R8A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | O | sing | 1.43Å | 1.42Å | |
| C5 | C2 | sing | 1.51Å | 1.51Å | |
| N1 | C3 | sing | 1.39Å | 1.35Å | |
| C2 | C3 | doub | 1.39Å | 1.42Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | N | sing | 1.32Å | 1.35Å | Aromatic |
| C1 | C | doub | 1.39Å | 1.38Å | Aromatic |
| N | C4 | doub | 1.32Å | 1.34Å | Aromatic |
| C | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| O | H6 | sing | 0.97Å | 0.95Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C5 | C2 | 111.4° | 109.5° |
| O | C5 | H2 | 109.0° | 109.5° |
| O | C5 | H3 | 109.0° | 109.4° |
| C5 | O | H6 | 109.5° | 114.0° |
| C5 | C2 | C3 | 120.5° | 120.5° |
| C5 | C2 | C1 | 121.1° | 120.4° |
| C2 | C5 | H2 | 109.0° | 109.5° |
| C2 | C5 | H3 | 109.0° | 109.5° |
| N1 | C3 | C2 | 121.6° | 119.7° |
| N1 | C3 | N | 117.4° | 119.7° |
| C3 | N1 | H4 | 109.5° | 120.0° |
| C3 | N1 | H5 | 109.5° | 120.0° |
| C3 | C2 | C1 | 118.4° | 119.1° |
| C2 | C3 | N | 121.0° | 120.6° |
| C2 | C1 | C | 119.7° | 118.5° |
| C2 | C1 | H7 | 120.2° | 120.8° |
| C3 | N | C4 | 118.7° | 121.6° |
| C1 | C | C4 | 118.6° | 119.3° |
| C | C1 | H7 | 120.2° | 120.7° |
| C1 | C | H8 | 120.7° | 120.4° |
| N | C4 | C | 123.7° | 120.8° |
| N | C4 | H1 | 118.2° | 119.6° |
| C | C4 | H1 | 118.2° | 119.6° |
| C4 | C | H8 | 120.7° | 120.3° |
| H2 | C5 | H3 | 109.4° | 109.4° |
| H4 | N1 | H5 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C5 | C2 | H2 | 120.3° | 120.1° |
| O | C5 | C2 | H3 | 120.3° | 120.0° |
| O | C5 | C2 | C3 | 161.6° | 180.0° |
| O | C5 | C2 | C1 | 16.7° | 0.1° |
| O | C5 | H2 | H3 | 119.1° | 119.9° |
| C5 | C2 | C3 | N1 | 3.8° | 0.1° |
| C5 | C2 | C3 | C1 | 178.4° | 179.9° |
| C5 | C2 | C3 | N | 179.7° | 179.8° |
| C5 | C2 | C1 | C | 178.7° | 179.8° |
| C2 | C5 | H2 | H3 | 119.1° | 120.0° |
| C2 | C5 | O | H6 | 180.0° | 180.0° |
| C5 | C2 | C1 | H7 | 1.2° | 0.0° |
| N1 | C3 | C2 | N | 176.6° | 179.8° |
| N1 | C3 | C2 | C1 | 174.7° | 180.0° |
| N1 | C3 | N | C4 | 174.5° | 179.7° |
| C3 | N1 | H4 | H5 | 120.0° | 180.0° |
| C3 | C2 | C1 | C | 0.3° | 0.2° |
| C2 | C3 | N | C4 | 2.3° | 0.1° |
| C3 | C2 | C5 | H2 | 78.1° | 59.9° |
| C3 | C2 | C5 | H3 | 41.3° | 60.0° |
| C2 | C3 | N1 | H4 | 176.7° | 0.0° |
| C2 | C3 | N1 | H5 | 63.3° | 180.0° |
| C3 | C2 | C1 | H7 | 179.7° | 180.0° |
| C1 | C2 | C3 | N | 1.9° | 0.2° |
| C2 | C1 | C | H7 | 180.0° | 179.8° |
| C2 | C1 | C | C4 | 0.9° | 0.1° |
| C1 | C2 | C5 | H2 | 103.6° | 120.0° |
| C1 | C2 | C5 | H3 | 137.1° | 120.0° |
| C2 | C1 | C | H8 | 179.1° | 180.0° |
| C3 | N | C4 | C | 1.0° | 0.4° |
| C3 | N | C4 | H1 | 179.0° | 180.0° |
| N | C3 | N1 | H4 | 0.0° | 179.8° |
| N | C3 | N1 | H5 | 120.0° | 0.3° |
| C1 | C | C4 | N | 0.6° | 0.3° |
| C1 | C | C4 | H8 | 180.0° | 179.9° |
| C1 | C | C4 | H1 | 179.4° | 180.0° |
| N | C4 | C | H1 | 180.0° | 179.6° |
| N | C4 | C | H8 | 179.4° | 179.7° |
| C4 | C | C1 | H7 | 179.1° | 179.8° |
| H1 | C4 | C | H8 | 0.6° | 0.1° |
| H2 | C5 | O | H6 | 59.7° | 59.9° |
| H3 | C5 | O | H6 | 59.6° | 60.0° |
| H7 | C1 | C | H8 | 0.9° | 0.2° |
