L8U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| BR2 | C02 | sing | 1.89Å | 1.94Å | |
| C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C08 | BR1 | sing | 1.97Å | 1.94Å | |
| C05 | C07 | sing | 1.47Å | 1.53Å | |
| C05 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | O09 | doub | 1.21Å | 1.19Å | |
| C04 | O10 | sing | 1.36Å | 1.40Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| O10 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C01 | C02 | 120.0° | 120.3° |
| C01 | C06 | C05 | 120.0° | 119.9° |
| C06 | C01 | H1 | 120.0° | 119.9° |
| C01 | C06 | H3 | 120.0° | 120.0° |
| C01 | C02 | BR2 | 120.0° | 119.8° |
| C01 | C02 | C03 | 120.0° | 120.4° |
| C02 | C01 | H1 | 120.0° | 119.9° |
| BR2 | C02 | C03 | 120.0° | 119.8° |
| C06 | C05 | C07 | 120.0° | 120.2° |
| C06 | C05 | C04 | 120.0° | 119.6° |
| C05 | C06 | H3 | 120.0° | 120.0° |
| C02 | C03 | C04 | 120.0° | 120.1° |
| C02 | C03 | H2 | 120.0° | 120.0° |
| C07 | C08 | BR1 | 109.5° | 109.5° |
| C08 | C07 | C05 | 120.0° | 120.0° |
| C08 | C07 | O09 | 120.0° | 120.0° |
| C07 | C08 | H4 | 109.5° | 109.5° |
| C07 | C08 | H5 | 109.5° | 109.5° |
| BR1 | C08 | H4 | 109.5° | 109.5° |
| BR1 | C08 | H5 | 109.5° | 109.4° |
| C07 | C05 | C04 | 120.0° | 120.2° |
| C05 | C07 | O09 | 120.0° | 120.0° |
| C05 | C04 | C03 | 120.0° | 119.7° |
| C05 | C04 | O10 | 120.0° | 120.2° |
| C03 | C04 | O10 | 120.0° | 120.2° |
| C04 | C03 | H2 | 120.0° | 119.9° |
| C04 | O10 | H6 | 109.5° | 114.0° |
| H4 | C08 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C01 | C02 | H1 | 180.0° | 179.7° |
| C06 | C01 | C02 | BR2 | 180.0° | 180.0° |
| C01 | C06 | C05 | H3 | 180.0° | 180.0° |
| C06 | C01 | C02 | C03 | 0.0° | 0.0° |
| C01 | C06 | C05 | C07 | 180.0° | 180.0° |
| C01 | C06 | C05 | C04 | 0.0° | 0.0° |
| C01 | C02 | BR2 | C03 | 180.0° | 179.9° |
| C02 | C01 | C06 | C05 | 0.0° | 0.0° |
| C01 | C02 | C03 | C04 | 0.0° | 0.1° |
| C01 | C02 | C03 | H2 | 180.0° | 180.0° |
| C02 | C01 | C06 | H3 | 180.0° | 180.0° |
| BR2 | C02 | C03 | C04 | 180.0° | 180.0° |
| BR2 | C02 | C01 | H1 | 0.0° | 0.3° |
| BR2 | C02 | C03 | H2 | 0.0° | 0.1° |
| C06 | C05 | C07 | C08 | 0.3° | 0.0° |
| C06 | C05 | C07 | C04 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.1° | 0.1° |
| C06 | C05 | C07 | O09 | 179.8° | 180.0° |
| C06 | C05 | C04 | O10 | 180.0° | 180.0° |
| C05 | C06 | C01 | H1 | 180.0° | 179.8° |
| C02 | C03 | C04 | C05 | 0.0° | 0.1° |
| C02 | C03 | C04 | H2 | 180.0° | 179.9° |
| C02 | C03 | C04 | O10 | 180.0° | 180.0° |
| C03 | C02 | C01 | H1 | 180.0° | 179.8° |
| C07 | C08 | BR1 | H4 | 120.0° | 120.0° |
| C07 | C08 | BR1 | H5 | 120.0° | 119.9° |
| C08 | C07 | C05 | O09 | 180.0° | 180.0° |
| C08 | C07 | C05 | C04 | 179.7° | 179.9° |
| C07 | C08 | H4 | H5 | 120.0° | 120.0° |
| BR1 | C08 | C07 | C05 | 169.9° | 180.0° |
| BR1 | C08 | C07 | O09 | 10.2° | 0.0° |
| BR1 | C08 | H4 | H5 | 120.0° | 120.0° |
| C07 | C05 | C04 | C03 | 180.0° | 180.0° |
| C07 | C05 | C04 | O10 | 0.0° | 0.0° |
| C07 | C05 | C06 | H3 | 0.0° | 0.0° |
| C05 | C07 | C08 | H4 | 70.1° | 60.0° |
| C05 | C07 | C08 | H5 | 49.9° | 60.1° |
| C05 | C04 | C03 | O10 | 179.9° | 179.9° |
| C04 | C05 | C07 | O09 | 0.3° | 0.0° |
| C05 | C04 | C03 | H2 | 180.0° | 180.0° |
| C04 | C05 | C06 | H3 | 180.0° | 180.0° |
| C05 | C04 | O10 | H6 | 0.1° | 90.0° |
| C03 | C04 | O10 | H6 | 179.8° | 90.0° |
| O09 | C07 | C08 | H4 | 109.9° | 120.0° |
| O09 | C07 | C08 | H5 | 130.2° | 119.9° |
| O10 | C04 | C03 | H2 | 0.0° | 0.1° |
| H1 | C01 | C06 | H3 | 0.0° | 0.3° |
