A1ANH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | trip | 1.14Å | 1.11Å | |
| C1 | C | sing | 1.43Å | 1.43Å | |
| C1 | C2 | doub | 1.36Å | 1.34Å | Aromatic |
| C2 | O | sing | 1.34Å | 1.36Å | Aromatic |
| O | C3 | sing | 1.34Å | 1.35Å | Aromatic |
| C3 | N1 | doub | 1.30Å | 1.28Å | Aromatic |
| N1 | C1 | sing | 1.36Å | 1.37Å | Aromatic |
| C2 | H | sing | 1.08Å | 1.08Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | C1 | 176.4° | 180.0° |
| C | C1 | C2 | 128.4° | 126.5° |
| C | C1 | N1 | 122.2° | 126.5° |
| C1 | C2 | O | 108.5° | 107.0° |
| C2 | C1 | N1 | 109.4° | 107.1° |
| C1 | C2 | H | 125.8° | 126.5° |
| C2 | O | C3 | 102.8° | 108.2° |
| O | C2 | H | 125.7° | 126.6° |
| O | C3 | N1 | 115.3° | 109.3° |
| O | C3 | H1 | 122.4° | 125.3° |
| C3 | N1 | C1 | 104.0° | 108.5° |
| N1 | C3 | H1 | 122.3° | 125.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | C1 | C2 | 173.6° | 0.0° |
| N | C | C1 | N1 | 4.8° | 180.0° |
| C | C1 | C2 | N1 | 178.6° | 180.0° |
| C | C1 | C2 | O | 177.9° | 180.0° |
| C | C1 | N1 | C3 | 178.4° | 180.0° |
| C | C1 | C2 | H | 2.0° | 0.0° |
| C1 | C2 | O | H | 180.0° | 180.0° |
| C1 | C2 | O | C3 | 0.7° | 0.0° |
| C2 | C1 | N1 | C3 | 0.3° | 0.0° |
| C2 | O | C3 | N1 | 0.6° | 0.0° |
| O | C2 | C1 | N1 | 0.7° | 0.0° |
| C2 | O | C3 | H1 | 179.4° | 180.0° |
| O | C3 | N1 | H1 | 180.0° | 180.0° |
| O | C3 | N1 | C1 | 0.2° | 0.0° |
| C3 | O | C2 | H | 179.3° | 180.0° |
| N1 | C1 | C2 | H | 179.4° | 180.0° |
| C1 | N1 | C3 | H1 | 179.8° | 180.0° |
