QX4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C08 | sing | 1.35Å | 1.38Å | |
| C08 | C10 | doub | 1.37Å | 1.34Å | |
| C08 | C06 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.40Å | 1.47Å | |
| C07 | C06 | doub | 1.40Å | 1.40Å | Aromatic |
| C07 | C02 | sing | 1.38Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | O12 | doub | 1.22Å | 1.23Å | |
| C11 | O13 | sing | 1.34Å | 1.36Å | |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| C02 | C03 | doub | 1.39Å | 1.42Å | Aromatic |
| C05 | O13 | sing | 1.35Å | 1.39Å | |
| C05 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| O09 | H091 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C08 | C10 | 124.1° | 121.0° |
| O09 | C08 | C06 | 115.6° | 121.0° |
| C08 | O09 | H091 | 109.5° | 114.0° |
| C10 | C08 | C06 | 119.8° | 118.0° |
| C08 | C10 | C11 | 122.0° | 119.8° |
| C08 | C10 | H101 | 119.0° | 120.1° |
| C08 | C06 | C07 | 124.3° | 121.1° |
| C08 | C06 | C05 | 117.6° | 118.9° |
| C10 | C11 | O12 | 124.6° | 119.1° |
| C10 | C11 | O13 | 116.4° | 121.8° |
| C11 | C10 | H101 | 119.0° | 120.1° |
| C06 | C07 | C02 | 120.5° | 119.6° |
| C07 | C06 | C05 | 118.1° | 120.0° |
| C06 | C07 | H071 | 119.8° | 120.2° |
| C07 | C02 | C01 | 120.7° | 119.8° |
| C07 | C02 | C03 | 119.0° | 120.4° |
| C02 | C07 | H071 | 119.8° | 120.2° |
| C06 | C05 | O13 | 121.5° | 119.8° |
| C06 | C05 | C04 | 123.6° | 119.4° |
| O12 | C11 | O13 | 119.0° | 119.1° |
| C11 | O13 | C05 | 122.5° | 121.7° |
| C01 | C02 | C03 | 120.3° | 119.8° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C03 | C04 | 120.8° | 120.7° |
| C02 | C03 | H031 | 119.6° | 119.7° |
| O13 | C05 | C04 | 114.8° | 120.7° |
| C05 | C04 | C03 | 118.0° | 119.9° |
| C05 | C04 | H041 | 121.0° | 120.0° |
| C04 | C03 | H031 | 119.6° | 119.6° |
| C03 | C04 | H041 | 121.0° | 120.1° |
| H013 | C01 | H011 | 109.4° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C08 | C10 | C06 | 171.7° | 179.9° |
| O09 | C08 | C10 | C11 | 173.1° | 180.0° |
| O09 | C08 | C06 | C07 | 5.1° | 0.3° |
| O09 | C08 | C06 | C05 | 174.9° | 179.5° |
| O09 | C08 | C10 | H101 | 6.9° | 0.2° |
| C08 | C10 | C11 | H101 | 180.0° | 179.8° |
| C10 | C08 | C06 | C07 | 177.5° | 179.7° |
| C10 | C08 | C06 | C05 | 2.5° | 0.6° |
| C08 | C10 | C11 | O12 | 177.1° | 179.8° |
| C08 | C10 | C11 | O13 | 1.9° | 0.2° |
| C10 | C08 | O09 | H091 | 180.0° | 0.1° |
| C06 | C08 | C10 | C11 | 1.4° | 0.1° |
| C08 | C06 | C07 | C05 | 180.0° | 179.2° |
| C08 | C06 | C07 | C02 | 179.9° | 179.2° |
| C08 | C06 | C05 | O13 | 0.3° | 0.8° |
| C08 | C06 | C05 | C04 | 179.4° | 179.7° |
| C06 | C08 | C10 | H101 | 178.6° | 179.7° |
| C08 | C06 | C07 | H071 | 0.1° | 0.8° |
| C06 | C08 | O09 | H091 | 8.0° | 180.0° |
| C10 | C11 | O12 | O13 | 179.0° | 180.0° |
| C10 | C11 | O13 | C05 | 4.3° | 0.1° |
| C06 | C07 | C02 | H071 | 180.0° | 180.0° |
| C06 | C07 | C02 | C01 | 179.9° | 180.0° |
| C06 | C07 | C02 | C03 | 0.0° | 0.0° |
| C07 | C06 | C05 | O13 | 179.7° | 180.0° |
| C07 | C06 | C05 | C04 | 0.6° | 0.6° |
| C02 | C07 | C06 | C05 | 0.1° | 0.0° |
| C07 | C02 | C01 | C03 | 179.9° | 180.0° |
| C07 | C02 | C03 | C04 | 0.7° | 0.6° |
| C07 | C02 | C01 | H013 | 90.0° | 90.0° |
| C07 | C02 | C01 | H011 | 150.1° | 29.9° |
| C07 | C02 | C01 | H012 | 30.0° | 149.9° |
| C07 | C02 | C03 | H031 | 179.3° | 180.0° |
| C06 | C05 | O13 | C11 | 3.3° | 0.6° |
| C06 | C05 | O13 | C04 | 179.2° | 179.4° |
| C06 | C05 | C04 | C03 | 1.2° | 1.1° |
| C06 | C05 | C04 | H041 | 178.8° | 180.0° |
| C05 | C06 | C07 | H071 | 179.9° | 180.0° |
| O12 | C11 | O13 | C05 | 174.8° | 179.9° |
| O12 | C11 | C10 | H101 | 2.9° | 0.0° |
| C11 | O13 | C05 | C04 | 175.9° | 180.0° |
| O13 | C11 | C10 | H101 | 178.1° | 180.0° |
| C01 | C02 | C03 | C04 | 179.2° | 179.4° |
| C02 | C01 | H013 | H011 | 120.0° | 119.9° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 0.8° | 0.0° |
| C01 | C02 | C07 | H071 | 0.1° | 0.0° |
| C02 | C03 | C04 | C05 | 1.2° | 1.2° |
| C02 | C03 | C04 | H031 | 180.0° | 179.4° |
| C03 | C02 | C01 | H013 | 89.9° | 90.0° |
| C03 | C02 | C01 | H011 | 30.1° | 150.1° |
| C03 | C02 | C01 | H012 | 150.1° | 30.1° |
| C02 | C03 | C04 | H041 | 178.8° | 180.0° |
| C03 | C02 | C07 | H071 | 180.0° | 180.0° |
| O13 | C05 | C04 | C03 | 179.6° | 179.4° |
| O13 | C05 | C04 | H041 | 0.4° | 0.6° |
| C05 | C04 | C03 | H041 | 180.0° | 178.9° |
| C05 | C04 | C03 | H031 | 178.8° | 179.4° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H031 | C03 | C04 | H041 | 1.2° | 0.6° |
