QX2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C10 | sing | 1.89Å | 1.92Å | |
| BR2 | C08 | sing | 1.89Å | 1.92Å | |
| C10 | C08 | doub | 1.39Å | 1.37Å | Aromatic |
| C10 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C08 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | N01 | sing | 1.38Å | 1.34Å | Aromatic |
| C12 | C04 | doub | 1.41Å | 1.37Å | Aromatic |
| N01 | C02 | sing | 1.36Å | 1.33Å | Aromatic |
| C06 | BR3 | sing | 1.89Å | 1.90Å | |
| C06 | N05 | doub | 1.32Å | 1.31Å | Aromatic |
| C04 | N05 | sing | 1.33Å | 1.34Å | Aromatic |
| C04 | N03 | sing | 1.36Å | 1.36Å | Aromatic |
| C02 | N03 | doub | 1.30Å | 1.32Å | Aromatic |
| C02 | H021 | 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) |
| BR1 | C10 | C08 | 120.0° | 120.9° |
| BR1 | C10 | C12 | 122.7° | 120.9° |
| BR2 | C08 | C10 | 121.3° | 120.3° |
| BR2 | C08 | C06 | 119.2° | 120.3° |
| C08 | C10 | C12 | 117.3° | 118.2° |
| C10 | C08 | C06 | 119.5° | 119.4° |
| C10 | C12 | N01 | 133.1° | 134.3° |
| C10 | C12 | C04 | 118.9° | 119.5° |
| C08 | C06 | BR3 | 117.1° | 119.3° |
| C08 | C06 | N05 | 123.8° | 121.4° |
| N01 | C12 | C04 | 108.1° | 106.2° |
| C12 | N01 | C02 | 107.1° | 107.2° |
| C12 | N01 | H011 | 126.5° | 126.4° |
| C12 | C04 | N05 | 123.1° | 120.0° |
| C12 | C04 | N03 | 107.0° | 106.7° |
| N01 | C02 | N03 | 110.6° | 110.1° |
| N01 | C02 | H021 | 124.7° | 125.0° |
| C02 | N01 | H011 | 126.5° | 126.4° |
| BR3 | C06 | N05 | 119.1° | 119.3° |
| C06 | N05 | C04 | 117.4° | 121.6° |
| N05 | C04 | N03 | 129.9° | 133.3° |
| C04 | N03 | C02 | 107.3° | 109.8° |
| N03 | C02 | H021 | 124.7° | 124.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C10 | C08 | BR2 | 0.6° | 0.3° |
| BR1 | C10 | C08 | C12 | 179.5° | 179.7° |
| BR1 | C10 | C08 | C06 | 179.6° | 179.7° |
| BR1 | C10 | C12 | N01 | 1.0° | 0.3° |
| BR1 | C10 | C12 | C04 | 179.9° | 179.7° |
| BR2 | C08 | C10 | C06 | 179.0° | 180.0° |
| BR2 | C08 | C10 | C12 | 178.9° | 180.0° |
| BR2 | C08 | C06 | BR3 | 0.5° | 0.0° |
| BR2 | C08 | C06 | N05 | 179.6° | 180.0° |
| C08 | C10 | C12 | N01 | 179.5° | 180.0° |
| C08 | C10 | C12 | C04 | 0.6° | 0.0° |
| C10 | C08 | C06 | BR3 | 178.5° | 180.0° |
| C10 | C08 | C06 | N05 | 0.5° | 0.0° |
| C12 | C10 | C08 | C06 | 0.1° | 0.0° |
| C10 | C12 | N01 | C04 | 179.0° | 179.9° |
| C10 | C12 | N01 | C02 | 179.0° | 180.0° |
| C10 | C12 | C04 | N05 | 0.5° | 0.1° |
| C10 | C12 | C04 | N03 | 178.8° | 180.0° |
| C10 | C12 | N01 | H011 | 1.0° | 0.1° |
| C08 | C06 | BR3 | N05 | 179.1° | 180.0° |
| C08 | C06 | N05 | C04 | 0.6° | 0.1° |
| C12 | N01 | C02 | H011 | 180.0° | 180.0° |
| N01 | C12 | C04 | N05 | 179.7° | 180.0° |
| N01 | C12 | C04 | N03 | 0.4° | 0.1° |
| C12 | N01 | C02 | N03 | 0.4° | 0.0° |
| C12 | N01 | C02 | H021 | 179.6° | 179.9° |
| C04 | C12 | N01 | C02 | 0.0° | 0.0° |
| C12 | C04 | N05 | C06 | 0.1° | 0.1° |
| C12 | C04 | N05 | N03 | 179.1° | 179.9° |
| C12 | C04 | N03 | C02 | 0.6° | 0.1° |
| C04 | C12 | N01 | H011 | 180.0° | 180.0° |
| N01 | C02 | N03 | C04 | 0.6° | 0.1° |
| N01 | C02 | N03 | H021 | 180.0° | 179.9° |
| BR3 | C06 | N05 | C04 | 178.4° | 180.0° |
| C06 | N05 | C04 | N03 | 179.2° | 180.0° |
| N05 | C04 | N03 | C02 | 179.9° | 180.0° |
| C04 | N03 | C02 | H021 | 179.4° | 180.0° |
| N03 | C02 | N01 | H011 | 179.6° | 180.0° |
| H021 | C02 | N01 | H011 | 0.4° | 0.1° |
