23A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | O8 | doub | 1.23Å | 1.26Å | |
| C7 | C1 | sing | 1.46Å | 1.41Å | |
| C7 | H7 | sing | 1.11Å | 1.08Å | |
| C1 | C6 | doub | 1.39Å | 1.43Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.43Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.08Å | |
| C2 | O2 | sing | 1.36Å | 1.36Å | |
| C2 | C3 | doub | 1.39Å | 1.43Å | Aromatic |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.33Å | |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C7 | C1 | 119.1° | 123.0° |
| O8 | C7 | H7 | 120.5° | 119.7° |
| C1 | C7 | H7 | 120.4° | 117.3° |
| C7 | C1 | C6 | 117.6° | 119.1° |
| C7 | C1 | C2 | 122.5° | 120.9° |
| C6 | C1 | C2 | 119.9° | 120.0° |
| C1 | C6 | C5 | 120.4° | 120.0° |
| C1 | C6 | H6 | 119.8° | 120.6° |
| C1 | C2 | O2 | 123.4° | 120.3° |
| C1 | C2 | C3 | 119.1° | 120.0° |
| C5 | C6 | H6 | 119.8° | 119.4° |
| C6 | C5 | C4 | 118.5° | 120.0° |
| C6 | C5 | H5 | 120.7° | 120.0° |
| C4 | C5 | H5 | 120.8° | 120.0° |
| C5 | C4 | C3 | 121.9° | 120.0° |
| C5 | C4 | H4 | 119.0° | 119.7° |
| O2 | C2 | C3 | 117.6° | 119.7° |
| C2 | O2 | HO2 | 109.5° | 110.1° |
| C2 | C3 | C4 | 120.3° | 120.0° |
| C2 | C3 | O3 | 120.4° | 120.5° |
| C4 | C3 | O3 | 119.3° | 119.4° |
| C3 | C4 | H4 | 119.0° | 120.3° |
| C3 | O3 | HO3 | 109.5° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C7 | C1 | H7 | 180.0° | 180.0° |
| O8 | C7 | C1 | C6 | 0.2° | 180.0° |
| O8 | C7 | C1 | C2 | 179.7° | 0.0° |
| C7 | C1 | C6 | C2 | 179.9° | 180.0° |
| C7 | C1 | C6 | C5 | 179.9° | 180.0° |
| C7 | C1 | C6 | H6 | 0.1° | 0.1° |
| C7 | C1 | C2 | O2 | 0.1° | 0.0° |
| C7 | C1 | C2 | C3 | 179.9° | 180.0° |
| H7 | C7 | C1 | C6 | 179.8° | 0.0° |
| H7 | C7 | C1 | C2 | 0.4° | 180.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | C1 | C2 | O2 | 179.9° | 179.9° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | C6 | H6 | 180.0° | 179.9° |
| C1 | C2 | O2 | C3 | 180.0° | 179.9° |
| C1 | C2 | O2 | HO2 | 79.7° | 12.1° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | O3 | 179.9° | 179.9° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.0° | 0.0° |
| C6 | C5 | C4 | H4 | 180.0° | 179.9° |
| H6 | C6 | C5 | C4 | 180.0° | 179.9° |
| H6 | C6 | C5 | H5 | 0.0° | 0.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | O3 | 179.9° | 179.9° |
| H5 | C5 | C4 | C3 | 180.0° | 180.0° |
| H5 | C5 | C4 | H4 | 0.0° | 0.1° |
| O2 | C2 | C3 | C4 | 179.9° | 179.9° |
| O2 | C2 | C3 | O3 | 0.0° | 0.0° |
| C3 | C2 | O2 | HO2 | 100.3° | 167.8° |
| C2 | C3 | C4 | O3 | 179.9° | 179.9° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | O3 | HO3 | 76.9° | 2.5° |
| C4 | C3 | O3 | HO3 | 103.2° | 177.4° |
| O3 | C3 | C4 | H4 | 0.1° | 0.0° |
