X7Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O07 | C06 | doub | 1.21Å | 1.23Å | |
| C06 | C05 | sing | 1.51Å | 1.59Å | |
| C06 | O08 | sing | 1.34Å | 1.22Å | |
| C05 | S04 | sing | 1.81Å | 1.85Å | |
| C01 | C02 | doub | 1.31Å | 1.32Å | |
| S04 | C03 | sing | 1.81Å | 1.87Å | |
| C02 | C03 | sing | 1.51Å | 1.46Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.08Å | 1.08Å | |
| C02 | H3 | sing | 1.08Å | 1.08Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| O08 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O07 | C06 | C05 | 115.5° | 120.0° |
| O07 | C06 | O08 | 128.6° | 120.0° |
| C05 | C06 | O08 | 115.9° | 120.0° |
| C06 | C05 | S04 | 106.7° | 109.5° |
| C06 | C05 | H6 | 110.2° | 109.5° |
| C06 | C05 | H7 | 110.2° | 109.5° |
| C06 | O08 | H8 | 109.5° | 117.0° |
| C05 | S04 | C03 | 110.4° | 103.0° |
| S04 | C05 | H6 | 110.2° | 109.5° |
| S04 | C05 | H7 | 110.2° | 109.4° |
| C01 | C02 | C03 | 128.7° | 120.0° |
| C02 | C01 | H1 | 120.0° | 120.0° |
| C02 | C01 | H2 | 120.0° | 120.0° |
| C01 | C02 | H3 | 115.6° | 120.0° |
| S04 | C03 | C02 | 113.4° | 109.5° |
| S04 | C03 | H4 | 108.5° | 109.4° |
| S04 | C03 | H5 | 108.5° | 109.4° |
| C03 | C02 | H3 | 115.7° | 120.0° |
| C02 | C03 | H4 | 108.5° | 109.5° |
| C02 | C03 | H5 | 108.5° | 109.5° |
| H1 | C01 | H2 | 120.0° | 120.0° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H6 | C05 | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O07 | C06 | C05 | O08 | 178.6° | 180.0° |
| O07 | C06 | C05 | S04 | 135.9° | 0.0° |
| O07 | C06 | C05 | H6 | 16.4° | 120.0° |
| O07 | C06 | C05 | H7 | 104.5° | 120.0° |
| O07 | C06 | O08 | H8 | 0.0° | 0.0° |
| C06 | C05 | S04 | H6 | 119.6° | 120.0° |
| C06 | C05 | S04 | H7 | 119.6° | 120.0° |
| C06 | C05 | S04 | C03 | 46.5° | 180.0° |
| C06 | C05 | H6 | H7 | 121.3° | 120.0° |
| C05 | C06 | O08 | H8 | 178.4° | 180.0° |
| O08 | C06 | C05 | S04 | 42.6° | 180.0° |
| O08 | C06 | C05 | H6 | 162.2° | 60.0° |
| O08 | C06 | C05 | H7 | 77.0° | 60.0° |
| C05 | S04 | C03 | C02 | 28.2° | 179.9° |
| C05 | S04 | C03 | H4 | 148.8° | 60.0° |
| C05 | S04 | C03 | H5 | 92.3° | 60.0° |
| S04 | C05 | H6 | H7 | 121.3° | 120.0° |
| C01 | C02 | C03 | S04 | 123.8° | 115.0° |
| C01 | C02 | C03 | H3 | 180.0° | 180.0° |
| C02 | C01 | H1 | H2 | 179.9° | 179.8° |
| C01 | C02 | C03 | H4 | 115.7° | 125.0° |
| C01 | C02 | C03 | H5 | 3.2° | 5.0° |
| S04 | C03 | C02 | H4 | 120.6° | 120.0° |
| S04 | C03 | C02 | H5 | 120.6° | 120.0° |
| S04 | C03 | C02 | H3 | 56.2° | 65.0° |
| S04 | C03 | H4 | H5 | 118.2° | 119.9° |
| C03 | S04 | C05 | H6 | 73.1° | 60.0° |
| C03 | S04 | C05 | H7 | 166.1° | 60.0° |
| C03 | C02 | C01 | H1 | 0.0° | 0.0° |
| C03 | C02 | C01 | H2 | 180.0° | 179.7° |
| C02 | C03 | H4 | H5 | 118.2° | 120.0° |
| H1 | C01 | C02 | H3 | 180.0° | 180.0° |
| H2 | C01 | C02 | H3 | 0.0° | 0.2° |
| H3 | C02 | C03 | H4 | 64.4° | 55.0° |
| H3 | C02 | C03 | H5 | 176.8° | 175.0° |
