SSH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | sing | 1.34Å | 1.28Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C1 | O1 | doub | 1.21Å | 1.27Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | OT | sing | 1.43Å | 1.12Å | |
| C2 | H2C1 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.58Å | |
| 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 | 1.54Å | |
| 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 | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HB | sing | 0.97Å | 0.95Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| 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) |
| C1 | O2 | H2 | 109.5° | 120.0° |
| O2 | C1 | O1 | 124.3° | 120.0° |
| O2 | C1 | C2 | 122.2° | 120.0° |
| O1 | C1 | C2 | 113.5° | 120.0° |
| C1 | C2 | C3 | 117.3° | 109.5° |
| C1 | C2 | OT | 109.4° | 109.5° |
| C1 | C2 | H2C1 | 103.9° | 109.5° |
| C3 | C2 | OT | 109.4° | 109.5° |
| C3 | C2 | H2C1 | 104.0° | 109.5° |
| C2 | C3 | C4 | 106.4° | 109.5° |
| C2 | C3 | H3C1 | 111.2° | 109.5° |
| C2 | C3 | H3C2 | 110.5° | 109.4° |
| OT | C2 | H2C1 | 112.8° | 109.5° |
| C2 | OT | HT | 109.5° | 106.8° |
| C4 | C3 | H3C1 | 111.2° | 109.5° |
| C4 | C3 | H3C2 | 110.5° | 109.5° |
| C3 | C4 | O4 | 107.3° | 109.5° |
| C3 | C4 | C5 | 111.1° | 109.5° |
| C3 | C4 | H4 | 109.6° | 109.5° |
| H3C1 | C3 | H3C2 | 107.1° | 109.5° |
| O4 | C4 | C5 | 108.6° | 109.5° |
| O4 | C4 | H4 | 112.0° | 109.5° |
| C4 | O4 | HA | 109.5° | 106.8° |
| C5 | C4 | H4 | 108.3° | 109.5° |
| C4 | C5 | O5 | 105.8° | 109.5° |
| C4 | C5 | C6 | 115.1° | 109.5° |
| C4 | C5 | H5 | 106.7° | 109.5° |
| O5 | C5 | C6 | 104.3° | 109.5° |
| O5 | C5 | H5 | 117.1° | 109.5° |
| C5 | O5 | HB | 109.5° | 106.8° |
| C6 | C5 | H5 | 108.1° | 109.5° |
| C5 | C6 | O6 | 105.0° | 109.5° |
| C5 | C6 | H6C1 | 112.0° | 109.5° |
| C5 | C6 | H6C2 | 111.0° | 109.5° |
| O6 | C6 | H6C1 | 112.0° | 109.5° |
| O6 | C6 | H6C2 | 111.0° | 109.4° |
| C6 | O6 | H6 | 109.5° | 106.8° |
| H6C1 | C6 | H6C2 | 106.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O1 | C2 | 178.4° | 179.9° |
| O2 | C1 | C2 | C3 | 9.3° | 65.0° |
| O2 | C1 | C2 | OT | 116.0° | 175.0° |
| O2 | C1 | C2 | H2C1 | 123.3° | 55.0° |
| H2 | O2 | C1 | O1 | 0.0° | 0.0° |
| H2 | O2 | C1 | C2 | 178.2° | 180.0° |
| O1 | C1 | C2 | C3 | 169.1° | 115.0° |
| O1 | C1 | C2 | OT | 65.6° | 5.0° |
| O1 | C1 | C2 | H2C1 | 55.1° | 125.0° |
| C1 | C2 | C3 | OT | 125.3° | 120.0° |
| C1 | C2 | C3 | H2C1 | 114.0° | 120.0° |
| C1 | C2 | OT | H2C1 | 115.1° | 120.0° |
| C1 | C2 | C3 | C4 | 87.0° | 175.0° |
| C1 | C2 | C3 | H3C1 | 34.2° | 55.0° |
| C1 | C2 | C3 | H3C2 | 153.0° | 65.0° |
| C1 | C2 | OT | HT | 153.6° | 60.0° |
| C3 | C2 | OT | H2C1 | 115.2° | 120.0° |
| C2 | C3 | C4 | H3C1 | 121.2° | 120.0° |
| C2 | C3 | C4 | H3C2 | 120.0° | 120.0° |
| C2 | C3 | H3C1 | H3C2 | 120.8° | 120.0° |
| C2 | C3 | C4 | O4 | 1.4° | 65.0° |
| C2 | C3 | C4 | C5 | 117.2° | 175.0° |
| C2 | C3 | C4 | H4 | 123.2° | 55.0° |
| C3 | C2 | OT | HT | 76.7° | 60.0° |
| OT | C2 | C3 | C4 | 147.8° | 65.0° |
| OT | C2 | C3 | H3C1 | 91.0° | 175.0° |
| OT | C2 | C3 | H3C2 | 27.8° | 55.0° |
| H2C1 | C2 | C3 | C4 | 27.1° | 55.0° |
| H2C1 | C2 | C3 | H3C1 | 148.3° | 65.0° |
| H2C1 | C2 | C3 | H3C2 | 92.9° | 175.0° |
| H2C1 | C2 | OT | HT | 38.5° | 180.0° |
| C4 | C3 | H3C1 | H3C2 | 120.9° | 120.0° |
| C3 | C4 | O4 | C5 | 120.2° | 120.0° |
| C3 | C4 | O4 | H4 | 120.3° | 120.0° |
| C3 | C4 | C5 | H4 | 120.4° | 120.0° |
| C3 | C4 | O4 | HA | 94.4° | 60.0° |
| C3 | C4 | C5 | O5 | 50.0° | 60.0° |
| C3 | C4 | C5 | C6 | 164.7° | 180.0° |
| C3 | C4 | C5 | H5 | 75.4° | 60.0° |
| H3C1 | C3 | C4 | O4 | 122.6° | 55.0° |
| H3C1 | C3 | C4 | C5 | 4.0° | 65.0° |
| H3C1 | C3 | C4 | H4 | 115.6° | 175.0° |
| H3C2 | C3 | C4 | O4 | 118.6° | 175.0° |
| H3C2 | C3 | C4 | C5 | 122.8° | 55.0° |
| H3C2 | C3 | C4 | H4 | 3.2° | 65.0° |
| O4 | C4 | C5 | H4 | 121.8° | 120.0° |
| O4 | C4 | C5 | O5 | 167.8° | 180.0° |
| O4 | C4 | C5 | C6 | 77.5° | 60.0° |
| O4 | C4 | C5 | H5 | 42.4° | 60.0° |
| C5 | C4 | O4 | HA | 145.4° | 60.0° |
| C4 | C5 | O5 | C6 | 121.9° | 120.0° |
| C4 | C5 | O5 | H5 | 118.7° | 120.0° |
| C4 | C5 | C6 | H5 | 119.2° | 120.0° |
| C4 | C5 | O5 | HB | 140.5° | 60.0° |
| C4 | C5 | C6 | O6 | 168.6° | 175.0° |
| C4 | C5 | C6 | H6C1 | 69.7° | 65.0° |
| C4 | C5 | C6 | H6C2 | 48.5° | 55.0° |
| H4 | C4 | O4 | HA | 25.9° | 180.0° |
| H4 | C4 | C5 | O5 | 70.4° | 60.0° |
| H4 | C4 | C5 | C6 | 44.3° | 59.9° |
| H4 | C4 | C5 | H5 | 164.3° | 180.0° |
| O5 | C5 | C6 | H5 | 125.3° | 120.0° |
| O5 | C5 | C6 | O6 | 75.9° | 65.0° |
| O5 | C5 | C6 | H6C1 | 45.8° | 55.0° |
| O5 | C5 | C6 | H6C2 | 164.1° | 175.0° |
| C6 | C5 | O5 | HB | 97.6° | 60.0° |
| C5 | C6 | O6 | H6C1 | 121.7° | 120.1° |
| C5 | C6 | O6 | H6C2 | 120.0° | 120.0° |
| C5 | C6 | H6C1 | H6C2 | 121.2° | 120.0° |
| C5 | C6 | O6 | H6 | 3.9° | 180.0° |
| H5 | C5 | O5 | HB | 21.8° | 180.0° |
| H5 | C5 | C6 | O6 | 49.4° | 54.9° |
| H5 | C5 | C6 | H6C1 | 171.1° | 175.0° |
| H5 | C5 | C6 | H6C2 | 70.6° | 65.0° |
| O6 | C6 | H6C1 | H6C2 | 121.2° | 120.0° |
| H6C1 | C6 | O6 | H6 | 117.8° | 59.9° |
| H6C2 | C6 | O6 | H6 | 123.9° | 60.0° |
