QWN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR9 | C08 | sing | 1.89Å | 1.89Å | |
| CL7 | C06 | sing | 1.74Å | 1.76Å | |
| C08 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C06 | N05 | sing | 1.32Å | 1.30Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| N05 | C04 | doub | 1.33Å | 1.34Å | Aromatic |
| C11 | C04 | sing | 1.41Å | 1.38Å | Aromatic |
| C11 | N01 | sing | 1.37Å | 1.35Å | Aromatic |
| C04 | N03 | sing | 1.35Å | 1.35Å | Aromatic |
| N01 | N02 | sing | 1.29Å | 1.36Å | Aromatic |
| N03 | N02 | doub | 1.29Å | 1.35Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR9 | C08 | C06 | 121.3° | 120.3° |
| BR9 | C08 | C10 | 117.7° | 120.2° |
| CL7 | C06 | C08 | 120.7° | 119.3° |
| CL7 | C06 | N05 | 115.1° | 119.3° |
| C06 | C08 | C10 | 121.0° | 119.5° |
| C08 | C06 | N05 | 124.2° | 121.4° |
| C08 | C10 | C11 | 115.0° | 118.2° |
| C08 | C10 | H101 | 122.5° | 120.9° |
| C06 | N05 | C04 | 116.0° | 121.4° |
| C10 | C11 | C04 | 120.1° | 119.4° |
| C10 | C11 | N01 | 132.7° | 135.2° |
| C11 | C10 | H101 | 122.5° | 120.9° |
| N05 | C04 | C11 | 123.8° | 120.1° |
| N05 | C04 | N03 | 126.8° | 134.5° |
| C04 | C11 | N01 | 107.2° | 105.4° |
| C11 | C04 | N03 | 109.3° | 105.4° |
| C11 | N01 | N02 | 107.3° | 108.1° |
| C11 | N01 | H011 | 126.4° | 126.0° |
| C04 | N03 | N02 | 105.9° | 109.3° |
| N01 | N02 | N03 | 110.3° | 111.8° |
| N02 | N01 | H011 | 126.4° | 125.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR9 | C08 | C06 | CL7 | 3.4° | 0.1° |
| BR9 | C08 | C06 | C10 | 180.0° | 179.5° |
| BR9 | C08 | C06 | N05 | 177.5° | 180.0° |
| BR9 | C08 | C10 | C11 | 177.6° | 179.9° |
| BR9 | C08 | C10 | H101 | 2.4° | 0.4° |
| CL7 | C06 | C08 | N05 | 179.1° | 179.9° |
| CL7 | C06 | C08 | C10 | 176.6° | 179.6° |
| CL7 | C06 | N05 | C04 | 177.7° | 180.0° |
| C06 | C08 | C10 | C11 | 2.4° | 0.6° |
| C08 | C06 | N05 | C04 | 1.4° | 0.0° |
| C06 | C08 | C10 | H101 | 177.6° | 180.0° |
| C10 | C08 | C06 | N05 | 2.5° | 0.5° |
| C08 | C10 | C11 | H101 | 180.0° | 179.5° |
| C08 | C10 | C11 | C04 | 1.6° | 0.2° |
| C08 | C10 | C11 | N01 | 177.9° | 179.8° |
| C06 | N05 | C04 | C11 | 0.5° | 0.3° |
| C06 | N05 | C04 | N03 | 179.6° | 180.0° |
| C10 | C11 | C04 | N05 | 0.7° | 0.2° |
| C10 | C11 | C04 | N01 | 177.2° | 180.0° |
| C10 | C11 | C04 | N03 | 179.4° | 180.0° |
| C10 | C11 | N01 | N02 | 178.6° | 179.9° |
| C10 | C11 | N01 | H011 | 1.3° | 0.0° |
| N05 | C04 | C11 | N03 | 179.9° | 179.8° |
| N05 | C04 | C11 | N01 | 177.9° | 179.8° |
| N05 | C04 | N03 | N02 | 178.6° | 179.7° |
| C04 | C11 | N01 | N02 | 2.0° | 0.0° |
| C11 | C04 | N03 | N02 | 1.5° | 0.0° |
| C04 | C11 | C10 | H101 | 178.4° | 179.7° |
| C04 | C11 | N01 | H011 | 178.0° | 179.9° |
| N01 | C11 | C04 | N03 | 2.2° | 0.0° |
| C11 | N01 | N02 | H011 | 180.0° | 179.9° |
| C11 | N01 | N02 | N03 | 1.1° | 0.1° |
| N01 | C11 | C10 | H101 | 2.1° | 0.3° |
| C04 | N03 | N02 | N01 | 0.3° | 0.0° |
| N03 | N02 | N01 | H011 | 178.9° | 179.9° |
