7WV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C07 | doub | 1.21Å | 1.25Å | |
| BR1 | C04 | sing | 1.89Å | 1.97Å | |
| C07 | O09 | sing | 1.35Å | 1.26Å | |
| C07 | C05 | sing | 1.48Å | 1.56Å | |
| C05 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C01 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.37Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| O09 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C07 | O09 | 127.2° | 120.0° |
| O08 | C07 | C05 | 115.1° | 120.0° |
| BR1 | C04 | C05 | 122.2° | 120.1° |
| BR1 | C04 | C03 | 114.5° | 120.1° |
| O09 | C07 | C05 | 117.7° | 120.0° |
| C07 | O09 | H5 | 109.5° | 117.0° |
| C07 | C05 | C04 | 126.7° | 120.1° |
| C07 | C05 | C06 | 116.4° | 120.2° |
| C04 | C05 | C06 | 116.9° | 119.7° |
| C05 | C04 | C03 | 123.3° | 119.8° |
| C05 | C06 | C01 | 120.6° | 119.9° |
| C05 | C06 | H4 | 119.7° | 120.0° |
| C04 | C03 | C02 | 118.1° | 120.2° |
| C04 | C03 | H3 | 121.0° | 119.9° |
| C06 | C01 | C02 | 120.6° | 120.2° |
| C06 | C01 | H1 | 119.7° | 119.9° |
| C01 | C06 | H4 | 119.7° | 120.1° |
| C03 | C02 | C01 | 120.5° | 120.3° |
| C03 | C02 | H2 | 119.7° | 119.8° |
| C02 | C03 | H3 | 121.0° | 119.9° |
| C02 | C01 | H1 | 119.7° | 119.9° |
| C01 | C02 | H2 | 119.7° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C07 | O09 | C05 | 178.1° | 180.0° |
| O08 | C07 | C05 | C04 | 22.0° | 0.0° |
| O08 | C07 | C05 | C06 | 158.3° | 179.8° |
| O08 | C07 | O09 | H5 | 0.0° | 0.0° |
| BR1 | C04 | C05 | C07 | 0.3° | 0.0° |
| BR1 | C04 | C05 | C03 | 179.8° | 180.0° |
| BR1 | C04 | C05 | C06 | 179.4° | 179.8° |
| BR1 | C04 | C03 | C02 | 179.5° | 180.0° |
| BR1 | C04 | C03 | H3 | 0.5° | 0.0° |
| O09 | C07 | C05 | C04 | 159.6° | 180.0° |
| O09 | C07 | C05 | C06 | 20.1° | 0.1° |
| C07 | C05 | C04 | C06 | 179.7° | 179.9° |
| C07 | C05 | C04 | C03 | 179.8° | 180.0° |
| C07 | C05 | C06 | C01 | 179.4° | 179.7° |
| C07 | C05 | C06 | H4 | 0.6° | 0.1° |
| C05 | C07 | O09 | H5 | 178.1° | 180.0° |
| C04 | C05 | C06 | C01 | 0.8° | 0.5° |
| C05 | C04 | C03 | C02 | 0.3° | 0.0° |
| C05 | C04 | C03 | H3 | 179.7° | 180.0° |
| C04 | C05 | C06 | H4 | 179.2° | 179.9° |
| C06 | C05 | C04 | C03 | 0.5° | 0.2° |
| C05 | C06 | C01 | H4 | 180.0° | 179.6° |
| C05 | C06 | C01 | C02 | 1.1° | 0.5° |
| C05 | C06 | C01 | H1 | 178.9° | 179.7° |
| C04 | C03 | C02 | H3 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.5° | 0.0° |
| C04 | C03 | C02 | H2 | 179.5° | 179.9° |
| C06 | C01 | C02 | C03 | 0.9° | 0.3° |
| C06 | C01 | C02 | H1 | 180.0° | 179.7° |
| C06 | C01 | C02 | H2 | 179.1° | 179.8° |
| C03 | C02 | C01 | H2 | 180.0° | 179.9° |
| C03 | C02 | C01 | H1 | 179.1° | 180.0° |
| C01 | C02 | C03 | H3 | 179.5° | 180.0° |
| C02 | C01 | C06 | H4 | 178.9° | 179.9° |
| H1 | C01 | C02 | H2 | 0.9° | 0.0° |
| H1 | C01 | C06 | H4 | 1.1° | 0.2° |
| H2 | C02 | C03 | H3 | 0.5° | 0.0° |
