A1EFG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C6 | doub | 1.22Å | 1.23Å | |
| O3 | C6 | sing | 1.35Å | 1.22Å | |
| C6 | C5 | sing | 1.47Å | 1.45Å | |
| C4 | C5 | sing | 1.47Å | 1.43Å | Aromatic |
| C4 | C3 | doub | 1.34Å | 1.34Å | Aromatic |
| C5 | C2 | doub | 1.37Å | 1.36Å | Aromatic |
| C3 | O1 | sing | 1.34Å | 1.38Å | Aromatic |
| C2 | O1 | sing | 1.34Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C6 | O3 | 121.1° | 120.0° |
| O2 | C6 | C5 | 118.0° | 120.0° |
| O3 | C6 | C5 | 120.8° | 120.0° |
| C6 | O3 | H6 | 109.5° | 117.0° |
| C6 | C5 | C4 | 126.1° | 127.2° |
| C6 | C5 | C2 | 127.4° | 127.2° |
| C5 | C4 | C3 | 107.1° | 106.0° |
| C4 | C5 | C2 | 106.5° | 105.6° |
| C5 | C4 | H1 | 126.5° | 127.0° |
| C4 | C3 | O1 | 109.9° | 109.2° |
| C3 | C4 | H1 | 126.5° | 127.0° |
| C4 | C3 | H5 | 125.0° | 125.5° |
| C5 | C2 | O1 | 109.4° | 108.4° |
| C5 | C2 | C1 | 134.9° | 125.8° |
| C3 | O1 | C2 | 107.1° | 110.9° |
| O1 | C3 | H5 | 125.1° | 125.4° |
| O1 | C2 | C1 | 115.8° | 125.8° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H4 | 109.4° | 109.4° |
| H3 | C1 | H4 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C6 | O3 | C5 | 179.7° | 180.0° |
| O2 | C6 | C5 | C4 | 16.6° | 180.0° |
| O2 | C6 | C5 | C2 | 161.1° | 0.0° |
| O2 | C6 | O3 | H6 | 0.0° | 0.0° |
| O3 | C6 | C5 | C4 | 163.7° | 0.0° |
| O3 | C6 | C5 | C2 | 18.6° | 180.0° |
| C6 | C5 | C4 | C2 | 178.1° | 180.0° |
| C6 | C5 | C4 | C3 | 178.9° | 180.0° |
| C6 | C5 | C2 | O1 | 178.7° | 180.0° |
| C6 | C5 | C2 | C1 | 1.5° | 0.0° |
| C6 | C5 | C4 | H1 | 1.1° | 0.2° |
| C5 | C6 | O3 | H6 | 179.6° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | O1 | 0.6° | 0.0° |
| C4 | C5 | C2 | O1 | 0.7° | 0.0° |
| C4 | C5 | C2 | C1 | 179.5° | 180.0° |
| C5 | C4 | C3 | H5 | 179.4° | 180.0° |
| C3 | C4 | C5 | C2 | 0.8° | 0.0° |
| C4 | C3 | O1 | H5 | 180.0° | 180.0° |
| C4 | C3 | O1 | C2 | 0.2° | 0.0° |
| C5 | C2 | O1 | C3 | 0.3° | 0.0° |
| C5 | C2 | O1 | C1 | 179.9° | 180.0° |
| C2 | C5 | C4 | H1 | 179.2° | 179.8° |
| C5 | C2 | C1 | H2 | 179.8° | 90.0° |
| C5 | C2 | C1 | H3 | 60.2° | 150.0° |
| C5 | C2 | C1 | H4 | 59.8° | 30.0° |
| C3 | O1 | C2 | C1 | 179.9° | 180.0° |
| O1 | C3 | C4 | H1 | 179.4° | 179.8° |
| O1 | C2 | C1 | H2 | 0.0° | 90.0° |
| O1 | C2 | C1 | H3 | 120.0° | 30.0° |
| O1 | C2 | C1 | H4 | 120.0° | 150.0° |
| C2 | O1 | C3 | H5 | 179.8° | 180.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H4 | 120.0° | 120.0° |
| C2 | C1 | H3 | H4 | 120.0° | 120.0° |
| H1 | C4 | C3 | H5 | 0.6° | 0.2° |
| H2 | C1 | H3 | H4 | 120.0° | 119.9° |
