7K3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | C1 | sing | 1.81Å | 1.80Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| C2 | O2 | sing | 1.43Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| O5 | C5 | sing | 1.43Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.41Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C6 | O6 | sing | 1.43Å | 1.45Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| S1 | H12 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1 | C1 | C2 | 113.6° | 109.5° |
| S1 | C1 | O5 | 112.8° | 109.5° |
| S1 | C1 | H1 | 104.8° | 109.5° |
| C1 | S1 | H12 | 102.0° | 103.0° |
| C2 | C1 | O5 | 109.3° | 109.5° |
| C1 | C2 | O2 | 107.4° | 109.5° |
| C1 | C2 | C3 | 110.9° | 109.2° |
| C2 | C1 | H1 | 107.5° | 109.5° |
| C1 | C2 | H2 | 108.7° | 109.6° |
| C1 | O5 | C5 | 114.6° | 114.1° |
| O5 | C1 | H1 | 108.6° | 109.5° |
| O2 | C2 | C3 | 111.9° | 109.5° |
| O2 | C2 | H2 | 109.4° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | O3 | 105.8° | 109.5° |
| C2 | C3 | C4 | 110.4° | 109.0° |
| C3 | C2 | H2 | 108.5° | 109.6° |
| C2 | C3 | H3 | 109.7° | 109.5° |
| O5 | C5 | C6 | 106.6° | 109.5° |
| O5 | C5 | C4 | 112.8° | 109.4° |
| O5 | C5 | H5 | 109.4° | 109.5° |
| C6 | C5 | C4 | 111.5° | 109.5° |
| C5 | C6 | O6 | 111.5° | 109.5° |
| C6 | C5 | H5 | 108.3° | 109.5° |
| C5 | C6 | H61 | 109.0° | 109.5° |
| C5 | C6 | H62 | 109.0° | 109.5° |
| C5 | C4 | C3 | 109.7° | 109.2° |
| C5 | C4 | O4 | 109.9° | 109.5° |
| C4 | C5 | H5 | 108.2° | 109.5° |
| C5 | C4 | H4 | 107.5° | 109.6° |
| O3 | C3 | C4 | 109.7° | 109.6° |
| O3 | C3 | H3 | 111.6° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | O4 | 113.1° | 109.5° |
| C4 | C3 | H3 | 109.7° | 109.6° |
| C3 | C4 | H4 | 107.6° | 109.5° |
| O6 | C6 | H61 | 109.0° | 109.5° |
| O6 | C6 | H62 | 109.0° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.1° |
| O4 | C4 | H4 | 108.8° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.1° |
| H61 | C6 | H62 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C1 | C2 | O5 | 126.9° | 120.0° |
| S1 | C1 | C2 | H1 | 115.4° | 120.0° |
| S1 | C1 | O5 | H1 | 115.7° | 120.0° |
| S1 | C1 | C2 | O2 | 167.9° | 177.8° |
| S1 | C1 | C2 | C3 | 69.5° | 62.4° |
| S1 | C1 | O5 | C5 | 68.9° | 58.8° |
| S1 | C1 | C2 | H2 | 49.7° | 57.6° |
| C2 | C1 | O5 | H1 | 117.0° | 120.0° |
| C1 | C2 | O2 | C3 | 121.9° | 119.6° |
| C1 | C2 | O2 | H2 | 117.8° | 120.2° |
| C1 | C2 | C3 | H2 | 119.3° | 120.0° |
| C2 | C1 | O5 | C5 | 58.5° | 61.2° |
| C1 | C2 | C3 | O3 | 174.2° | 176.8° |
| C1 | C2 | C3 | C4 | 55.6° | 56.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.1° |
| C1 | C2 | C3 | H3 | 65.4° | 63.0° |
| C2 | C1 | S1 | H12 | 180.0° | 179.9° |
| O5 | C1 | C2 | O2 | 65.2° | 62.3° |
| O5 | C1 | C2 | C3 | 57.4° | 57.6° |
| C1 | O5 | C5 | C6 | 179.4° | 178.9° |
| C1 | O5 | C5 | C4 | 56.8° | 61.2° |
| C1 | O5 | C5 | H5 | 63.7° | 58.8° |
| O5 | C1 | C2 | H2 | 176.6° | 177.6° |
| O5 | C1 | S1 | H12 | 54.9° | 60.1° |
| O2 | C2 | C3 | H2 | 120.8° | 120.2° |
| O2 | C2 | C3 | O3 | 54.3° | 57.0° |
| O2 | C2 | C3 | C4 | 64.3° | 62.9° |
| O2 | C2 | C1 | H1 | 52.5° | 57.8° |
| O2 | C2 | C3 | H3 | 174.7° | 177.2° |
| C2 | C3 | C4 | C5 | 51.5° | 57.0° |
| C2 | C3 | O3 | C4 | 119.0° | 119.5° |
| C2 | C3 | O3 | H3 | 119.2° | 120.1° |
| C2 | C3 | C4 | H3 | 120.9° | 119.8° |
| C2 | C3 | C4 | O4 | 174.6° | 176.9° |
| C3 | C2 | C1 | H1 | 175.1° | 177.6° |
| C3 | C2 | O2 | HO2 | 58.1° | 179.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 65.2° | 63.0° |
| O5 | C5 | C6 | C4 | 123.4° | 119.9° |
| O5 | C5 | C6 | H5 | 117.6° | 120.1° |
| O5 | C5 | C4 | H5 | 121.1° | 120.0° |
| O5 | C5 | C4 | C3 | 51.7° | 57.7° |
| O5 | C5 | C6 | O6 | 64.0° | 65.1° |
| O5 | C5 | C4 | O4 | 176.7° | 177.6° |
| C5 | O5 | C1 | H1 | 175.5° | 178.8° |
| O5 | C5 | C6 | H61 | 56.3° | 174.9° |
| O5 | C5 | C6 | H62 | 175.7° | 54.9° |
| O5 | C5 | C4 | H4 | 65.0° | 62.3° |
| C6 | C5 | C4 | H5 | 119.0° | 120.0° |
| C6 | C5 | C4 | C3 | 171.5° | 177.6° |
| C5 | C6 | O6 | H61 | 120.3° | 120.1° |
| C5 | C6 | O6 | H62 | 120.3° | 120.0° |
| C6 | C5 | C4 | O4 | 63.5° | 62.5° |
| C5 | C6 | H61 | H62 | 119.1° | 120.1° |
| C6 | C5 | C4 | H4 | 54.8° | 57.6° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C5 | C4 | C3 | O3 | 167.7° | 176.8° |
| C5 | C4 | C3 | O4 | 123.1° | 119.9° |
| C5 | C4 | C3 | H4 | 116.7° | 120.0° |
| C4 | C5 | C6 | O6 | 59.4° | 175.0° |
| C5 | C4 | O4 | H4 | 117.5° | 120.2° |
| C4 | C5 | C6 | H61 | 179.7° | 55.0° |
| C4 | C5 | C6 | H62 | 60.9° | 65.0° |
| C5 | C4 | C3 | H3 | 69.4° | 62.9° |
| C5 | C4 | O4 | HO4 | 180.0° | 179.9° |
| O3 | C3 | C4 | H3 | 122.9° | 120.3° |
| O3 | C3 | C4 | O4 | 69.2° | 63.2° |
| O3 | C3 | C2 | H2 | 66.5° | 63.2° |
| O3 | C3 | C4 | H4 | 51.0° | 56.9° |
| C3 | C4 | O4 | H4 | 119.5° | 120.1° |
| C3 | C4 | C5 | H5 | 69.5° | 62.4° |
| C4 | C3 | C2 | H2 | 174.9° | 176.9° |
| C4 | C3 | O3 | HO3 | 61.0° | 179.5° |
| C3 | C4 | O4 | HO4 | 56.9° | 60.2° |
| O6 | C6 | C5 | H5 | 178.4° | 55.0° |
| O6 | C6 | H61 | H62 | 119.0° | 119.9° |
| O4 | C4 | C5 | H5 | 55.5° | 57.5° |
| O4 | C4 | C3 | H3 | 53.7° | 57.1° |
| H1 | C1 | C2 | H2 | 65.7° | 62.4° |
| H1 | C1 | S1 | H12 | 63.0° | 59.9° |
| H5 | C5 | C6 | H61 | 61.3° | 65.0° |
| H5 | C5 | C6 | H62 | 58.1° | 175.0° |
| H5 | C5 | C4 | H4 | 173.8° | 177.7° |
| H2 | C2 | O2 | HO2 | 62.2° | 60.1° |
| H2 | C2 | C3 | H3 | 53.9° | 57.0° |
| H61 | C6 | O6 | HO6 | 59.7° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.7° | 59.9° |
| H3 | C3 | O3 | HO3 | 60.8° | 60.1° |
| H3 | C3 | C4 | H4 | 173.9° | 177.1° |
| H4 | C4 | O4 | HO4 | 62.6° | 59.9° |
