VDV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O6 | sing | 1.43Å | 1.39Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| O5 | C2 | sing | 1.43Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.46Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.54Å | 1.49Å | |
| C4 | C5 | sing | 1.55Å | 1.46Å | |
| C3 | O1 | sing | 1.44Å | 1.48Å | |
| C5 | O3 | sing | 1.43Å | 1.41Å | |
| C5 | C6 | sing | 1.55Å | 1.45Å | |
| O1 | C6 | sing | 1.44Å | 1.45Å | |
| C6 | O2 | sing | 1.43Å | 1.32Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| O4 | H10 | sing | 0.97Å | 0.95Å | |
| O5 | H11 | sing | 0.97Å | 0.95Å | |
| O6 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C1 | C2 | 109.9° | 109.5° |
| O6 | C1 | H2 | 109.4° | 109.5° |
| O6 | C1 | H1 | 109.3° | 109.4° |
| C1 | O6 | H12 | 109.5° | 114.0° |
| C1 | C2 | O5 | 110.8° | 109.5° |
| C1 | C2 | C3 | 115.1° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H1 | 109.4° | 109.5° |
| C1 | C2 | H3 | 109.9° | 109.5° |
| O5 | C2 | C3 | 97.8° | 109.5° |
| O5 | C2 | H3 | 111.9° | 109.5° |
| C2 | O5 | H11 | 109.5° | 114.0° |
| C2 | C3 | C4 | 126.5° | 109.9° |
| C2 | C3 | O1 | 116.4° | 109.9° |
| C3 | C2 | H3 | 110.9° | 109.5° |
| C2 | C3 | H4 | 98.7° | 109.8° |
| O4 | C4 | C3 | 109.4° | 110.5° |
| O4 | C4 | C5 | 102.9° | 110.5° |
| O4 | C4 | H5 | 115.9° | 110.4° |
| C4 | O4 | H10 | 109.5° | 114.0° |
| C3 | C4 | C5 | 96.5° | 104.2° |
| C4 | C3 | O1 | 110.4° | 107.3° |
| C3 | C4 | H5 | 114.7° | 110.5° |
| C4 | C3 | H4 | 98.5° | 109.9° |
| C4 | C5 | O3 | 121.9° | 111.0° |
| C4 | C5 | C6 | 114.3° | 102.1° |
| C5 | C4 | H5 | 115.3° | 110.6° |
| C4 | C5 | H6 | 95.7° | 110.9° |
| C3 | O1 | C6 | 99.2° | 107.0° |
| O1 | C3 | H4 | 98.6° | 110.0° |
| O3 | C5 | C6 | 120.8° | 110.9° |
| O3 | C5 | H6 | 95.9° | 110.8° |
| C5 | O3 | H9 | 109.5° | 114.0° |
| C5 | C6 | O1 | 104.0° | 103.5° |
| C5 | C6 | O2 | 120.1° | 110.6° |
| C6 | C5 | H6 | 95.7° | 110.9° |
| C5 | C6 | H7 | 105.2° | 110.6° |
| O1 | C6 | O2 | 114.4° | 110.6° |
| O1 | C6 | H7 | 105.1° | 110.8° |
| O2 | C6 | H7 | 106.7° | 110.6° |
| C6 | O2 | H8 | 109.5° | 114.0° |
| H2 | C1 | H1 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C1 | C2 | H2 | 120.1° | 120.0° |
| O6 | C1 | C2 | H1 | 120.0° | 120.0° |
| O6 | C1 | C2 | O5 | 179.8° | 65.0° |
| O6 | C1 | C2 | C3 | 70.4° | 175.0° |
| O6 | C1 | H2 | H1 | 119.8° | 119.9° |
| O6 | C1 | C2 | H3 | 55.6° | 55.0° |
| C1 | C2 | O5 | C3 | 120.7° | 120.0° |
| C1 | C2 | O5 | H3 | 123.0° | 120.0° |
| C1 | C2 | C3 | H3 | 125.5° | 120.0° |
| C1 | C2 | C3 | C4 | 54.1° | 180.0° |
| C1 | C2 | C3 | O1 | 157.5° | 62.2° |
| C2 | C1 | H2 | H1 | 119.9° | 120.1° |
| C1 | C2 | C3 | H4 | 53.4° | 59.0° |
| C1 | C2 | O5 | H11 | 180.0° | 60.0° |
| C2 | C1 | O6 | H12 | 180.0° | 180.0° |
| O5 | C2 | C3 | H3 | 117.1° | 120.0° |
| O5 | C2 | C3 | C4 | 63.3° | 60.0° |
| O5 | C2 | C3 | O1 | 85.1° | 177.9° |
| O5 | C2 | C1 | H2 | 59.7° | 175.0° |
| O5 | C2 | C1 | H1 | 60.2° | 55.0° |
| O5 | C2 | C3 | H4 | 170.8° | 61.0° |
| C2 | C3 | C4 | O4 | 133.3° | 119.9° |
| C2 | C3 | C4 | O1 | 150.0° | 119.4° |
| C2 | C3 | C4 | H4 | 107.5° | 121.0° |
| C2 | C3 | C4 | C5 | 120.6° | 121.5° |
| C2 | C3 | O1 | H4 | 104.2° | 121.0° |
| C2 | C3 | O1 | C6 | 112.5° | 145.9° |
| C2 | C3 | C4 | H5 | 1.2° | 2.6° |
| C3 | C2 | C1 | H2 | 169.5° | 55.0° |
| C3 | C2 | C1 | H1 | 49.6° | 65.0° |
| C3 | C2 | O5 | H11 | 59.3° | 60.0° |
| O4 | C4 | C3 | C5 | 106.1° | 118.6° |
| O4 | C4 | C3 | H5 | 132.1° | 122.5° |
| O4 | C4 | C5 | H5 | 127.1° | 122.6° |
| O4 | C4 | C3 | O1 | 76.7° | 120.7° |
| O4 | C4 | C5 | O3 | 55.7° | 20.4° |
| O4 | C4 | C5 | C6 | 104.8° | 97.8° |
| O4 | C4 | C5 | H6 | 156.3° | 144.0° |
| O4 | C4 | C3 | H4 | 25.8° | 1.1° |
| C3 | C4 | C5 | H5 | 121.3° | 118.8° |
| C4 | C3 | O1 | H4 | 102.5° | 119.6° |
| C3 | C4 | C5 | O3 | 167.4° | 139.1° |
| C3 | C4 | C5 | C6 | 6.9° | 20.8° |
| C4 | C3 | O1 | C6 | 40.9° | 26.5° |
| C3 | C4 | C5 | H6 | 92.1° | 97.3° |
| C4 | C3 | C2 | H3 | 179.6° | 60.0° |
| C3 | C4 | O4 | H10 | 180.0° | 180.0° |
| C5 | C4 | C3 | O1 | 29.4° | 2.1° |
| C4 | C5 | O3 | C6 | 159.3° | 112.7° |
| C4 | C5 | O3 | H6 | 100.5° | 123.7° |
| C4 | C5 | C6 | H6 | 98.9° | 118.2° |
| C4 | C5 | C6 | O1 | 17.5° | 37.0° |
| C4 | C5 | C6 | O2 | 147.1° | 81.5° |
| C4 | C5 | C6 | H7 | 92.8° | 155.6° |
| C5 | C4 | C3 | H4 | 131.9° | 117.5° |
| C4 | C5 | O3 | H9 | 180.0° | 179.9° |
| C5 | C4 | O4 | H10 | 78.3° | 65.2° |
| C3 | O1 | C6 | C5 | 32.9° | 40.0° |
| C3 | O1 | C6 | O2 | 165.9° | 78.5° |
| O1 | C3 | C4 | H5 | 151.2° | 116.8° |
| C3 | O1 | C6 | H7 | 77.4° | 158.6° |
| O1 | C3 | C2 | H3 | 31.9° | 57.9° |
| O3 | C5 | C6 | H6 | 100.3° | 123.6° |
| O3 | C5 | C6 | O1 | 143.3° | 155.2° |
| O3 | C5 | C6 | O2 | 13.6° | 36.8° |
| O3 | C5 | C4 | H5 | 71.4° | 102.2° |
| O3 | C5 | C6 | H7 | 106.5° | 86.1° |
| C5 | C6 | O1 | O2 | 133.0° | 118.5° |
| C5 | C6 | O1 | H7 | 110.3° | 118.6° |
| C5 | C6 | O2 | H7 | 119.3° | 122.9° |
| C6 | C5 | C4 | H5 | 128.1° | 139.6° |
| C5 | C6 | O2 | H8 | 180.0° | 180.0° |
| C6 | C5 | O3 | H9 | 20.7° | 67.3° |
| O1 | C6 | O2 | H7 | 115.8° | 123.1° |
| O1 | C6 | C5 | H6 | 116.4° | 81.2° |
| C6 | O1 | C3 | H4 | 143.4° | 93.0° |
| O1 | C6 | O2 | H8 | 55.1° | 65.9° |
| O2 | C6 | C5 | H6 | 114.0° | 160.3° |
| H5 | C4 | C5 | H6 | 29.2° | 21.5° |
| H5 | C4 | C3 | H4 | 106.3° | 123.6° |
| H5 | C4 | O4 | H10 | 48.5° | 57.4° |
| H6 | C5 | C6 | H7 | 6.1° | 37.5° |
| H6 | C5 | O3 | H9 | 79.5° | 56.3° |
| H7 | C6 | O2 | H8 | 60.7° | 57.2° |
| H2 | C1 | C2 | H3 | 64.4° | 65.0° |
| H2 | C1 | O6 | H12 | 59.9° | 59.9° |
| H1 | C1 | C2 | H3 | 175.7° | 175.0° |
| H1 | C1 | O6 | H12 | 59.9° | 60.0° |
| H3 | C2 | C3 | H4 | 72.2° | 179.0° |
| H3 | C2 | O5 | H11 | 57.0° | 180.0° |
