RVG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.58Å | |
| C4 | C5 | sing | 1.53Å | 1.68Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | O5 | sing | 1.43Å | 1.49Å | |
| O5 | C1 | sing | 1.43Å | 1.57Å | |
| C3 | O3 | sing | 1.43Å | 1.46Å | |
| C3 | C2 | sing | 1.53Å | 1.73Å | |
| O3 | C3O | sing | 1.43Å | 1.67Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.61Å | |
| O2 | C2O | sing | 1.43Å | 1.63Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3O | H22 | sing | 1.09Å | 1.10Å | |
| C3O | H23 | sing | 1.09Å | 1.10Å | |
| C3O | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2O | H26 | sing | 1.09Å | 1.10Å | |
| C2O | H27 | sing | 1.09Å | 1.10Å | |
| C2O | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C3 | 90.7° | 109.5° |
| O4 | C4 | C5 | 123.9° | 109.5° |
| O4 | C4 | H4 | 109.5° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C3 | C4 | C5 | 115.3° | 109.2° |
| C4 | C3 | O3 | 111.7° | 109.6° |
| C4 | C3 | C2 | 107.4° | 109.0° |
| C3 | C4 | H4 | 108.6° | 109.6° |
| C4 | C3 | H3 | 108.0° | 109.6° |
| C4 | C5 | C6 | 101.2° | 109.5° |
| C4 | C5 | O5 | 95.4° | 109.4° |
| C5 | C4 | H4 | 107.5° | 109.6° |
| C4 | C5 | H5 | 112.1° | 109.5° |
| C6 | C5 | O5 | 116.7° | 109.5° |
| C6 | C5 | H5 | 113.8° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.4° |
| C5 | C6 | H62 | 109.4° | 109.5° |
| C5 | C6 | H63 | 109.5° | 109.5° |
| C5 | O5 | C1 | 113.6° | 114.1° |
| O5 | C5 | H5 | 115.0° | 109.4° |
| O5 | C1 | C2 | 97.8° | 109.4° |
| O5 | C1 | H1 | 120.5° | 109.5° |
| O5 | C1 | O1 | 97.4° | 109.5° |
| O3 | C3 | C2 | 113.4° | 109.5° |
| C3 | O3 | C3O | 118.5° | 114.0° |
| O3 | C3 | H3 | 109.6° | 109.5° |
| C3 | C2 | O2 | 104.1° | 109.5° |
| C3 | C2 | C1 | 105.6° | 109.2° |
| C2 | C3 | H3 | 106.4° | 109.6° |
| C3 | C2 | H2 | 108.7° | 109.5° |
| O3 | C3O | H22 | 109.5° | 109.5° |
| O3 | C3O | H23 | 109.5° | 109.5° |
| O3 | C3O | H24 | 109.4° | 109.5° |
| O2 | C2 | C1 | 115.2° | 109.5° |
| C2 | O2 | C2O | 118.7° | 114.0° |
| O2 | C2 | H2 | 112.6° | 109.5° |
| C1 | C2 | H2 | 110.1° | 109.6° |
| C2 | C1 | H1 | 119.7° | 109.5° |
| C2 | C1 | O1 | 90.2° | 109.5° |
| O2 | C2O | H26 | 109.5° | 109.5° |
| O2 | C2O | H27 | 109.4° | 109.5° |
| O2 | C2O | H28 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H61 | C6 | H63 | 109.5° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.5° |
| H22 | C3O | H23 | 109.4° | 109.4° |
| H22 | C3O | H24 | 109.5° | 109.5° |
| H23 | C3O | H24 | 109.5° | 109.5° |
| H26 | C2O | H27 | 109.5° | 109.4° |
| H26 | C2O | H28 | 109.4° | 109.4° |
| H27 | C2O | H28 | 109.5° | 109.5° |
| H1 | C1 | O1 | 124.3° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C3 | C5 | 128.5° | 119.9° |
| O4 | C4 | C3 | H4 | 110.9° | 120.1° |
| O4 | C4 | C5 | H4 | 129.4° | 120.1° |
| O4 | C4 | C5 | C6 | 73.0° | 62.5° |
| O4 | C4 | C5 | O5 | 168.4° | 177.5° |
| O4 | C4 | C3 | O3 | 52.6° | 63.3° |
| O4 | C4 | C3 | C2 | 177.5° | 176.9° |
| O4 | C4 | C5 | H5 | 48.6° | 57.5° |
| O4 | C4 | C3 | H3 | 68.0° | 56.9° |
| C3 | C4 | C5 | H4 | 121.2° | 120.0° |
| C3 | C4 | C5 | C6 | 177.5° | 177.6° |
| C3 | C4 | C5 | O5 | 58.9° | 57.6° |
| C4 | C3 | O3 | C2 | 121.5° | 119.6° |
| C4 | C3 | O3 | H3 | 119.7° | 120.2° |
| C4 | C3 | C2 | H3 | 115.5° | 120.0° |
| C4 | C3 | O3 | C3O | 125.0° | 90.0° |
| C4 | C3 | C2 | O2 | 178.5° | 176.9° |
| C4 | C3 | C2 | C1 | 56.8° | 57.0° |
| C3 | C4 | C5 | H5 | 60.9° | 62.3° |
| C4 | C3 | C2 | H2 | 61.3° | 63.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C4 | C5 | C6 | O5 | 101.9° | 120.0° |
| C4 | C5 | C6 | H5 | 120.4° | 120.0° |
| C4 | C5 | O5 | H5 | 117.4° | 120.0° |
| C4 | C5 | O5 | C1 | 78.0° | 61.1° |
| C5 | C4 | C3 | O3 | 178.9° | 176.8° |
| C5 | C4 | C3 | C2 | 53.9° | 57.0° |
| C4 | C5 | C6 | H61 | 180.0° | 60.0° |
| C4 | C5 | C6 | H62 | 60.0° | 180.0° |
| C4 | C5 | C6 | H63 | 60.0° | 60.0° |
| C5 | C4 | C3 | H3 | 60.5° | 63.0° |
| C5 | C4 | O4 | HO4 | 58.5° | 60.3° |
| C6 | C5 | O5 | H5 | 137.2° | 120.0° |
| C6 | C5 | O5 | C1 | 176.6° | 178.8° |
| C6 | C5 | C4 | H4 | 56.4° | 57.6° |
| C5 | C6 | H61 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H63 | 120.0° | 120.0° |
| C5 | C6 | H62 | H63 | 120.0° | 120.0° |
| C5 | O5 | C1 | C2 | 88.2° | 61.1° |
| O5 | C5 | C4 | H4 | 62.2° | 62.4° |
| O5 | C5 | C6 | H61 | 78.1° | 60.0° |
| O5 | C5 | C6 | H62 | 161.9° | 60.0° |
| O5 | C5 | C6 | H63 | 41.9° | 180.0° |
| C5 | O5 | C1 | H1 | 43.1° | 58.8° |
| C5 | O5 | C1 | O1 | 179.4° | 178.9° |
| O5 | C1 | C2 | C3 | 65.3° | 57.6° |
| O5 | C1 | C2 | O2 | 179.6° | 177.5° |
| O5 | C1 | C2 | H1 | 131.9° | 120.0° |
| O5 | C1 | C2 | O1 | 97.5° | 120.0° |
| C1 | O5 | C5 | H5 | 39.4° | 58.9° |
| O5 | C1 | C2 | H2 | 51.8° | 62.3° |
| O5 | C1 | H1 | O1 | 125.7° | 120.0° |
| O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
| O3 | C3 | C2 | H3 | 120.6° | 120.2° |
| O3 | C3 | C2 | O2 | 57.6° | 63.2° |
| O3 | C3 | C2 | C1 | 179.3° | 176.9° |
| O3 | C3 | C4 | H4 | 58.3° | 56.8° |
| C3 | O3 | C3O | H22 | 180.0° | 60.0° |
| C3 | O3 | C3O | H23 | 60.0° | 180.0° |
| C3 | O3 | C3O | H24 | 60.0° | 60.0° |
| O3 | C3 | C2 | H2 | 62.6° | 56.9° |
| C2 | C3 | O3 | C3O | 113.5° | 150.4° |
| C3 | C2 | O2 | C1 | 115.1° | 119.7° |
| C3 | C2 | O2 | H2 | 117.6° | 120.1° |
| C3 | C2 | C1 | H2 | 117.2° | 119.9° |
| C3 | C2 | O2 | C2O | 138.3° | 150.0° |
| C2 | C3 | C4 | H4 | 66.7° | 63.0° |
| C3 | C2 | C1 | H1 | 66.5° | 62.4° |
| C3 | C2 | C1 | O1 | 162.9° | 177.6° |
| C3O | O3 | C3 | H3 | 5.3° | 30.2° |
| O3 | C3O | H22 | H23 | 120.0° | 120.0° |
| O3 | C3O | H22 | H24 | 120.0° | 120.0° |
| O3 | C3O | H23 | H24 | 120.0° | 120.0° |
| O2 | C2 | C1 | H2 | 128.6° | 120.2° |
| O2 | C2 | C3 | H3 | 63.0° | 56.9° |
| C2 | O2 | C2O | H26 | 180.0° | 60.0° |
| C2 | O2 | C2O | H27 | 60.0° | 60.0° |
| C2 | O2 | C2O | H28 | 60.0° | 179.9° |
| O2 | C2 | C1 | H1 | 47.7° | 57.6° |
| O2 | C2 | C1 | O1 | 82.9° | 62.5° |
| C1 | C2 | O2 | C2O | 106.6° | 90.3° |
| C1 | C2 | C3 | H3 | 58.7° | 63.0° |
| C2 | C1 | H1 | O1 | 113.2° | 120.1° |
| C2 | C1 | O1 | HO1 | 82.1° | 180.0° |
| C2O | O2 | C2 | H2 | 20.7° | 29.8° |
| O2 | C2O | H26 | H27 | 120.0° | 120.0° |
| O2 | C2O | H26 | H28 | 120.0° | 119.9° |
| O2 | C2O | H27 | H28 | 120.0° | 120.1° |
| H4 | C4 | C5 | H5 | 178.0° | 177.7° |
| H4 | C4 | C3 | H3 | 178.9° | 177.0° |
| H4 | C4 | O4 | HO4 | 70.0° | 59.8° |
| H5 | C5 | C6 | H61 | 59.6° | 179.9° |
| H5 | C5 | C6 | H62 | 60.4° | 60.0° |
| H5 | C5 | C6 | H63 | 179.6° | 60.1° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
| H3 | C3 | C2 | H2 | 176.8° | 177.1° |
| H22 | C3O | H23 | H24 | 120.0° | 120.0° |
| H2 | C2 | C1 | H1 | 176.3° | 177.7° |
| H2 | C2 | C1 | O1 | 45.7° | 57.6° |
| H26 | C2O | H27 | H28 | 119.9° | 119.9° |
| H1 | C1 | O1 | HO1 | 44.9° | 60.0° |
