22F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | F15 | sing | 1.35Å | 1.35Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | sing | 1.48Å | 1.52Å | |
| C1 | C7 | sing | 1.48Å | 1.52Å | |
| C7 | O8 | doub | 1.22Å | 1.21Å | |
| C2 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N4 | C5 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F15 | C12 | C11 | 123.0° | 119.8° |
| F15 | C12 | C13 | 118.5° | 119.9° |
| C11 | C12 | C13 | 118.4° | 120.3° |
| C12 | C11 | C10 | 121.9° | 120.1° |
| C12 | C11 | H11 | 119.0° | 119.9° |
| C12 | C13 | C14 | 119.0° | 120.1° |
| C12 | C13 | H13 | 120.5° | 120.0° |
| C10 | C11 | H11 | 119.1° | 119.9° |
| C11 | C10 | C9 | 119.5° | 119.8° |
| C11 | C10 | H10 | 120.3° | 120.1° |
| C9 | C10 | H10 | 120.2° | 120.1° |
| C10 | C9 | C14 | 117.4° | 119.8° |
| C10 | C9 | C7 | 125.9° | 120.1° |
| C14 | C13 | H13 | 120.5° | 119.9° |
| C13 | C14 | C9 | 123.7° | 119.9° |
| C13 | C14 | H14 | 118.1° | 120.1° |
| C9 | C14 | H14 | 118.1° | 120.1° |
| C14 | C9 | C7 | 116.6° | 120.1° |
| C9 | C7 | C1 | 131.1° | 120.0° |
| C9 | C7 | O8 | 114.2° | 120.0° |
| C1 | C7 | O8 | 114.7° | 120.0° |
| C7 | C1 | C2 | 121.1° | 120.9° |
| C7 | C1 | C6 | 122.1° | 121.0° |
| C2 | C1 | C6 | 116.6° | 118.1° |
| C1 | C2 | C3 | 120.9° | 119.0° |
| C1 | C2 | H2 | 119.5° | 120.5° |
| C1 | C6 | C5 | 120.3° | 119.0° |
| C1 | C6 | H6 | 119.9° | 120.5° |
| C5 | C6 | H6 | 119.8° | 120.5° |
| C6 | C5 | N4 | 121.3° | 120.9° |
| C6 | C5 | H5 | 119.3° | 119.5° |
| N4 | C5 | H5 | 119.4° | 119.6° |
| C5 | N4 | C3 | 120.1° | 122.1° |
| N4 | C3 | C2 | 120.7° | 120.9° |
| N4 | C3 | H3 | 119.7° | 119.6° |
| C2 | C3 | H3 | 119.7° | 119.6° |
| C3 | C2 | H2 | 119.5° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F15 | C12 | C11 | C13 | 179.9° | 179.7° |
| F15 | C12 | C11 | C10 | 179.8° | 179.9° |
| F15 | C12 | C11 | H11 | 0.2° | 0.0° |
| F15 | C12 | C13 | C14 | 179.4° | 180.0° |
| F15 | C12 | C13 | H13 | 0.6° | 0.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 1.6° | 0.0° |
| C12 | C11 | C10 | H10 | 178.4° | 180.0° |
| C11 | C12 | C13 | C14 | 0.5° | 0.3° |
| C11 | C12 | C13 | H13 | 179.5° | 179.7° |
| C13 | C12 | C11 | C10 | 0.1° | 0.3° |
| C13 | C12 | C11 | H11 | 179.9° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C9 | 0.9° | 0.0° |
| C12 | C13 | C14 | H14 | 179.2° | 180.0° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | C14 | 2.9° | 0.3° |
| C11 | C10 | C9 | C7 | 178.6° | 180.0° |
| H11 | C11 | C10 | C9 | 178.3° | 180.0° |
| H11 | C11 | C10 | H10 | 1.7° | 0.0° |
| C10 | C9 | C14 | C13 | 2.6° | 0.3° |
| C10 | C9 | C14 | C7 | 176.1° | 179.7° |
| C10 | C9 | C14 | H14 | 177.5° | 179.7° |
| C10 | C9 | C7 | C1 | 70.3° | 22.5° |
| C10 | C9 | C7 | O8 | 112.1° | 157.5° |
| H10 | C10 | C9 | C14 | 177.1° | 179.7° |
| H10 | C10 | C9 | C7 | 1.4° | 0.0° |
| C13 | C14 | C9 | H14 | 180.0° | 180.0° |
| C13 | C14 | C9 | C7 | 178.7° | 180.0° |
| H13 | C13 | C14 | C9 | 179.1° | 180.0° |
| H13 | C13 | C14 | H14 | 0.9° | 0.0° |
| C14 | C9 | C7 | C1 | 113.9° | 157.7° |
| C14 | C9 | C7 | O8 | 63.7° | 22.3° |
| H14 | C14 | C9 | C7 | 1.3° | 0.0° |
| C9 | C7 | C1 | O8 | 177.7° | 180.0° |
| C9 | C7 | C1 | C2 | 108.2° | 22.2° |
| C9 | C7 | C1 | C6 | 76.7° | 158.1° |
| C7 | C1 | C2 | C6 | 175.3° | 179.7° |
| C7 | C1 | C6 | C5 | 178.0° | 180.0° |
| C7 | C1 | C6 | H6 | 2.0° | 0.0° |
| C7 | C1 | C2 | C3 | 178.2° | 179.7° |
| C7 | C1 | C2 | H2 | 1.8° | 0.3° |
| O8 | C7 | C1 | C2 | 74.1° | 157.8° |
| O8 | C7 | C1 | C6 | 100.9° | 21.9° |
| C2 | C1 | C6 | C5 | 2.7° | 0.2° |
| C2 | C1 | C6 | H6 | 177.3° | 179.7° |
| C1 | C2 | C3 | N4 | 1.4° | 0.5° |
| C1 | C2 | C3 | H2 | 180.0° | 179.5° |
| C1 | C2 | C3 | H3 | 178.5° | 179.7° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | N4 | 1.3° | 0.1° |
| C1 | C6 | C5 | H5 | 178.7° | 180.0° |
| C6 | C1 | C2 | C3 | 2.8° | 0.5° |
| C6 | C1 | C2 | H2 | 177.2° | 180.0° |
| C6 | C5 | N4 | H5 | 180.0° | 179.9° |
| C6 | C5 | N4 | C3 | 0.3° | 0.1° |
| H6 | C6 | C5 | N4 | 178.8° | 180.0° |
| H6 | C6 | C5 | H5 | 1.2° | 0.1° |
| C5 | N4 | C3 | C2 | 0.2° | 0.2° |
| C5 | N4 | C3 | H3 | 179.8° | 180.0° |
| H5 | C5 | N4 | C3 | 179.7° | 180.0° |
| N4 | C3 | C2 | H3 | 180.0° | 179.7° |
| N4 | C3 | C2 | H2 | 178.6° | 180.0° |
| H3 | C3 | C2 | H2 | 1.4° | 0.3° |
