RSH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | doub | 1.21Å | 1.25Å | |
| C1 | O1 | sing | 1.34Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | OT | sing | 1.43Å | 1.11Å | |
| C2 | H2C1 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C3 | H3C1 | sing | 1.09Å | 1.10Å | |
| C3 | H3C2 | sing | 1.09Å | 1.10Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.59Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HA | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HB | sing | 0.97Å | 0.95Å | |
| C6 | O6 | sing | 1.43Å | 1.46Å | |
| C6 | H6C1 | sing | 1.09Å | 1.10Å | |
| C6 | H6C2 | sing | 1.09Å | 1.10Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| OT | HT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | O1 | 121.3° | 120.0° |
| O2 | C1 | C2 | 118.8° | 120.0° |
| O1 | C1 | C2 | 119.8° | 120.0° |
| C1 | O1 | H1 | 109.5° | 120.0° |
| C1 | C2 | C3 | 119.3° | 109.5° |
| C1 | C2 | OT | 108.7° | 109.5° |
| C1 | C2 | H2C1 | 102.8° | 109.5° |
| C3 | C2 | OT | 108.7° | 109.5° |
| C3 | C2 | H2C1 | 102.8° | 109.5° |
| C2 | C3 | C4 | 113.2° | 109.4° |
| C2 | C3 | H3C1 | 107.4° | 109.4° |
| C2 | C3 | H3C2 | 108.3° | 109.5° |
| OT | C2 | H2C1 | 114.7° | 109.4° |
| C2 | OT | HT | 109.5° | 106.8° |
| C4 | C3 | H3C1 | 107.4° | 109.5° |
| C4 | C3 | H3C2 | 108.2° | 109.5° |
| C3 | C4 | O4 | 108.3° | 109.5° |
| C3 | C4 | C5 | 113.2° | 109.4° |
| C3 | C4 | H4 | 109.1° | 109.5° |
| H3C1 | C3 | H3C2 | 112.4° | 109.5° |
| O4 | C4 | C5 | 113.1° | 109.4° |
| O4 | C4 | H4 | 109.2° | 109.5° |
| C4 | O4 | HA | 109.5° | 106.8° |
| C5 | C4 | H4 | 103.8° | 109.4° |
| C4 | C5 | O5 | 115.0° | 109.5° |
| C4 | C5 | C6 | 112.5° | 109.5° |
| C4 | C5 | H5 | 101.5° | 109.5° |
| O5 | C5 | C6 | 102.4° | 109.5° |
| O5 | C5 | H5 | 111.7° | 109.4° |
| C5 | O5 | HB | 109.5° | 106.8° |
| C6 | C5 | H5 | 114.3° | 109.5° |
| C5 | C6 | O6 | 113.2° | 109.5° |
| C5 | C6 | H6C1 | 107.4° | 109.5° |
| C5 | C6 | H6C2 | 108.2° | 109.5° |
| O6 | C6 | H6C1 | 107.4° | 109.4° |
| O6 | C6 | H6C2 | 108.2° | 109.5° |
| C6 | O6 | H6 | 109.5° | 106.8° |
| H6C1 | C6 | H6C2 | 112.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O1 | C2 | 179.4° | 180.0° |
| O2 | C1 | O1 | H1 | 0.0° | 0.0° |
| O2 | C1 | C2 | C3 | 69.1° | 115.0° |
| O2 | C1 | C2 | OT | 56.1° | 5.0° |
| O2 | C1 | C2 | H2C1 | 178.1° | 125.0° |
| O1 | C1 | C2 | C3 | 111.5° | 65.0° |
| O1 | C1 | C2 | OT | 123.2° | 175.0° |
| O1 | C1 | C2 | H2C1 | 1.3° | 55.0° |
| C2 | C1 | O1 | H1 | 179.3° | 180.0° |
| C1 | C2 | C3 | OT | 125.3° | 120.0° |
| C1 | C2 | C3 | H2C1 | 112.8° | 120.0° |
| C1 | C2 | OT | H2C1 | 114.3° | 120.0° |
| C1 | C2 | C3 | C4 | 24.2° | 175.0° |
| C1 | C2 | C3 | H3C1 | 94.2° | 55.0° |
| C1 | C2 | C3 | H3C2 | 144.2° | 65.0° |
| C1 | C2 | OT | HT | 154.1° | 60.0° |
| C3 | C2 | OT | H2C1 | 114.4° | 120.0° |
| C2 | C3 | C4 | H3C1 | 118.4° | 120.0° |
| C2 | C3 | C4 | H3C2 | 120.0° | 120.0° |
| C2 | C3 | H3C1 | H3C2 | 119.0° | 120.0° |
| C2 | C3 | C4 | O4 | 102.8° | 65.0° |
| C2 | C3 | C4 | C5 | 130.9° | 175.0° |
| C2 | C3 | C4 | H4 | 15.9° | 55.0° |
| C3 | C2 | OT | HT | 74.6° | 60.0° |
| OT | C2 | C3 | C4 | 149.4° | 65.0° |
| OT | C2 | C3 | H3C1 | 31.1° | 175.0° |
| OT | C2 | C3 | H3C2 | 90.6° | 55.0° |
| H2C1 | C2 | C3 | C4 | 88.6° | 55.0° |
| H2C1 | C2 | C3 | H3C1 | 153.0° | 65.0° |
| H2C1 | C2 | C3 | H3C2 | 31.4° | 175.0° |
| H2C1 | C2 | OT | HT | 39.8° | 180.0° |
| C4 | C3 | H3C1 | H3C2 | 118.9° | 120.0° |
| C3 | C4 | O4 | C5 | 126.3° | 120.0° |
| C3 | C4 | O4 | H4 | 118.6° | 120.1° |
| C3 | C4 | C5 | H4 | 118.1° | 120.0° |
| C3 | C4 | O4 | HA | 174.2° | 59.9° |
| C3 | C4 | C5 | O5 | 137.5° | 55.0° |
| C3 | C4 | C5 | C6 | 105.8° | 175.0° |
| C3 | C4 | C5 | H5 | 16.7° | 65.0° |
| H3C1 | C3 | C4 | O4 | 138.8° | 175.0° |
| H3C1 | C3 | C4 | C5 | 12.6° | 55.0° |
| H3C1 | C3 | C4 | H4 | 102.5° | 64.9° |
| H3C2 | C3 | C4 | O4 | 17.2° | 54.9° |
| H3C2 | C3 | C4 | C5 | 109.0° | 65.0° |
| H3C2 | C3 | C4 | H4 | 135.9° | 175.0° |
| O4 | C4 | C5 | H4 | 118.2° | 120.0° |
| O4 | C4 | C5 | O5 | 13.8° | 65.0° |
| O4 | C4 | C5 | C6 | 130.5° | 55.0° |
| O4 | C4 | C5 | H5 | 107.0° | 175.0° |
| C5 | C4 | O4 | HA | 47.9° | 60.0° |
| C4 | C5 | O5 | C6 | 122.3° | 120.0° |
| C4 | C5 | O5 | H5 | 115.0° | 120.0° |
| C4 | C5 | C6 | H5 | 115.0° | 120.0° |
| C4 | C5 | O5 | HB | 123.7° | 60.0° |
| C4 | C5 | C6 | O6 | 133.2° | 175.0° |
| C4 | C5 | C6 | H6C1 | 108.4° | 65.0° |
| C4 | C5 | C6 | H6C2 | 13.2° | 55.0° |
| H4 | C4 | O4 | HA | 67.2° | 180.0° |
| H4 | C4 | C5 | O5 | 104.4° | 175.0° |
| H4 | C4 | C5 | C6 | 12.3° | 65.0° |
| H4 | C4 | C5 | H5 | 134.8° | 55.0° |
| O5 | C5 | C6 | H5 | 121.0° | 120.0° |
| O5 | C5 | C6 | O6 | 102.8° | 65.0° |
| O5 | C5 | C6 | H6C1 | 15.6° | 55.0° |
| O5 | C5 | C6 | H6C2 | 137.2° | 175.0° |
| C6 | C5 | O5 | HB | 1.4° | 60.0° |
| C5 | C6 | O6 | H6C1 | 118.4° | 120.0° |
| C5 | C6 | O6 | H6C2 | 120.0° | 120.0° |
| C5 | C6 | H6C1 | H6C2 | 119.0° | 120.0° |
| C5 | C6 | O6 | H6 | 172.6° | 180.0° |
| H5 | C5 | O5 | HB | 121.3° | 180.0° |
| H5 | C5 | C6 | O6 | 18.2° | 55.0° |
| H5 | C5 | C6 | H6C1 | 136.6° | 175.0° |
| H5 | C5 | C6 | H6C2 | 101.8° | 65.0° |
| O6 | C6 | H6C1 | H6C2 | 119.0° | 120.0° |
| H6C1 | C6 | O6 | H6 | 69.0° | 60.0° |
| H6C2 | C6 | O6 | H6 | 52.6° | 60.0° |
