GS1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | S1 | sing | 1.81Å | 1.82Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| S1 | HS1 | sing | 1.34Å | 0.95Å | |
| C2 | O2 | sing | 1.43Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.40Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1 | C1 | C2 | 109.5° | 109.4° |
| S1 | C1 | O5 | 108.0° | 109.4° |
| S1 | C1 | H1 | 110.7° | 109.4° |
| C1 | S1 | HS1 | 109.5° | 100.0° |
| C2 | C1 | O5 | 110.2° | 109.8° |
| C2 | C1 | H1 | 108.6° | 109.4° |
| C1 | C2 | O2 | 109.6° | 109.6° |
| C1 | C2 | C3 | 110.1° | 109.0° |
| C1 | C2 | H2 | 108.9° | 109.5° |
| O5 | C1 | H1 | 109.9° | 109.4° |
| C1 | O5 | C5 | 112.4° | 107.7° |
| O2 | C2 | C3 | 109.3° | 109.7° |
| O2 | C2 | H2 | 109.8° | 109.5° |
| C2 | O2 | HO2 | 109.6° | 106.8° |
| C3 | C2 | H2 | 109.2° | 109.4° |
| C2 | C3 | O3 | 109.6° | 109.7° |
| C2 | C3 | C4 | 111.5° | 108.6° |
| C2 | C3 | H3 | 108.0° | 109.6° |
| O3 | C3 | C4 | 109.4° | 109.8° |
| O3 | C3 | H3 | 110.1° | 109.5° |
| C3 | O3 | HO3 | 109.6° | 106.9° |
| C4 | C3 | H3 | 108.2° | 109.6° |
| C3 | C4 | O4 | 109.1° | 109.6° |
| C3 | C4 | C5 | 110.5° | 109.0° |
| C3 | C4 | H4 | 109.1° | 109.5° |
| O4 | C4 | C5 | 109.8° | 109.6° |
| O4 | C4 | H4 | 109.9° | 109.5° |
| C4 | O4 | HO4 | 109.1° | 106.9° |
| C5 | C4 | H4 | 108.4° | 109.6° |
| C4 | C5 | O5 | 110.3° | 109.8° |
| C4 | C5 | C6 | 112.8° | 109.4° |
| C4 | C5 | H5 | 105.8° | 109.4° |
| O5 | C5 | C6 | 106.9° | 109.5° |
| O5 | C5 | H5 | 111.9° | 109.4° |
| C6 | C5 | H5 | 109.3° | 109.4° |
| C5 | C6 | O6 | 110.9° | 109.5° |
| C5 | C6 | H61 | 111.7° | 109.4° |
| C5 | C6 | H62 | 111.7° | 109.5° |
| O6 | C6 | H61 | 111.6° | 109.5° |
| O6 | C6 | H62 | 111.6° | 109.5° |
| C6 | O6 | HO6 | 110.9° | 106.8° |
| H61 | C6 | H62 | 98.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C1 | C2 | O5 | 118.6° | 120.1° |
| S1 | C1 | C2 | H1 | 120.9° | 119.8° |
| S1 | C1 | O5 | H1 | 120.9° | 119.8° |
| S1 | C1 | C2 | O2 | 64.6° | 58.6° |
| S1 | C1 | C2 | C3 | 175.2° | 178.7° |
| S1 | C1 | C2 | H2 | 55.5° | 61.5° |
| S1 | C1 | O5 | C5 | 177.4° | 172.4° |
| C2 | C1 | O5 | H1 | 119.6° | 120.1° |
| C2 | C1 | S1 | HS1 | 180.0° | 179.7° |
| C1 | C2 | O2 | C3 | 120.8° | 119.7° |
| C1 | C2 | O2 | H2 | 119.5° | 120.2° |
| C1 | C2 | C3 | H2 | 119.5° | 119.8° |
| C1 | C2 | O2 | HO2 | 180.0° | 59.9° |
| C1 | C2 | C3 | O3 | 172.4° | 173.7° |
| C1 | C2 | C3 | C4 | 51.1° | 53.6° |
| C1 | C2 | C3 | H3 | 67.6° | 66.1° |
| C2 | C1 | O5 | C5 | 63.1° | 67.5° |
| O5 | C1 | S1 | HS1 | 60.0° | 60.0° |
| O5 | C1 | C2 | O2 | 176.8° | 178.8° |
| O5 | C1 | C2 | C3 | 56.5° | 61.1° |
| O5 | C1 | C2 | H2 | 63.1° | 58.6° |
| C1 | O5 | C5 | C4 | 62.0° | 67.6° |
| C1 | O5 | C5 | C6 | 175.0° | 172.3° |
| C1 | O5 | C5 | H5 | 55.5° | 52.5° |
| H1 | C1 | S1 | HS1 | 60.4° | 59.9° |
| H1 | C1 | C2 | O2 | 56.3° | 61.2° |
| H1 | C1 | C2 | C3 | 63.9° | 58.9° |
| H1 | C1 | C2 | H2 | 176.4° | 178.7° |
| H1 | C1 | O5 | C5 | 56.5° | 52.6° |
| O2 | C2 | C3 | H2 | 120.1° | 120.2° |
| O2 | C2 | C3 | O3 | 67.1° | 66.3° |
| O2 | C2 | C3 | C4 | 171.6° | 173.7° |
| O2 | C2 | C3 | H3 | 52.9° | 54.0° |
| C3 | C2 | O2 | HO2 | 59.2° | 179.7° |
| C2 | C3 | O3 | C4 | 122.5° | 119.3° |
| C2 | C3 | O3 | H3 | 118.7° | 120.3° |
| C2 | C3 | C4 | H3 | 118.6° | 119.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 59.9° |
| C2 | C3 | C4 | O4 | 171.2° | 173.6° |
| C2 | C3 | C4 | C5 | 50.4° | 53.7° |
| C2 | C3 | C4 | H4 | 68.8° | 66.2° |
| H2 | C2 | O2 | HO2 | 60.5° | 60.2° |
| H2 | C2 | C3 | O3 | 53.0° | 53.9° |
| H2 | C2 | C3 | C4 | 68.3° | 66.1° |
| H2 | C2 | C3 | H3 | 172.9° | 174.1° |
| O3 | C3 | C4 | H3 | 120.0° | 120.4° |
| O3 | C3 | C4 | O4 | 67.5° | 66.4° |
| O3 | C3 | C4 | C5 | 171.7° | 173.7° |
| O3 | C3 | C4 | H4 | 52.6° | 53.7° |
| C4 | C3 | O3 | HO3 | 57.5° | 179.2° |
| C3 | C4 | O4 | C5 | 121.3° | 119.6° |
| C3 | C4 | O4 | H4 | 119.6° | 120.1° |
| C3 | C4 | C5 | H4 | 119.6° | 119.9° |
| C3 | C4 | O4 | HO4 | 180.0° | 59.9° |
| C3 | C4 | C5 | O5 | 54.5° | 61.3° |
| C3 | C4 | C5 | C6 | 173.9° | 178.6° |
| C3 | C4 | C5 | H5 | 66.7° | 58.8° |
| H3 | C3 | O3 | HO3 | 61.3° | 60.4° |
| H3 | C3 | C4 | O4 | 52.5° | 53.9° |
| H3 | C3 | C4 | C5 | 68.3° | 66.0° |
| H3 | C3 | C4 | H4 | 172.6° | 174.1° |
| O4 | C4 | C5 | H4 | 120.0° | 120.2° |
| O4 | C4 | C5 | O5 | 174.9° | 178.8° |
| O4 | C4 | C5 | C6 | 65.7° | 58.7° |
| O4 | C4 | C5 | H5 | 53.7° | 61.1° |
| C5 | C4 | O4 | HO4 | 58.7° | 179.5° |
| C4 | C5 | O5 | C6 | 122.9° | 120.1° |
| C4 | C5 | O5 | H5 | 117.5° | 120.1° |
| C4 | C5 | C6 | H5 | 117.4° | 119.8° |
| C4 | C5 | C6 | O6 | 67.3° | 179.9° |
| C4 | C5 | C6 | H61 | 58.0° | 60.2° |
| C4 | C5 | C6 | H62 | 167.4° | 59.8° |
| H4 | C4 | O4 | HO4 | 60.4° | 60.2° |
| H4 | C4 | C5 | O5 | 65.1° | 58.6° |
| H4 | C4 | C5 | C6 | 54.3° | 61.6° |
| H4 | C4 | C5 | H5 | 173.7° | 178.6° |
| O5 | C5 | C6 | H5 | 121.2° | 119.8° |
| O5 | C5 | C6 | O6 | 171.3° | 59.8° |
| O5 | C5 | C6 | H61 | 63.4° | 60.2° |
| O5 | C5 | C6 | H62 | 46.1° | 179.9° |
| C5 | C6 | O6 | H61 | 125.3° | 120.0° |
| C5 | C6 | O6 | H62 | 125.3° | 120.1° |
| C5 | C6 | H61 | H62 | 117.6° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| H5 | C5 | C6 | O6 | 50.1° | 60.1° |
| H5 | C5 | C6 | H61 | 175.4° | 180.0° |
| H5 | C5 | C6 | H62 | 75.2° | 60.0° |
| O6 | C6 | H61 | H62 | 117.5° | 120.0° |
| H61 | C6 | O6 | HO6 | 54.7° | 60.1° |
| H62 | C6 | O6 | HO6 | 54.7° | 59.9° |
