HV2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| C2 | C7 | sing | 1.53Å | 1.57Å | |
| C2 | O1 | sing | 1.43Å | 1.41Å | |
| C3 | S4 | sing | 1.81Å | 1.79Å | |
| C7 | S4 | sing | 1.81Å | 1.79Å | |
| S4 | O5 | doub | 1.42Å | 1.42Å | |
| S4 | O6 | doub | 1.42Å | 1.43Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C7 | 90.4° | 89.8° |
| C3 | C2 | O1 | 118.0° | 113.1° |
| C2 | C3 | S4 | 88.3° | 89.9° |
| C2 | C3 | H11 | 114.5° | 113.1° |
| C2 | C3 | H10 | 114.5° | 113.2° |
| C3 | C2 | H9 | 108.8° | 113.2° |
| C7 | C2 | O1 | 117.9° | 113.1° |
| C2 | C7 | S4 | 88.2° | 89.9° |
| C2 | C7 | H12 | 114.5° | 113.2° |
| C2 | C7 | H13 | 114.5° | 113.1° |
| C7 | C2 | H9 | 108.9° | 113.1° |
| C2 | O1 | H8 | 109.5° | 114.0° |
| O1 | C2 | H9 | 111.0° | 112.6° |
| C3 | S4 | C7 | 76.7° | 73.1° |
| C3 | S4 | O5 | 112.5° | 112.8° |
| C3 | S4 | O6 | 113.6° | 112.8° |
| S4 | C3 | H11 | 114.5° | 113.2° |
| S4 | C3 | H10 | 114.5° | 113.2° |
| C7 | S4 | O5 | 112.0° | 112.8° |
| C7 | S4 | O6 | 113.5° | 112.7° |
| S4 | C7 | H12 | 114.5° | 113.2° |
| S4 | C7 | H13 | 114.5° | 113.2° |
| O5 | S4 | O6 | 120.5° | 122.4° |
| H11 | C3 | H10 | 109.5° | 112.4° |
| H12 | C7 | H13 | 109.5° | 112.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C7 | O1 | 122.3° | 115.2° |
| C3 | C2 | C7 | H9 | 110.1° | 115.3° |
| C3 | C2 | O1 | H9 | 126.6° | 129.9° |
| C2 | C3 | S4 | H11 | 116.2° | 115.2° |
| C2 | C3 | S4 | H10 | 116.2° | 115.3° |
| C3 | C2 | C7 | S4 | 31.7° | 32.9° |
| C2 | C3 | S4 | O5 | 80.4° | 79.5° |
| C2 | C3 | S4 | O6 | 138.3° | 136.7° |
| C2 | C3 | H11 | H10 | 130.1° | 129.7° |
| C3 | C2 | C7 | H12 | 84.4° | 82.4° |
| C3 | C2 | C7 | H13 | 148.0° | 148.2° |
| C3 | C2 | O1 | H8 | 180.0° | 180.0° |
| C7 | C2 | O1 | H9 | 126.6° | 129.8° |
| C2 | C7 | S4 | H12 | 116.2° | 115.3° |
| C2 | C7 | S4 | H13 | 116.2° | 115.3° |
| C2 | C7 | S4 | O5 | 80.9° | 79.5° |
| C2 | C7 | S4 | O6 | 138.6° | 136.8° |
| C7 | C2 | C3 | H11 | 148.0° | 148.2° |
| C7 | C2 | C3 | H10 | 84.4° | 82.4° |
| C2 | C7 | H12 | H13 | 130.1° | 129.8° |
| C7 | C2 | O1 | H8 | 73.1° | 79.7° |
| O1 | C2 | C3 | S4 | 154.1° | 148.1° |
| O1 | C2 | C7 | S4 | 154.0° | 148.1° |
| O1 | C2 | C3 | H11 | 89.7° | 96.6° |
| O1 | C2 | C3 | H10 | 37.9° | 32.8° |
| O1 | C2 | C7 | H12 | 37.9° | 32.8° |
| O1 | C2 | C7 | H13 | 89.7° | 96.6° |
| C3 | S4 | C7 | O5 | 109.2° | 108.2° |
| C3 | S4 | C7 | O6 | 110.3° | 108.2° |
| C3 | S4 | O5 | O6 | 138.3° | 139.8° |
| S4 | C3 | H11 | H10 | 130.1° | 129.8° |
| C3 | S4 | C7 | H12 | 87.9° | 86.7° |
| C3 | S4 | C7 | H13 | 144.5° | 143.9° |
| S4 | C3 | C2 | H9 | 78.3° | 82.3° |
| C7 | S4 | O5 | O6 | 137.4° | 139.7° |
| C7 | S4 | C3 | H11 | 144.5° | 143.9° |
| C7 | S4 | C3 | H10 | 88.0° | 86.7° |
| S4 | C7 | H12 | H13 | 130.1° | 129.8° |
| S4 | C7 | C2 | H9 | 78.3° | 82.4° |
| O5 | S4 | C3 | H11 | 35.8° | 35.7° |
| O5 | S4 | C3 | H10 | 163.4° | 165.2° |
| O5 | S4 | C7 | H12 | 162.9° | 165.2° |
| O5 | S4 | C7 | H13 | 35.3° | 35.7° |
| O6 | S4 | C3 | H11 | 105.4° | 108.0° |
| O6 | S4 | C3 | H10 | 22.1° | 21.4° |
| O6 | S4 | C7 | H12 | 22.4° | 21.5° |
| O6 | S4 | C7 | H13 | 105.2° | 108.0° |
| H11 | C3 | C2 | H9 | 37.9° | 33.0° |
| H10 | C3 | C2 | H9 | 165.5° | 162.4° |
| H12 | C7 | C2 | H9 | 165.5° | 162.3° |
| H13 | C7 | C2 | H9 | 37.9° | 32.9° |
| H8 | O1 | C2 | H9 | 53.5° | 50.1° |
