S2G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.34Å | 1.26Å | |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | O5 | sing | 1.34Å | 1.25Å | |
| C5 | O4 | doub | 1.21Å | 1.25Å | |
| O3 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| O5 | H5 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | O1 | 126.0° | 120.0° |
| O2 | C1 | C2 | 116.8° | 120.0° |
| C1 | O2 | HO2 | 109.5° | 117.0° |
| O1 | C1 | C2 | 117.2° | 120.0° |
| C1 | C2 | C3 | 109.0° | 109.5° |
| C1 | C2 | O3 | 109.0° | 109.5° |
| C1 | C2 | H2 | 110.1° | 109.5° |
| C4 | C3 | C2 | 110.7° | 109.5° |
| C3 | C4 | C5 | 110.8° | 109.5° |
| C4 | C3 | H3 | 109.1° | 109.5° |
| C4 | C3 | H3A | 109.1° | 109.5° |
| C3 | C4 | H4 | 109.1° | 109.5° |
| C3 | C4 | H4A | 109.1° | 109.4° |
| C3 | C2 | O3 | 109.3° | 109.4° |
| C3 | C2 | H2 | 109.7° | 109.5° |
| C2 | C3 | H3 | 109.1° | 109.4° |
| C2 | C3 | H3A | 109.1° | 109.5° |
| C4 | C5 | O5 | 116.7° | 120.0° |
| C4 | C5 | O4 | 117.1° | 120.0° |
| C5 | C4 | H4 | 109.0° | 109.5° |
| C5 | C4 | H4A | 109.1° | 109.5° |
| O5 | C5 | O4 | 126.2° | 120.0° |
| C5 | O5 | H5 | 109.5° | 117.0° |
| O3 | C2 | H2 | 109.7° | 109.4° |
| C2 | O3 | HO3 | 109.5° | 114.0° |
| H3 | C3 | H3A | 109.8° | 109.5° |
| H4 | C4 | H4A | 109.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O1 | C2 | 179.7° | 179.7° |
| O2 | C1 | C2 | C3 | 174.2° | 65.0° |
| O2 | C1 | C2 | O3 | 66.6° | 175.0° |
| O2 | C1 | C2 | H2 | 53.8° | 55.0° |
| O1 | C1 | C2 | C3 | 6.1° | 114.7° |
| O1 | C1 | C2 | O3 | 113.1° | 5.3° |
| O1 | C1 | C2 | H2 | 126.5° | 125.3° |
| O1 | C1 | O2 | HO2 | 0.0° | 0.0° |
| C1 | C2 | C3 | C4 | 174.4° | 175.0° |
| C1 | C2 | C3 | O3 | 119.0° | 120.0° |
| C1 | C2 | C3 | H2 | 120.6° | 120.1° |
| C1 | C2 | O3 | H2 | 120.6° | 120.0° |
| C1 | C2 | C3 | H3 | 54.4° | 55.0° |
| C1 | C2 | C3 | H3A | 65.6° | 65.0° |
| C1 | C2 | O3 | HO3 | 180.0° | 60.1° |
| C2 | C1 | O2 | HO2 | 179.8° | 179.7° |
| C4 | C3 | C2 | H3 | 120.0° | 120.0° |
| C4 | C3 | C2 | H3A | 120.0° | 120.1° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | C5 | O5 | 152.0° | 180.0° |
| C3 | C4 | C5 | O4 | 28.2° | 0.0° |
| C4 | C3 | C2 | O3 | 66.6° | 65.0° |
| C4 | C3 | C2 | H2 | 53.8° | 54.9° |
| C4 | C3 | H3 | H3A | 119.5° | 120.0° |
| C3 | C4 | H4 | H4A | 119.5° | 119.9° |
| C2 | C3 | C4 | C5 | 177.3° | 179.9° |
| C3 | C2 | O3 | H2 | 120.4° | 120.0° |
| C2 | C3 | H3 | H3A | 119.5° | 120.0° |
| C2 | C3 | C4 | H4 | 62.7° | 59.9° |
| C2 | C3 | C4 | H4A | 57.2° | 60.0° |
| C3 | C2 | O3 | HO3 | 61.0° | 59.9° |
| C4 | C5 | O5 | O4 | 179.8° | 180.0° |
| C5 | C4 | C3 | H3 | 62.7° | 60.0° |
| C5 | C4 | C3 | H3A | 57.3° | 60.0° |
| C5 | C4 | H4 | H4A | 119.5° | 120.0° |
| C4 | C5 | O5 | H5 | 179.8° | 180.0° |
| O5 | C5 | C4 | H4 | 31.9° | 60.0° |
| O5 | C5 | C4 | H4A | 88.0° | 60.0° |
| O4 | C5 | C4 | H4 | 148.2° | 120.0° |
| O4 | C5 | C4 | H4A | 91.8° | 120.0° |
| O4 | C5 | O5 | H5 | 0.0° | 0.0° |
| O3 | C2 | C3 | H3 | 173.4° | 175.0° |
| O3 | C2 | C3 | H3A | 53.4° | 55.0° |
| H2 | C2 | C3 | H3 | 66.2° | 65.0° |
| H2 | C2 | C3 | H3A | 173.8° | 175.0° |
| H2 | C2 | O3 | HO3 | 59.4° | 179.9° |
| H3 | C3 | C4 | H4 | 57.3° | 60.0° |
| H3 | C3 | C4 | H4A | 177.3° | 179.9° |
| H3A | C3 | C4 | H4 | 177.3° | 180.0° |
| H3A | C3 | C4 | H4A | 62.8° | 60.1° |
