WEB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O6 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| O6 | C6 | sing | 1.43Å | 1.44Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| O1 | H3 | sing | 0.97Å | 0.95Å | |
| O2 | H4 | sing | 0.97Å | 0.95Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| O5 | H10 | sing | 0.97Å | 0.95Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 112.4° | 109.4° |
| O1 | C1 | H1 | 108.7° | 109.5° |
| O1 | C1 | H2 | 108.8° | 109.4° |
| C1 | O1 | H3 | 109.5° | 114.0° |
| C1 | C2 | O2 | 104.8° | 109.5° |
| C1 | C2 | C3 | 111.6° | 109.4° |
| C1 | C2 | O6 | 109.7° | 109.5° |
| C2 | C1 | H1 | 108.7° | 109.5° |
| C2 | C1 | H2 | 108.7° | 109.5° |
| O3 | C3 | C2 | 111.2° | 109.5° |
| O3 | C3 | C4 | 109.2° | 109.5° |
| O3 | C3 | H5 | 108.6° | 109.7° |
| C3 | O3 | H6 | 109.5° | 114.0° |
| O2 | C2 | C3 | 108.4° | 109.5° |
| O2 | C2 | O6 | 111.3° | 109.5° |
| C2 | O2 | H4 | 109.5° | 114.0° |
| C3 | C2 | O6 | 110.9° | 109.5° |
| C2 | C3 | C4 | 113.0° | 109.1° |
| C2 | C3 | H5 | 107.3° | 109.5° |
| C2 | O6 | C6 | 113.7° | 114.1° |
| C3 | C4 | O4 | 111.9° | 109.6° |
| C3 | C4 | C5 | 109.8° | 109.1° |
| C4 | C3 | H5 | 107.3° | 109.5° |
| C3 | C4 | H7 | 108.1° | 109.5° |
| O6 | C6 | C5 | 110.9° | 109.4° |
| O6 | C6 | H11 | 109.1° | 109.5° |
| O6 | C6 | H12 | 109.1° | 109.5° |
| O4 | C4 | C5 | 109.5° | 109.5° |
| O4 | C4 | H7 | 109.4° | 109.6° |
| C4 | O4 | H8 | 109.5° | 114.0° |
| C4 | C5 | C6 | 111.1° | 109.2° |
| C4 | C5 | O5 | 108.2° | 109.6° |
| C5 | C4 | H7 | 108.2° | 109.5° |
| C4 | C5 | H9 | 108.6° | 109.5° |
| C6 | C5 | O5 | 110.9° | 109.5° |
| C6 | C5 | H9 | 108.3° | 109.5° |
| C5 | C6 | H11 | 109.1° | 109.4° |
| C5 | C6 | H12 | 109.1° | 109.5° |
| O5 | C5 | H9 | 109.7° | 109.5° |
| C5 | O5 | H10 | 109.5° | 114.1° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H11 | C6 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H1 | 120.4° | 120.0° |
| O1 | C1 | C2 | H2 | 120.5° | 119.9° |
| O1 | C1 | C2 | O2 | 173.0° | 60.0° |
| O1 | C1 | C2 | C3 | 56.0° | 180.0° |
| O1 | C1 | C2 | O6 | 67.4° | 60.0° |
| O1 | C1 | H1 | H2 | 118.7° | 119.9° |
| C1 | C2 | C3 | O3 | 61.4° | 62.5° |
| C1 | C2 | O2 | C3 | 119.2° | 119.9° |
| C1 | C2 | O2 | O6 | 118.5° | 120.0° |
| C1 | C2 | C3 | O6 | 122.6° | 120.0° |
| C1 | C2 | C3 | C4 | 175.3° | 177.6° |
| C1 | C2 | O6 | C6 | 179.8° | 178.9° |
| C2 | C1 | H1 | H2 | 118.6° | 120.1° |
| C2 | C1 | O1 | H3 | 180.0° | 180.0° |
| C1 | C2 | O2 | H4 | 180.0° | 60.0° |
| C1 | C2 | C3 | H5 | 57.2° | 57.8° |
| O3 | C3 | C2 | O2 | 53.5° | 57.4° |
| O3 | C3 | C2 | C4 | 123.3° | 119.9° |
| O3 | C3 | C2 | H5 | 118.6° | 120.3° |
| O3 | C3 | C2 | O6 | 176.0° | 177.5° |
| O3 | C3 | C4 | H5 | 117.6° | 120.3° |
| O3 | C3 | C4 | O4 | 53.7° | 57.0° |
| O3 | C3 | C4 | C5 | 175.5° | 176.9° |
| O3 | C3 | C4 | H7 | 66.8° | 63.3° |
| O2 | C2 | C3 | O6 | 122.5° | 120.1° |
| O2 | C2 | C3 | C4 | 69.8° | 62.4° |
| O2 | C2 | O6 | C6 | 64.3° | 58.9° |
| O2 | C2 | C1 | H1 | 66.5° | 60.0° |
| O2 | C2 | C1 | H2 | 52.6° | 179.9° |
| O2 | C2 | C3 | H5 | 172.1° | 177.8° |
| C2 | C3 | C4 | H5 | 118.1° | 119.9° |
| C3 | C2 | O6 | C6 | 56.5° | 61.2° |
| C2 | C3 | C4 | O4 | 70.6° | 62.9° |
| C2 | C3 | C4 | C5 | 51.1° | 57.0° |
| C3 | C2 | C1 | H1 | 176.4° | 60.0° |
| C3 | C2 | C1 | H2 | 64.5° | 60.1° |
| C3 | C2 | O2 | H4 | 60.8° | 179.9° |
| C2 | C3 | O3 | H6 | 180.0° | 180.0° |
| C2 | C3 | C4 | H7 | 168.9° | 176.8° |
| O6 | C2 | C3 | C4 | 52.7° | 57.7° |
| C2 | O6 | C6 | C5 | 58.4° | 61.1° |
| O6 | C2 | C1 | H1 | 53.1° | 180.0° |
| O6 | C2 | C1 | H2 | 172.1° | 59.9° |
| O6 | C2 | O2 | H4 | 61.5° | 60.0° |
| O6 | C2 | C3 | H5 | 65.4° | 62.2° |
| C2 | O6 | C6 | H11 | 178.6° | 58.8° |
| C2 | O6 | C6 | H12 | 61.8° | 178.8° |
| C3 | C4 | O4 | C5 | 121.9° | 119.6° |
| C3 | C4 | O4 | H7 | 119.7° | 120.2° |
| C3 | C4 | C5 | H7 | 117.7° | 119.8° |
| C3 | C4 | C5 | C6 | 51.9° | 56.9° |
| C3 | C4 | C5 | O5 | 173.9° | 176.9° |
| C4 | C3 | O3 | H6 | 54.6° | 60.3° |
| C3 | C4 | O4 | H8 | 180.0° | 180.0° |
| C3 | C4 | C5 | H9 | 67.1° | 63.0° |
| O6 | C6 | C5 | C4 | 55.8° | 57.6° |
| O6 | C6 | C5 | H11 | 120.2° | 120.0° |
| O6 | C6 | C5 | H12 | 120.2° | 120.1° |
| O6 | C6 | C5 | O5 | 176.2° | 177.5° |
| O6 | C6 | C5 | H9 | 63.4° | 62.4° |
| O6 | C6 | H11 | H12 | 119.3° | 120.1° |
| O4 | C4 | C5 | H7 | 119.1° | 120.3° |
| O4 | C4 | C5 | C6 | 71.2° | 62.9° |
| O4 | C4 | C5 | O5 | 50.8° | 57.0° |
| O4 | C4 | C3 | H5 | 171.3° | 177.2° |
| O4 | C4 | C5 | H9 | 169.8° | 177.1° |
| C4 | C5 | C6 | O5 | 120.4° | 120.0° |
| C4 | C5 | C6 | H9 | 119.2° | 119.9° |
| C4 | C5 | O5 | H9 | 118.3° | 120.1° |
| C5 | C4 | C3 | H5 | 67.0° | 62.9° |
| C5 | C4 | O4 | H8 | 58.1° | 60.4° |
| C4 | C5 | O5 | H10 | 180.0° | 180.0° |
| C4 | C5 | C6 | H11 | 176.0° | 62.4° |
| C4 | C5 | C6 | H12 | 64.5° | 177.6° |
| C6 | C5 | O5 | H9 | 119.6° | 120.1° |
| C6 | C5 | C4 | H7 | 169.7° | 176.8° |
| C6 | C5 | O5 | H10 | 57.9° | 60.3° |
| C5 | C6 | H11 | H12 | 119.4° | 120.0° |
| O5 | C5 | C4 | H7 | 68.4° | 63.3° |
| O5 | C5 | C6 | H11 | 63.6° | 57.5° |
| O5 | C5 | C6 | H12 | 55.9° | 62.4° |
| H1 | C1 | O1 | H3 | 59.6° | 60.0° |
| H2 | C1 | O1 | H3 | 59.5° | 60.0° |
| H5 | C3 | O3 | H6 | 62.2° | 59.8° |
| H5 | C3 | C4 | H7 | 50.8° | 57.0° |
| H7 | C4 | O4 | H8 | 60.2° | 59.8° |
| H7 | C4 | C5 | H9 | 50.7° | 56.9° |
| H9 | C5 | O5 | H10 | 61.7° | 59.8° |
| H9 | C5 | C6 | H11 | 56.8° | 177.7° |
| H9 | C5 | C6 | H12 | 176.4° | 57.7° |
