54O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | S1 | doub | 1.42Å | 1.49Å | |
| O2 | S1 | doub | 1.42Å | 1.49Å | |
| S1 | O1 | sing | 1.52Å | 1.48Å | |
| S1 | C3 | sing | 1.81Å | 1.67Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | O4 | sing | 1.43Å | 1.43Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| O4 | H7 | sing | 0.97Å | 0.95Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | S1 | O2 | 108.9° | 121.0° |
| O3 | S1 | O1 | 107.7° | 104.3° |
| O3 | S1 | C3 | 107.2° | 110.6° |
| O2 | S1 | O1 | 110.1° | 104.3° |
| O2 | S1 | C3 | 110.1° | 110.5° |
| O1 | S1 | C3 | 112.7° | 104.4° |
| S1 | O1 | H8 | 109.5° | 114.0° |
| S1 | C3 | C2 | 111.1° | 109.5° |
| S1 | C3 | H3 | 109.1° | 109.5° |
| S1 | C3 | H4 | 109.1° | 109.5° |
| C3 | C2 | C1 | 114.6° | 109.5° |
| C3 | C2 | H1 | 108.2° | 109.5° |
| C3 | C2 | H2 | 108.2° | 109.5° |
| C2 | C3 | H3 | 109.1° | 109.5° |
| C2 | C3 | H4 | 109.1° | 109.4° |
| C2 | C1 | O4 | 104.5° | 109.5° |
| C1 | C2 | H1 | 108.2° | 109.4° |
| C1 | C2 | H2 | 108.2° | 109.4° |
| C2 | C1 | H5 | 110.7° | 109.5° |
| C2 | C1 | H6 | 110.7° | 109.5° |
| O4 | C1 | H5 | 110.7° | 109.5° |
| O4 | C1 | H6 | 110.7° | 109.4° |
| C1 | O4 | H7 | 109.5° | 114.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | S1 | O2 | O1 | 117.8° | 116.8° |
| O3 | S1 | O2 | C3 | 117.3° | 131.5° |
| O3 | S1 | O1 | C3 | 118.0° | 116.1° |
| O3 | S1 | C3 | C2 | 68.1° | 68.4° |
| O3 | S1 | C3 | H3 | 52.2° | 171.6° |
| O3 | S1 | C3 | H4 | 171.6° | 51.6° |
| O3 | S1 | O1 | H8 | 0.0° | 63.9° |
| O2 | S1 | O1 | C3 | 123.4° | 116.1° |
| O2 | S1 | C3 | C2 | 50.3° | 68.4° |
| O2 | S1 | C3 | H3 | 170.5° | 51.6° |
| O2 | S1 | C3 | H4 | 70.0° | 171.6° |
| O2 | S1 | O1 | H8 | 118.6° | 64.0° |
| O1 | S1 | C3 | C2 | 173.6° | 180.0° |
| O1 | S1 | C3 | H3 | 66.1° | 60.0° |
| O1 | S1 | C3 | H4 | 53.4° | 60.0° |
| S1 | C3 | C2 | H3 | 120.2° | 120.0° |
| S1 | C3 | C2 | H4 | 120.2° | 120.0° |
| S1 | C3 | C2 | C1 | 164.8° | 180.0° |
| S1 | C3 | C2 | H1 | 74.4° | 60.0° |
| S1 | C3 | C2 | H2 | 44.1° | 60.0° |
| S1 | C3 | H3 | H4 | 119.3° | 120.0° |
| C3 | S1 | O1 | H8 | 118.0° | 180.0° |
| C3 | C2 | C1 | H1 | 120.8° | 120.0° |
| C3 | C2 | C1 | H2 | 120.7° | 120.0° |
| C3 | C2 | C1 | O4 | 122.6° | 180.0° |
| C3 | C2 | H1 | H2 | 117.7° | 120.1° |
| C2 | C3 | H3 | H4 | 119.3° | 120.0° |
| C3 | C2 | C1 | H5 | 118.1° | 60.0° |
| C3 | C2 | C1 | H6 | 3.4° | 60.0° |
| C2 | C1 | O4 | H5 | 119.2° | 120.0° |
| C2 | C1 | O4 | H6 | 119.2° | 120.0° |
| C1 | C2 | H1 | H2 | 117.7° | 119.9° |
| C1 | C2 | C3 | H3 | 44.6° | 60.0° |
| C1 | C2 | C3 | H4 | 74.9° | 60.0° |
| C2 | C1 | H5 | H6 | 122.3° | 120.0° |
| C2 | C1 | O4 | H7 | 180.0° | 180.0° |
| O4 | C1 | C2 | H1 | 1.9° | 60.0° |
| O4 | C1 | C2 | H2 | 116.6° | 60.0° |
| O4 | C1 | H5 | H6 | 122.3° | 119.9° |
| H1 | C2 | C3 | H3 | 165.4° | 60.0° |
| H1 | C2 | C3 | H4 | 45.9° | 180.0° |
| H1 | C2 | C1 | H5 | 121.1° | 180.0° |
| H1 | C2 | C1 | H6 | 117.3° | 60.0° |
| H2 | C2 | C3 | H3 | 76.1° | 180.0° |
| H2 | C2 | C3 | H4 | 164.4° | 60.0° |
| H2 | C2 | C1 | H5 | 2.6° | 60.0° |
| H2 | C2 | C1 | H6 | 124.2° | 180.0° |
| H5 | C1 | O4 | H7 | 60.8° | 59.9° |
| H6 | C1 | O4 | H7 | 60.8° | 60.0° |
