7WQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C4 | sing | 1.36Å | 1.35Å | |
| C7 | C3 | sing | 1.47Å | 1.50Å | |
| C4 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | O | sing | 1.36Å | 1.37Å | |
| O | C | sing | 1.43Å | 1.43Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å | |
| C7 | O2 | doub | 1.21Å | 1.29Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C4 | C3 | 118.0° | 120.1° |
| O1 | C4 | C5 | 121.4° | 120.1° |
| C4 | O1 | H10 | 109.5° | 114.0° |
| C7 | C3 | C4 | 120.6° | 120.2° |
| C7 | C3 | C2 | 121.4° | 120.1° |
| C3 | C7 | H7 | 119.4° | 120.0° |
| C3 | C7 | O2 | 121.3° | 120.0° |
| C3 | C4 | C5 | 120.5° | 119.8° |
| C4 | C3 | C2 | 117.9° | 119.6° |
| C4 | C5 | C6 | 120.6° | 120.2° |
| C4 | C5 | H5 | 119.7° | 119.9° |
| C3 | C2 | C1 | 121.3° | 119.8° |
| C3 | C2 | H4 | 119.3° | 120.1° |
| C5 | C6 | C1 | 119.5° | 120.4° |
| C6 | C5 | H5 | 119.7° | 119.9° |
| C5 | C6 | H6 | 120.3° | 119.8° |
| C2 | C1 | C6 | 120.2° | 120.2° |
| C2 | C1 | O | 120.5° | 119.9° |
| C1 | C2 | H4 | 119.3° | 120.0° |
| C6 | C1 | O | 119.3° | 119.9° |
| C1 | C6 | H6 | 120.3° | 119.8° |
| C1 | O | C | 118.0° | 117.0° |
| O | C | H1 | 109.5° | 109.5° |
| O | C | H2 | 109.5° | 109.5° |
| O | C | H3 | 109.5° | 109.5° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H3 | 109.5° | 109.4° |
| H2 | C | H3 | 109.5° | 109.5° |
| H7 | C7 | O2 | 119.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C4 | C3 | C7 | 3.2° | 0.1° |
| O1 | C4 | C3 | C5 | 178.0° | 179.9° |
| O1 | C4 | C3 | C2 | 177.2° | 179.9° |
| O1 | C4 | C5 | C6 | 176.9° | 179.8° |
| O1 | C4 | C5 | H5 | 3.1° | 0.0° |
| C7 | C3 | C4 | C2 | 179.6° | 180.0° |
| C7 | C3 | C4 | C5 | 178.8° | 180.0° |
| C7 | C3 | C2 | C1 | 179.3° | 180.0° |
| C7 | C3 | C2 | H4 | 0.6° | 0.0° |
| C3 | C7 | H7 | O2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.1° | 0.3° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C4 | C3 | C2 | H4 | 179.8° | 180.0° |
| C3 | C4 | C5 | H5 | 178.9° | 180.0° |
| C4 | C3 | C7 | H7 | 168.8° | 0.0° |
| C3 | C4 | O1 | H10 | 1.8° | 90.0° |
| C4 | C3 | C7 | O2 | 11.2° | 180.0° |
| C5 | C4 | C3 | C2 | 0.8° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | C1 | 0.7° | 0.6° |
| C4 | C5 | C6 | H6 | 179.3° | 180.0° |
| C5 | C4 | O1 | H10 | 176.2° | 90.0° |
| C3 | C2 | C1 | H4 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.3° |
| C3 | C2 | C1 | O | 178.8° | 180.0° |
| C2 | C3 | C7 | H7 | 10.8° | 180.0° |
| C2 | C3 | C7 | O2 | 169.2° | 0.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.6° |
| C5 | C6 | C1 | H6 | 180.0° | 179.4° |
| C5 | C6 | C1 | O | 179.0° | 179.7° |
| C2 | C1 | C6 | O | 178.9° | 179.7° |
| C2 | C1 | O | C | 1.1° | 180.0° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C6 | C1 | O | C | 177.8° | 0.3° |
| C6 | C1 | C2 | H4 | 179.9° | 179.7° |
| C1 | C6 | C5 | H5 | 179.3° | 179.7° |
| C1 | O | C | H1 | 180.0° | 180.0° |
| C1 | O | C | H2 | 60.0° | 60.0° |
| C1 | O | C | H3 | 60.0° | 60.0° |
| O | C1 | C2 | H4 | 1.2° | 0.0° |
| O | C1 | C6 | H6 | 0.9° | 0.3° |
| O | C | H1 | H2 | 120.0° | 120.1° |
| O | C | H1 | H3 | 120.0° | 120.0° |
| O | C | H2 | H3 | 120.0° | 120.0° |
| H1 | C | H2 | H3 | 120.0° | 119.9° |
| H5 | C5 | C6 | H6 | 0.7° | 0.3° |
