K8J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C11 | doub | 1.21Å | 1.26Å | |
| O01 | C02 | doub | 1.21Å | 1.25Å | |
| C11 | C10 | sing | 1.48Å | 1.52Å | |
| C11 | O12 | sing | 1.35Å | 1.25Å | |
| C10 | C09 | doub | 1.39Å | 1.37Å | Aromatic |
| C10 | C04 | sing | 1.41Å | 1.39Å | Aromatic |
| C02 | C04 | sing | 1.48Å | 1.52Å | |
| C02 | O03 | sing | 1.35Å | 1.26Å | |
| C09 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.38Å | Aromatic |
| C07 | F08 | sing | 1.35Å | 1.37Å | |
| C07 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H3 | sing | 1.08Å | 1.08Å | |
| O03 | H4 | sing | 0.97Å | 0.95Å | |
| O12 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C11 | C10 | 118.2° | 120.0° |
| O13 | C11 | O12 | 120.9° | 120.0° |
| O01 | C02 | C04 | 120.6° | 120.0° |
| O01 | C02 | O03 | 121.3° | 120.0° |
| C10 | C11 | O12 | 120.9° | 120.0° |
| C11 | C10 | C09 | 117.6° | 120.2° |
| C11 | C10 | C04 | 121.7° | 120.2° |
| C11 | O12 | H5 | 109.5° | 117.0° |
| C09 | C10 | C04 | 120.7° | 119.6° |
| C10 | C09 | C07 | 119.8° | 119.9° |
| C10 | C09 | H3 | 120.1° | 120.0° |
| C10 | C04 | C02 | 121.4° | 120.2° |
| C10 | C04 | C05 | 119.8° | 119.6° |
| C04 | C02 | O03 | 118.0° | 120.0° |
| C02 | C04 | C05 | 118.8° | 120.2° |
| C02 | O03 | H4 | 109.5° | 117.0° |
| C09 | C07 | F08 | 119.7° | 119.8° |
| C09 | C07 | C06 | 119.7° | 120.4° |
| C07 | C09 | H3 | 120.1° | 120.1° |
| C04 | C05 | C06 | 119.3° | 120.1° |
| C04 | C05 | H1 | 120.3° | 120.0° |
| F08 | C07 | C06 | 120.7° | 119.8° |
| C07 | C06 | C05 | 120.8° | 120.3° |
| C07 | C06 | H2 | 119.6° | 119.8° |
| C06 | C05 | H1 | 120.3° | 119.9° |
| C05 | C06 | H2 | 119.6° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C11 | C10 | O12 | 177.9° | 180.0° |
| O13 | C11 | C10 | C09 | 128.3° | 173.8° |
| O13 | C11 | C10 | C04 | 49.5° | 5.8° |
| O13 | C11 | O12 | H5 | 0.0° | 0.1° |
| O01 | C02 | C04 | C10 | 132.2° | 55.0° |
| O01 | C02 | C04 | O03 | 176.2° | 179.9° |
| O01 | C02 | C04 | C05 | 49.5° | 124.9° |
| O01 | C02 | O03 | H4 | 0.0° | 0.0° |
| C11 | C10 | C09 | C04 | 177.9° | 179.6° |
| C11 | C10 | C04 | C02 | 3.2° | 0.3° |
| C11 | C10 | C09 | C07 | 178.6° | 179.7° |
| C11 | C10 | C04 | C05 | 178.6° | 179.7° |
| C11 | C10 | C09 | H3 | 1.4° | 0.3° |
| C10 | C11 | O12 | H5 | 177.8° | 180.0° |
| O12 | C11 | C10 | C09 | 49.6° | 6.2° |
| O12 | C11 | C10 | C04 | 132.6° | 174.2° |
| C09 | C10 | C04 | C02 | 179.1° | 180.0° |
| C10 | C09 | C07 | H3 | 180.0° | 180.0° |
| C09 | C10 | C04 | C05 | 0.8° | 0.1° |
| C10 | C09 | C07 | F08 | 179.8° | 179.9° |
| C10 | C09 | C07 | C06 | 0.3° | 0.0° |
| C10 | C04 | C02 | C05 | 178.3° | 179.9° |
| C10 | C04 | C02 | O03 | 51.5° | 125.0° |
| C04 | C10 | C09 | C07 | 0.7° | 0.1° |
| C10 | C04 | C05 | C06 | 0.4° | 0.1° |
| C10 | C04 | C05 | H1 | 179.5° | 180.0° |
| C04 | C10 | C09 | H3 | 179.3° | 179.9° |
| C02 | C04 | C05 | C06 | 178.7° | 180.0° |
| C02 | C04 | C05 | H1 | 1.2° | 0.0° |
| C04 | C02 | O03 | H4 | 176.2° | 180.0° |
| O03 | C02 | C04 | C05 | 126.7° | 55.0° |
| C09 | C07 | F08 | C06 | 179.5° | 179.9° |
| C09 | C07 | C06 | C05 | 0.1° | 0.0° |
| C09 | C07 | C06 | H2 | 179.9° | 180.0° |
| C04 | C05 | C06 | C07 | 0.0° | 0.0° |
| C04 | C05 | C06 | H1 | 180.0° | 180.0° |
| C04 | C05 | C06 | H2 | 180.0° | 180.0° |
| F08 | C07 | C06 | C05 | 179.5° | 180.0° |
| F08 | C07 | C06 | H2 | 0.5° | 0.0° |
| F08 | C07 | C09 | H3 | 0.2° | 0.1° |
| C07 | C06 | C05 | H2 | 180.0° | 180.0° |
| C07 | C06 | C05 | H1 | 180.0° | 179.9° |
| C06 | C07 | C09 | H3 | 179.7° | 180.0° |
| H1 | C05 | C06 | H2 | 0.0° | 0.1° |
