2AF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C1 | sing | 1.40Å | 1.45Å | |
| N | HN1 | sing | 0.97Å | 1.02Å | |
| N | HN2 | sing | 0.97Å | 1.02Å | |
| O | C2 | sing | 1.36Å | 1.46Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| C1 | C2 | doub | 1.39Å | 1.45Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.47Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N | HN1 | 108.6° | 120.0° |
| C1 | N | HN2 | 119.6° | 120.0° |
| N | C1 | C2 | 119.6° | 120.1° |
| N | C1 | C6 | 118.3° | 120.1° |
| HN1 | N | HN2 | 108.6° | 120.0° |
| C2 | O | HO | 121.8° | 106.8° |
| O | C2 | C1 | 121.8° | 120.1° |
| O | C2 | C3 | 121.4° | 120.0° |
| C2 | C1 | C6 | 122.1° | 119.8° |
| C1 | C2 | C3 | 116.8° | 119.9° |
| C1 | C6 | C5 | 120.4° | 120.0° |
| C1 | C6 | H6 | 119.0° | 120.0° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C2 | C3 | H3 | 122.0° | 120.0° |
| C4 | C3 | H3 | 118.3° | 120.0° |
| C3 | C4 | C5 | 119.7° | 120.2° |
| C3 | C4 | H4 | 119.9° | 120.0° |
| C5 | C4 | H4 | 120.3° | 119.8° |
| C4 | C5 | C6 | 121.2° | 120.2° |
| C4 | C5 | H5 | 120.4° | 119.9° |
| C6 | C5 | H5 | 118.4° | 119.9° |
| C5 | C6 | H6 | 120.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N | HN1 | HN2 | 131.5° | 179.7° |
| N | C1 | C2 | O | 0.1° | 0.3° |
| N | C1 | C2 | C6 | 179.9° | 179.7° |
| N | C1 | C2 | C3 | 179.9° | 179.8° |
| N | C1 | C6 | C5 | 179.8° | 180.0° |
| N | C1 | C6 | H6 | 0.2° | 0.0° |
| HN1 | N | C1 | C2 | 54.8° | 179.7° |
| HN1 | N | C1 | C6 | 125.4° | 0.0° |
| HN2 | N | C1 | C2 | 180.0° | 0.6° |
| HN2 | N | C1 | C6 | 0.1° | 179.7° |
| O | C2 | C1 | C3 | 179.9° | 179.5° |
| O | C2 | C1 | C6 | 179.9° | 180.0° |
| O | C2 | C3 | C4 | 179.9° | 180.0° |
| O | C2 | C3 | H3 | 0.1° | 0.2° |
| HO | O | C2 | C1 | 180.0° | 90.6° |
| HO | O | C2 | C3 | 0.1° | 90.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.5° |
| C1 | C2 | C3 | H3 | 179.9° | 179.7° |
| C2 | C1 | C6 | C5 | 0.1° | 0.3° |
| C2 | C1 | C6 | H6 | 179.9° | 179.8° |
| C6 | C1 | C2 | C3 | 0.0° | 0.5° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 0.1° | 0.3° |
| C2 | C3 | C4 | H4 | 179.9° | 179.8° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| H3 | C3 | C4 | C5 | 179.9° | 179.9° |
| H3 | C3 | C4 | H4 | 0.1° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| H4 | C4 | C5 | C6 | 180.0° | 180.0° |
| H4 | C4 | C5 | H5 | 0.0° | 0.1° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
