QHX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | N09 | sing | 1.42Å | 1.40Å | |
| N09 | C08 | sing | 1.35Å | 1.45Å | |
| O11 | C08 | doub | 1.22Å | 1.19Å | |
| C08 | C07 | sing | 1.48Å | 1.52Å | |
| C07 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C07 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| C06 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | F05 | sing | 1.35Å | 1.36Å | |
| C04 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C02 | F01 | sing | 1.35Å | 1.36Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| N09 | H4 | sing | 0.97Å | 1.00Å | |
| O10 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | N09 | C08 | 119.3° | 120.0° |
| O10 | N09 | H4 | 120.3° | 120.0° |
| N09 | O10 | H5 | 109.5° | 114.0° |
| N09 | C08 | O11 | 120.7° | 120.0° |
| N09 | C08 | C07 | 116.7° | 120.0° |
| C08 | N09 | H4 | 120.3° | 120.0° |
| O11 | C08 | C07 | 122.5° | 120.0° |
| C08 | C07 | C06 | 117.3° | 120.1° |
| C08 | C07 | C12 | 122.3° | 120.1° |
| C06 | C07 | C12 | 120.5° | 119.8° |
| C07 | C06 | C04 | 119.9° | 119.9° |
| C07 | C06 | H2 | 120.1° | 120.0° |
| C07 | C12 | C02 | 119.1° | 119.8° |
| C07 | C12 | H3 | 120.4° | 120.1° |
| C06 | C04 | F05 | 119.5° | 119.9° |
| C06 | C04 | C03 | 120.2° | 120.1° |
| C04 | C06 | H2 | 120.0° | 120.1° |
| C12 | C02 | C03 | 120.5° | 120.1° |
| C12 | C02 | F01 | 120.8° | 119.9° |
| C02 | C12 | H3 | 120.5° | 120.1° |
| F05 | C04 | C03 | 120.3° | 119.9° |
| C04 | C03 | C02 | 119.7° | 120.2° |
| C04 | C03 | H1 | 120.1° | 119.9° |
| C03 | C02 | F01 | 118.7° | 119.9° |
| C02 | C03 | H1 | 120.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | N09 | C08 | H4 | 180.0° | 180.0° |
| O10 | N09 | C08 | O11 | 0.5° | 0.0° |
| O10 | N09 | C08 | C07 | 179.6° | 180.0° |
| N09 | C08 | O11 | C07 | 179.0° | 179.9° |
| N09 | C08 | C07 | C06 | 15.2° | 180.0° |
| N09 | C08 | C07 | C12 | 165.0° | 0.4° |
| C08 | N09 | O10 | H5 | 0.2° | 180.0° |
| O11 | C08 | C07 | C06 | 163.9° | 0.1° |
| O11 | C08 | C07 | C12 | 15.9° | 179.7° |
| O11 | C08 | N09 | H4 | 179.5° | 180.0° |
| C08 | C07 | C06 | C12 | 179.8° | 179.6° |
| C08 | C07 | C06 | C04 | 179.9° | 180.0° |
| C08 | C07 | C12 | C02 | 179.6° | 179.8° |
| C08 | C07 | C06 | H2 | 0.1° | 0.2° |
| C08 | C07 | C12 | H3 | 0.4° | 0.3° |
| C07 | C08 | N09 | H4 | 0.4° | 0.1° |
| C07 | C06 | C04 | H2 | 180.0° | 179.9° |
| C06 | C07 | C12 | C02 | 0.2° | 0.6° |
| C07 | C06 | C04 | F05 | 180.0° | 180.0° |
| C07 | C06 | C04 | C03 | 0.4° | 0.0° |
| C06 | C07 | C12 | H3 | 179.8° | 180.0° |
| C12 | C07 | C06 | C04 | 0.1° | 0.3° |
| C07 | C12 | C02 | H3 | 180.0° | 179.4° |
| C07 | C12 | C02 | C03 | 0.3° | 0.6° |
| C07 | C12 | C02 | F01 | 179.7° | 179.7° |
| C12 | C07 | C06 | H2 | 179.9° | 179.8° |
| C06 | C04 | F05 | C03 | 179.7° | 180.0° |
| C06 | C04 | C03 | C02 | 0.3° | 0.0° |
| C06 | C04 | C03 | H1 | 179.7° | 180.0° |
| C12 | C02 | C03 | C04 | 0.1° | 0.3° |
| C12 | C02 | C03 | F01 | 180.0° | 179.7° |
| C12 | C02 | C03 | H1 | 179.9° | 179.7° |
| F05 | C04 | C03 | C02 | 179.9° | 180.0° |
| F05 | C04 | C03 | H1 | 0.1° | 0.0° |
| F05 | C04 | C06 | H2 | 0.0° | 0.1° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C04 | C03 | C02 | F01 | 179.9° | 180.0° |
| C03 | C04 | C06 | H2 | 179.6° | 179.9° |
| C03 | C02 | C12 | H3 | 179.7° | 180.0° |
| F01 | C02 | C03 | H1 | 0.1° | 0.0° |
| F01 | C02 | C12 | H3 | 0.3° | 0.3° |
| H4 | N09 | O10 | H5 | 179.8° | 0.0° |
