Obsolete: H3S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.60Å | |
| C1 | O3 | sing | 1.43Å | 1.44Å | |
| C1 | C4 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | O5 | sing | 1.43Å | 1.47Å | |
| C2 | C6 | sing | 1.53Å | 1.55Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| O3 | C7 | sing | 1.43Å | 1.49Å | |
| C4 | C8 | sing | 1.53Å | 1.54Å | |
| C4 | O9 | sing | 1.43Å | 1.44Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| O5 | C10 | sing | 1.43Å | 1.47Å | |
| C6 | O11 | sing | 1.43Å | 1.44Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C12 | sing | 1.53Å | 1.58Å | |
| C7 | O13 | sing | 1.42Å | 1.49Å | |
| C7 | H7 | sing | 1.09Å | 1.11Å | |
| C8 | C10 | sing | 1.53Å | 1.55Å | |
| C8 | N14 | sing | 1.47Å | 1.46Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C10 | O15 | sing | 1.43Å | 1.45Å | |
| C10 | H10 | sing | 1.09Å | 1.12Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| C12 | C17 | sing | 1.54Å | 1.59Å | |
| C12 | O18 | sing | 1.43Å | 1.45Å | |
| C12 | H12 | sing | 1.09Å | 1.11Å | |
| O13 | C19 | sing | 1.34Å | 1.38Å | |
| N14 | S20 | sing | 1.66Å | 1.64Å | |
| N14 | H14 | sing | 0.97Å | 1.02Å | |
| O15 | H15 | sing | 0.97Å | 0.95Å | |
| C17 | C24 | sing | 1.51Å | 1.55Å | |
| C17 | O25 | sing | 1.43Å | 1.43Å | |
| C17 | H17 | sing | 1.09Å | 1.12Å | |
| O18 | S26 | sing | 1.52Å | 1.56Å | |
| C19 | C24 | doub | 1.32Å | 1.37Å | |
| C19 | C27 | sing | 1.47Å | 1.48Å | |
| S20 | O28 | doub | 1.45Å | 1.43Å | |
| S20 | O29 | doub | 1.46Å | 1.42Å | |
| S20 | O30 | sing | 1.45Å | 1.66Å | |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| S26 | O31 | doub | 1.45Å | 1.43Å | |
| S26 | O32 | doub | 1.45Å | 1.44Å | |
| S26 | O33 | sing | 1.45Å | 1.66Å | |
| C27 | O34 | sing | 1.22Å | 1.21Å | |
| C27 | O35 | doub | 1.22Å | 1.40Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O3 | 111.2° | 109.6° |
| C2 | C1 | C4 | 107.1° | 109.1° |
| C2 | C1 | H1 | 112.1° | 109.7° |
| C1 | C2 | O5 | 113.1° | 109.7° |
| C1 | C2 | C6 | 110.8° | 109.4° |
| C1 | C2 | H2 | 106.1° | 109.4° |
| O3 | C1 | C4 | 115.2° | 109.5° |
| O3 | C1 | H1 | 103.4° | 109.5° |
| C1 | O3 | C7 | 115.4° | 106.8° |
| C4 | C1 | H1 | 107.9° | 109.5° |
| C1 | C4 | C8 | 110.5° | 108.6° |
| C1 | C4 | O9 | 108.2° | 109.8° |
| C1 | C4 | H4 | 110.2° | 109.7° |
| O5 | C2 | C6 | 109.8° | 109.4° |
| O5 | C2 | H2 | 107.3° | 109.4° |
| C2 | O5 | C10 | 113.1° | 107.6° |
| C6 | C2 | H2 | 109.6° | 109.5° |
| C2 | C6 | O11 | 111.6° | 109.4° |
| C2 | C6 | H61 | 111.4° | 109.5° |
| C2 | C6 | H62 | 111.5° | 109.5° |
| O3 | C7 | C12 | 111.9° | 109.5° |
| O3 | C7 | O13 | 109.8° | 109.5° |
| O3 | C7 | H7 | 107.0° | 109.5° |
| C8 | C4 | O9 | 111.3° | 109.6° |
| C8 | C4 | H4 | 107.1° | 109.6° |
| C4 | C8 | C10 | 109.3° | 109.0° |
| C4 | C8 | N14 | 110.3° | 109.6° |
| C4 | C8 | H8 | 108.9° | 109.5° |
| O9 | C4 | H4 | 109.5° | 109.6° |
| C4 | O9 | HO9 | 108.1° | 106.8° |
| O5 | C10 | C8 | 110.6° | 109.8° |
| O5 | C10 | O15 | 109.9° | 109.4° |
| O5 | C10 | H10 | 108.5° | 109.5° |
| O11 | C6 | H61 | 111.4° | 109.5° |
| O11 | C6 | H62 | 111.4° | 109.5° |
| C6 | O11 | H11 | 111.6° | 106.8° |
| H61 | C6 | H62 | 98.9° | 109.5° |
| C12 | C7 | O13 | 107.4° | 109.3° |
| C12 | C7 | H7 | 109.4° | 109.5° |
| C7 | C12 | C17 | 109.0° | 107.4° |
| C7 | C12 | O18 | 108.6° | 110.0° |
| C7 | C12 | H12 | 109.8° | 109.8° |
| O13 | C7 | H7 | 111.5° | 109.6° |
| C7 | O13 | C19 | 120.4° | 110.1° |
| C10 | C8 | N14 | 109.3° | 109.6° |
| C10 | C8 | H8 | 110.0° | 109.6° |
| C8 | C10 | O15 | 109.9° | 109.3° |
| C8 | C10 | H10 | 108.6° | 109.4° |
| N14 | C8 | H8 | 109.0° | 109.6° |
| C8 | N14 | S20 | 118.9° | 120.0° |
| C8 | N14 | H14 | 108.8° | 120.0° |
| O15 | C10 | H10 | 109.3° | 109.4° |
| C10 | O15 | H15 | 109.9° | 106.8° |
| C17 | C12 | O18 | 107.6° | 109.9° |
| C17 | C12 | H12 | 110.7° | 109.9° |
| C12 | C17 | C24 | 113.4° | 108.1° |
| C12 | C17 | O25 | 109.2° | 109.8° |
| C12 | C17 | H17 | 106.8° | 109.6° |
| O18 | C12 | H12 | 111.1° | 109.9° |
| C12 | O18 | S26 | 113.8° | 106.8° |
| O13 | C19 | C24 | 120.5° | 126.5° |
| O13 | C19 | C27 | 117.9° | 116.7° |
| S20 | N14 | H14 | 108.8° | 120.0° |
| N14 | S20 | O28 | 109.9° | 106.4° |
| N14 | S20 | O29 | 109.1° | 106.4° |
| N14 | S20 | O30 | 109.0° | 106.4° |
| C24 | C17 | O25 | 108.9° | 109.8° |
| C24 | C17 | H17 | 107.1° | 109.7° |
| C17 | C24 | C19 | 121.9° | 122.3° |
| C17 | C24 | H24 | 125.1° | 118.8° |
| O25 | C17 | H17 | 111.4° | 109.7° |
| C17 | O25 | H25 | 109.2° | 106.8° |
| O18 | S26 | O31 | 107.6° | 106.4° |
| O18 | S26 | O32 | 111.0° | 106.4° |
| O18 | S26 | O33 | 110.8° | 106.4° |
| C24 | C19 | C27 | 121.5° | 116.8° |
| C19 | C24 | H24 | 112.9° | 118.9° |
| C19 | C27 | O34 | 119.3° | 120.0° |
| C19 | C27 | O35 | 121.6° | 120.0° |
| O28 | S20 | O29 | 109.0° | 112.3° |
| O28 | S20 | O30 | 109.5° | 112.4° |
| O29 | S20 | O30 | 110.4° | 112.3° |
| O31 | S26 | O32 | 108.4° | 112.3° |
| O31 | S26 | O33 | 108.8° | 112.3° |
| O32 | S26 | O33 | 110.2° | 112.4° |
| O34 | C27 | O35 | 119.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O3 | C4 | 122.0° | 119.6° |
| C2 | C1 | O3 | H1 | 120.5° | 120.3° |
| C2 | C1 | C4 | H1 | 120.8° | 120.0° |
| C1 | C2 | O5 | C6 | 124.3° | 120.0° |
| C1 | C2 | O5 | H2 | 116.6° | 120.1° |
| C1 | C2 | C6 | H2 | 116.8° | 119.9° |
| C2 | C1 | O3 | C7 | 66.0° | 101.6° |
| C2 | C1 | C4 | C8 | 56.5° | 53.8° |
| C2 | C1 | C4 | O9 | 178.6° | 173.6° |
| C2 | C1 | C4 | H4 | 61.7° | 65.9° |
| C1 | C2 | O5 | C10 | 55.7° | 67.6° |
| C1 | C2 | C6 | O11 | 71.0° | 174.7° |
| C1 | C2 | C6 | H61 | 54.3° | 65.3° |
| C1 | C2 | C6 | H62 | 163.7° | 54.8° |
| O3 | C1 | C4 | H1 | 114.9° | 120.1° |
| O3 | C1 | C2 | O5 | 179.1° | 178.8° |
| O3 | C1 | C2 | C6 | 55.3° | 58.7° |
| O3 | C1 | C2 | H2 | 63.6° | 61.2° |
| O3 | C1 | C4 | C8 | 179.3° | 173.7° |
| O3 | C1 | C4 | O9 | 57.2° | 66.5° |
| O3 | C1 | C4 | H4 | 62.5° | 54.0° |
| C1 | O3 | C7 | C12 | 143.4° | 169.9° |
| C1 | O3 | C7 | O13 | 97.5° | 70.4° |
| C1 | O3 | C7 | H7 | 23.6° | 49.8° |
| C4 | C1 | C2 | O5 | 54.3° | 61.4° |
| C4 | C1 | C2 | C6 | 178.1° | 178.6° |
| C4 | C1 | C2 | H2 | 63.0° | 58.7° |
| C4 | C1 | O3 | C7 | 56.0° | 138.8° |
| C1 | C4 | C8 | O9 | 120.2° | 119.9° |
| C1 | C4 | C8 | H4 | 120.1° | 119.7° |
| C1 | C4 | O9 | H4 | 120.2° | 120.5° |
| C1 | C4 | C8 | C10 | 60.2° | 53.7° |
| C1 | C4 | C8 | N14 | 179.6° | 173.6° |
| C1 | C4 | C8 | H8 | 60.0° | 66.2° |
| C1 | C4 | O9 | HO9 | 180.0° | 179.2° |
| H1 | C1 | C2 | O5 | 63.8° | 58.6° |
| H1 | C1 | C2 | C6 | 59.9° | 61.5° |
| H1 | C1 | C2 | H2 | 178.9° | 178.6° |
| H1 | C1 | O3 | C7 | 173.5° | 18.7° |
| H1 | C1 | C4 | C8 | 64.3° | 66.2° |
| H1 | C1 | C4 | O9 | 57.7° | 53.6° |
| H1 | C1 | C4 | H4 | 177.4° | 174.1° |
| O5 | C2 | C6 | H2 | 117.6° | 119.8° |
| O5 | C2 | C6 | O11 | 54.6° | 65.0° |
| O5 | C2 | C6 | H61 | 179.9° | 55.0° |
| O5 | C2 | C6 | H62 | 70.7° | 175.0° |
| C2 | O5 | C10 | C8 | 56.9° | 67.6° |
| C2 | O5 | C10 | O15 | 64.7° | 52.4° |
| C2 | O5 | C10 | H10 | 175.9° | 172.3° |
| C6 | C2 | O5 | C10 | 179.9° | 172.4° |
| C2 | C6 | O11 | H61 | 125.3° | 120.0° |
| C2 | C6 | O11 | H62 | 125.3° | 120.0° |
| C2 | C6 | H61 | H62 | 117.3° | 120.0° |
| C2 | C6 | O11 | H11 | 180.0° | 180.0° |
| H2 | C2 | O5 | C10 | 60.9° | 52.5° |
| H2 | C2 | C6 | O11 | 172.2° | 54.8° |
| H2 | C2 | C6 | H61 | 62.5° | 174.8° |
| H2 | C2 | C6 | H62 | 46.9° | 65.2° |
| O3 | C7 | C12 | O13 | 120.5° | 119.9° |
| O3 | C7 | C12 | H7 | 118.3° | 120.1° |
| O3 | C7 | O13 | H7 | 118.4° | 120.1° |
| O3 | C7 | C12 | C17 | 63.5° | 171.4° |
| O3 | C7 | C12 | O18 | 179.5° | 51.9° |
| O3 | C7 | C12 | H12 | 57.9° | 69.1° |
| O3 | C7 | O13 | C19 | 69.4° | 176.9° |
| C8 | C4 | O9 | H4 | 118.2° | 120.3° |
| C4 | C8 | C10 | O5 | 58.4° | 61.2° |
| C4 | C8 | C10 | N14 | 120.8° | 119.9° |
| C4 | C8 | C10 | H8 | 119.6° | 119.9° |
| C4 | C8 | N14 | H8 | 119.5° | 120.2° |
| C8 | C4 | O9 | HO9 | 58.4° | 60.0° |
| C4 | C8 | C10 | O15 | 63.2° | 58.8° |
| C4 | C8 | C10 | H10 | 177.3° | 178.6° |
| C4 | C8 | N14 | S20 | 100.7° | 145.4° |
| C4 | C8 | N14 | H14 | 134.0° | 34.6° |
| O9 | C4 | C8 | C10 | 179.6° | 173.6° |
| O9 | C4 | C8 | N14 | 59.4° | 66.4° |
| O9 | C4 | C8 | H8 | 60.2° | 53.8° |
| H4 | C4 | C8 | C10 | 59.9° | 66.0° |
| H4 | C4 | C8 | N14 | 60.3° | 53.9° |
| H4 | C4 | C8 | H8 | 179.9° | 174.1° |
| H4 | C4 | O9 | HO9 | 59.9° | 60.3° |
| O5 | C10 | C8 | O15 | 121.5° | 120.0° |
| O5 | C10 | C8 | H10 | 119.0° | 120.1° |
| O5 | C10 | C8 | N14 | 179.2° | 178.9° |
| O5 | C10 | C8 | H8 | 61.2° | 58.6° |
| O5 | C10 | O15 | H10 | 119.0° | 119.9° |
| O5 | C10 | O15 | H15 | 180.0° | 60.0° |
| O11 | C6 | H61 | H62 | 117.3° | 120.0° |
| H61 | C6 | O11 | H11 | 54.7° | 60.0° |
| H62 | C6 | O11 | H11 | 54.7° | 60.0° |
| C12 | C7 | O13 | H7 | 119.8° | 120.0° |
| C7 | C12 | C17 | O18 | 117.6° | 119.6° |
| C7 | C12 | C17 | H12 | 120.8° | 119.4° |
| C7 | C12 | O18 | H12 | 120.8° | 121.0° |
| C12 | C7 | O13 | C19 | 52.4° | 57.0° |
| C7 | C12 | C17 | C24 | 38.1° | 42.6° |
| C7 | C12 | C17 | O25 | 83.5° | 162.4° |
| C7 | C12 | C17 | H17 | 155.8° | 77.0° |
| C7 | C12 | O18 | S26 | 101.4° | 147.0° |
| O13 | C7 | C12 | C17 | 57.0° | 68.7° |
| O13 | C7 | C12 | O18 | 59.9° | 171.8° |
| O13 | C7 | C12 | H12 | 178.4° | 50.7° |
| C7 | O13 | C19 | C24 | 23.2° | 23.9° |
| C7 | O13 | C19 | C27 | 157.2° | 156.1° |
| H7 | C7 | C12 | C17 | 178.1° | 51.3° |
| H7 | C7 | C12 | O18 | 61.2° | 68.2° |
| H7 | C7 | C12 | H12 | 60.5° | 170.8° |
| H7 | C7 | O13 | C19 | 172.2° | 63.0° |
| C10 | C8 | N14 | H8 | 120.2° | 120.2° |
| C8 | C10 | O15 | H10 | 119.0° | 119.8° |
| C10 | C8 | N14 | S20 | 139.1° | 95.0° |
| C10 | C8 | N14 | H14 | 13.8° | 85.0° |
| C8 | C10 | O15 | H15 | 58.0° | 179.7° |
| N14 | C8 | C10 | O15 | 57.7° | 61.1° |
| N14 | C8 | C10 | H10 | 61.8° | 58.7° |
| C8 | N14 | S20 | H14 | 125.3° | 180.0° |
| C8 | N14 | S20 | O28 | 61.3° | 65.0° |
| C8 | N14 | S20 | O29 | 179.3° | 175.0° |
| C8 | N14 | S20 | O30 | 58.8° | 55.0° |
| H8 | C8 | C10 | O15 | 177.2° | 178.7° |
| H8 | C8 | C10 | H10 | 57.8° | 61.5° |
| H8 | C8 | N14 | S20 | 18.8° | 25.2° |
| H8 | C8 | N14 | H14 | 106.5° | 154.8° |
| H10 | C10 | O15 | H15 | 61.0° | 59.9° |
| C17 | C12 | O18 | H12 | 121.3° | 121.0° |
| C12 | C17 | C24 | O25 | 121.8° | 119.8° |
| C12 | C17 | C24 | H17 | 117.5° | 119.5° |
| C12 | C17 | O25 | H17 | 117.7° | 120.5° |
| C17 | C12 | O18 | S26 | 140.7° | 95.0° |
| C12 | C17 | C24 | C19 | 9.5° | 11.9° |
| C12 | C17 | C24 | H24 | 170.5° | 168.0° |
| C12 | C17 | O25 | H25 | 180.0° | 178.7° |
| O18 | C12 | C17 | C24 | 79.5° | 162.2° |
| O18 | C12 | C17 | O25 | 158.9° | 78.0° |
| O18 | C12 | C17 | H17 | 38.3° | 42.6° |
| C12 | O18 | S26 | O31 | 179.8° | 75.0° |
| C12 | O18 | S26 | O32 | 61.8° | 165.0° |
| C12 | O18 | S26 | O33 | 60.9° | 45.0° |
| H12 | C12 | C17 | C24 | 158.9° | 76.8° |
| H12 | C12 | C17 | O25 | 37.3° | 43.0° |
| H12 | C12 | C17 | H17 | 83.4° | 163.6° |
| H12 | C12 | O18 | S26 | 19.4° | 26.0° |
| O13 | C19 | C24 | C17 | 0.1° | 0.8° |
| O13 | C19 | C24 | C27 | 179.6° | 180.0° |
| O13 | C19 | C24 | H24 | 179.9° | 179.1° |
| O13 | C19 | C27 | O34 | 10.1° | 0.0° |
| O13 | C19 | C27 | O35 | 170.3° | 179.9° |
| N14 | S20 | O28 | O29 | 119.4° | 116.1° |
| N14 | S20 | O28 | O30 | 119.7° | 116.1° |
| N14 | S20 | O29 | O30 | 119.7° | 116.1° |
| H14 | N14 | S20 | O28 | 173.5° | 115.0° |
| H14 | N14 | S20 | O29 | 54.1° | 5.0° |
| H14 | N14 | S20 | O30 | 66.5° | 125.0° |
| C24 | C17 | O25 | H17 | 117.9° | 120.7° |
| C17 | C24 | C19 | H24 | 180.0° | 179.9° |
| C17 | C24 | C19 | C27 | 179.5° | 179.2° |
| C24 | C17 | O25 | H25 | 55.7° | 60.0° |
| O25 | C17 | C24 | C19 | 112.3° | 131.6° |
| O25 | C17 | C24 | H24 | 67.7° | 48.2° |
| H17 | C17 | C24 | C19 | 127.1° | 107.7° |
| H17 | C17 | C24 | H24 | 53.0° | 72.4° |
| H17 | C17 | O25 | H25 | 62.2° | 60.7° |
| O18 | S26 | O31 | O32 | 120.1° | 116.0° |
| O18 | S26 | O31 | O33 | 120.1° | 116.1° |
| O18 | S26 | O32 | O33 | 123.1° | 116.1° |
| C24 | C19 | C27 | O34 | 169.5° | 180.0° |
| C24 | C19 | C27 | O35 | 10.1° | 0.1° |
| C27 | C19 | C24 | H24 | 0.5° | 0.9° |
| C19 | C27 | O34 | O35 | 179.6° | 179.9° |
| O28 | S20 | O29 | O30 | 120.3° | 127.8° |
| O31 | S26 | O32 | O33 | 118.9° | 127.8° |
