FL0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.47Å | 1.49Å | |
| C3 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | O9 | doub | 1.21Å | 1.22Å | |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | BR1 | sing | 1.97Å | 1.73Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C6 | 120.1° | 120.2° |
| C5 | C4 | C3 | 117.6° | 119.8° |
| C5 | C4 | H3 | 121.2° | 120.1° |
| C4 | C5 | H4 | 120.0° | 119.9° |
| C5 | C6 | C7 | 121.9° | 120.4° |
| C6 | C5 | H4 | 120.0° | 119.9° |
| C5 | C6 | H5 | 119.0° | 119.8° |
| C4 | C3 | C2 | 119.0° | 120.2° |
| C4 | C3 | C8 | 122.9° | 119.7° |
| C3 | C4 | H3 | 121.2° | 120.1° |
| C1 | C2 | C3 | 105.1° | 120.0° |
| C1 | C2 | O9 | 124.9° | 120.0° |
| C2 | C1 | BR1 | 113.1° | 109.5° |
| C2 | C1 | H1 | 108.6° | 109.5° |
| C2 | C1 | H2 | 108.5° | 109.5° |
| C6 | C7 | C8 | 117.8° | 120.1° |
| C7 | C6 | H5 | 119.1° | 119.8° |
| C6 | C7 | H6 | 121.1° | 119.9° |
| C2 | C3 | C8 | 117.4° | 120.2° |
| C3 | C2 | O9 | 129.3° | 120.0° |
| C3 | C8 | C7 | 119.6° | 119.9° |
| C3 | C8 | H7 | 120.2° | 120.1° |
| C8 | C7 | H6 | 121.1° | 119.9° |
| C7 | C8 | H7 | 120.2° | 120.0° |
| BR1 | C1 | H1 | 108.6° | 109.5° |
| BR1 | C1 | H2 | 108.6° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 1.9° | 0.0° |
| C5 | C4 | C3 | C2 | 173.7° | 180.0° |
| C5 | C4 | C3 | C8 | 3.6° | 0.3° |
| C4 | C5 | C6 | H5 | 178.1° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.0° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.3° | 0.3° |
| C6 | C5 | C4 | H3 | 179.8° | 179.9° |
| C5 | C6 | C7 | H6 | 179.7° | 179.9° |
| C4 | C3 | C2 | C1 | 67.5° | 0.3° |
| C4 | C3 | C2 | C8 | 170.7° | 179.7° |
| C4 | C3 | C2 | O9 | 121.5° | 179.7° |
| C4 | C3 | C8 | C7 | 5.8° | 0.6° |
| C3 | C4 | C5 | H4 | 179.8° | 180.0° |
| C4 | C3 | C8 | H7 | 174.2° | 179.7° |
| C1 | C2 | C3 | O9 | 171.0° | 179.9° |
| C1 | C2 | C3 | C8 | 103.1° | 180.0° |
| C2 | C1 | BR1 | H1 | 120.5° | 120.0° |
| C2 | C1 | BR1 | H2 | 120.5° | 120.0° |
| C2 | C1 | H1 | H2 | 118.3° | 120.1° |
| C6 | C7 | C8 | C3 | 3.9° | 0.6° |
| C6 | C7 | C8 | H6 | 180.0° | 179.8° |
| C7 | C6 | C5 | H4 | 178.1° | 180.0° |
| C6 | C7 | C8 | H7 | 176.1° | 179.7° |
| C2 | C3 | C8 | C7 | 176.1° | 179.7° |
| C3 | C2 | C1 | BR1 | 121.1° | 180.0° |
| C3 | C2 | C1 | H1 | 0.5° | 60.0° |
| C3 | C2 | C1 | H2 | 118.4° | 60.0° |
| C2 | C3 | C4 | H3 | 6.2° | 0.1° |
| C2 | C3 | C8 | H7 | 3.9° | 0.0° |
| C8 | C3 | C2 | O9 | 67.8° | 0.0° |
| C3 | C8 | C7 | H7 | 180.0° | 179.8° |
| C8 | C3 | C4 | H3 | 176.4° | 179.8° |
| C3 | C8 | C7 | H6 | 176.1° | 179.7° |
| O9 | C2 | C1 | BR1 | 67.5° | 0.0° |
| O9 | C2 | C1 | H1 | 172.0° | 120.0° |
| O9 | C2 | C1 | H2 | 53.1° | 119.9° |
| C8 | C7 | C6 | H5 | 179.7° | 179.7° |
| BR1 | C1 | H1 | H2 | 118.4° | 120.0° |
| H3 | C4 | C5 | H4 | 0.2° | 0.0° |
| H4 | C5 | C6 | H5 | 1.9° | 0.0° |
| H5 | C6 | C7 | H6 | 0.3° | 0.0° |
| H6 | C7 | C8 | H7 | 3.9° | 0.1° |
