8OZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C8 | doub | 1.21Å | 1.31Å | |
| O | C8 | sing | 1.35Å | 1.21Å | |
| C8 | C1 | sing | 1.48Å | 1.50Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.48Å | 1.49Å | |
| C1 | C | doub | 1.34Å | 1.32Å | |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C | H5 | sing | 1.08Å | 1.08Å | |
| C | H6 | sing | 1.08Å | 1.08Å | |
| O | H7 | sing | 0.97Å | 0.95Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C8 | O | 122.4° | 120.1° |
| O1 | C8 | C1 | 117.1° | 120.0° |
| O | C8 | C1 | 120.4° | 120.0° |
| C8 | O | H7 | 109.5° | 117.0° |
| C8 | C1 | C2 | 118.7° | 120.0° |
| C8 | C1 | C | 120.5° | 120.0° |
| C4 | C3 | C2 | 120.2° | 119.9° |
| C3 | C4 | C5 | 120.5° | 120.1° |
| C3 | C4 | H1 | 119.7° | 120.0° |
| C4 | C3 | H8 | 119.9° | 120.0° |
| C3 | C2 | C1 | 120.7° | 120.1° |
| C3 | C2 | C7 | 118.8° | 119.7° |
| C2 | C3 | H8 | 119.9° | 120.0° |
| C2 | C1 | C | 120.7° | 120.0° |
| C1 | C2 | C7 | 120.4° | 120.1° |
| C1 | C | H5 | 120.0° | 120.0° |
| C1 | C | H6 | 120.0° | 120.0° |
| C4 | C5 | C6 | 119.7° | 120.2° |
| C5 | C4 | H1 | 119.8° | 119.9° |
| C4 | C5 | H2 | 120.2° | 119.9° |
| C2 | C7 | C6 | 120.4° | 119.9° |
| C2 | C7 | H4 | 119.8° | 120.0° |
| C5 | C6 | C7 | 120.3° | 120.1° |
| C6 | C5 | H2 | 120.2° | 119.9° |
| C5 | C6 | H3 | 119.9° | 120.0° |
| C7 | C6 | H3 | 119.8° | 119.9° |
| C6 | C7 | H4 | 119.8° | 120.1° |
| H5 | C | H6 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C8 | O | C1 | 178.9° | 179.9° |
| O1 | C8 | C1 | C2 | 9.5° | 180.0° |
| O1 | C8 | C1 | C | 168.8° | 0.0° |
| O1 | C8 | O | H7 | 0.0° | 0.1° |
| O | C8 | C1 | C2 | 171.6° | 0.0° |
| O | C8 | C1 | C | 10.1° | 179.9° |
| C8 | C1 | C2 | C3 | 46.3° | 65.2° |
| C8 | C1 | C2 | C | 178.3° | 180.0° |
| C8 | C1 | C2 | C7 | 137.8° | 114.9° |
| C8 | C1 | C | H5 | 178.2° | 179.9° |
| C8 | C1 | C | H6 | 1.7° | 0.1° |
| C1 | C8 | O | H7 | 178.9° | 180.0° |
| C4 | C3 | C2 | H8 | 180.0° | 179.5° |
| C4 | C3 | C2 | C1 | 174.5° | 179.7° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C4 | C3 | C2 | C7 | 1.4° | 0.5° |
| C3 | C4 | C5 | C6 | 0.6° | 0.3° |
| C3 | C4 | C5 | H2 | 179.4° | 179.8° |
| C3 | C2 | C1 | C7 | 175.9° | 179.8° |
| C3 | C2 | C1 | C | 135.4° | 114.8° |
| C2 | C3 | C4 | C5 | 0.6° | 0.5° |
| C3 | C2 | C7 | C6 | 1.2° | 0.1° |
| C2 | C3 | C4 | H1 | 179.4° | 179.8° |
| C3 | C2 | C7 | H4 | 178.8° | 179.8° |
| C1 | C2 | C7 | C6 | 174.8° | 180.0° |
| C1 | C2 | C7 | H4 | 5.2° | 0.0° |
| C2 | C1 | C | H5 | 0.0° | 0.1° |
| C2 | C1 | C | H6 | 180.0° | 179.9° |
| C1 | C2 | C3 | H8 | 5.5° | 0.2° |
| C | C1 | C2 | C7 | 40.5° | 65.0° |
| C1 | C | H5 | H6 | 180.0° | 179.8° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.9° | 0.1° |
| C4 | C5 | C6 | H3 | 179.1° | 180.0° |
| C5 | C4 | C3 | H8 | 179.4° | 180.0° |
| C2 | C7 | C6 | C5 | 0.0° | 0.1° |
| C2 | C7 | C6 | H4 | 180.0° | 179.9° |
| C2 | C7 | C6 | H3 | 180.0° | 180.0° |
| C7 | C2 | C3 | H8 | 178.5° | 180.0° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 179.4° | 180.0° |
| C5 | C6 | C7 | H4 | 179.9° | 179.9° |
| C7 | C6 | C5 | H2 | 179.1° | 179.9° |
| H1 | C4 | C5 | H2 | 0.6° | 0.1° |
| H1 | C4 | C3 | H8 | 0.6° | 0.3° |
| H2 | C5 | C6 | H3 | 0.9° | 0.0° |
| H3 | C6 | C7 | H4 | 0.1° | 0.0° |
