CVU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | HC1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 109.7° | 109.5° |
| O1 | C1 | H1 | 109.4° | 109.5° |
| O1 | C1 | HC1 | 109.4° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C1 | C2 | O2 | 121.7° | 120.0° |
| C1 | C2 | C3 | 115.8° | 120.0° |
| C2 | C1 | H1 | 109.4° | 109.5° |
| C2 | C1 | HC1 | 109.4° | 109.4° |
| O2 | C2 | C3 | 122.4° | 120.0° |
| C2 | C3 | O3 | 107.3° | 109.5° |
| C2 | C3 | C4 | 110.6° | 109.4° |
| C2 | C3 | H3 | 108.9° | 109.5° |
| O3 | C3 | C4 | 111.4° | 109.5° |
| O3 | C3 | H3 | 110.0° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.1° |
| C3 | C4 | O4 | 111.1° | 109.4° |
| C3 | C4 | C5 | 112.2° | 109.5° |
| C4 | C3 | H3 | 108.5° | 109.5° |
| C3 | C4 | H4 | 107.5° | 109.5° |
| O4 | C4 | C5 | 108.9° | 109.5° |
| O4 | C4 | H4 | 109.2° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | O5 | 110.2° | 109.5° |
| C4 | C5 | C6 | 107.9° | 109.5° |
| C5 | C4 | H4 | 107.9° | 109.5° |
| C4 | C5 | H5 | 109.2° | 109.5° |
| O5 | C5 | C6 | 109.3° | 109.5° |
| O5 | C5 | H5 | 110.6° | 109.5° |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| C6 | C5 | H5 | 109.5° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| C5 | C6 | H63 | 109.4° | 109.4° |
| H1 | C1 | HC1 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H61 | C6 | H63 | 109.5° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H1 | 120.0° | 120.0° |
| O1 | C1 | C2 | HC1 | 120.0° | 120.0° |
| O1 | C1 | C2 | O2 | 24.6° | 0.0° |
| O1 | C1 | C2 | C3 | 157.7° | 180.0° |
| O1 | C1 | H1 | HC1 | 119.9° | 120.1° |
| C1 | C2 | O2 | C3 | 177.6° | 179.9° |
| C1 | C2 | C3 | O3 | 64.0° | 160.0° |
| C1 | C2 | C3 | C4 | 174.3° | 80.1° |
| C2 | C1 | H1 | HC1 | 119.9° | 119.9° |
| C2 | C1 | O1 | HO1 | 10.4° | 179.9° |
| C1 | C2 | C3 | H3 | 55.1° | 40.0° |
| O2 | C2 | C3 | O3 | 113.7° | 19.9° |
| O2 | C2 | C3 | C4 | 8.0° | 100.0° |
| O2 | C2 | C1 | H1 | 95.4° | 120.0° |
| O2 | C2 | C1 | HC1 | 144.7° | 120.0° |
| O2 | C2 | C3 | H3 | 127.2° | 140.0° |
| C2 | C3 | O3 | C4 | 121.2° | 120.0° |
| C2 | C3 | O3 | H3 | 118.4° | 120.0° |
| C2 | C3 | C4 | H3 | 119.4° | 120.0° |
| C2 | C3 | C4 | O4 | 46.3° | 60.0° |
| C2 | C3 | C4 | C5 | 168.4° | 180.0° |
| C3 | C2 | C1 | H1 | 82.3° | 59.9° |
| C3 | C2 | C1 | HC1 | 37.6° | 60.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 73.1° | 60.0° |
| O3 | C3 | C4 | H3 | 121.3° | 120.0° |
| O3 | C3 | C4 | O4 | 165.6° | 180.0° |
| O3 | C3 | C4 | C5 | 72.3° | 60.0° |
| O3 | C3 | C4 | H4 | 46.2° | 59.9° |
| C3 | C4 | O4 | C5 | 124.1° | 120.0° |
| C3 | C4 | O4 | H4 | 118.4° | 120.0° |
| C3 | C4 | C5 | H4 | 118.3° | 120.0° |
| C3 | C4 | C5 | O5 | 81.2° | 55.0° |
| C3 | C4 | C5 | C6 | 159.5° | 175.0° |
| C4 | C3 | O3 | HO3 | 58.8° | 60.0° |
| C3 | C4 | O4 | HO4 | 45.1° | 60.1° |
| C3 | C4 | C5 | H5 | 40.6° | 65.0° |
| O4 | C4 | C5 | H4 | 118.4° | 120.1° |
| O4 | C4 | C5 | O5 | 42.2° | 65.0° |
| O4 | C4 | C5 | C6 | 77.1° | 55.0° |
| O4 | C4 | C3 | H3 | 73.1° | 60.0° |
| O4 | C4 | C5 | H5 | 164.0° | 175.0° |
| C4 | C5 | O5 | C6 | 118.5° | 120.0° |
| C4 | C5 | O5 | H5 | 120.9° | 120.0° |
| C4 | C5 | C6 | H5 | 118.8° | 120.0° |
| C5 | C4 | C3 | H3 | 49.0° | 60.0° |
| C5 | C4 | O4 | HO4 | 169.1° | 59.9° |
| C4 | C5 | O5 | HO5 | 180.0° | 60.0° |
| C4 | C5 | C6 | H61 | 180.0° | 60.0° |
| C4 | C5 | C6 | H62 | 60.0° | 180.0° |
| C4 | C5 | C6 | H63 | 60.0° | 60.0° |
| O5 | C5 | C6 | H5 | 121.3° | 120.0° |
| O5 | C5 | C4 | H4 | 160.5° | 174.9° |
| O5 | C5 | C6 | H61 | 60.1° | 180.0° |
| O5 | C5 | C6 | H62 | 59.9° | 60.0° |
| O5 | C5 | C6 | H63 | 179.9° | 59.9° |
| C6 | C5 | C4 | H4 | 41.2° | 65.0° |
| C6 | C5 | O5 | HO5 | 61.5° | 60.0° |
| C5 | C6 | H61 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H63 | 120.0° | 120.0° |
| C5 | C6 | H62 | H63 | 120.0° | 120.0° |
| H1 | C1 | O1 | HO1 | 109.6° | 60.0° |
| HC1 | C1 | O1 | HO1 | 130.4° | 60.0° |
| H3 | C3 | O3 | HO3 | 61.7° | 180.0° |
| H3 | C3 | C4 | H4 | 167.5° | 180.0° |
| H4 | C4 | O4 | HO4 | 73.3° | 180.0° |
| H4 | C4 | C5 | H5 | 77.7° | 55.0° |
| H5 | C5 | O5 | HO5 | 59.1° | 180.0° |
| H5 | C5 | C6 | H61 | 61.2° | 60.0° |
| H5 | C5 | C6 | H62 | 178.8° | 60.0° |
| H5 | C5 | C6 | H63 | 58.8° | 180.0° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
