HSW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | N2 | sing | 1.43Å | 1.49Å | |
| N2 | S1 | sing | 1.72Å | 1.63Å | |
| S1 | O2 | doub | 1.45Å | 1.49Å | |
| S1 | O1 | doub | 1.45Å | 1.50Å | |
| S1 | N1 | sing | 1.71Å | 1.62Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| N2 | HN2 | sing | 1.03Å | 1.00Å | |
| N1 | HN11 | sing | 1.03Å | 1.00Å | |
| N1 | HN12 | sing | 1.03Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | N2 | S1 | 107.4° | 105.1° |
| N2 | O3 | HO3 | 109.5° | 103.5° |
| O3 | N2 | HN2 | 110.2° | 109.1° |
| N2 | S1 | O2 | 110.4° | 108.7° |
| N2 | S1 | O1 | 110.3° | 109.0° |
| N2 | S1 | N1 | 107.8° | 99.5° |
| S1 | N2 | HN2 | 110.2° | 115.8° |
| O2 | S1 | O1 | 107.0° | 121.0° |
| O2 | S1 | N1 | 112.3° | 108.4° |
| O1 | S1 | N1 | 109.0° | 108.2° |
| S1 | N1 | HN11 | 109.5° | 117.5° |
| S1 | N1 | HN12 | 109.5° | 117.6° |
| HN11 | N1 | HN12 | 109.4° | 113.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | N2 | S1 | HN2 | 120.0° | 120.4° |
| O3 | N2 | S1 | O2 | 74.6° | 67.1° |
| O3 | N2 | S1 | O1 | 167.3° | 66.5° |
| O3 | N2 | S1 | N1 | 48.5° | 179.6° |
| N2 | S1 | O2 | O1 | 120.0° | 127.1° |
| N2 | S1 | O2 | N1 | 120.4° | 107.2° |
| N2 | S1 | O1 | N1 | 118.2° | 107.2° |
| S1 | N2 | O3 | HO3 | 133.8° | 81.7° |
| N2 | S1 | N1 | HN11 | 48.7° | 70.8° |
| N2 | S1 | N1 | HN12 | 71.3° | 70.9° |
| O2 | S1 | O1 | N1 | 121.7° | 125.8° |
| O2 | S1 | N2 | HN2 | 165.4° | 53.2° |
| O2 | S1 | N1 | HN11 | 73.2° | 42.6° |
| O2 | S1 | N1 | HN12 | 166.8° | 175.7° |
| O1 | S1 | N2 | HN2 | 47.3° | 173.1° |
| O1 | S1 | N1 | HN11 | 168.4° | 175.5° |
| O1 | S1 | N1 | HN12 | 48.4° | 42.8° |
| N1 | S1 | N2 | HN2 | 71.5° | 60.0° |
| S1 | N1 | HN11 | HN12 | 120.0° | 143.1° |
| HO3 | O3 | N2 | HN2 | 106.2° | 153.6° |
