4SG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | S4 | sing | 1.81Å | 1.82Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| S4 | HS4 | sing | 1.34Å | 1.30Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 109.9° | 109.5° |
| O1 | C1 | O5 | 112.3° | 109.5° |
| O1 | C1 | H1 | 109.0° | 109.4° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C2 | C1 | O5 | 109.3° | 109.4° |
| C2 | C1 | H1 | 107.4° | 109.5° |
| C1 | C2 | O2 | 109.5° | 109.5° |
| C1 | C2 | C3 | 110.2° | 109.2° |
| C1 | C2 | H2 | 108.7° | 109.5° |
| O5 | C1 | H1 | 108.8° | 109.5° |
| C1 | O5 | C5 | 114.0° | 114.0° |
| O2 | C2 | C3 | 109.5° | 109.5° |
| O2 | C2 | H2 | 110.1° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C2 | H2 | 108.7° | 109.6° |
| C2 | C3 | O3 | 109.4° | 109.5° |
| C2 | C3 | C4 | 112.1° | 109.0° |
| C2 | C3 | H3 | 108.3° | 109.6° |
| O3 | C3 | C4 | 109.2° | 109.5° |
| O3 | C3 | H3 | 109.7° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 108.1° | 109.6° |
| C3 | C4 | C5 | 111.8° | 109.1° |
| C3 | C4 | S4 | 104.8° | 109.5° |
| C3 | C4 | H4 | 113.1° | 109.5° |
| C5 | C4 | S4 | 103.8° | 109.5° |
| C5 | C4 | H4 | 113.2° | 109.6° |
| C4 | C5 | O5 | 111.0° | 109.4° |
| C4 | C5 | C6 | 112.2° | 109.5° |
| C4 | C5 | H5 | 108.4° | 109.5° |
| S4 | C4 | H4 | 109.3° | 109.6° |
| C4 | S4 | HS4 | 102.0° | 103.0° |
| O5 | C5 | C6 | 106.8° | 109.4° |
| O5 | C5 | H5 | 109.7° | 109.5° |
| C6 | C5 | H5 | 108.7° | 109.5° |
| C5 | C6 | O6 | 111.0° | 109.5° |
| C5 | C6 | H61 | 109.1° | 109.5° |
| C5 | C6 | H62 | 109.1° | 109.5° |
| O6 | C6 | H61 | 109.0° | 109.5° |
| O6 | C6 | H62 | 109.1° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 123.7° | 120.0° |
| O1 | C1 | C2 | H1 | 118.5° | 120.0° |
| O1 | C1 | O5 | H1 | 120.7° | 120.0° |
| O1 | C1 | C2 | O2 | 54.9° | 57.6° |
| O1 | C1 | C2 | C3 | 65.6° | 62.3° |
| O1 | C1 | C2 | H2 | 175.3° | 177.7° |
| O1 | C1 | O5 | C5 | 58.4° | 58.8° |
| C2 | C1 | O5 | H1 | 117.0° | 120.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | O2 | C3 | 121.0° | 119.7° |
| C1 | C2 | O2 | H2 | 119.5° | 120.1° |
| C1 | C2 | C3 | H2 | 119.1° | 119.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | O3 | 172.0° | 176.8° |
| C1 | C2 | C3 | C4 | 50.7° | 57.0° |
| C1 | C2 | C3 | H3 | 68.5° | 62.9° |
| C2 | C1 | O5 | C5 | 63.9° | 61.2° |
| O5 | C1 | O1 | HO1 | 58.1° | 60.0° |
| O5 | C1 | C2 | O2 | 178.5° | 177.6° |
| O5 | C1 | C2 | C3 | 58.0° | 57.7° |
| O5 | C1 | C2 | H2 | 61.1° | 62.3° |
| C1 | O5 | C5 | C4 | 59.3° | 61.2° |
| C1 | O5 | C5 | C6 | 178.1° | 178.9° |
| C1 | O5 | C5 | H5 | 60.5° | 58.8° |
| H1 | C1 | O1 | HO1 | 62.5° | 60.0° |
| H1 | C1 | C2 | O2 | 63.6° | 62.5° |
| H1 | C1 | C2 | C3 | 175.9° | 177.7° |
| H1 | C1 | C2 | H2 | 56.8° | 57.7° |
| H1 | C1 | O5 | C5 | 179.1° | 178.8° |
| O2 | C2 | C3 | H2 | 120.4° | 120.2° |
| O2 | C2 | C3 | O3 | 67.5° | 63.3° |
| O2 | C2 | C3 | C4 | 171.2° | 176.9° |
| O2 | C2 | C3 | H3 | 52.0° | 57.0° |
| C3 | C2 | O2 | HO2 | 59.1° | 179.7° |
| C2 | C3 | O3 | C4 | 123.0° | 119.5° |
| C2 | C3 | O3 | H3 | 118.6° | 120.2° |
| C2 | C3 | C4 | H3 | 119.3° | 119.9° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | C5 | 46.3° | 57.0° |
| C2 | C3 | C4 | S4 | 158.1° | 176.9° |
| C2 | C3 | C4 | H4 | 82.9° | 62.9° |
| H2 | C2 | O2 | HO2 | 60.5° | 60.1° |
| H2 | C2 | C3 | O3 | 52.9° | 56.9° |
| H2 | C2 | C3 | C4 | 68.4° | 62.9° |
| H2 | C2 | C3 | H3 | 172.4° | 177.2° |
| O3 | C3 | C4 | H3 | 119.3° | 120.2° |
| O3 | C3 | C4 | C5 | 167.8° | 176.8° |
| O3 | C3 | C4 | S4 | 80.4° | 63.3° |
| O3 | C3 | C4 | H4 | 38.6° | 56.9° |
| C4 | C3 | O3 | HO3 | 57.0° | 179.5° |
| C3 | C4 | C5 | S4 | 112.4° | 119.9° |
| C3 | C4 | C5 | H4 | 129.1° | 119.9° |
| C3 | C4 | S4 | H4 | 121.5° | 120.2° |
| C3 | C4 | S4 | HS4 | 180.0° | 60.0° |
| C3 | C4 | C5 | O5 | 48.8° | 57.7° |
| C3 | C4 | C5 | C6 | 168.2° | 177.6° |
| C3 | C4 | C5 | H5 | 71.8° | 62.4° |
| H3 | C3 | O3 | HO3 | 61.4° | 60.2° |
| H3 | C3 | C4 | C5 | 72.9° | 62.9° |
| H3 | C3 | C4 | S4 | 38.9° | 57.0° |
| H3 | C3 | C4 | H4 | 157.9° | 177.1° |
| C5 | C4 | S4 | H4 | 121.1° | 120.2° |
| C5 | C4 | S4 | HS4 | 62.6° | 179.7° |
| C4 | C5 | O5 | C6 | 122.6° | 119.9° |
| C4 | C5 | O5 | H5 | 119.8° | 120.0° |
| C4 | C5 | C6 | H5 | 119.9° | 120.1° |
| C4 | C5 | C6 | O6 | 52.0° | 175.0° |
| C4 | C5 | C6 | H61 | 68.2° | 55.0° |
| C4 | C5 | C6 | H62 | 172.2° | 65.0° |
| S4 | C4 | C5 | O5 | 161.2° | 177.5° |
| S4 | C4 | C5 | C6 | 79.3° | 62.6° |
| S4 | C4 | C5 | H5 | 40.7° | 57.5° |
| H4 | C4 | S4 | HS4 | 58.5° | 60.1° |
| H4 | C4 | C5 | O5 | 80.4° | 62.2° |
| H4 | C4 | C5 | C6 | 39.1° | 57.7° |
| H4 | C4 | C5 | H5 | 159.1° | 177.7° |
| O5 | C5 | C6 | H5 | 118.3° | 120.0° |
| O5 | C5 | C6 | O6 | 173.8° | 65.1° |
| O5 | C5 | C6 | H61 | 53.6° | 174.9° |
| O5 | C5 | C6 | H62 | 65.9° | 55.0° |
| C5 | C6 | O6 | H61 | 120.2° | 120.0° |
| C5 | C6 | O6 | H62 | 120.2° | 120.0° |
| C5 | C6 | H61 | H62 | 119.3° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| H5 | C5 | C6 | O6 | 67.9° | 55.0° |
| H5 | C5 | C6 | H61 | 171.9° | 65.1° |
| H5 | C5 | C6 | H62 | 52.3° | 175.0° |
| O6 | C6 | H61 | H62 | 119.3° | 120.0° |
| H61 | C6 | O6 | HO6 | 59.8° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.8° | 60.0° |
