AZ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | N5 | doub | 1.29Å | 1.29Å | Aromatic |
| N6 | C7 | sing | 1.33Å | 1.32Å | Aromatic |
| N8 | C7 | sing | 1.38Å | 1.39Å | |
| N8 | C9 | sing | 1.34Å | 1.34Å | |
| N5 | C4 | sing | 1.32Å | 1.32Å | Aromatic |
| O2 | C9 | doub | 1.22Å | 1.22Å | |
| C7 | C2 | doub | 1.41Å | 1.41Å | Aromatic |
| C9 | N10 | sing | 1.34Å | 1.35Å | |
| C4 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.47Å | |
| N10 | C1 | sing | 1.35Å | 1.37Å | |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| N10 | H2 | sing | 0.97Å | 1.00Å | |
| N8 | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | N6 | C7 | 118.9° | 119.7° |
| N6 | N5 | C4 | 122.5° | 122.1° |
| N6 | C7 | N8 | 121.6° | 122.3° |
| N6 | C7 | C2 | 119.0° | 118.9° |
| C7 | N8 | C9 | 120.5° | 120.7° |
| N8 | C7 | C2 | 119.3° | 118.8° |
| C7 | N8 | H3 | 119.7° | 119.7° |
| N8 | C9 | O2 | 117.3° | 118.5° |
| N8 | C9 | N10 | 123.1° | 122.9° |
| C9 | N8 | H3 | 119.8° | 119.6° |
| N5 | C4 | N3 | 122.2° | 121.3° |
| N5 | C4 | H1 | 118.9° | 119.4° |
| O2 | C9 | N10 | 119.5° | 118.6° |
| C7 | C2 | N3 | 120.0° | 119.2° |
| C7 | C2 | C1 | 117.9° | 118.3° |
| C9 | N10 | C1 | 120.8° | 121.2° |
| C9 | N10 | H2 | 119.6° | 119.4° |
| C4 | N3 | C2 | 117.3° | 118.8° |
| N3 | C4 | H1 | 118.9° | 119.3° |
| N3 | C2 | C1 | 122.1° | 122.5° |
| C2 | C1 | N10 | 118.3° | 118.1° |
| C2 | C1 | O1 | 122.5° | 121.0° |
| N10 | C1 | O1 | 119.2° | 120.9° |
| C1 | N10 | H2 | 119.6° | 119.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | N6 | C7 | N8 | 179.8° | 179.8° |
| N5 | N6 | C7 | C2 | 0.0° | 0.0° |
| N6 | N5 | C4 | N3 | 0.1° | 0.0° |
| N6 | N5 | C4 | H1 | 179.9° | 180.0° |
| N6 | C7 | N8 | C2 | 179.9° | 179.7° |
| N6 | C7 | N8 | C9 | 179.9° | 179.8° |
| C7 | N6 | N5 | C4 | 0.1° | 0.1° |
| N6 | C7 | C2 | N3 | 0.2° | 0.0° |
| N6 | C7 | C2 | C1 | 179.9° | 180.0° |
| N6 | C7 | N8 | H3 | 0.1° | 0.2° |
| C7 | N8 | C9 | H3 | 180.0° | 179.5° |
| C7 | N8 | C9 | O2 | 179.7° | 179.7° |
| C7 | N8 | C9 | N10 | 0.4° | 0.6° |
| N8 | C7 | C2 | N3 | 179.7° | 179.7° |
| N8 | C7 | C2 | C1 | 0.0° | 0.3° |
| N8 | C9 | O2 | N10 | 179.3° | 179.7° |
| C9 | N8 | C7 | C2 | 0.0° | 0.5° |
| N8 | C9 | N10 | C1 | 0.9° | 0.3° |
| N8 | C9 | N10 | H2 | 179.1° | 179.7° |
| N5 | C4 | N3 | H1 | 180.0° | 180.0° |
| N5 | C4 | N3 | C2 | 0.1° | 0.0° |
| O2 | C9 | N10 | C1 | 179.8° | 180.0° |
| O2 | C9 | N10 | H2 | 0.2° | 0.0° |
| O2 | C9 | N8 | H3 | 0.3° | 0.2° |
| C7 | C2 | N3 | C4 | 0.2° | 0.1° |
| C7 | C2 | N3 | C1 | 179.7° | 180.0° |
| C7 | C2 | C1 | N10 | 0.4° | 0.0° |
| C7 | C2 | C1 | O1 | 178.9° | 180.0° |
| C2 | C7 | N8 | H3 | 180.0° | 180.0° |
| C9 | N10 | C1 | C2 | 0.9° | 0.0° |
| C9 | N10 | C1 | H2 | 180.0° | 180.0° |
| C9 | N10 | C1 | O1 | 178.4° | 180.0° |
| N10 | C9 | N8 | H3 | 179.6° | 179.9° |
| C4 | N3 | C2 | C1 | 179.9° | 180.0° |
| N3 | C2 | C1 | N10 | 179.9° | 179.9° |
| N3 | C2 | C1 | O1 | 0.8° | 0.1° |
| C2 | N3 | C4 | H1 | 179.9° | 180.0° |
| C2 | C1 | N10 | O1 | 179.3° | 180.0° |
| C2 | C1 | N10 | H2 | 179.1° | 180.0° |
| O1 | C1 | N10 | H2 | 1.6° | 0.0° |
