TYV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C6 | H63 | sing | 1.09Å | 1.11Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 110.1° | 109.4° |
| C2 | C1 | O5 | 111.0° | 109.8° |
| C2 | C1 | H1 | 109.0° | 109.4° |
| C1 | C2 | C3 | 111.1° | 109.0° |
| C1 | C2 | O2 | 109.2° | 109.6° |
| C1 | C2 | H2 | 108.8° | 109.6° |
| O1 | C1 | O5 | 112.2° | 109.4° |
| O1 | C1 | H1 | 107.7° | 109.4° |
| C1 | O1 | HO1 | 110.1° | 106.9° |
| O5 | C1 | H1 | 106.8° | 109.5° |
| C1 | O5 | C5 | 114.3° | 107.6° |
| C3 | C2 | O2 | 110.1° | 109.6° |
| C3 | C2 | H2 | 107.9° | 109.5° |
| C2 | C3 | C4 | 110.2° | 108.6° |
| C2 | C3 | H31 | 111.9° | 109.6° |
| C2 | C3 | H32 | 111.9° | 109.6° |
| O2 | C2 | H2 | 109.8° | 109.6° |
| C2 | O2 | HO2 | 109.2° | 106.8° |
| C4 | C3 | H31 | 112.0° | 109.7° |
| C4 | C3 | H32 | 112.0° | 109.6° |
| C3 | C4 | C5 | 109.3° | 109.1° |
| C3 | C4 | O4 | 110.3° | 109.6° |
| C3 | C4 | H4 | 109.1° | 109.5° |
| H31 | C3 | H32 | 98.4° | 109.8° |
| C5 | C4 | O4 | 109.7° | 109.5° |
| C5 | C4 | H4 | 109.8° | 109.6° |
| C4 | C5 | C6 | 114.0° | 109.4° |
| C4 | C5 | O5 | 109.4° | 109.7° |
| C4 | C5 | H5 | 105.8° | 109.5° |
| O4 | C4 | H4 | 108.7° | 109.5° |
| C4 | O4 | HO4 | 110.3° | 106.8° |
| C6 | C5 | O5 | 107.8° | 109.4° |
| C6 | C5 | H5 | 107.6° | 109.4° |
| C5 | C6 | H61 | 114.0° | 109.5° |
| C5 | C6 | H62 | 110.5° | 109.4° |
| C5 | C6 | H63 | 110.5° | 109.5° |
| O5 | C5 | H5 | 112.3° | 109.4° |
| H61 | C6 | H62 | 110.6° | 109.5° |
| H61 | C6 | H63 | 110.6° | 109.5° |
| H62 | C6 | H63 | 99.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O5 | 124.1° | 120.3° |
| C2 | C1 | O1 | H1 | 118.7° | 119.8° |
| C2 | C1 | O5 | H1 | 118.6° | 120.1° |
| C1 | C2 | C3 | O2 | 121.0° | 119.9° |
| C1 | C2 | C3 | H2 | 119.2° | 119.9° |
| C1 | C2 | O2 | H2 | 119.2° | 120.2° |
| C1 | C2 | C3 | C4 | 52.1° | 53.7° |
| C1 | C2 | C3 | H31 | 73.2° | 66.0° |
| C1 | C2 | C3 | H32 | 177.4° | 173.5° |
| C2 | C1 | O5 | C5 | 57.4° | 67.6° |
| C2 | C1 | O1 | HO1 | 180.0° | 179.6° |
| C1 | C2 | O2 | HO2 | 179.9° | 60.0° |
| O1 | C1 | O5 | H1 | 117.7° | 119.8° |
| O1 | C1 | C2 | C3 | 73.1° | 58.8° |
| O1 | C1 | C2 | O2 | 165.3° | 178.7° |
| O1 | C1 | C2 | H2 | 45.5° | 61.0° |
| O1 | C1 | O5 | C5 | 66.2° | 52.5° |
| O5 | C1 | C2 | C3 | 51.7° | 61.2° |
| O5 | C1 | C2 | O2 | 69.9° | 58.7° |
| O5 | C1 | C2 | H2 | 170.3° | 178.9° |
| C1 | O5 | C5 | C4 | 61.5° | 67.6° |
| C1 | O5 | C5 | C6 | 174.0° | 172.3° |
| C1 | O5 | C5 | H5 | 55.7° | 52.5° |
| O5 | C1 | O1 | HO1 | 55.9° | 60.0° |
| H1 | C1 | C2 | C3 | 169.0° | 178.6° |
| H1 | C1 | C2 | O2 | 47.4° | 61.5° |
| H1 | C1 | C2 | H2 | 72.4° | 58.8° |
| H1 | C1 | O5 | C5 | 176.1° | 172.3° |
| H1 | C1 | O1 | HO1 | 61.3° | 59.8° |
| C3 | C2 | O2 | H2 | 118.6° | 120.2° |
| C2 | C3 | C4 | H31 | 125.3° | 119.7° |
| C2 | C3 | C4 | H32 | 125.3° | 119.7° |
| C2 | C3 | H31 | H32 | 117.8° | 120.4° |
| C2 | C3 | C4 | C5 | 55.8° | 53.8° |
| C2 | C3 | C4 | O4 | 176.5° | 173.7° |
| C2 | C3 | C4 | H4 | 64.2° | 66.2° |
| C3 | C2 | O2 | HO2 | 57.9° | 179.5° |
| O2 | C2 | C3 | C4 | 68.9° | 66.2° |
| O2 | C2 | C3 | H31 | 165.8° | 174.1° |
| O2 | C2 | C3 | H32 | 56.4° | 53.5° |
| H2 | C2 | C3 | C4 | 171.3° | 173.6° |
| H2 | C2 | C3 | H31 | 46.0° | 53.8° |
| H2 | C2 | C3 | H32 | 63.4° | 66.7° |
| H2 | C2 | O2 | HO2 | 60.7° | 60.3° |
| C4 | C3 | H31 | H32 | 117.9° | 120.5° |
| C3 | C4 | C5 | O4 | 121.0° | 119.9° |
| C3 | C4 | C5 | H4 | 119.6° | 119.9° |
| C3 | C4 | O4 | H4 | 119.6° | 120.2° |
| C3 | C4 | C5 | C6 | 179.9° | 178.6° |
| C3 | C4 | C5 | O5 | 59.2° | 61.4° |
| C3 | C4 | C5 | H5 | 62.0° | 58.7° |
| C3 | C4 | O4 | HO4 | 180.0° | 59.9° |
| H31 | C3 | C4 | C5 | 69.4° | 65.9° |
| H31 | C3 | C4 | O4 | 51.2° | 54.0° |
| H31 | C3 | C4 | H4 | 170.6° | 174.1° |
| H32 | C3 | C4 | C5 | 178.9° | 173.5° |
| H32 | C3 | C4 | O4 | 58.3° | 66.6° |
| H32 | C3 | C4 | H4 | 61.1° | 53.5° |
| C5 | C4 | O4 | H4 | 120.0° | 120.3° |
| C4 | C5 | C6 | O5 | 121.6° | 120.2° |
| C4 | C5 | C6 | H5 | 117.0° | 119.9° |
| C4 | C5 | O5 | H5 | 117.2° | 120.1° |
| C4 | C5 | C6 | H61 | 180.0° | 179.9° |
| C4 | C5 | C6 | H62 | 54.8° | 59.9° |
| C4 | C5 | C6 | H63 | 54.7° | 60.1° |
| C5 | C4 | O4 | HO4 | 59.6° | 179.5° |
| O4 | C4 | C5 | C6 | 59.1° | 58.7° |
| O4 | C4 | C5 | O5 | 179.8° | 178.7° |
| O4 | C4 | C5 | H5 | 59.0° | 61.2° |
| H4 | C4 | C5 | C6 | 60.3° | 61.5° |
| H4 | C4 | C5 | O5 | 60.4° | 58.5° |
| H4 | C4 | C5 | H5 | 178.4° | 178.6° |
| H4 | C4 | O4 | HO4 | 60.4° | 60.2° |
| C6 | C5 | O5 | H5 | 118.4° | 119.8° |
| C5 | C6 | H61 | H62 | 125.2° | 120.0° |
| C5 | C6 | H61 | H63 | 125.2° | 120.0° |
| C5 | C6 | H62 | H63 | 116.4° | 120.0° |
| O5 | C5 | C6 | H61 | 58.4° | 59.9° |
| O5 | C5 | C6 | H62 | 176.4° | 179.9° |
| O5 | C5 | C6 | H63 | 66.9° | 60.1° |
| H5 | C5 | C6 | H61 | 62.9° | 60.0° |
| H5 | C5 | C6 | H62 | 62.3° | 60.1° |
| H5 | C5 | C6 | H63 | 171.7° | 180.0° |
| H61 | C6 | H62 | H63 | 116.5° | 120.0° |
