SGL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | S1 | sing | 1.81Å | 1.83Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| S1 | O4 | sing | 1.52Å | 1.47Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1 | C1 | C2 | 111.3° | 109.5° |
| S1 | C1 | H11 | 108.9° | 109.5° |
| S1 | C1 | H12 | 108.9° | 109.5° |
| C1 | S1 | O4 | 106.0° | 103.0° |
| C2 | C1 | H11 | 108.9° | 109.5° |
| C2 | C1 | H12 | 108.8° | 109.5° |
| C1 | C2 | O2 | 109.4° | 109.5° |
| C1 | C2 | C3 | 112.6° | 109.5° |
| C1 | C2 | H2 | 107.3° | 109.5° |
| H11 | C1 | H12 | 110.1° | 109.4° |
| S1 | O4 | HO4 | 109.5° | 113.9° |
| O2 | C2 | C3 | 109.2° | 109.5° |
| O2 | C2 | H2 | 110.8° | 109.4° |
| C2 | O2 | HO2 | 109.5° | 113.9° |
| C3 | C2 | H2 | 107.5° | 109.5° |
| C2 | C3 | O3 | 111.0° | 109.5° |
| C2 | C3 | H31 | 109.0° | 109.5° |
| C2 | C3 | H32 | 109.0° | 109.5° |
| O3 | C3 | H31 | 109.0° | 109.4° |
| O3 | C3 | H32 | 108.9° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| H31 | C3 | H32 | 109.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C1 | C2 | H11 | 120.0° | 120.0° |
| S1 | C1 | C2 | H12 | 120.0° | 120.0° |
| S1 | C1 | H11 | H12 | 119.3° | 120.0° |
| S1 | C1 | C2 | O2 | 156.5° | 60.0° |
| S1 | C1 | C2 | C3 | 35.0° | 180.0° |
| S1 | C1 | C2 | H2 | 83.2° | 60.0° |
| C1 | S1 | O4 | HO4 | 180.0° | 180.0° |
| C2 | C1 | H11 | H12 | 119.2° | 120.0° |
| C2 | C1 | S1 | O4 | 118.3° | 75.0° |
| C1 | C2 | O2 | C3 | 123.6° | 120.0° |
| C1 | C2 | O2 | H2 | 118.1° | 120.0° |
| C1 | C2 | C3 | H2 | 118.0° | 120.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | O3 | 161.2° | 175.0° |
| C1 | C2 | C3 | H31 | 78.8° | 55.0° |
| C1 | C2 | C3 | H32 | 41.2° | 65.0° |
| H11 | C1 | S1 | O4 | 1.7° | 165.0° |
| H11 | C1 | C2 | O2 | 36.6° | 180.0° |
| H11 | C1 | C2 | C3 | 85.0° | 60.0° |
| H11 | C1 | C2 | H2 | 156.8° | 60.0° |
| H12 | C1 | S1 | O4 | 121.7° | 45.0° |
| H12 | C1 | C2 | O2 | 83.5° | 60.0° |
| H12 | C1 | C2 | C3 | 155.0° | 60.0° |
| H12 | C1 | C2 | H2 | 36.8° | 180.0° |
| O2 | C2 | C3 | H2 | 120.3° | 120.0° |
| O2 | C2 | C3 | O3 | 39.5° | 65.0° |
| O2 | C2 | C3 | H31 | 159.5° | 175.0° |
| O2 | C2 | C3 | H32 | 80.5° | 55.0° |
| C3 | C2 | O2 | HO2 | 56.4° | 60.0° |
| C2 | C3 | O3 | H31 | 120.0° | 120.0° |
| C2 | C3 | O3 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H32 | 119.4° | 120.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| H2 | C2 | O2 | HO2 | 61.9° | 180.0° |
| H2 | C2 | C3 | O3 | 80.8° | 55.0° |
| H2 | C2 | C3 | H31 | 39.2° | 65.0° |
| H2 | C2 | C3 | H32 | 159.2° | 175.0° |
| O3 | C3 | H31 | H32 | 119.3° | 120.0° |
| H31 | C3 | O3 | HO3 | 59.9° | 60.0° |
| H32 | C3 | O3 | HO3 | 60.0° | 60.0° |
