AZG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C4 | N9 | sing | 1.34Å | 1.41Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | N2 | sing | 1.39Å | 1.32Å | |
| C2 | N1 | sing | 1.33Å | 1.37Å | Aromatic |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| N1 | C6 | doub | 1.33Å | 1.40Å | Aromatic |
| C6 | O6 | sing | 1.36Å | 1.25Å | |
| C6 | C5 | sing | 1.40Å | 1.45Å | Aromatic |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C5 | N7 | sing | 1.37Å | 1.42Å | Aromatic |
| N7 | N8 | sing | 1.29Å | 1.33Å | Aromatic |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| N8 | N9 | doub | 1.29Å | 1.42Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C4 | C5 | 128.4° | 118.9° |
| N3 | C4 | N9 | 126.2° | 135.5° |
| C4 | N3 | C2 | 111.6° | 120.4° |
| C5 | C4 | N9 | 105.4° | 105.6° |
| C4 | C5 | C6 | 118.6° | 118.7° |
| C4 | C5 | N7 | 111.0° | 105.4° |
| C4 | N9 | N8 | 106.6° | 109.4° |
| N3 | C2 | N2 | 119.9° | 118.8° |
| N3 | C2 | N1 | 124.9° | 122.3° |
| N2 | C2 | N1 | 115.2° | 118.8° |
| C2 | N2 | HN21 | 108.5° | 120.0° |
| C2 | N2 | HN22 | 119.9° | 120.0° |
| C2 | N1 | C6 | 125.4° | 121.1° |
| HN21 | N2 | HN22 | 108.4° | 120.0° |
| N1 | C6 | O6 | 119.8° | 120.7° |
| N1 | C6 | C5 | 111.0° | 118.6° |
| O6 | C6 | C5 | 129.2° | 120.7° |
| C6 | O6 | HO6 | 119.8° | 106.8° |
| C6 | C5 | N7 | 130.4° | 136.0° |
| C5 | N7 | N8 | 104.8° | 108.0° |
| C5 | N7 | HN7 | 129.8° | 126.0° |
| N8 | N7 | HN7 | 125.3° | 126.0° |
| N7 | N8 | N9 | 112.2° | 111.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C4 | C5 | N9 | 179.3° | 179.7° |
| C4 | N3 | C2 | N2 | 179.7° | 179.7° |
| C4 | N3 | C2 | N1 | 0.2° | 0.4° |
| N3 | C4 | C5 | C6 | 0.8° | 0.3° |
| N3 | C4 | C5 | N7 | 179.9° | 179.7° |
| N3 | C4 | N9 | N8 | 179.8° | 179.7° |
| C5 | C4 | N3 | C2 | 0.5° | 0.5° |
| C4 | C5 | C6 | N1 | 0.6° | 0.1° |
| C4 | C5 | C6 | O6 | 180.0° | 180.0° |
| C4 | C5 | C6 | N7 | 179.2° | 179.9° |
| C4 | C5 | N7 | N8 | 0.5° | 0.0° |
| C4 | C5 | N7 | HN7 | 179.5° | 180.0° |
| C5 | C4 | N9 | N8 | 0.5° | 0.1° |
| N9 | C4 | N3 | C2 | 179.6° | 179.9° |
| N9 | C4 | C5 | C6 | 180.0° | 180.0° |
| N9 | C4 | C5 | N7 | 0.7° | 0.1° |
| C4 | N9 | N8 | N7 | 0.2° | 0.0° |
| N3 | C2 | N2 | N1 | 179.5° | 179.9° |
| N3 | C2 | N2 | HN21 | 54.8° | 179.8° |
| N3 | C2 | N2 | HN22 | 180.0° | 0.4° |
| N3 | C2 | N1 | C6 | 0.3° | 0.2° |
| C2 | N2 | HN21 | HN22 | 131.7° | 179.9° |
| N2 | C2 | N1 | C6 | 179.7° | 179.9° |
| N1 | C2 | N2 | HN21 | 124.7° | 0.1° |
| N1 | C2 | N2 | HN22 | 0.5° | 179.7° |
| C2 | N1 | C6 | O6 | 179.9° | 179.9° |
| C2 | N1 | C6 | C5 | 0.5° | 0.0° |
| N1 | C6 | O6 | C5 | 179.3° | 179.9° |
| N1 | C6 | O6 | HO6 | 180.0° | 90.0° |
| N1 | C6 | C5 | N7 | 179.8° | 180.0° |
| O6 | C6 | C5 | N7 | 0.8° | 0.1° |
| C5 | C6 | O6 | HO6 | 0.6° | 89.9° |
| C6 | C5 | N7 | N8 | 179.7° | 179.9° |
| C6 | C5 | N7 | HN7 | 0.3° | 0.1° |
| C5 | N7 | N8 | HN7 | 180.0° | 180.0° |
| C5 | N7 | N8 | N9 | 0.2° | 0.0° |
| HN7 | N7 | N8 | N9 | 179.8° | 180.0° |
