QXW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | N02 | sing | 1.29Å | 1.37Å | Aromatic |
| N01 | C11 | sing | 1.37Å | 1.36Å | Aromatic |
| N02 | N03 | doub | 1.29Å | 1.37Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C10 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C04 | sing | 1.41Å | 1.37Å | Aromatic |
| BR1 | C08 | sing | 1.89Å | 1.94Å | |
| C08 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| N03 | C04 | sing | 1.35Å | 1.36Å | Aromatic |
| C04 | N05 | doub | 1.33Å | 1.36Å | Aromatic |
| C06 | N05 | sing | 1.31Å | 1.32Å | Aromatic |
| C06 | BR2 | sing | 1.89Å | 1.94Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N02 | N01 | C11 | 108.1° | 108.1° |
| N01 | N02 | N03 | 107.9° | 111.8° |
| N02 | N01 | H2 | 126.0° | 126.0° |
| N01 | C11 | C10 | 133.5° | 135.2° |
| N01 | C11 | C04 | 108.0° | 105.4° |
| C11 | N01 | H2 | 125.9° | 126.0° |
| N02 | N03 | C04 | 108.0° | 109.3° |
| C11 | C10 | C08 | 118.8° | 118.2° |
| C10 | C11 | C04 | 118.5° | 119.4° |
| C11 | C10 | H1 | 120.6° | 121.0° |
| C10 | C08 | BR1 | 120.0° | 120.2° |
| C10 | C08 | C06 | 119.3° | 119.5° |
| C08 | C10 | H1 | 120.6° | 120.9° |
| C11 | C04 | N03 | 108.1° | 105.4° |
| C11 | C04 | N05 | 121.5° | 120.1° |
| BR1 | C08 | C06 | 120.7° | 120.2° |
| C08 | C06 | N05 | 120.7° | 121.4° |
| C08 | C06 | BR2 | 119.9° | 119.3° |
| N03 | C04 | N05 | 130.4° | 134.4° |
| C04 | N05 | C06 | 121.2° | 121.4° |
| N05 | C06 | BR2 | 119.4° | 119.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N02 | N01 | C11 | H2 | 180.0° | 179.9° |
| N02 | N01 | C11 | C10 | 180.0° | 179.9° |
| N02 | N01 | C11 | C04 | 0.0° | 0.0° |
| N01 | N02 | N03 | C04 | 0.0° | 0.1° |
| C11 | N01 | N02 | N03 | 0.0° | 0.0° |
| N01 | C11 | C10 | C04 | 180.0° | 179.9° |
| N01 | C11 | C10 | C08 | 180.0° | 180.0° |
| N01 | C11 | C04 | N03 | 0.0° | 0.0° |
| N01 | C11 | C04 | N05 | 180.0° | 180.0° |
| N01 | C11 | C10 | H1 | 0.0° | 0.4° |
| N02 | N03 | C04 | C11 | 0.0° | 0.1° |
| N02 | N03 | C04 | N05 | 180.0° | 180.0° |
| N03 | N02 | N01 | H2 | 180.0° | 180.0° |
| C11 | C10 | C08 | H1 | 180.0° | 179.6° |
| C11 | C10 | C08 | BR1 | 180.0° | 180.0° |
| C11 | C10 | C08 | C06 | 0.0° | 0.1° |
| C10 | C11 | C04 | N03 | 180.0° | 180.0° |
| C10 | C11 | C04 | N05 | 0.0° | 0.0° |
| C10 | C11 | N01 | H2 | 0.0° | 0.0° |
| C08 | C10 | C11 | C04 | 0.0° | 0.1° |
| C10 | C08 | BR1 | C06 | 180.0° | 180.0° |
| C10 | C08 | C06 | N05 | 0.1° | 0.0° |
| C10 | C08 | C06 | BR2 | 180.0° | 180.0° |
| C11 | C04 | N03 | N05 | 180.0° | 179.9° |
| C11 | C04 | N05 | C06 | 0.0° | 0.0° |
| C04 | C11 | C10 | H1 | 180.0° | 179.7° |
| C04 | C11 | N01 | H2 | 180.0° | 179.9° |
| BR1 | C08 | C06 | N05 | 180.0° | 180.0° |
| BR1 | C08 | C06 | BR2 | 0.0° | 0.0° |
| BR1 | C08 | C10 | H1 | 0.0° | 0.4° |
| C08 | C06 | N05 | C04 | 0.1° | 0.0° |
| C08 | C06 | N05 | BR2 | 180.0° | 180.0° |
| C06 | C08 | C10 | H1 | 179.9° | 179.7° |
| N03 | C04 | N05 | C06 | 180.0° | 179.9° |
| C04 | N05 | C06 | BR2 | 180.0° | 180.0° |
