L8Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.43Å | |
| O | C1 | sing | 1.36Å | 1.36Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| O3 | C6 | sing | 1.36Å | 1.37Å | |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | N | sing | 1.48Å | 1.47Å | |
| N | O1 | sing | 1.22Å | 1.22Å | |
| N | O2 | doub | 1.22Å | 1.22Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 117.4° | 117.0° |
| O | C | H5 | 109.5° | 109.5° |
| O | C | H6 | 109.5° | 109.5° |
| O | C | H7 | 109.5° | 109.4° |
| O | C1 | C2 | 125.1° | 120.1° |
| O | C1 | C6 | 114.7° | 120.1° |
| C2 | C1 | C6 | 120.2° | 119.8° |
| C1 | C2 | C3 | 120.1° | 120.0° |
| C1 | C2 | H1 | 119.9° | 119.9° |
| C1 | C6 | O3 | 119.5° | 120.1° |
| C1 | C6 | C5 | 119.8° | 119.9° |
| C2 | C3 | C4 | 118.7° | 120.2° |
| C3 | C2 | H1 | 119.9° | 120.0° |
| C2 | C3 | H2 | 120.7° | 120.0° |
| O3 | C6 | C5 | 120.5° | 120.1° |
| C6 | O3 | H3 | 109.5° | 114.0° |
| C6 | C5 | C4 | 118.6° | 120.0° |
| C6 | C5 | H4 | 120.7° | 120.0° |
| C3 | C4 | C5 | 122.6° | 120.1° |
| C3 | C4 | N | 118.8° | 120.0° |
| C4 | C3 | H2 | 120.6° | 119.9° |
| C5 | C4 | N | 118.6° | 119.9° |
| C4 | C5 | H4 | 120.7° | 120.0° |
| C4 | N | O1 | 118.4° | 120.0° |
| C4 | N | O2 | 118.1° | 120.0° |
| O1 | N | O2 | 123.5° | 119.9° |
| H5 | C | H6 | 109.5° | 109.5° |
| H5 | C | H7 | 109.5° | 109.5° |
| H6 | C | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 5.9° | 0.0° |
| C | O | C1 | C6 | 174.2° | 179.7° |
| O | C | H5 | H6 | 120.0° | 120.0° |
| O | C | H5 | H7 | 120.0° | 120.0° |
| O | C | H6 | H7 | 120.0° | 120.0° |
| O | C1 | C2 | C6 | 179.9° | 179.8° |
| O | C1 | C2 | C3 | 179.2° | 179.8° |
| O | C1 | C6 | O3 | 6.9° | 0.2° |
| O | C1 | C6 | C5 | 178.0° | 179.8° |
| O | C1 | C2 | H1 | 0.8° | 0.3° |
| C1 | O | C | H5 | 180.0° | 180.0° |
| C1 | O | C | H6 | 60.0° | 60.0° |
| C1 | O | C | H7 | 60.0° | 60.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C2 | C1 | C6 | O3 | 173.2° | 179.9° |
| C2 | C1 | C6 | C5 | 2.0° | 0.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C1 | C2 | C3 | H2 | 179.5° | 179.9° |
| C6 | C1 | C2 | C3 | 0.7° | 0.0° |
| C1 | C6 | O3 | C5 | 175.1° | 180.0° |
| C1 | C6 | C5 | C4 | 2.0° | 0.1° |
| C6 | C1 | C2 | H1 | 179.3° | 179.9° |
| C1 | C6 | O3 | H3 | 180.0° | 90.0° |
| C1 | C6 | C5 | H4 | 178.0° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.5° | 0.1° |
| C2 | C3 | C4 | N | 179.7° | 180.0° |
| O3 | C6 | C5 | C4 | 173.2° | 179.9° |
| O3 | C6 | C5 | H4 | 6.9° | 0.0° |
| C6 | C5 | C4 | C3 | 0.7° | 0.1° |
| C6 | C5 | C4 | H4 | 180.0° | 179.9° |
| C6 | C5 | C4 | N | 179.0° | 180.0° |
| C5 | C6 | O3 | H3 | 4.9° | 90.0° |
| C3 | C4 | C5 | N | 179.8° | 179.9° |
| C3 | C4 | N | O1 | 0.9° | 0.0° |
| C3 | C4 | N | O2 | 178.0° | 180.0° |
| C4 | C3 | C2 | H1 | 179.5° | 179.9° |
| C3 | C4 | C5 | H4 | 179.2° | 180.0° |
| C5 | C4 | N | O1 | 179.3° | 179.9° |
| C5 | C4 | N | O2 | 1.8° | 0.1° |
| C5 | C4 | C3 | H2 | 179.5° | 179.9° |
| C4 | N | O1 | O2 | 178.8° | 180.0° |
| N | C4 | C3 | H2 | 0.3° | 0.0° |
| N | C4 | C5 | H4 | 1.0° | 0.1° |
| H1 | C2 | C3 | H2 | 0.6° | 0.0° |
| H5 | C | H6 | H7 | 120.0° | 120.0° |
