1DO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2S | C1 | sing | 1.43Å | 1.44Å | |
| O2S | H2S | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H1C1 | sing | 1.09Å | 1.12Å | |
| C1 | H1C2 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2C1 | sing | 1.09Å | 1.12Å | |
| C2 | H2C2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3C1 | sing | 1.09Å | 1.12Å | |
| C3 | H3C2 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H4C1 | sing | 1.09Å | 1.11Å | |
| C4 | H4C2 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H5C1 | sing | 1.09Å | 1.12Å | |
| C5 | H5C2 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H6C1 | sing | 1.09Å | 1.12Å | |
| C6 | H6C2 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H7C1 | sing | 1.09Å | 1.12Å | |
| C7 | H7C2 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H8C1 | sing | 1.09Å | 1.11Å | |
| C8 | H8C2 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H9C1 | sing | 1.09Å | 1.12Å | |
| C9 | H9C2 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C12 | H123 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2S | H2S | 110.2° | 106.8° |
| O2S | C1 | C2 | 110.2° | 109.5° |
| O2S | C1 | H1C1 | 111.9° | 109.5° |
| O2S | C1 | H1C2 | 112.0° | 109.4° |
| C2 | C1 | H1C1 | 112.0° | 109.5° |
| C2 | C1 | H1C2 | 111.9° | 109.5° |
| C1 | C2 | C3 | 112.1° | 109.5° |
| C1 | C2 | H2C1 | 111.3° | 109.5° |
| C1 | C2 | H2C2 | 111.3° | 109.5° |
| H1C1 | C1 | H1C2 | 98.5° | 109.5° |
| C3 | C2 | H2C1 | 111.2° | 109.5° |
| C3 | C2 | H2C2 | 111.2° | 109.4° |
| C2 | C3 | C4 | 114.0° | 109.5° |
| C2 | C3 | H3C1 | 110.6° | 109.5° |
| C2 | C3 | H3C2 | 110.5° | 109.5° |
| H2C1 | C2 | H2C2 | 99.1° | 109.5° |
| C4 | C3 | H3C1 | 110.5° | 109.4° |
| C4 | C3 | H3C2 | 110.5° | 109.4° |
| C3 | C4 | C5 | 113.0° | 109.5° |
| C3 | C4 | H4C1 | 110.9° | 109.5° |
| C3 | C4 | H4C2 | 110.9° | 109.5° |
| H3C1 | C3 | H3C2 | 99.7° | 109.5° |
| C5 | C4 | H4C1 | 110.9° | 109.5° |
| C5 | C4 | H4C2 | 110.9° | 109.4° |
| C4 | C5 | C6 | 112.3° | 109.5° |
| C4 | C5 | H5C1 | 111.2° | 109.5° |
| C4 | C5 | H5C2 | 111.2° | 109.4° |
| H4C1 | C4 | H4C2 | 99.4° | 109.5° |
| C6 | C5 | H5C1 | 111.2° | 109.5° |
| C6 | C5 | H5C2 | 111.2° | 109.5° |
| C5 | C6 | C7 | 110.0° | 109.5° |
| C5 | C6 | H6C1 | 112.0° | 109.5° |
| C5 | C6 | H6C2 | 112.0° | 109.5° |
| H5C1 | C5 | H5C2 | 99.2° | 109.5° |
| C7 | C6 | H6C1 | 112.0° | 109.5° |
| C7 | C6 | H6C2 | 112.0° | 109.4° |
| C6 | C7 | C8 | 112.3° | 109.5° |
| C6 | C7 | H7C1 | 111.2° | 109.5° |
| C6 | C7 | H7C2 | 111.2° | 109.4° |
| H6C1 | C6 | H6C2 | 98.4° | 109.5° |
| C8 | C7 | H7C1 | 111.2° | 109.5° |
| C8 | C7 | H7C2 | 111.2° | 109.5° |
| C7 | C8 | C9 | 110.3° | 109.5° |
| C7 | C8 | H8C1 | 111.9° | 109.5° |
| C7 | C8 | H8C2 | 111.9° | 109.4° |
| H7C1 | C7 | H7C2 | 99.2° | 109.5° |
| C9 | C8 | H8C1 | 111.9° | 109.5° |
| C9 | C8 | H8C2 | 111.9° | 109.5° |
| C8 | C9 | C10 | 111.9° | 109.5° |
| C8 | C9 | H9C1 | 111.3° | 109.5° |
| C8 | C9 | H9C2 | 111.3° | 109.4° |
| H8C1 | C8 | H8C2 | 98.5° | 109.5° |
| C10 | C9 | H9C1 | 111.3° | 109.5° |
| C10 | C9 | H9C2 | 111.3° | 109.4° |
| C9 | C10 | C11 | 112.1° | 109.5° |
| C9 | C10 | H101 | 111.3° | 109.5° |
| C9 | C10 | H102 | 111.3° | 109.5° |
| H9C1 | C9 | H9C2 | 99.1° | 109.5° |
| C11 | C10 | H101 | 111.3° | 109.5° |
| C11 | C10 | H102 | 111.2° | 109.4° |
| C10 | C11 | C12 | 110.3° | 109.5° |
| C10 | C11 | H111 | 111.9° | 109.5° |
| C10 | C11 | H112 | 111.9° | 109.4° |
| H101 | C10 | H102 | 99.1° | 109.5° |
| C12 | C11 | H111 | 111.9° | 109.5° |
| C12 | C11 | H112 | 111.9° | 109.5° |
| C11 | C12 | H121 | 110.3° | 109.4° |
| C11 | C12 | H122 | 111.9° | 109.5° |
| C11 | C12 | H123 | 111.9° | 109.4° |
| H111 | C11 | H112 | 98.5° | 109.5° |
| H121 | C12 | H122 | 111.9° | 109.5° |
| H121 | C12 | H123 | 111.9° | 109.5° |
| H122 | C12 | H123 | 98.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2S | C1 | C2 | H1C1 | 125.3° | 120.0° |
| O2S | C1 | C2 | H1C2 | 125.3° | 119.9° |
| O2S | C1 | H1C1 | H1C2 | 117.9° | 119.9° |
| O2S | C1 | C2 | C3 | 164.2° | 180.0° |
| O2S | C1 | C2 | H2C1 | 70.6° | 60.0° |
| O2S | C1 | C2 | H2C2 | 38.9° | 60.1° |
| H2S | O2S | C1 | C2 | 180.0° | 180.0° |
| H2S | O2S | C1 | H1C1 | 54.7° | 59.9° |
| H2S | O2S | C1 | H1C2 | 54.7° | 60.0° |
| C2 | C1 | H1C1 | H1C2 | 117.8° | 120.0° |
| C1 | C2 | C3 | H2C1 | 125.3° | 120.1° |
| C1 | C2 | C3 | H2C2 | 125.3° | 120.0° |
| C1 | C2 | H2C1 | H2C2 | 117.2° | 120.0° |
| C1 | C2 | C3 | C4 | 85.8° | 180.0° |
| C1 | C2 | C3 | H3C1 | 39.4° | 60.0° |
| C1 | C2 | C3 | H3C2 | 148.9° | 60.1° |
| H1C1 | C1 | C2 | C3 | 38.9° | 60.0° |
| H1C1 | C1 | C2 | H2C1 | 164.2° | 180.0° |
| H1C1 | C1 | C2 | H2C2 | 86.3° | 60.0° |
| H1C2 | C1 | C2 | C3 | 70.5° | 60.1° |
| H1C2 | C1 | C2 | H2C1 | 54.7° | 60.0° |
| H1C2 | C1 | C2 | H2C2 | 164.2° | 180.0° |
| C3 | C2 | H2C1 | H2C2 | 117.1° | 120.0° |
| C2 | C3 | C4 | H3C1 | 125.3° | 120.0° |
| C2 | C3 | C4 | H3C2 | 125.3° | 119.9° |
| C2 | C3 | H3C1 | H3C2 | 116.4° | 120.1° |
| C2 | C3 | C4 | C5 | 78.3° | 180.0° |
| C2 | C3 | C4 | H4C1 | 46.9° | 60.0° |
| C2 | C3 | C4 | H4C2 | 156.4° | 60.0° |
| H2C1 | C2 | C3 | C4 | 148.9° | 59.9° |
| H2C1 | C2 | C3 | H3C1 | 85.8° | 179.9° |
| H2C1 | C2 | C3 | H3C2 | 23.6° | 60.0° |
| H2C2 | C2 | C3 | C4 | 39.4° | 60.0° |
| H2C2 | C2 | C3 | H3C1 | 164.7° | 60.0° |
| H2C2 | C2 | C3 | H3C2 | 85.8° | 179.9° |
| C4 | C3 | H3C1 | H3C2 | 116.4° | 119.9° |
| C3 | C4 | C5 | H4C1 | 125.2° | 120.1° |
| C3 | C4 | C5 | H4C2 | 125.3° | 120.0° |
| C3 | C4 | H4C1 | H4C2 | 116.8° | 120.0° |
| C3 | C4 | C5 | C6 | 128.4° | 180.0° |
| C3 | C4 | C5 | H5C1 | 3.2° | 59.9° |
| C3 | C4 | C5 | H5C2 | 106.3° | 60.0° |
| H3C1 | C3 | C4 | C5 | 156.4° | 60.0° |
| H3C1 | C3 | C4 | H4C1 | 78.3° | 180.0° |
| H3C1 | C3 | C4 | H4C2 | 31.1° | 60.0° |
| H3C2 | C3 | C4 | C5 | 46.9° | 60.1° |
| H3C2 | C3 | C4 | H4C1 | 172.2° | 60.0° |
| H3C2 | C3 | C4 | H4C2 | 78.3° | 180.0° |
| C5 | C4 | H4C1 | H4C2 | 116.8° | 119.9° |
| C4 | C5 | C6 | H5C1 | 125.3° | 120.0° |
| C4 | C5 | C6 | H5C2 | 125.3° | 119.9° |
| C4 | C5 | H5C1 | H5C2 | 117.1° | 119.9° |
| C4 | C5 | C6 | C7 | 164.8° | 180.0° |
| C4 | C5 | C6 | H6C1 | 69.9° | 60.0° |
| C4 | C5 | C6 | H6C2 | 39.6° | 60.1° |
| H4C1 | C4 | C5 | C6 | 106.3° | 59.9° |
| H4C1 | C4 | C5 | H5C1 | 128.4° | 180.0° |
| H4C1 | C4 | C5 | H5C2 | 18.9° | 60.0° |
| H4C2 | C4 | C5 | C6 | 3.1° | 60.0° |
| H4C2 | C4 | C5 | H5C1 | 122.1° | 60.0° |
| H4C2 | C4 | C5 | H5C2 | 128.4° | 180.0° |
| C6 | C5 | H5C1 | H5C2 | 117.0° | 120.0° |
| C5 | C6 | C7 | H6C1 | 125.3° | 120.1° |
| C5 | C6 | C7 | H6C2 | 125.3° | 120.0° |
| C5 | C6 | H6C1 | H6C2 | 117.9° | 120.0° |
| C5 | C6 | C7 | C8 | 124.8° | 180.0° |
| C5 | C6 | C7 | H7C1 | 0.4° | 59.9° |
| C5 | C6 | C7 | H7C2 | 109.9° | 60.0° |
| H5C1 | C5 | C6 | C7 | 39.5° | 60.0° |
| H5C1 | C5 | C6 | H6C1 | 164.8° | 180.0° |
| H5C1 | C5 | C6 | H6C2 | 85.7° | 60.0° |
| H5C2 | C5 | C6 | C7 | 69.9° | 60.1° |
| H5C2 | C5 | C6 | H6C1 | 55.4° | 60.0° |
| H5C2 | C5 | C6 | H6C2 | 164.8° | NaN° |
| C7 | C6 | H6C1 | H6C2 | 117.9° | 120.0° |
| C6 | C7 | C8 | H7C1 | 125.2° | 120.0° |
| C6 | C7 | C8 | H7C2 | 125.3° | 120.0° |
| C6 | C7 | H7C1 | H7C2 | 117.0° | 120.0° |
| C6 | C7 | C8 | C9 | 158.7° | 180.0° |
| C6 | C7 | C8 | H8C1 | 33.5° | 59.9° |
| C6 | C7 | C8 | H8C2 | 76.0° | 60.0° |
| H6C1 | C6 | C7 | C8 | 109.9° | 59.9° |
| H6C1 | C6 | C7 | H7C1 | 124.9° | 180.0° |
| H6C1 | C6 | C7 | H7C2 | 15.4° | 60.0° |
| H6C2 | C6 | C7 | C8 | 0.4° | 60.0° |
| H6C2 | C6 | C7 | H7C1 | 125.7° | 60.0° |
| H6C2 | C6 | C7 | H7C2 | 124.9° | 180.0° |
| C8 | C7 | H7C1 | H7C2 | 117.1° | 120.0° |
| C7 | C8 | C9 | H8C1 | 125.2° | 120.0° |
| C7 | C8 | C9 | H8C2 | 125.3° | 119.9° |
| C7 | C8 | H8C1 | H8C2 | 117.8° | 119.9° |
| C7 | C8 | C9 | C10 | 123.1° | 180.0° |
| C7 | C8 | C9 | H9C1 | 111.6° | 60.0° |
| C7 | C8 | C9 | H9C2 | 2.2° | 60.1° |
| H7C1 | C7 | C8 | C9 | 76.0° | 60.0° |
| H7C1 | C7 | C8 | H8C1 | 158.7° | 180.0° |
| H7C1 | C7 | C8 | H8C2 | 49.2° | 60.0° |
| H7C2 | C7 | C8 | C9 | 33.5° | 60.0° |
| H7C2 | C7 | C8 | H8C1 | 91.8° | 60.0° |
| H7C2 | C7 | C8 | H8C2 | 158.7° | 180.0° |
| C9 | C8 | H8C1 | H8C2 | 117.8° | 120.0° |
| C8 | C9 | C10 | H9C1 | 125.3° | 120.0° |
| C8 | C9 | C10 | H9C2 | 125.3° | 119.9° |
| C8 | C9 | H9C1 | H9C2 | 117.2° | 120.0° |
| C8 | C9 | C10 | C11 | 115.4° | 180.0° |
| C8 | C9 | C10 | H101 | 9.9° | 60.0° |
| C8 | C9 | C10 | H102 | 119.3° | 60.1° |
| H8C1 | C8 | C9 | C10 | 2.1° | 60.0° |
| H8C1 | C8 | C9 | H9C1 | 123.1° | 180.0° |
| H8C1 | C8 | C9 | H9C2 | 127.4° | 60.0° |
| H8C2 | C8 | C9 | C10 | 111.6° | 60.1° |
| H8C2 | C8 | C9 | H9C1 | 13.6° | 60.0° |
| H8C2 | C8 | C9 | H9C2 | 123.1° | 180.0° |
| C10 | C9 | H9C1 | H9C2 | 117.2° | 120.0° |
| C9 | C10 | C11 | H101 | 125.3° | 120.1° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 117.1° | 120.0° |
| C9 | C10 | C11 | C12 | 147.3° | 180.0° |
| C9 | C10 | C11 | H111 | 87.4° | 59.9° |
| C9 | C10 | C11 | H112 | 22.1° | 60.0° |
| H9C1 | C9 | C10 | C11 | 119.3° | 60.0° |
| H9C1 | C9 | C10 | H101 | 115.4° | 180.0° |
| H9C1 | C9 | C10 | H102 | 6.0° | 59.9° |
| H9C2 | C9 | C10 | C11 | 9.8° | 60.1° |
| H9C2 | C9 | C10 | H101 | 135.1° | 59.9° |
| H9C2 | C9 | C10 | H102 | 115.4° | 180.0° |
| C11 | C10 | H101 | H102 | 117.1° | 119.9° |
| C10 | C11 | C12 | H111 | 125.2° | 120.0° |
| C10 | C11 | C12 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H112 | 117.8° | 119.9° |
| C10 | C11 | C12 | H121 | 180.0° | 60.0° |
| C10 | C11 | C12 | H122 | 54.8° | 180.0° |
| C10 | C11 | C12 | H123 | 54.7° | 60.1° |
| H101 | C10 | C11 | C12 | 22.1° | 59.9° |
| H101 | C10 | C11 | H111 | 147.3° | 180.0° |
| H101 | C10 | C11 | H112 | 103.2° | 60.0° |
| H102 | C10 | C11 | C12 | 87.4° | 60.0° |
| H102 | C10 | C11 | H111 | 37.9° | 60.0° |
| H102 | C10 | C11 | H112 | 147.3° | NaN° |
| C12 | C11 | H111 | H112 | 117.8° | 120.0° |
| C11 | C12 | H121 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H123 | 125.3° | 119.9° |
| C11 | C12 | H122 | H123 | 117.8° | 119.9° |
| H111 | C11 | C12 | H121 | 54.7° | 180.0° |
| H111 | C11 | C12 | H122 | 180.0° | 60.0° |
| H111 | C11 | C12 | H123 | 70.5° | 60.0° |
| H112 | C11 | C12 | H121 | 54.7° | 60.0° |
| H112 | C11 | C12 | H122 | 70.5° | 60.0° |
| H112 | C11 | C12 | H123 | NaN° | 180.0° |
| H121 | C12 | H122 | H123 | 117.8° | 120.1° |
