5AN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | F5 | sing | 1.35Å | 1.29Å | |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | F3 | sing | 1.35Å | 1.29Å | |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| C1 | N | sing | 1.40Å | 1.37Å | |
| N | HN1 | sing | 0.97Å | 1.02Å | |
| N | HN2 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 119.0° | 120.1° |
| C5 | C4 | HC4 | 120.5° | 120.0° |
| C4 | C5 | C6 | 119.8° | 120.1° |
| C4 | C5 | F5 | 122.3° | 120.0° |
| C3 | C4 | HC4 | 120.5° | 120.0° |
| C4 | C3 | C2 | 120.9° | 120.1° |
| C4 | C3 | F3 | 121.6° | 120.0° |
| C6 | C5 | F5 | 117.9° | 119.9° |
| C5 | C6 | C1 | 121.7° | 119.9° |
| C5 | C6 | HC6 | 119.1° | 120.0° |
| C2 | C3 | F3 | 117.4° | 119.9° |
| C3 | C2 | C1 | 120.2° | 119.9° |
| C3 | C2 | HC2 | 120.0° | 120.0° |
| C1 | C6 | HC6 | 119.3° | 120.1° |
| C6 | C1 | C2 | 118.5° | 119.9° |
| C6 | C1 | N | 120.3° | 120.0° |
| C1 | C2 | HC2 | 119.8° | 120.1° |
| C2 | C1 | N | 121.1° | 120.0° |
| C1 | N | HN1 | 108.3° | 120.0° |
| C1 | N | HN2 | 120.3° | 120.0° |
| HN1 | N | HN2 | 108.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | HC4 | 180.0° | 180.0° |
| C4 | C5 | C6 | F5 | 177.3° | 180.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.2° |
| C5 | C4 | C3 | F3 | 177.9° | 180.0° |
| C4 | C5 | C6 | C1 | 0.6° | 0.0° |
| C4 | C5 | C6 | HC6 | 179.4° | 180.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.0° |
| C3 | C4 | C5 | F5 | 177.8° | 180.0° |
| C4 | C3 | C2 | F3 | 177.9° | 179.8° |
| C4 | C3 | C2 | C1 | 1.0° | 0.4° |
| C4 | C3 | C2 | HC2 | 179.1° | 180.0° |
| HC4 | C4 | C5 | C6 | 179.3° | 180.0° |
| HC4 | C4 | C5 | F5 | 2.2° | 0.0° |
| HC4 | C4 | C3 | C2 | 179.9° | 179.8° |
| HC4 | C4 | C3 | F3 | 2.1° | 0.0° |
| C5 | C6 | C1 | HC6 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.2° | 0.3° |
| C5 | C6 | C1 | N | 176.4° | 180.0° |
| F5 | C5 | C6 | C1 | 177.9° | 180.0° |
| F5 | C5 | C6 | HC6 | 2.1° | 0.0° |
| C3 | C2 | C1 | C6 | 1.0° | 0.5° |
| C3 | C2 | C1 | HC2 | 180.0° | 179.6° |
| C3 | C2 | C1 | N | 177.2° | 179.8° |
| F3 | C3 | C2 | C1 | 178.9° | 179.8° |
| F3 | C3 | C2 | HC2 | 1.2° | 0.2° |
| C6 | C1 | C2 | N | 176.2° | 179.7° |
| C6 | C1 | C2 | HC2 | 179.0° | 180.0° |
| C6 | C1 | N | HN1 | 54.7° | 180.0° |
| C6 | C1 | N | HN2 | 180.0° | 0.2° |
| HC6 | C6 | C1 | C2 | 179.8° | 179.8° |
| HC6 | C6 | C1 | N | 3.6° | 0.0° |
| C2 | C1 | N | HN1 | 121.4° | 0.2° |
| C2 | C1 | N | HN2 | 3.9° | 179.5° |
| HC2 | C2 | C1 | N | 2.8° | 0.2° |
| C1 | N | HN1 | HN2 | 132.0° | 179.7° |
