1AN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | HC5 | sing | 1.08Å | 1.10Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.10Å | |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | F2 | sing | 1.35Å | 1.29Å | |
| C1 | N | sing | 1.40Å | 1.38Å | |
| 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 | 116.5° | 120.2° |
| C5 | C4 | HC4 | 121.9° | 119.9° |
| C4 | C5 | C6 | 123.6° | 120.1° |
| C4 | C5 | HC5 | 117.9° | 119.9° |
| C3 | C4 | HC4 | 121.5° | 119.9° |
| C4 | C3 | C2 | 120.6° | 120.0° |
| C4 | C3 | HC3 | 119.6° | 120.0° |
| C6 | C5 | HC5 | 118.5° | 120.0° |
| C5 | C6 | C1 | 119.1° | 119.9° |
| C5 | C6 | HC6 | 120.8° | 120.0° |
| C2 | C3 | HC3 | 119.9° | 120.0° |
| C3 | C2 | C1 | 122.4° | 119.9° |
| C3 | C2 | F2 | 117.1° | 120.0° |
| C1 | C6 | HC6 | 120.1° | 120.1° |
| C6 | C1 | C2 | 117.6° | 119.9° |
| C6 | C1 | N | 121.7° | 120.0° |
| C1 | C2 | F2 | 120.3° | 120.1° |
| C2 | C1 | N | 120.5° | 120.1° |
| C1 | N | HN1 | 107.8° | 120.0° |
| C1 | N | HN2 | 121.7° | 120.1° |
| HN1 | N | HN2 | 107.9° | 119.9° |
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 | HC5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 2.7° | 0.3° |
| C5 | C4 | C3 | HC3 | 177.3° | 179.9° |
| C4 | C5 | C6 | C1 | 1.5° | 0.0° |
| C4 | C5 | C6 | HC6 | 178.5° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C3 | C4 | C5 | HC5 | 179.5° | 180.0° |
| C4 | C3 | C2 | HC3 | 180.0° | 179.8° |
| C4 | C3 | C2 | C1 | 5.1° | 0.5° |
| C4 | C3 | C2 | F2 | 179.6° | 180.0° |
| HC4 | C4 | C5 | C6 | 179.5° | 180.0° |
| HC4 | C4 | C5 | HC5 | 0.5° | 0.0° |
| HC4 | C4 | C3 | C2 | 177.3° | 179.8° |
| HC4 | C4 | C3 | HC3 | 2.6° | 0.0° |
| C5 | C6 | C1 | HC6 | 180.0° | 179.9° |
| C5 | C6 | C1 | C2 | 0.7° | 0.2° |
| C5 | C6 | C1 | N | 175.4° | 180.0° |
| HC5 | C5 | C6 | C1 | 178.5° | 180.0° |
| HC5 | C5 | C6 | HC6 | 1.5° | 0.0° |
| C3 | C2 | C1 | C6 | 3.9° | 0.5° |
| C3 | C2 | C1 | F2 | 175.2° | 179.5° |
| C3 | C2 | C1 | N | 178.7° | 179.8° |
| HC3 | C3 | C2 | C1 | 174.9° | 179.7° |
| HC3 | C3 | C2 | F2 | 0.4° | 0.2° |
| C6 | C1 | C2 | N | 174.8° | 179.8° |
| C6 | C1 | C2 | F2 | 179.1° | 179.9° |
| C6 | C1 | N | HN1 | 54.7° | 179.9° |
| C6 | C1 | N | HN2 | 180.0° | 0.2° |
| HC6 | C6 | C1 | C2 | 179.3° | 179.7° |
| HC6 | C6 | C1 | N | 4.6° | 0.0° |
| C2 | C1 | N | HN1 | 119.9° | 0.3° |
| C2 | C1 | N | HN2 | 5.4° | 179.5° |
| F2 | C2 | C1 | N | 6.1° | 0.3° |
| C1 | N | HN1 | HN2 | 133.1° | 179.9° |
