ESA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | S | sing | 1.81Å | 1.83Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| S | O1 | doub | 1.42Å | 1.48Å | |
| S | O2 | sing | 1.52Å | 1.48Å | |
| S | O3 | doub | 1.42Å | 1.48Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 109.4° | 109.6° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C1 | C2 | S | 110.1° | 109.5° |
| C1 | C2 | H21 | 109.1° | 109.4° |
| C1 | C2 | H22 | 109.3° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.4° | 109.4° |
| S | C2 | H21 | 109.1° | 109.5° |
| S | C2 | H22 | 109.2° | 109.5° |
| C2 | S | O1 | 109.5° | 111.6° |
| C2 | S | O2 | 109.4° | 103.2° |
| C2 | S | O3 | 109.3° | 111.6° |
| H21 | C2 | H22 | 109.9° | 109.5° |
| O1 | S | O2 | 109.6° | 102.8° |
| O1 | S | O3 | 109.4° | 122.1° |
| O2 | S | O3 | 109.6° | 102.8° |
| S | O2 | HO2 | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 119.9° |
| C1 | C2 | S | H21 | 119.8° | 120.0° |
| C1 | C2 | S | H22 | 120.0° | 120.0° |
| C1 | C2 | H21 | H22 | 119.9° | 119.9° |
| C1 | C2 | S | O1 | 32.2° | 70.2° |
| C1 | C2 | S | O2 | 152.4° | 180.0° |
| C1 | C2 | S | O3 | 87.6° | 70.2° |
| H11 | C1 | H12 | H13 | 120.0° | 119.9° |
| H11 | C1 | C2 | S | 23.5° | 180.0° |
| H11 | C1 | C2 | H21 | 96.3° | 60.0° |
| H11 | C1 | C2 | H22 | 143.5° | 60.0° |
| H12 | C1 | C2 | S | 96.5° | 60.0° |
| H12 | C1 | C2 | H21 | 143.8° | 60.1° |
| H12 | C1 | C2 | H22 | 23.5° | 180.0° |
| H13 | C1 | C2 | S | 143.5° | 60.0° |
| H13 | C1 | C2 | H21 | 23.8° | 180.0° |
| H13 | C1 | C2 | H22 | 96.5° | 60.1° |
| S | C2 | H21 | H22 | 119.8° | 120.0° |
| C2 | S | O1 | O2 | 120.1° | 110.0° |
| C2 | S | O1 | O3 | 119.7° | 135.7° |
| C2 | S | O2 | O3 | 119.8° | 116.2° |
| C2 | S | O2 | HO2 | 87.5° | 180.0° |
| H21 | C2 | S | O1 | 87.5° | 169.8° |
| H21 | C2 | S | O2 | 32.7° | 60.0° |
| H21 | C2 | S | O3 | 152.7° | 49.8° |
| H22 | C2 | S | O1 | 152.2° | 49.8° |
| H22 | C2 | S | O2 | 87.6° | 60.0° |
| H22 | C2 | S | O3 | 32.4° | 169.8° |
| O1 | S | O2 | O3 | 120.0° | 127.6° |
| O1 | S | O2 | HO2 | 32.6° | 63.8° |
| O3 | S | O2 | HO2 | 152.7° | 63.8° |
