341
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | F7 | sing | 1.35Å | 1.35Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C9 | sing | 1.51Å | 1.51Å | |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | F8 | sing | 1.35Å | 1.34Å | |
| C9 | O10 | sing | 1.43Å | 1.44Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 120.0° | 120.0° |
| C4 | C3 | F7 | 121.3° | 120.0° |
| C3 | C4 | C5 | 119.8° | 120.0° |
| C3 | C4 | H4 | 120.1° | 120.0° |
| C2 | C3 | F7 | 118.7° | 120.0° |
| C3 | C2 | C1 | 120.0° | 119.9° |
| C3 | C2 | H2 | 120.0° | 120.1° |
| C4 | C5 | C6 | 120.1° | 120.1° |
| C4 | C5 | C9 | 121.4° | 120.0° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| C6 | C5 | C9 | 118.5° | 120.0° |
| C5 | C6 | C1 | 119.7° | 120.0° |
| C5 | C6 | H6 | 120.2° | 120.0° |
| C5 | C9 | O10 | 107.3° | 109.5° |
| C5 | C9 | H9 | 110.2° | 109.5° |
| C5 | C9 | H9A | 110.7° | 109.5° |
| C6 | C1 | C2 | 120.4° | 120.0° |
| C6 | C1 | F8 | 119.7° | 120.0° |
| C1 | C6 | H6 | 120.1° | 120.0° |
| C2 | C1 | F8 | 119.8° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| O10 | C9 | H9 | 110.2° | 109.5° |
| O10 | C9 | H9A | 110.7° | 109.4° |
| C9 | O10 | HO10 | 109.5° | 114.0° |
| H9 | C9 | H9A | 107.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | F7 | 179.9° | 179.8° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C3 | C4 | C5 | C9 | 179.2° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.1° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C3 | C2 | C1 | C6 | 0.0° | 0.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | F8 | 179.6° | 180.0° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| F7 | C3 | C4 | C5 | 180.0° | 179.7° |
| F7 | C3 | C2 | C1 | 179.9° | 179.8° |
| F7 | C3 | C4 | H4 | 0.0° | 0.2° |
| F7 | C3 | C2 | H2 | 0.0° | 0.2° |
| C4 | C5 | C6 | C9 | 179.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.3° | 0.0° |
| C4 | C5 | C9 | O10 | 106.8° | 90.0° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| C4 | C5 | C9 | H9 | 13.2° | 149.9° |
| C4 | C5 | C9 | H9A | 132.4° | 29.9° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.2° | 0.0° |
| C5 | C6 | C1 | F8 | 179.9° | 180.0° |
| C6 | C5 | C9 | O10 | 72.2° | 90.1° |
| C6 | C5 | C4 | H4 | 179.8° | 180.0° |
| C6 | C5 | C9 | H9 | 167.8° | 30.0° |
| C6 | C5 | C9 | H9A | 48.6° | 150.0° |
| C9 | C5 | C6 | C1 | 179.4° | 179.9° |
| C5 | C9 | O10 | H9 | 120.0° | 120.1° |
| C5 | C9 | O10 | H9A | 120.8° | 120.0° |
| C9 | C5 | C4 | H4 | 0.8° | 0.1° |
| C9 | C5 | C6 | H6 | 0.7° | 0.0° |
| C5 | C9 | H9 | H9A | 120.9° | 120.0° |
| C5 | C9 | O10 | HO10 | 21.3° | 180.0° |
| C6 | C1 | C2 | F8 | 179.6° | 180.0° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C2 | C1 | C6 | H6 | 179.8° | 180.0° |
| F8 | C1 | C6 | H6 | 0.1° | 0.0° |
| F8 | C1 | C2 | H2 | 0.4° | 0.1° |
| O10 | C9 | H9 | H9A | 120.9° | 119.9° |
| H9 | C9 | O10 | HO10 | 141.4° | 59.9° |
| H9A | C9 | O10 | HO10 | 99.5° | 60.0° |
