C6 | C5 | O1 | 179.9° | 180.0° |
| C7 | C6 | C5 | C4 | 0.1° | 0.3° |
| C7 | C2 | C1 | C3 | 179.5° | 179.7° |
| C7 | C2 | C1 | C14 | 164.3° | 179.7° |
| C2 | C7 | C6 | C5 | 0.2° | 0.0° |
| C7 | C2 | C3 | C4 | 0.9° | 0.3° |
| C2 | C7 | C6 | H11 | 179.7° | 179.9° |
| C7 | C2 | C3 | H12 | 179.1° | 179.7° |
| C2 | C1 | C14 | C18 | 76.8° | 75.0° |
| C2 | C1 | C14 | C15 | 100.5° | 105.2° |
| C1 | C2 | C3 | C4 | 179.6° | 179.9° |
| C1 | C2 | C3 | H12 | 0.4° | 0.0° |
| C14 | C1 | C2 | C3 | 15.2° | 0.0° |
| C1 | C14 | C18 | C17 | 1.8° | 0.0° |
| C1 | C14 | C18 | C15 | 177.4° | 179.7° |
| C1 | C14 | C18 | C19 | 178.4° | 179.7° |
| C1 | C14 | C15 | C16 | 178.6° | 179.8° |
| C1 | C14 | C15 | H6 | 1.4° | 0.0° |
| C6 | C5 | O1 | C4 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 0.6° | 0.2° |
| C6 | C5 | C4 | H13 | 179.5° | 179.7° |
| C2 | C3 | C4 | C5 | 1.0° | 0.1° |
| C2 | C3 | C4 | H12 | 180.0° | 179.9° |
| C2 | C3 | C4 | H13 | 179.0° | 180.0° |
| C17 | C18 | C14 | C19 | 179.9° | 179.7° |
| C17 | C18 | C14 | C15 | 179.2° | 179.8° |
| C17 | C18 | C19 | C20 | 179.7° | 180.0° |
| C18 | C17 | O5 | H1 | 179.0° | 180.0° |
| C17 | C18 | C19 | H2 | 0.4° | 0.1° |
| O5 | C17 | C18 | C14 | 125.4° | 179.7° |
| O5 | C17 | C18 | C19 | 54.7° | 0.0° |
| C18 | C14 | C15 | C16 | 1.2° | 0.5° |
| C14 | C18 | C19 | C20 | 0.4° | 0.3° |
| C14 | C18 | C19 | H2 | 179.5° | 179.8° |
| C18 | C14 | C15 | H6 | 178.8° | 179.7° |
| C15 | C14 | C18 | C19 | 0.9° | 0.6° |
| C14 | C15 | C16 | H6 | 180.0° | 179.8° |
| C14 | C15 | C16 | C20 | 0.9° | 0.2° |
| C14 | C15 | C16 | H5 | 179.1° | 179.8° |
| C18 | C19 | C20 | H2 | 180.0° | 179.9° |
| C18 | C19 | C20 | C16 | 0.1° | 0.0° |
| C18 | C19 | C20 | N1 | 180.0° | 180.0° |
| O1 | C5 | C4 | C3 | 179.4° | 179.9° |
| O1 | C5 | C6 | H11 | 0.1° | 0.1° |
| O1 | C5 | C4 | H13 | 0.5° | 0.0° |
| C5 | C4 | C3 | H13 | 180.0° | 179.9° |
| C4 | C5 | C6 | H11 | 179.9° | 179.8° |
| C5 | C4 | C3 | H12 | 178.9° | 180.0° |
| C15 | C16 | C20 | C19 | 0.3° | 0.0° |
| C15 | C16 | C20 | H5 | 180.0° | 180.0° |
| C15 | C16 | C20 | N1 | 179.8° | 180.0° |
| C19 | C20 | C16 | N1 | 179.9° | 180.0° |
| C19 | C20 | N1 | H3 | 180.0° | 0.0° |
| C19 | C20 | N1 | H4 | 60.0° | 180.0° |
| C19 | C20 | C16 | H5 | 179.7° | 180.0° |
| C16 | C20 | C19 | H2 | 179.9° | 179.9° |
| C16 | C20 | N1 | H3 | 0.1° | 180.0° |
| C16 | C20 | N1 | H4 | 120.1° | 0.0° |
| C20 | C16 | C15 | H6 | 179.1° | 180.0° |
| N1 | C20 | C19 | H2 | 0.0° | 0.1° |
| C20 | N1 | H3 | H4 | 120.0° | 179.9° |
| N1 | C20 | C16 | H5 | 0.3° | 0.0° |
| H5 | C16 | C15 | H6 | 0.9° | 0.0° |
| H7 | C12 | C11 | H8 | 0.2° | 0.0° |
| H12 | C3 | C4 | H13 | 1.1° | 0.1° |
