GZ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C8 | doub | 1.21Å | 1.23Å | |
| C8 | O3 | sing | 1.34Å | 1.25Å | |
| C8 | C3 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | doub | 1.33Å | 1.38Å | |
| C4 | C3 | sing | 1.50Å | 1.39Å | |
| C5 | C6 | sing | 1.47Å | 1.38Å | |
| C3 | C2 | sing | 1.50Å | 1.41Å | |
| C6 | C1 | sing | 1.48Å | 1.37Å | |
| C6 | S | doub | 1.71Å | 1.69Å | |
| C2 | C1 | doub | 1.34Å | 1.37Å | |
| C2 | C7 | sing | 1.47Å | 1.49Å | |
| O1 | C7 | doub | 1.21Å | 1.26Å | |
| C7 | O2 | sing | 1.35Å | 1.21Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C8 | O3 | 115.0° | 120.0° |
| O4 | C8 | C3 | 126.3° | 120.0° |
| O3 | C8 | C3 | 117.2° | 120.0° |
| C8 | O3 | H1 | 109.5° | 117.0° |
| C8 | C3 | C4 | 120.6° | 108.8° |
| C8 | C3 | C2 | 121.2° | 108.8° |
| C8 | C3 | H2 | 92.1° | 108.7° |
| C5 | C4 | C3 | 121.5° | 123.2° |
| C4 | C5 | C6 | 119.3° | 119.6° |
| C5 | C4 | H4 | 119.2° | 118.4° |
| C4 | C5 | H5 | 120.4° | 120.2° |
| C4 | C3 | C2 | 117.7° | 113.0° |
| C4 | C3 | H2 | 92.3° | 108.7° |
| C3 | C4 | H4 | 119.3° | 118.4° |
| C5 | C6 | C1 | 120.1° | 117.8° |
| C5 | C6 | S | 124.1° | 121.2° |
| C6 | C5 | H5 | 120.3° | 120.1° |
| C3 | C2 | C1 | 120.4° | 122.8° |
| C3 | C2 | C7 | 124.5° | 118.6° |
| C2 | C3 | H2 | 92.3° | 108.8° |
| C1 | C6 | S | 115.7° | 121.1° |
| C6 | C1 | C2 | 120.9° | 119.2° |
| C6 | C1 | H6 | 119.5° | 120.4° |
| C1 | C2 | C7 | 115.0° | 118.6° |
| C2 | C1 | H6 | 119.5° | 120.4° |
| C2 | C7 | O1 | 119.9° | 120.0° |
| C2 | C7 | O2 | 120.4° | 120.0° |
| O1 | C7 | O2 | 119.6° | 120.0° |
| C7 | O2 | H3 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C8 | O3 | C3 | 166.7° | 180.0° |
| O4 | C8 | C3 | C4 | 20.7° | 123.5° |
| O4 | C8 | C3 | C2 | 167.2° | 0.0° |
| O4 | C8 | O3 | H1 | 0.0° | 0.0° |
| O4 | C8 | C3 | H2 | 73.2° | 118.3° |
| O3 | C8 | C3 | C4 | 144.3° | 56.5° |
| O3 | C8 | C3 | C2 | 27.8° | 180.0° |
| O3 | C8 | C3 | H2 | 121.7° | 61.7° |
| C8 | C3 | C4 | C5 | 173.5° | 104.1° |
| C8 | C3 | C4 | C2 | 172.4° | 120.9° |
| C8 | C3 | C4 | H2 | 93.9° | 118.2° |
| C8 | C3 | C2 | H2 | 93.9° | 118.3° |
| C8 | C3 | C2 | C1 | 173.3° | 104.0° |
| C8 | C3 | C2 | C7 | 9.0° | 76.0° |
| C3 | C8 | O3 | H1 | 166.7° | 180.0° |
| C8 | C3 | C4 | H4 | 6.5° | 75.9° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 1.2° | 16.8° |
| C4 | C5 | C6 | C1 | 1.3° | 16.6° |
| C4 | C5 | C6 | S | 175.6° | 163.4° |
| C5 | C4 | C3 | H2 | 92.6° | 137.6° |
| C3 | C4 | C5 | C6 | 1.3° | 0.6° |
| C4 | C3 | C2 | H2 | 93.8° | 120.8° |
| C4 | C3 | C2 | C1 | 1.0° | 16.9° |
| C4 | C3 | C2 | C7 | 178.7° | 163.1° |
| C3 | C4 | C5 | H5 | 178.7° | 179.4° |
| C5 | C6 | C1 | S | 177.2° | 180.0° |
| C5 | C6 | C1 | C2 | 1.1° | 16.3° |
| C6 | C5 | C4 | H4 | 178.7° | 179.4° |
| C5 | C6 | C1 | H6 | 178.8° | 163.7° |
| C3 | C2 | C1 | C6 | 1.0° | 1.0° |
| C3 | C2 | C1 | C7 | 177.9° | 180.0° |
| C3 | C2 | C7 | O1 | 52.4° | 180.0° |
| C3 | C2 | C7 | O2 | 131.1° | 0.1° |
| C2 | C3 | C4 | H4 | 178.8° | 163.2° |
| C3 | C2 | C1 | H6 | 179.0° | 179.0° |
| C6 | C1 | C2 | H6 | 180.0° | 180.0° |
| C6 | C1 | C2 | C7 | 178.9° | 179.0° |
| C1 | C6 | C5 | H5 | 178.7° | 163.4° |
| S | C6 | C1 | C2 | 176.0° | 163.7° |
| S | C6 | C5 | H5 | 4.4° | 16.6° |
| S | C6 | C1 | H6 | 4.0° | 16.3° |
| C1 | C2 | C7 | O1 | 125.3° | 0.0° |
| C1 | C2 | C7 | O2 | 51.1° | 180.0° |
| C1 | C2 | C3 | H2 | 92.8° | 137.7° |
| C2 | C7 | O1 | O2 | 176.5° | 179.9° |
| C7 | C2 | C3 | H2 | 84.9° | 42.3° |
| C2 | C7 | O2 | H3 | 176.5° | 180.0° |
| C7 | C2 | C1 | H6 | 1.1° | 1.0° |
| O1 | C7 | O2 | H3 | 0.0° | 0.1° |
| H2 | C3 | C4 | H4 | 87.4° | 42.4° |
| H4 | C4 | C5 | H5 | 1.3° | 0.6° |
