TVV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.40Å | |
| O3 | CAQ | sing | 1.43Å | 1.45Å | |
| O3 | C3 | sing | 1.43Å | 1.44Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.48Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| CAQ | CAD | sing | 1.47Å | 1.32Å | |
| C4 | C3 | sing | 1.53Å | 1.48Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| O5 | C1 | sing | 1.43Å | 1.43Å | |
| O5 | C5 | sing | 1.43Å | 1.47Å | |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C6 | O6 | sing | 1.43Å | 1.47Å | |
| CAD | CAC | trip | 1.17Å | 1.05Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| CAQ | H65 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAC | HAD | sing | 1.05Å | 1.06Å | |
| 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 | 109.6° | 109.6° |
| O4 | C4 | C5 | 114.6° | 109.5° |
| O4 | C4 | H4 | 108.2° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.1° |
| CAQ | O3 | C3 | 116.8° | 114.0° |
| O3 | CAQ | CAD | 108.1° | 109.4° |
| O3 | CAQ | H65 | 109.8° | 109.5° |
| O3 | CAQ | HAQ | 109.8° | 109.5° |
| O3 | C3 | C2 | 106.8° | 109.5° |
| O3 | C3 | C4 | 112.2° | 109.5° |
| O3 | C3 | H3 | 109.7° | 109.6° |
| O2 | C2 | C3 | 107.0° | 109.5° |
| O2 | C2 | C1 | 106.9° | 109.5° |
| O2 | C2 | H2 | 112.2° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C2 | C1 | 108.9° | 109.2° |
| C2 | C3 | C4 | 109.7° | 109.0° |
| C3 | C2 | H2 | 111.1° | 109.5° |
| C2 | C3 | H3 | 109.2° | 109.6° |
| C2 | C1 | O5 | 110.3° | 109.4° |
| C2 | C1 | H1 | 108.6° | 109.5° |
| C1 | C2 | H2 | 110.6° | 109.6° |
| C2 | C1 | O1 | 106.1° | 109.5° |
| CAQ | CAD | CAC | 178.8° | 180.0° |
| CAD | CAQ | H65 | 109.8° | 109.5° |
| CAD | CAQ | HAQ | 109.8° | 109.4° |
| C3 | C4 | C5 | 110.7° | 109.2° |
| C3 | C4 | H4 | 107.1° | 109.5° |
| C4 | C3 | H3 | 109.2° | 109.6° |
| C4 | C5 | O5 | 104.5° | 109.4° |
| C4 | C5 | C6 | 113.4° | 109.5° |
| C4 | C5 | H5 | 108.8° | 109.5° |
| C5 | C4 | H4 | 106.3° | 109.5° |
| C1 | O5 | C5 | 113.3° | 114.1° |
| O5 | C1 | H1 | 109.7° | 109.5° |
| O5 | C1 | O1 | 112.2° | 109.5° |
| O5 | C5 | C6 | 110.6° | 109.4° |
| O5 | C5 | H5 | 109.9° | 109.5° |
| C5 | C6 | O6 | 105.8° | 109.5° |
| C6 | C5 | H5 | 109.5° | 109.5° |
| C5 | C6 | H61 | 110.4° | 109.4° |
| C5 | C6 | H62 | 110.4° | 109.5° |
| O6 | C6 | H61 | 110.4° | 109.5° |
| O6 | C6 | H62 | 110.4° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| CAD | CAC | HAD | 180.0° | 180.0° |
| H1 | C1 | O1 | 109.9° | 109.4° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H65 | CAQ | HAQ | 109.5° | 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 | O3 | 51.7° | 56.9° |
| O4 | C4 | C3 | C2 | 66.8° | 62.9° |
| O4 | C4 | C3 | C5 | 127.4° | 119.9° |
| O4 | C4 | C3 | H4 | 117.1° | 120.2° |
| O4 | C4 | C5 | H4 | 119.4° | 120.1° |
| O4 | C4 | C5 | O5 | 65.3° | 62.3° |
| O4 | C4 | C5 | C6 | 55.2° | 57.6° |
| O4 | C4 | C5 | H5 | 177.3° | 177.7° |
| O4 | C4 | C3 | H3 | 173.6° | 177.2° |
| CAQ | O3 | C3 | C2 | 177.9° | 90.0° |
| O3 | CAQ | CAD | H65 | 119.8° | 120.0° |
| O3 | CAQ | CAD | HAQ | 119.8° | 120.0° |
| CAQ | O3 | C3 | C4 | 61.9° | 150.5° |
| O3 | CAQ | CAD | CAC | 178.6° | 105.6° |
| CAQ | O3 | C3 | H3 | 59.7° | 30.2° |
| O3 | CAQ | H65 | HAQ | 120.6° | 120.0° |
| O3 | C3 | C2 | O2 | 65.3° | 63.3° |
| O3 | C3 | C2 | C4 | 121.8° | 119.8° |
| O3 | C3 | C2 | H3 | 118.6° | 120.3° |
| O3 | C3 | C2 | C1 | 179.5° | 176.8° |
| C3 | O3 | CAQ | CAD | 89.4° | 180.0° |
| O3 | C3 | C4 | H3 | 121.9° | 120.3° |
| O3 | C3 | C4 | C5 | 179.1° | 176.8° |
| O3 | C3 | C2 | H2 | 57.4° | 56.9° |
| O3 | C3 | C4 | H4 | 65.4° | 63.3° |
| C3 | O3 | CAQ | H65 | 150.9° | 60.0° |
| C3 | O3 | CAQ | HAQ | 30.4° | 60.1° |
| O2 | C2 | C3 | C1 | 115.2° | 119.9° |
| O2 | C2 | C3 | H2 | 122.7° | 120.1° |
| O2 | C2 | C1 | H2 | 122.4° | 120.1° |
| O2 | C2 | C3 | C4 | 172.9° | 176.9° |
| O2 | C2 | C1 | O5 | 173.1° | 177.5° |
| O2 | C2 | C1 | H1 | 52.8° | 57.5° |
| O2 | C2 | C3 | H3 | 53.3° | 57.0° |
| O2 | C2 | C1 | O1 | 65.3° | 62.5° |
| C3 | C2 | C1 | H2 | 122.4° | 120.0° |
| C2 | C3 | C4 | H3 | 119.6° | 119.9° |
| C2 | C3 | C4 | C5 | 60.6° | 57.0° |
| C3 | C2 | C1 | O5 | 57.8° | 57.6° |
| C3 | C2 | C1 | H1 | 62.4° | 62.4° |
| C3 | C2 | O2 | HO2 | 180.0° | 180.0° |
| C2 | C3 | C4 | H4 | 176.1° | 176.9° |
| C3 | C2 | C1 | O1 | 179.5° | 177.6° |
| C1 | C2 | C3 | C4 | 57.7° | 57.0° |
| C2 | C1 | O5 | H1 | 119.6° | 120.0° |
| C2 | C1 | O5 | O1 | 118.0° | 120.0° |
| C2 | C1 | O5 | C5 | 62.3° | 61.2° |
| C2 | C1 | H1 | O1 | 115.6° | 120.0° |
| C1 | C2 | O2 | HO2 | 63.5° | 60.4° |
| C1 | C2 | C3 | H3 | 61.9° | 62.9° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| CAD | CAQ | H65 | HAQ | 120.6° | 120.0° |
| CAQ | CAD | CAC | HAD | 30.4° | 140.4° |
| C3 | C4 | C5 | H4 | 116.0° | 119.9° |
| C3 | C4 | C5 | O5 | 59.3° | 57.7° |
| C3 | C4 | C5 | C6 | 179.8° | 177.6° |
| C4 | C3 | C2 | H2 | 64.4° | 63.0° |
| C3 | C4 | C5 | H5 | 58.0° | 62.3° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C4 | C5 | O5 | C1 | 60.9° | 61.2° |
| C4 | C5 | O5 | C6 | 122.4° | 119.9° |
| C4 | C5 | O5 | H5 | 116.6° | 120.0° |
| C4 | C5 | C6 | H5 | 121.7° | 120.1° |
| C4 | C5 | C6 | O6 | 179.5° | 175.1° |
| C4 | C5 | C6 | H61 | 60.1° | 55.1° |
| C4 | C5 | C6 | H62 | 61.1° | 64.9° |
| C5 | C4 | O4 | HO4 | 54.8° | 60.3° |
| C5 | C4 | C3 | H3 | 59.0° | 62.9° |
| C1 | O5 | C5 | C6 | 176.7° | 178.9° |
| O5 | C1 | H1 | O1 | 123.8° | 120.0° |
| O5 | C1 | C2 | H2 | 64.5° | 62.3° |
| C1 | O5 | C5 | H5 | 55.7° | 58.8° |
| O5 | C1 | O1 | HO1 | 59.6° | 60.0° |
| O5 | C5 | C6 | H5 | 121.2° | 120.0° |
| O5 | C5 | C6 | O6 | 63.4° | 65.1° |
| C5 | O5 | C1 | H1 | 57.2° | 58.8° |
| O5 | C5 | C6 | H61 | 177.2° | 175.0° |
| O5 | C5 | C6 | H62 | 56.0° | 55.0° |
| O5 | C5 | C4 | H4 | 175.3° | 177.6° |
| C5 | O5 | C1 | O1 | 179.7° | 178.8° |
| C5 | C6 | O6 | H61 | 119.4° | 119.9° |
| C5 | C6 | O6 | H62 | 119.4° | 120.1° |
| C5 | C6 | H61 | H62 | 121.7° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 179.9° |
| C6 | C5 | C4 | H4 | 64.2° | 62.5° |
| O6 | C6 | C5 | H5 | 57.8° | 55.0° |
| O6 | C6 | H61 | H62 | 121.7° | 120.0° |
| CAC | CAD | CAQ | H65 | 61.6° | 134.4° |
| CAC | CAD | CAQ | HAQ | 58.8° | 14.4° |
| H1 | C1 | C2 | H2 | 175.2° | 177.7° |
| H1 | C1 | O1 | HO1 | 62.8° | 60.0° |
| H2 | C2 | O2 | HO2 | 57.9° | 59.8° |
| H2 | C2 | C3 | H3 | 176.0° | 177.1° |
| H2 | C2 | C1 | O1 | 57.1° | 57.7° |
| H5 | C5 | C6 | H61 | 61.6° | 65.0° |
| H5 | C5 | C6 | H62 | 177.2° | 175.0° |
| H5 | C5 | C4 | H4 | 57.9° | 57.6° |
| H61 | C6 | O6 | HO6 | 60.6° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.6° | 60.0° |
| H4 | C4 | O4 | HO4 | 63.5° | 59.8° |
| H4 | C4 | C3 | H3 | 56.5° | 57.0° |
