HSH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1A | C2A | sing | 1.53Å | 1.55Å | |
| C2A | C3A | sing | 1.53Å | 1.55Å | |
| C3A | C4A | sing | 1.53Å | 1.55Å | |
| C4A | C5A | sing | 1.53Å | 1.55Å | |
| C5A | C6A | sing | 1.53Å | 1.55Å | |
| C6A | C7 | sing | 1.53Å | 1.55Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | O1 | sing | 1.43Å | 1.45Å | |
| O1 | C1 | sing | 1.43Å | 1.44Å | |
| C1 | O5 | sing | 1.43Å | 1.45Å | |
| O5 | C5 | sing | 1.43Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C5 | C4 | sing | 1.53Å | 1.56Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C1A | H1A | sing | 1.09Å | 1.10Å | |
| C1A | H2A | sing | 1.09Å | 1.10Å | |
| C1A | H3A | sing | 1.09Å | 1.10Å | |
| C2A | H4A | sing | 1.09Å | 1.10Å | |
| C2A | H5A | sing | 1.09Å | 1.10Å | |
| C3A | H6 | sing | 1.09Å | 1.10Å | |
| C3A | H7 | sing | 1.09Å | 1.10Å | |
| C4A | H8 | sing | 1.09Å | 1.10Å | |
| C4A | H9 | sing | 1.09Å | 1.10Å | |
| C5A | H10 | sing | 1.09Å | 1.10Å | |
| C5A | H11 | sing | 1.09Å | 1.10Å | |
| C6A | H12 | sing | 1.09Å | 1.10Å | |
| C6A | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1A | C2A | C3A | 112.7° | 109.5° |
| C2A | C1A | H1A | 109.5° | 109.5° |
| C2A | C1A | H2A | 109.5° | 109.5° |
| C2A | C1A | H3A | 109.4° | 109.4° |
| C1A | C2A | H4A | 108.4° | 109.5° |
| C1A | C2A | H5A | 107.6° | 109.5° |
| C2A | C3A | C4A | 112.9° | 109.5° |
| C3A | C2A | H4A | 108.4° | 109.5° |
| C3A | C2A | H5A | 107.7° | 109.4° |
| C2A | C3A | H6 | 108.3° | 109.5° |
| C2A | C3A | H7 | 107.6° | 109.4° |
| C3A | C4A | C5A | 112.7° | 109.4° |
| C4A | C3A | H6 | 108.4° | 109.5° |
| C4A | C3A | H7 | 107.6° | 109.5° |
| C3A | C4A | H8 | 108.4° | 109.5° |
| C3A | C4A | H9 | 107.7° | 109.5° |
| C4A | C5A | C6A | 112.7° | 109.4° |
| C5A | C4A | H8 | 108.4° | 109.5° |
| C5A | C4A | H9 | 107.7° | 109.5° |
| C4A | C5A | H10 | 108.4° | 109.5° |
| C4A | C5A | H11 | 107.7° | 109.5° |
| C5A | C6A | C7 | 113.3° | 109.4° |
| C6A | C5A | H10 | 108.4° | 109.5° |
| C6A | C5A | H11 | 107.7° | 109.5° |
| C5A | C6A | H12 | 108.2° | 109.5° |
| C5A | C6A | H13 | 107.4° | 109.5° |
| C6A | C7 | C8 | 112.6° | 109.5° |
| C7 | C6A | H12 | 108.3° | 109.4° |
| C7 | C6A | H13 | 107.4° | 109.5° |
| C6A | C7 | H14 | 108.4° | 109.5° |
| C6A | C7 | H15 | 107.7° | 109.5° |
| C7 | C8 | O1 | 110.3° | 109.4° |
| C8 | C7 | H14 | 108.4° | 109.5° |
| C8 | C7 | H15 | 107.7° | 109.5° |
| C7 | C8 | H16 | 109.2° | 109.5° |
| C7 | C8 | H17 | 109.0° | 109.5° |
| C8 | O1 | C1 | 114.5° | 114.0° |
| O1 | C8 | H16 | 109.2° | 109.5° |
| O1 | C8 | H17 | 109.0° | 109.5° |
| O1 | C1 | O5 | 113.7° | 109.4° |
| O1 | C1 | C2 | 111.8° | 109.5° |
| O1 | C1 | H1 | 104.7° | 109.5° |
| C1 | O5 | C5 | 117.7° | 114.1° |
| O5 | C1 | C2 | 109.2° | 109.4° |
| O5 | C1 | H1 | 107.6° | 109.4° |
| O5 | C5 | C6 | 113.0° | 109.5° |
| O5 | C5 | C4 | 110.9° | 109.4° |
| O5 | C5 | H5 | 108.5° | 109.5° |
| C5 | C6 | O6 | 111.6° | 109.4° |
| C6 | C5 | C4 | 115.8° | 109.5° |
| C6 | C5 | H5 | 102.6° | 109.5° |
| C5 | C6 | H61 | 108.7° | 109.5° |
| C5 | C6 | H62 | 108.3° | 109.5° |
| O6 | C6 | H61 | 108.8° | 109.5° |
| O6 | C6 | H62 | 108.3° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C5 | C4 | O4 | 112.0° | 109.5° |
| C5 | C4 | C3 | 112.6° | 109.2° |
| C4 | C5 | H5 | 105.1° | 109.5° |
| C5 | C4 | H4 | 106.0° | 109.5° |
| O4 | C4 | C3 | 110.9° | 109.5° |
| O4 | C4 | H4 | 107.9° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C3 | O3 | 109.2° | 109.5° |
| C4 | C3 | C2 | 110.9° | 109.0° |
| C3 | C4 | H4 | 107.1° | 109.6° |
| C4 | C3 | H3 | 109.5° | 109.5° |
| O3 | C3 | C2 | 111.8° | 109.5° |
| O3 | C3 | H3 | 108.6° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C2 | C1 | 112.6° | 109.2° |
| C3 | C2 | O2 | 108.6° | 109.5° |
| C2 | C3 | H3 | 106.8° | 109.6° |
| C3 | C2 | H2 | 106.7° | 109.6° |
| C1 | C2 | O2 | 105.3° | 109.5° |
| C2 | C1 | H1 | 109.6° | 109.5° |
| C1 | C2 | H2 | 110.0° | 109.5° |
| O2 | C2 | H2 | 113.8° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| H1A | C1A | H2A | 109.4° | 109.5° |
| H1A | C1A | H3A | 109.4° | 109.5° |
| H2A | C1A | H3A | 109.5° | 109.4° |
| H4A | C2A | H5A | 112.1° | 109.4° |
| H6 | C3A | H7 | 112.2° | 109.4° |
| H8 | C4A | H9 | 112.0° | 109.5° |
| H10 | C5A | H11 | 112.0° | 109.5° |
| H12 | C6A | H13 | 112.4° | 109.5° |
| H14 | C7 | H15 | 112.0° | 109.4° |
| H16 | C8 | H17 | 110.1° | 109.5° |
| H61 | C6 | H62 | 111.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1A | C2A | C3A | H4A | 120.0° | 120.0° |
| C1A | C2A | C3A | H5A | 118.6° | 120.0° |
| C1A | C2A | C3A | C4A | 178.1° | 180.0° |
| C2A | C1A | H1A | H2A | 120.0° | 120.0° |
| C2A | C1A | H1A | H3A | 120.0° | 120.0° |
| C2A | C1A | H2A | H3A | 120.0° | 120.0° |
| C1A | C2A | H4A | H5A | 118.7° | 120.0° |
| C1A | C2A | C3A | H6 | 58.1° | 60.0° |
| C1A | C2A | C3A | H7 | 63.4° | 60.0° |
| C2A | C3A | C4A | H6 | 120.0° | 120.0° |
| C2A | C3A | C4A | H7 | 118.5° | 120.0° |
| C2A | C3A | C4A | C5A | 177.6° | 180.0° |
| C3A | C2A | C1A | H1A | 139.1° | 60.0° |
| C3A | C2A | C1A | H2A | 100.9° | 60.0° |
| C3A | C2A | C1A | H3A | 19.1° | 180.0° |
| C3A | C2A | H4A | H5A | 118.7° | 119.9° |
| C2A | C3A | H6 | H7 | 118.6° | 119.9° |
| C2A | C3A | C4A | H8 | 62.5° | 60.0° |
| C2A | C3A | C4A | H9 | 58.9° | 60.0° |
| C3A | C4A | C5A | H8 | 120.0° | 120.0° |
| C3A | C4A | C5A | H9 | 118.6° | 120.0° |
| C3A | C4A | C5A | C6A | 178.6° | 180.0° |
| C4A | C3A | C2A | H4A | 61.9° | 60.0° |
| C4A | C3A | C2A | H5A | 59.5° | 60.0° |
| C4A | C3A | H6 | H7 | 118.6° | 120.0° |
| C3A | C4A | H8 | H9 | 118.7° | 120.0° |
| C3A | C4A | C5A | H10 | 58.6° | 60.0° |
| C3A | C4A | C5A | H11 | 62.7° | 60.0° |
| C4A | C5A | C6A | H10 | 120.0° | 119.9° |
| C4A | C5A | C6A | H11 | 118.6° | 120.0° |
| C4A | C5A | C6A | C7 | 177.1° | 180.0° |
| C5A | C4A | C3A | H6 | 57.6° | 60.0° |
| C5A | C4A | C3A | H7 | 63.9° | 60.0° |
| C5A | C4A | H8 | H9 | 118.7° | 120.0° |
| C4A | C5A | H10 | H11 | 118.7° | 120.0° |
| C4A | C5A | C6A | H12 | 57.1° | 60.0° |
| C4A | C5A | C6A | H13 | 64.5° | 60.0° |
| C5A | C6A | C7 | H12 | 120.0° | 119.9° |
| C5A | C6A | C7 | H13 | 118.4° | 120.0° |
| C5A | C6A | C7 | C8 | 176.9° | 180.0° |
| C6A | C5A | C4A | H8 | 61.4° | 60.0° |
| C6A | C5A | C4A | H9 | 60.0° | 60.0° |
| C6A | C5A | H10 | H11 | 118.7° | 120.1° |
| C5A | C6A | H12 | H13 | 118.5° | 120.1° |
| C5A | C6A | C7 | H14 | 63.1° | 60.0° |
| C5A | C6A | C7 | H15 | 58.3° | 60.0° |
| C6A | C7 | C8 | H14 | 120.0° | 120.0° |
| C6A | C7 | C8 | H15 | 118.6° | 120.0° |
| C6A | C7 | C8 | O1 | 172.4° | 180.0° |
| C7 | C6A | C5A | H10 | 62.9° | 60.1° |
| C7 | C6A | C5A | H11 | 58.5° | 60.0° |
| C7 | C6A | H12 | H13 | 118.4° | 120.0° |
| C6A | C7 | H14 | H15 | 118.7° | 120.0° |
| C6A | C7 | C8 | H16 | 52.4° | 60.0° |
| C6A | C7 | C8 | H17 | 67.9° | 60.0° |
| C7 | C8 | O1 | H16 | 120.0° | 120.0° |
| C7 | C8 | O1 | H17 | 119.7° | 120.0° |
| C7 | C8 | O1 | C1 | 170.6° | 180.0° |
| C8 | C7 | C6A | H12 | 56.9° | 60.0° |
| C8 | C7 | C6A | H13 | 64.7° | 60.0° |
| C8 | C7 | H14 | H15 | 118.7° | 120.0° |
| C7 | C8 | H16 | H17 | 119.7° | 120.0° |
| C8 | O1 | C1 | O5 | 66.8° | 65.0° |
| C8 | O1 | C1 | C2 | 169.0° | 175.1° |
| O1 | C8 | C7 | H14 | 67.6° | 60.0° |
| O1 | C8 | C7 | H15 | 53.8° | 60.0° |
| O1 | C8 | H16 | H17 | 119.6° | 120.0° |
| C8 | O1 | C1 | H1 | 50.3° | 55.0° |
| O1 | C1 | O5 | C2 | 125.7° | 120.0° |
| O1 | C1 | O5 | H1 | 115.5° | 120.0° |
| O1 | C1 | O5 | C5 | 68.3° | 178.8° |
| O1 | C1 | C2 | C3 | 73.2° | 177.6° |
| O1 | C1 | C2 | H1 | 115.7° | 120.1° |
| O1 | C1 | C2 | O2 | 168.7° | 62.5° |
| C1 | O1 | C8 | H16 | 50.5° | 60.0° |
| C1 | O1 | C8 | H17 | 69.8° | 60.0° |
| O1 | C1 | C2 | H2 | 45.7° | 57.6° |
| C1 | O5 | C5 | C6 | 76.8° | 178.9° |
| C1 | O5 | C5 | C4 | 55.2° | 61.1° |
| O5 | C1 | C2 | C3 | 53.5° | 57.6° |
| O5 | C1 | C2 | H1 | 117.6° | 120.0° |
| O5 | C1 | C2 | O2 | 64.6° | 177.5° |
| C1 | O5 | C5 | H5 | 170.1° | 58.8° |
| O5 | C1 | C2 | H2 | 172.4° | 62.3° |
| O5 | C5 | C6 | C4 | 129.5° | 119.9° |
| O5 | C5 | C6 | H5 | 116.6° | 120.1° |
| O5 | C5 | C6 | O6 | 165.9° | 65.0° |
| O5 | C5 | C4 | H5 | 117.1° | 120.0° |
| O5 | C5 | C4 | O4 | 174.2° | 62.3° |
| O5 | C5 | C4 | C3 | 48.4° | 57.6° |
| C5 | O5 | C1 | C2 | 57.4° | 61.2° |
| C5 | O5 | C1 | H1 | 176.3° | 58.8° |
| O5 | C5 | C6 | H61 | 74.1° | 175.0° |
| O5 | C5 | C6 | H62 | 46.8° | 54.9° |
| O5 | C5 | C4 | H4 | 68.4° | 177.6° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 119.1° | 120.0° |
| C6 | C5 | C4 | H5 | 112.5° | 120.0° |
| C6 | C5 | C4 | O4 | 43.7° | 57.7° |
| C6 | C5 | C4 | C3 | 82.1° | 177.6° |
| C5 | C6 | H61 | H62 | 119.1° | 120.0° |
| C5 | C6 | O6 | HO6 | 169.8° | 180.0° |
| C6 | C5 | C4 | H4 | 161.1° | 62.5° |
| O6 | C6 | C5 | C4 | 64.7° | 175.1° |
| O6 | C6 | C5 | H5 | 49.2° | 55.0° |
| O6 | C6 | H61 | H62 | 119.1° | 120.0° |
| C5 | C4 | O4 | C3 | 126.8° | 119.7° |
| C5 | C4 | O4 | H4 | 116.2° | 120.1° |
| C5 | C4 | C3 | H4 | 116.1° | 119.9° |
| C5 | C4 | C3 | O3 | 75.8° | 176.9° |
| C5 | C4 | C3 | C2 | 47.8° | 57.0° |
| C4 | C5 | C6 | H61 | 55.3° | 55.1° |
| C4 | C5 | C6 | H62 | 176.2° | 65.0° |
| C5 | C4 | O4 | HO4 | 40.7° | 180.0° |
| C5 | C4 | C3 | H3 | 165.4° | 63.0° |
| O4 | C4 | C3 | H4 | 117.5° | 120.2° |
| O4 | C4 | C3 | O3 | 50.6° | 57.0° |
| O4 | C4 | C3 | C2 | 174.2° | 62.9° |
| O4 | C4 | C5 | H5 | 68.7° | 177.7° |
| O4 | C4 | C3 | H3 | 68.2° | 177.1° |
| C4 | C3 | O3 | C2 | 123.1° | 119.5° |
| C4 | C3 | O3 | H3 | 119.3° | 120.2° |
| C4 | C3 | C2 | H3 | 119.2° | 119.9° |
| C4 | C3 | C2 | C1 | 50.8° | 57.0° |
| C4 | C3 | C2 | O2 | 65.3° | 176.9° |
| C3 | C4 | C5 | H5 | 165.4° | 62.4° |
| C3 | C4 | O4 | HO4 | 86.1° | 60.3° |
| C4 | C3 | O3 | HO3 | 101.6° | 180.0° |
| C4 | C3 | C2 | H2 | 171.6° | 62.9° |
| O3 | C3 | C2 | H3 | 118.7° | 120.2° |
| O3 | C3 | C2 | C1 | 71.3° | 176.9° |
| O3 | C3 | C2 | O2 | 172.6° | 63.3° |
| O3 | C3 | C4 | H4 | 168.1° | 63.2° |
| O3 | C3 | C2 | H2 | 49.5° | 56.9° |
| C3 | C2 | C1 | O2 | 118.2° | 119.9° |
| C3 | C2 | C1 | H2 | 118.8° | 120.0° |
| C3 | C2 | O2 | H2 | 118.7° | 120.2° |
| C3 | C2 | C1 | H1 | 171.1° | 62.3° |
| C2 | C3 | C4 | H4 | 68.3° | 176.9° |
| C2 | C3 | O3 | HO3 | 21.5° | 60.4° |
| C3 | C2 | O2 | HO2 | 17.0° | 179.7° |
| C1 | C2 | O2 | H2 | 120.5° | 120.1° |
| C1 | C2 | C3 | H3 | 170.1° | 62.9° |
| C1 | C2 | O2 | HO2 | 137.8° | 60.0° |
| O2 | C2 | C1 | H1 | 53.0° | 57.6° |
| O2 | C2 | C3 | H3 | 53.9° | 57.0° |
| H1A | C1A | H2A | H3A | 120.0° | 120.0° |
| H1A | C1A | C2A | H4A | 100.9° | 60.0° |
| H1A | C1A | C2A | H5A | 20.5° | 180.0° |
| H2A | C1A | C2A | H4A | 19.1° | 179.9° |
| H2A | C1A | C2A | H5A | 140.5° | 59.9° |
| H3A | C1A | C2A | H4A | 139.1° | 60.0° |
| H3A | C1A | C2A | H5A | 99.5° | 60.0° |
| H4A | C2A | C3A | H6 | 178.1° | NaN° |
| H4A | C2A | C3A | H7 | 56.6° | 60.1° |
| H5A | C2A | C3A | H6 | 60.5° | 60.1° |
| H5A | C2A | C3A | H7 | 178.0° | 180.0° |
| H6 | C3A | C4A | H8 | 177.6° | 180.0° |
| H6 | C3A | C4A | H9 | 61.0° | 60.0° |
| H7 | C3A | C4A | H8 | 56.1° | 60.0° |
| H7 | C3A | C4A | H9 | 177.5° | NaN° |
| H8 | C4A | C5A | H10 | 178.6° | 180.0° |
| H8 | C4A | C5A | H11 | 57.2° | 60.0° |
| H9 | C4A | C5A | H10 | 60.0° | 60.0° |
| H9 | C4A | C5A | H11 | 178.6° | 180.0° |
| H10 | C5A | C6A | H12 | 177.1° | 180.0° |
| H10 | C5A | C6A | H13 | 55.5° | 59.9° |
| H11 | C5A | C6A | H12 | 61.5° | 59.9° |
| H11 | C5A | C6A | H13 | 176.9° | NaN° |
| H12 | C6A | C7 | H14 | 176.9° | 180.0° |
| H12 | C6A | C7 | H15 | 61.7° | 60.0° |
| H13 | C6A | C7 | H14 | 55.3° | 60.0° |
| H13 | C6A | C7 | H15 | 176.6° | NaN° |
| H14 | C7 | C8 | H16 | 172.4° | 180.0° |
| H14 | C7 | C8 | H17 | 52.0° | 60.0° |
| H15 | C7 | C8 | H16 | 66.2° | 60.0° |
| H15 | C7 | C8 | H17 | 173.4° | NaN° |
| H1 | C1 | C2 | H2 | 70.0° | 177.7° |
| H5 | C5 | C6 | H61 | 169.2° | 64.9° |
| H5 | C5 | C6 | H62 | 69.8° | 175.0° |
| H5 | C5 | C4 | H4 | 48.6° | 57.6° |
| H61 | C6 | O6 | HO6 | 70.2° | 60.0° |
| H62 | C6 | O6 | HO6 | 50.7° | 60.1° |
| H4 | C4 | O4 | HO4 | 156.9° | 59.9° |
| H4 | C4 | C3 | H3 | 49.3° | 56.9° |
| H3 | C3 | O3 | HO3 | 139.1° | 59.9° |
| H3 | C3 | C2 | H2 | 69.2° | 177.2° |
| H2 | C2 | O2 | HO2 | 101.7° | 60.1° |
