A1CD0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C6 | sing | 1.35Å | 1.35Å | |
| C6 | O8 | doub | 1.22Å | 1.25Å | |
| C6 | C5 | sing | 1.47Å | 1.45Å | |
| O9 | C5 | sing | 1.35Å | 1.37Å | Aromatic |
| O9 | C2 | sing | 1.34Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.37Å | 1.35Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C2 | C3 | doub | 1.35Å | 1.35Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N7 | H7B | sing | 0.97Å | 1.00Å | |
| N7 | H7A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | C6 | O8 | 125.1° | 120.0° |
| N7 | C6 | C5 | 113.9° | 120.0° |
| C6 | N7 | H7B | 120.0° | 119.9° |
| C6 | N7 | H7A | 120.0° | 120.0° |
| O8 | C6 | C5 | 121.0° | 120.0° |
| C6 | C5 | O9 | 117.0° | 126.0° |
| C6 | C5 | C4 | 133.4° | 126.0° |
| C5 | O9 | C2 | 106.7° | 109.4° |
| O9 | C5 | C4 | 109.6° | 108.0° |
| O9 | C2 | C1 | 116.0° | 125.6° |
| O9 | C2 | C3 | 109.7° | 108.8° |
| C5 | C4 | C3 | 106.8° | 106.7° |
| C5 | C4 | H4 | 126.6° | 126.7° |
| C1 | C2 | C3 | 134.3° | 125.6° |
| C2 | C1 | H1C | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.4° | 109.4° |
| C2 | C3 | C4 | 107.2° | 107.1° |
| C2 | C3 | H3 | 126.4° | 126.4° |
| C3 | C4 | H4 | 126.6° | 126.6° |
| C4 | C3 | H3 | 126.4° | 126.4° |
| H1C | C1 | H1A | 109.5° | 109.5° |
| H1C | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.4° |
| H7B | N7 | H7A | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C6 | O8 | C5 | 179.2° | 179.9° |
| N7 | C6 | C5 | O9 | 5.9° | 0.1° |
| N7 | C6 | C5 | C4 | 175.1° | 180.0° |
| C6 | N7 | H7B | H7A | 180.0° | 179.9° |
| O8 | C6 | C5 | O9 | 173.4° | 180.0° |
| O8 | C6 | C5 | C4 | 5.6° | 0.1° |
| O8 | C6 | N7 | H7B | 0.0° | 0.1° |
| O8 | C6 | N7 | H7A | 180.0° | 180.0° |
| C6 | C5 | O9 | C4 | 179.2° | 179.9° |
| C6 | C5 | O9 | C2 | 179.1° | 179.9° |
| C6 | C5 | C4 | C3 | 178.9° | 179.9° |
| C6 | C5 | C4 | H4 | 1.1° | 0.1° |
| C5 | C6 | N7 | H7B | 179.3° | 180.0° |
| C5 | C6 | N7 | H7A | 0.7° | 0.1° |
| C5 | O9 | C2 | C1 | 178.6° | 180.0° |
| C5 | O9 | C2 | C3 | 0.1° | 0.4° |
| O9 | C5 | C4 | C3 | 0.1° | 0.0° |
| O9 | C5 | C4 | H4 | 179.8° | 179.8° |
| C2 | O9 | C5 | C4 | 0.1° | 0.2° |
| O9 | C2 | C1 | C3 | 178.1° | 179.6° |
| O9 | C2 | C3 | C4 | 0.0° | 0.4° |
| O9 | C2 | C1 | H1C | 0.0° | 90.4° |
| O9 | C2 | C1 | H1A | 120.0° | 29.6° |
| O9 | C2 | C1 | H1B | 120.0° | 149.5° |
| O9 | C2 | C3 | H3 | 180.0° | 179.6° |
| C5 | C4 | C3 | C2 | 0.1° | 0.2° |
| C5 | C4 | C3 | H4 | 180.0° | 179.8° |
| C5 | C4 | C3 | H3 | 179.9° | 179.8° |
| C1 | C2 | C3 | C4 | 178.2° | 180.0° |
| C2 | C1 | H1C | H1A | 120.0° | 120.0° |
| C2 | C1 | H1C | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 119.9° |
| C1 | C2 | C3 | H3 | 1.8° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C3 | C2 | C1 | H1C | 178.1° | 90.0° |
| C3 | C2 | C1 | H1A | 61.8° | 150.0° |
| C3 | C2 | C1 | H1B | 58.1° | 30.0° |
| H4 | C4 | C3 | H3 | 0.1° | 0.0° |
| H1C | C1 | H1A | H1B | 120.0° | 120.1° |
