8A2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C9 | doub | 1.21Å | 1.19Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| F5 | C4 | sing | 1.35Å | 1.34Å | |
| C7 | C6 | sing | 1.51Å | 1.44Å | |
| C4 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | BR2 | sing | 1.89Å | 1.97Å | |
| C12 | F13 | sing | 1.35Å | 1.32Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C9 | C8 | 119.2° | 120.0° |
| O10 | C9 | H6 | 120.4° | 120.0° |
| C9 | C8 | C7 | 115.3° | 109.5° |
| C9 | C8 | H4 | 108.0° | 109.5° |
| C9 | C8 | H5 | 108.0° | 109.5° |
| C8 | C9 | H6 | 120.4° | 120.0° |
| C8 | C7 | C6 | 118.7° | 109.5° |
| C8 | C7 | H2 | 107.1° | 109.5° |
| C8 | C7 | H3 | 107.1° | 109.4° |
| C7 | C8 | H4 | 108.0° | 109.5° |
| C7 | C8 | H5 | 108.0° | 109.4° |
| F5 | C4 | C6 | 121.0° | 120.0° |
| F5 | C4 | C3 | 117.2° | 120.0° |
| C7 | C6 | C4 | 124.7° | 120.0° |
| C7 | C6 | C11 | 118.0° | 120.0° |
| C6 | C7 | H2 | 107.1° | 109.5° |
| C6 | C7 | H3 | 107.1° | 109.5° |
| C6 | C4 | C3 | 121.8° | 120.0° |
| C4 | C6 | C11 | 117.3° | 120.0° |
| C4 | C3 | C1 | 118.6° | 120.0° |
| C4 | C3 | H1 | 120.7° | 120.0° |
| C6 | C11 | C12 | 122.3° | 120.0° |
| C6 | C11 | H7 | 118.8° | 120.0° |
| C3 | C1 | C12 | 119.2° | 120.0° |
| C3 | C1 | BR2 | 120.6° | 120.0° |
| C1 | C3 | H1 | 120.7° | 120.0° |
| C11 | C12 | C1 | 120.7° | 120.0° |
| C11 | C12 | F13 | 118.1° | 120.0° |
| C12 | C11 | H7 | 118.9° | 120.0° |
| C12 | C1 | BR2 | 120.2° | 120.0° |
| C1 | C12 | F13 | 121.2° | 120.0° |
| H2 | C7 | H3 | 109.5° | 109.4° |
| H4 | C8 | H5 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C9 | C8 | H6 | 180.0° | 180.0° |
| O10 | C9 | C8 | C7 | 174.0° | 125.0° |
| O10 | C9 | C8 | H4 | 53.1° | 5.0° |
| O10 | C9 | C8 | H5 | 65.2° | 115.0° |
| C9 | C8 | C7 | H4 | 120.9° | 120.0° |
| C9 | C8 | C7 | H5 | 120.8° | 120.0° |
| C9 | C8 | C7 | C6 | 156.5° | 180.0° |
| C9 | C8 | C7 | H2 | 82.2° | 60.0° |
| C9 | C8 | C7 | H3 | 35.2° | 60.0° |
| C9 | C8 | H4 | H5 | 117.4° | 120.0° |
| C8 | C7 | C6 | H2 | 121.3° | 120.1° |
| C8 | C7 | C6 | H3 | 121.3° | 119.9° |
| C8 | C7 | C6 | C4 | 25.9° | 85.0° |
| C8 | C7 | C6 | C11 | 152.4° | 95.0° |
| C8 | C7 | H2 | H3 | 115.8° | 119.9° |
| C7 | C8 | H4 | H5 | 117.3° | 119.9° |
| C7 | C8 | C9 | H6 | 6.0° | 55.0° |
| F5 | C4 | C6 | C7 | 1.3° | 0.0° |
| F5 | C4 | C6 | C3 | 179.0° | 180.0° |
| F5 | C4 | C6 | C11 | 179.6° | 180.0° |
| F5 | C4 | C3 | C1 | 179.5° | 180.0° |
| F5 | C4 | C3 | H1 | 0.5° | 0.0° |
| C7 | C6 | C4 | C11 | 178.3° | 180.0° |
| C7 | C6 | C4 | C3 | 177.7° | 180.0° |
| C7 | C6 | C11 | C12 | 178.2° | 180.0° |
| C6 | C7 | H2 | H3 | 115.8° | 120.0° |
| C6 | C7 | C8 | H4 | 35.6° | 59.9° |
| C6 | C7 | C8 | H5 | 82.7° | 60.0° |
| C7 | C6 | C11 | H7 | 1.8° | 0.0° |
| C6 | C4 | C3 | C1 | 0.4° | 0.0° |
| C4 | C6 | C11 | C12 | 0.2° | 0.0° |
| C6 | C4 | C3 | H1 | 179.6° | 180.0° |
| C4 | C6 | C7 | H2 | 147.2° | 154.9° |
| C4 | C6 | C7 | H3 | 95.5° | 35.0° |
| C4 | C6 | C11 | H7 | 179.8° | 180.0° |
| C3 | C4 | C6 | C11 | 0.6° | 0.0° |
| C4 | C3 | C1 | H1 | 180.0° | 180.0° |
| C4 | C3 | C1 | C12 | 0.1° | 0.0° |
| C4 | C3 | C1 | BR2 | 180.0° | 179.7° |
| C6 | C11 | C12 | H7 | 180.0° | 180.0° |
| C6 | C11 | C12 | C1 | 0.4° | 0.1° |
| C6 | C11 | C12 | F13 | 179.3° | 179.7° |
| C11 | C6 | C7 | H2 | 31.1° | 25.0° |
| C11 | C6 | C7 | H3 | 86.2° | 145.0° |
| C3 | C1 | C12 | C11 | 0.5° | 0.1° |
| C3 | C1 | C12 | BR2 | 179.9° | 179.7° |
| C3 | C1 | C12 | F13 | 179.1° | 179.7° |
| C11 | C12 | C1 | F13 | 179.7° | 179.8° |
| C11 | C12 | C1 | BR2 | 179.6° | 179.7° |
| C12 | C1 | C3 | H1 | 179.9° | 180.0° |
| C1 | C12 | C11 | H7 | 179.6° | 180.0° |
| BR2 | C1 | C12 | F13 | 0.7° | 0.0° |
| BR2 | C1 | C3 | H1 | 0.0° | 0.3° |
| F13 | C12 | C11 | H7 | 0.7° | 0.3° |
| H2 | C7 | C8 | H4 | 156.9° | 180.0° |
| H2 | C7 | C8 | H5 | 38.6° | 60.0° |
| H3 | C7 | C8 | H4 | 85.7° | 60.0° |
| H3 | C7 | C8 | H5 | 156.0° | 180.0° |
| H4 | C8 | C9 | H6 | 126.9° | 175.0° |
| H5 | C8 | C9 | H6 | 114.8° | 65.0° |
