AW5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C3 | sing | 1.36Å | 1.37Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| O1 | C7 | doub | 1.22Å | 1.29Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.50Å | |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | O2 | sing | 1.35Å | 1.24Å | |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.51Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| O | H5 | sing | 0.97Å | 0.95Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C3 | C4 | 121.4° | 120.0° |
| O | C3 | C2 | 117.5° | 120.0° |
| C3 | O | H5 | 109.5° | 114.0° |
| C4 | C3 | C2 | 120.9° | 120.1° |
| C3 | C4 | C5 | 119.4° | 119.8° |
| C3 | C4 | H4 | 120.3° | 120.1° |
| C3 | C2 | C1 | 120.0° | 120.2° |
| C3 | C2 | H3 | 120.0° | 119.9° |
| C4 | C5 | C7 | 120.1° | 120.1° |
| C4 | C5 | C6 | 119.3° | 119.7° |
| C5 | C4 | H4 | 120.3° | 120.1° |
| O1 | C7 | C5 | 114.7° | 120.0° |
| O1 | C7 | O2 | 122.0° | 120.0° |
| C2 | C1 | C6 | 118.7° | 120.3° |
| C2 | C1 | C | 120.4° | 119.9° |
| C1 | C2 | H3 | 120.0° | 119.9° |
| C7 | C5 | C6 | 120.4° | 120.1° |
| C5 | C7 | O2 | 122.6° | 120.0° |
| C5 | C6 | C1 | 121.4° | 119.9° |
| C5 | C6 | H2 | 119.3° | 120.0° |
| C7 | O2 | H1 | 109.5° | 117.0° |
| C6 | C1 | C | 120.8° | 119.8° |
| C1 | C6 | H2 | 119.3° | 120.1° |
| C1 | C | H6 | 109.5° | 109.5° |
| C1 | C | H7 | 109.5° | 109.4° |
| C1 | C | H8 | 109.5° | 109.5° |
| H6 | C | H7 | 109.4° | 109.5° |
| H6 | C | H8 | 109.5° | 109.5° |
| H7 | C | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C3 | C4 | C2 | 175.2° | 179.8° |
| O | C3 | C4 | C5 | 170.6° | 180.0° |
| O | C3 | C2 | C1 | 175.4° | 180.0° |
| O | C3 | C2 | H3 | 4.6° | 0.1° |
| O | C3 | C4 | H4 | 9.4° | 0.2° |
| C3 | C4 | C5 | H4 | 180.0° | 179.8° |
| C4 | C3 | C2 | C1 | 0.0° | 0.2° |
| C3 | C4 | C5 | C7 | 168.5° | 180.0° |
| C3 | C4 | C5 | C6 | 5.9° | 0.1° |
| C4 | C3 | C2 | H3 | 180.0° | 179.8° |
| C4 | C3 | O | H5 | 180.0° | 89.9° |
| C2 | C3 | C4 | C5 | 4.6° | 0.2° |
| C3 | C2 | C1 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 3.2° | 0.0° |
| C3 | C2 | C1 | C | 174.6° | 179.9° |
| C2 | C3 | C4 | H4 | 175.4° | 179.9° |
| C2 | C3 | O | H5 | 4.6° | 90.2° |
| C4 | C5 | C7 | O1 | 8.7° | 180.0° |
| C4 | C5 | C7 | C6 | 174.3° | 180.0° |
| C4 | C5 | C7 | O2 | 161.8° | 0.0° |
| C4 | C5 | C6 | C1 | 2.7° | 0.3° |
| C4 | C5 | C6 | H2 | 177.3° | 180.0° |
| O1 | C7 | C5 | O2 | 170.5° | 180.0° |
| O1 | C7 | C5 | C6 | 176.9° | 0.1° |
| O1 | C7 | O2 | H1 | 0.0° | 0.0° |
| C2 | C1 | C6 | C5 | 1.9° | 0.3° |
| C2 | C1 | C6 | C | 177.8° | 180.0° |
| C2 | C1 | C6 | H2 | 178.1° | 180.0° |
| C2 | C1 | C | H6 | 88.9° | 90.0° |
| C2 | C1 | C | H7 | 151.1° | 30.0° |
| C2 | C1 | C | H8 | 31.1° | 150.0° |
| C7 | C5 | C6 | C1 | 171.7° | 179.8° |
| C5 | C7 | O2 | H1 | 169.8° | 180.0° |
| C7 | C5 | C6 | H2 | 8.3° | 0.0° |
| C7 | C5 | C4 | H4 | 11.5° | 0.3° |
| C6 | C5 | C7 | O2 | 12.6° | 180.0° |
| C5 | C6 | C1 | H2 | 180.0° | 179.7° |
| C5 | C6 | C1 | C | 175.9° | 179.7° |
| C6 | C5 | C4 | H4 | 174.1° | 179.7° |
| C6 | C1 | C2 | H3 | 176.7° | 180.0° |
| C6 | C1 | C | H6 | 88.9° | 90.0° |
| C6 | C1 | C | H7 | 31.1° | 150.0° |
| C6 | C1 | C | H8 | 151.1° | 30.0° |
| C | C1 | C6 | H2 | 4.1° | 0.0° |
| C | C1 | C2 | H3 | 5.4° | 0.0° |
| C1 | C | H6 | H7 | 120.0° | 119.9° |
| C1 | C | H6 | H8 | 120.0° | 120.0° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| H6 | C | H7 | H8 | 120.0° | 120.1° |
