JQ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C8 | doub | 1.22Å | 1.25Å | |
| O1 | C8 | sing | 1.35Å | 1.24Å | |
| C8 | C7 | sing | 1.43Å | 1.34Å | |
| C7 | C6 | trip | 1.17Å | 1.22Å | |
| C6 | C5 | sing | 1.43Å | 1.35Å | |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C8 | O1 | 115.5° | 120.0° |
| O | C8 | C7 | 120.8° | 120.0° |
| O1 | C8 | C7 | 123.6° | 120.0° |
| C8 | O1 | H1 | 109.5° | 114.0° |
| C8 | C7 | C6 | 175.4° | 179.9° |
| C7 | C6 | C5 | 178.1° | 180.0° |
| C6 | C5 | C4 | 118.9° | 120.2° |
| C6 | C5 | C | 122.4° | 120.2° |
| C5 | C4 | C3 | 122.5° | 119.8° |
| C4 | C5 | C | 118.5° | 119.6° |
| C5 | C4 | H2 | 118.7° | 120.1° |
| C4 | C3 | C2 | 119.1° | 120.2° |
| C3 | C4 | H2 | 118.7° | 120.1° |
| C4 | C3 | H3 | 120.5° | 120.0° |
| C5 | C | C1 | 120.7° | 119.8° |
| C5 | C | H6 | 119.6° | 120.1° |
| C3 | C2 | C1 | 118.8° | 120.3° |
| C2 | C3 | H3 | 120.4° | 119.9° |
| C3 | C2 | H4 | 120.6° | 119.8° |
| C | C1 | C2 | 120.4° | 120.2° |
| C | C1 | H5 | 119.8° | 119.9° |
| C1 | C | H6 | 119.7° | 120.1° |
| C1 | C2 | H4 | 120.6° | 119.8° |
| C2 | C1 | H5 | 119.8° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C8 | O1 | C7 | 175.7° | 179.8° |
| O | C8 | C7 | C6 | 86.1° | 59.4° |
| O | C8 | O1 | H1 | 0.0° | 0.1° |
| O1 | C8 | C7 | C6 | 89.4° | 120.4° |
| C8 | C7 | C6 | C5 | 57.8° | 137.8° |
| C7 | C8 | O1 | H1 | 175.7° | 179.7° |
| C7 | C6 | C5 | C4 | 0.7° | 162.5° |
| C7 | C6 | C5 | C | 176.1° | 17.1° |
| C6 | C5 | C4 | C | 175.6° | 179.7° |
| C6 | C5 | C4 | C3 | 175.8° | 180.0° |
| C6 | C5 | C | C1 | 176.3° | 179.8° |
| C6 | C5 | C4 | H2 | 4.2° | 0.1° |
| C6 | C5 | C | H6 | 3.7° | 0.1° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 1.6° | 0.0° |
| C4 | C5 | C | C1 | 0.9° | 0.6° |
| C5 | C4 | C3 | H3 | 178.4° | 180.0° |
| C4 | C5 | C | H6 | 179.1° | 179.7° |
| C3 | C4 | C5 | C | 0.2° | 0.3° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 2.6° | 0.0° |
| C4 | C3 | C2 | H4 | 177.4° | 180.0° |
| C5 | C | C1 | H6 | 180.0° | 179.7° |
| C5 | C | C1 | C2 | 0.2° | 0.6° |
| C | C5 | C4 | H2 | 179.8° | 179.8° |
| C5 | C | C1 | H5 | 179.9° | 179.7° |
| C3 | C2 | C1 | C | 1.9° | 0.3° |
| C3 | C2 | C1 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | H2 | 178.4° | 180.0° |
| C3 | C2 | C1 | H5 | 178.1° | 180.0° |
| C | C1 | C2 | H5 | 180.0° | 179.7° |
| C | C1 | C2 | H4 | 178.0° | 179.7° |
| C1 | C2 | C3 | H3 | 177.4° | 180.0° |
| C2 | C1 | C | H6 | 179.8° | 179.7° |
| H2 | C4 | C3 | H3 | 1.5° | 0.0° |
| H3 | C3 | C2 | H4 | 2.6° | 0.0° |
| H4 | C2 | C1 | H5 | 1.9° | 0.0° |
| H5 | C1 | C | H6 | 0.2° | 0.0° |
