8LG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| N5 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C7 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | O6 | sing | 1.36Å | 1.38Å | |
| C2 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C1 | sing | 1.39Å | 1.37Å | Aromatic |
| C1 | O4 | sing | 1.36Å | 1.39Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| O4 | H5 | sing | 0.97Å | 0.95Å | |
| O6 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C8 | C7 | 125.9° | 120.9° |
| C8 | N5 | C2 | 112.9° | 121.7° |
| N5 | C8 | H3 | 117.0° | 119.5° |
| C8 | C7 | C3 | 118.2° | 119.3° |
| C8 | C7 | H1 | 120.9° | 120.3° |
| C7 | C8 | H3 | 117.0° | 119.6° |
| N5 | C2 | O6 | 116.5° | 119.7° |
| N5 | C2 | C1 | 126.3° | 120.6° |
| C7 | C3 | C1 | 118.2° | 118.4° |
| C3 | C7 | H1 | 120.9° | 120.3° |
| C7 | C3 | H4 | 120.9° | 120.7° |
| O6 | C2 | C1 | 117.2° | 119.7° |
| C2 | O6 | H2 | 109.5° | 114.1° |
| C2 | C1 | C3 | 118.3° | 119.0° |
| C2 | C1 | O4 | 121.4° | 120.5° |
| C3 | C1 | O4 | 120.3° | 120.5° |
| C1 | C3 | H4 | 120.9° | 120.8° |
| C1 | O4 | H5 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C8 | C7 | H3 | 180.0° | 179.9° |
| N5 | C8 | C7 | C3 | 0.4° | 0.1° |
| C8 | N5 | C2 | O6 | 179.8° | 179.7° |
| C8 | N5 | C2 | C1 | 0.4° | 0.7° |
| N5 | C8 | C7 | H1 | 179.6° | 179.7° |
| C7 | C8 | N5 | C2 | 0.1° | 0.4° |
| C8 | C7 | C3 | H1 | 180.0° | 179.6° |
| C8 | C7 | C3 | C1 | 0.6° | 0.3° |
| C8 | C7 | C3 | H4 | 179.4° | 179.7° |
| N5 | C2 | O6 | C1 | 179.8° | 179.6° |
| N5 | C2 | C1 | C3 | 0.2° | 0.4° |
| N5 | C2 | C1 | O4 | 179.7° | 179.5° |
| C2 | N5 | C8 | H3 | 179.9° | 179.5° |
| N5 | C2 | O6 | H2 | 0.0° | 90.5° |
| C7 | C3 | C1 | C2 | 0.4° | 0.1° |
| C7 | C3 | C1 | H4 | 180.0° | 179.9° |
| C7 | C3 | C1 | O4 | 179.2° | 180.0° |
| C3 | C7 | C8 | H3 | 179.6° | 179.9° |
| O6 | C2 | C1 | C3 | 180.0° | 180.0° |
| O6 | C2 | C1 | O4 | 0.5° | 0.1° |
| C2 | C1 | C3 | O4 | 179.5° | 180.0° |
| C2 | C1 | C3 | H4 | 179.7° | 180.0° |
| C2 | C1 | O4 | H5 | 180.0° | 90.1° |
| C1 | C2 | O6 | H2 | 179.8° | 89.9° |
| C1 | C3 | C7 | H1 | 179.4° | 179.9° |
| C3 | C1 | O4 | H5 | 0.5° | 90.0° |
| O4 | C1 | C3 | H4 | 0.8° | 0.0° |
| H1 | C7 | C8 | H3 | 0.4° | 0.4° |
| H1 | C7 | C3 | H4 | 0.6° | 0.1° |
