RVW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C1 | sing | 1.53Å | 1.53Å | |
| C3 | O1 | sing | 1.43Å | 1.44Å | |
| O2 | C1 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| O1 | C5 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | S1 | sing | 1.81Å | 1.81Å | |
| C2 | O3 | sing | 1.43Å | 1.42Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| O5 | H5 | sing | 0.97Å | 0.95Å | |
| S1 | H1 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C6 | C3 | 111.8° | 109.5° |
| O5 | C6 | H11 | 108.9° | 109.4° |
| O5 | C6 | H12 | 108.9° | 109.5° |
| C6 | O5 | H5 | 109.5° | 114.1° |
| C6 | C3 | C1 | 111.3° | 109.4° |
| C6 | C3 | O1 | 108.2° | 109.5° |
| C3 | C6 | H11 | 108.9° | 109.5° |
| C3 | C6 | H12 | 108.9° | 109.5° |
| C6 | C3 | H8 | 108.6° | 109.5° |
| C1 | C3 | O1 | 110.5° | 109.4° |
| C3 | C1 | O2 | 111.1° | 109.6° |
| C3 | C1 | C2 | 108.2° | 109.1° |
| C3 | C1 | H6 | 108.7° | 109.5° |
| C1 | C3 | H8 | 108.6° | 109.4° |
| C3 | O1 | C5 | 113.2° | 114.1° |
| O1 | C3 | H8 | 109.7° | 109.6° |
| O2 | C1 | C2 | 109.9° | 109.5° |
| O2 | C1 | H6 | 110.3° | 109.5° |
| C1 | O2 | H2 | 109.5° | 114.0° |
| C1 | C2 | O3 | 110.9° | 109.6° |
| C1 | C2 | C4 | 111.6° | 109.0° |
| C2 | C1 | H6 | 108.6° | 109.5° |
| C1 | C2 | H7 | 107.5° | 109.6° |
| O1 | C5 | C4 | 108.4° | 109.4° |
| O1 | C5 | S1 | 110.9° | 109.5° |
| O1 | C5 | H10 | 109.4° | 109.5° |
| C4 | C5 | S1 | 114.6° | 109.5° |
| C5 | C4 | C2 | 111.3° | 109.2° |
| C5 | C4 | O4 | 110.2° | 109.5° |
| C5 | C4 | H9 | 108.4° | 109.5° |
| C4 | C5 | H10 | 108.3° | 109.5° |
| S1 | C5 | H10 | 105.2° | 109.5° |
| C5 | S1 | H1 | 102.0° | 103.0° |
| O3 | C2 | C4 | 110.4° | 109.6° |
| O3 | C2 | H7 | 108.9° | 109.6° |
| C2 | O3 | H3 | 109.5° | 114.0° |
| C2 | C4 | O4 | 108.9° | 109.5° |
| C2 | C4 | H9 | 108.3° | 109.5° |
| C4 | C2 | H7 | 107.5° | 109.5° |
| O4 | C4 | H9 | 109.7° | 109.5° |
| C4 | O4 | H4 | 109.5° | 114.0° |
| H11 | C6 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C6 | C3 | H11 | 120.4° | 120.0° |
| O5 | C6 | C3 | H12 | 120.3° | 120.0° |
| O5 | C6 | C3 | C1 | 178.9° | 175.0° |
| O5 | C6 | C3 | O1 | 59.5° | 65.1° |
| O5 | C6 | H11 | H12 | 118.9° | 119.9° |
| O5 | C6 | C3 | H8 | 59.5° | 55.1° |
| C6 | C3 | C1 | O1 | 120.2° | 120.0° |
| C6 | C3 | C1 | H8 | 119.4° | 120.0° |
| C6 | C3 | O1 | H8 | 118.3° | 120.1° |
| C6 | C3 | C1 | O2 | 62.9° | 62.4° |
| C6 | C3 | C1 | C2 | 176.4° | 177.6° |
| C6 | C3 | O1 | C5 | 174.0° | 178.8° |
| C3 | C6 | H11 | H12 | 118.9° | 120.1° |
| C6 | C3 | C1 | H6 | 58.6° | 57.7° |
| C3 | C6 | O5 | H5 | 180.0° | 180.0° |
| C1 | C3 | O1 | H8 | 119.7° | 120.0° |
| C3 | C1 | O2 | C2 | 119.7° | 119.7° |
| C3 | C1 | O2 | H6 | 120.6° | 120.2° |
| C3 | C1 | C2 | H6 | 117.8° | 119.9° |
| C1 | C3 | O1 | C5 | 64.0° | 61.2° |
| C3 | C1 | C2 | O3 | 175.3° | 176.8° |
| C3 | C1 | C2 | C4 | 51.9° | 56.9° |
| C1 | C3 | C6 | H11 | 58.5° | 65.0° |
| C1 | C3 | C6 | H12 | 60.8° | 55.0° |
| C3 | C1 | C2 | H7 | 65.7° | 62.9° |
| C3 | C1 | O2 | H2 | 180.0° | 179.7° |
| O1 | C3 | C1 | O2 | 176.9° | 177.6° |
| O1 | C3 | C1 | C2 | 56.2° | 57.6° |
| C3 | O1 | C5 | C4 | 62.1° | 61.2° |
| C3 | O1 | C5 | S1 | 64.4° | 58.8° |
| C3 | O1 | C5 | H10 | 180.0° | 178.8° |
| O1 | C3 | C6 | H11 | 179.9° | 54.9° |
| O1 | C3 | C6 | H12 | 60.8° | 174.9° |
| O1 | C3 | C1 | H6 | 61.6° | 62.2° |
| O2 | C1 | C2 | H6 | 120.8° | 120.1° |
| O2 | C1 | C2 | O3 | 63.2° | 63.2° |
| O2 | C1 | C2 | C4 | 173.4° | 176.9° |
| O2 | C1 | C2 | H7 | 55.7° | 57.1° |
| O2 | C1 | C3 | H8 | 56.6° | 57.5° |
| C1 | C2 | C4 | C5 | 53.0° | 57.0° |
| C1 | C2 | O3 | C4 | 124.1° | 119.6° |
| C1 | C2 | O3 | H7 | 118.0° | 120.2° |
| C1 | C2 | C4 | H7 | 117.6° | 119.9° |
| C1 | C2 | C4 | O4 | 174.7° | 176.9° |
| C1 | C2 | C4 | H9 | 66.1° | 63.0° |
| C2 | C1 | C3 | H8 | 64.1° | 62.4° |
| C2 | C1 | O2 | H2 | 60.3° | 60.0° |
| C1 | C2 | O3 | H3 | 180.0° | 180.0° |
| O1 | C5 | C4 | S1 | 124.4° | 120.0° |
| O1 | C5 | C4 | H10 | 118.6° | 119.9° |
| O1 | C5 | S1 | H10 | 118.1° | 120.0° |
| O1 | C5 | C4 | C2 | 55.7° | 57.6° |
| O1 | C5 | C4 | O4 | 176.6° | 177.5° |
| O1 | C5 | C4 | H9 | 63.3° | 62.4° |
| C5 | O1 | C3 | H8 | 55.7° | 58.8° |
| O1 | C5 | S1 | H1 | 180.0° | 60.1° |
| C4 | C5 | S1 | H10 | 118.8° | 120.0° |
| C5 | C4 | C2 | O3 | 176.7° | 176.8° |
| C5 | C4 | C2 | O4 | 121.7° | 119.9° |
| C5 | C4 | C2 | H9 | 119.1° | 120.0° |
| C5 | C4 | O4 | H9 | 119.3° | 120.1° |
| C5 | C4 | C2 | H7 | 64.6° | 62.9° |
| C5 | C4 | O4 | H4 | 180.0° | 60.1° |
| C4 | C5 | S1 | H1 | 56.9° | 180.0° |
| S1 | C5 | C4 | C2 | 68.7° | 62.4° |
| S1 | C5 | C4 | O4 | 52.2° | 57.5° |
| S1 | C5 | C4 | H9 | 172.3° | 177.7° |
| O3 | C2 | C4 | H7 | 118.7° | 120.3° |
| O3 | C2 | C4 | O4 | 61.6° | 63.2° |
| O3 | C2 | C4 | H9 | 57.6° | 56.9° |
| O3 | C2 | C1 | H6 | 57.5° | 56.9° |
| C2 | C4 | O4 | H9 | 118.4° | 120.1° |
| C2 | C4 | C5 | H10 | 174.2° | 177.5° |
| C4 | C2 | C1 | H6 | 65.9° | 62.9° |
| C4 | C2 | O3 | H3 | 55.9° | 60.4° |
| C2 | C4 | O4 | H4 | 57.6° | 179.9° |
| O4 | C4 | C5 | H10 | 64.8° | 62.5° |
| O4 | C4 | C2 | H7 | 57.0° | 57.0° |
| H9 | C4 | C5 | H10 | 55.2° | 57.6° |
| H9 | C4 | C2 | H7 | 176.3° | 177.1° |
| H9 | C4 | O4 | H4 | 60.7° | 60.0° |
| H10 | C5 | S1 | H1 | 61.9° | 60.0° |
| H11 | C6 | C3 | H8 | 60.9° | 175.0° |
| H11 | C6 | O5 | H5 | 59.6° | 60.0° |
| H12 | C6 | C3 | H8 | 179.8° | 64.9° |
| H12 | C6 | O5 | H5 | 59.7° | 60.0° |
| H6 | C1 | C2 | H7 | 176.5° | 177.2° |
| H6 | C1 | C3 | H8 | 178.1° | 177.7° |
| H6 | C1 | O2 | H2 | 59.4° | 60.1° |
| H7 | C2 | O3 | H3 | 62.0° | 59.8° |
