49V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6A | C6 | doub | 1.21Å | 1.29Å | |
| C6 | O6B | sing | 1.35Å | 1.30Å | |
| C6 | C5 | sing | 1.47Å | 1.40Å | |
| O5 | C5 | sing | 1.35Å | 1.34Å | |
| O5 | C1 | sing | 1.43Å | 1.40Å | |
| C5 | C4 | doub | 1.33Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.50Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | N2 | sing | 1.47Å | 1.47Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| N2 | C7 | sing | 1.35Å | 1.35Å | |
| O7 | C7 | doub | 1.21Å | 1.21Å | |
| C7 | C8 | sing | 1.51Å | 1.57Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O6B | HO6B | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | sing | 1.43Å | 1.39Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6A | C6 | O6B | 114.1° | 120.0° |
| O6A | C6 | C5 | 121.1° | 120.0° |
| O6B | C6 | C5 | 124.8° | 120.0° |
| C6 | O6B | HO6B | 109.5° | 117.0° |
| C6 | C5 | O5 | 114.9° | 118.5° |
| C6 | C5 | C4 | 124.2° | 118.5° |
| C5 | O5 | C1 | 117.8° | 117.6° |
| O5 | C5 | C4 | 120.8° | 123.0° |
| O5 | C1 | C2 | 110.4° | 108.3° |
| O5 | C1 | H1 | 109.3° | 109.7° |
| O5 | C1 | O1 | 111.1° | 109.7° |
| C5 | C4 | C3 | 123.4° | 122.3° |
| C5 | C4 | H4 | 118.3° | 118.8° |
| C1 | C2 | C3 | 109.0° | 108.3° |
| C1 | C2 | N2 | 111.5° | 109.7° |
| C2 | C1 | H1 | 107.3° | 109.7° |
| C1 | C2 | H7 | 108.5° | 109.7° |
| C2 | C1 | O1 | 109.3° | 109.7° |
| C4 | C3 | C2 | 112.1° | 109.4° |
| C4 | C3 | O3 | 111.3° | 109.5° |
| C3 | C4 | H4 | 118.3° | 118.9° |
| C4 | C3 | H5 | 107.4° | 109.5° |
| C3 | C2 | N2 | 109.6° | 109.7° |
| C2 | C3 | O3 | 112.2° | 109.5° |
| C2 | C3 | H5 | 106.1° | 109.5° |
| C3 | C2 | H7 | 108.6° | 109.7° |
| C2 | N2 | C7 | 124.6° | 120.0° |
| N2 | C2 | H7 | 109.6° | 109.7° |
| C2 | N2 | H8 | 117.7° | 120.0° |
| O3 | C3 | H5 | 107.4° | 109.4° |
| C3 | O3 | H6 | 109.5° | 114.1° |
| N2 | C7 | O7 | 122.0° | 120.0° |
| N2 | C7 | C8 | 120.5° | 120.0° |
| C7 | N2 | H8 | 117.7° | 120.0° |
| O7 | C7 | C8 | 117.5° | 120.0° |
| C7 | C8 | H9 | 109.5° | 109.5° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| C7 | C8 | H11 | 109.5° | 109.4° |
| H1 | C1 | O1 | 109.4° | 109.7° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H9 | C8 | H11 | 109.4° | 109.5° |
| H10 | C8 | H11 | 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) |
| O6A | C6 | O6B | C5 | 179.9° | 180.0° |
| O6A | C6 | C5 | O5 | 3.6° | 180.0° |
| O6A | C6 | C5 | C4 | 178.1° | 0.0° |
| O6A | C6 | O6B | HO6B | 0.0° | 0.0° |
| O6B | C6 | C5 | O5 | 176.5° | 0.0° |
| O6B | C6 | C5 | C4 | 1.8° | 180.0° |
| C6 | C5 | O5 | C4 | 178.4° | 180.0° |
| C6 | C5 | O5 | C1 | 158.6° | 163.4° |
| C6 | C5 | C4 | C3 | 179.8° | 179.6° |
| C5 | C6 | O6B | HO6B | 179.9° | 180.0° |
| C6 | C5 | C4 | H4 | 0.2° | 0.4° |
| C5 | O5 | C1 | C2 | 49.9° | 47.8° |
| O5 | C5 | C4 | C3 | 1.6° | 0.4° |
| C5 | O5 | C1 | H1 | 167.7° | 71.9° |
| O5 | C5 | C4 | H4 | 178.4° | 179.6° |
| C5 | O5 | C1 | O1 | 71.5° | 167.6° |
| C1 | O5 | C5 | C4 | 19.8° | 16.6° |
| O5 | C1 | C2 | H1 | 119.0° | 119.7° |
| O5 | C1 | C2 | O1 | 122.5° | 119.7° |
| O5 | C1 | C2 | C3 | 58.4° | 63.0° |
| O5 | C1 | C2 | N2 | 179.5° | 56.7° |
| O5 | C1 | H1 | O1 | 121.9° | 120.5° |
| O5 | C1 | C2 | H7 | 59.7° | 177.3° |
| O5 | C1 | O1 | HO1 | 180.0° | 61.1° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 10.1° | 17.5° |
| C5 | C4 | C3 | O3 | 116.4° | 137.5° |
| C5 | C4 | C3 | H5 | 126.3° | 102.5° |
| C1 | C2 | C3 | C4 | 38.1° | 47.2° |
| C1 | C2 | C3 | N2 | 122.2° | 119.7° |
| C1 | C2 | C3 | H7 | 118.0° | 119.7° |
| C1 | C2 | N2 | H7 | 120.2° | 120.6° |
| C1 | C2 | C3 | O3 | 88.0° | 167.2° |
| C1 | C2 | N2 | C7 | 109.3° | 85.0° |
| C2 | C1 | H1 | O1 | 118.4° | 120.6° |
| C1 | C2 | C3 | H5 | 155.1° | 72.8° |
| C1 | C2 | N2 | H8 | 70.7° | 95.0° |
| C2 | C1 | O1 | HO1 | 58.0° | 180.0° |
| C4 | C3 | C2 | O3 | 126.1° | 120.0° |
| C4 | C3 | C2 | H5 | 117.0° | 120.0° |
| C4 | C3 | C2 | N2 | 160.4° | 72.6° |
| C4 | C3 | O3 | H5 | 117.3° | 120.0° |
| C4 | C3 | O3 | H6 | 180.0° | 60.0° |
| C4 | C3 | C2 | H7 | 79.9° | 166.9° |
| C3 | C2 | N2 | H7 | 119.1° | 120.6° |
| C2 | C3 | O3 | H5 | 116.1° | 120.0° |
| C3 | C2 | N2 | C7 | 129.9° | 156.2° |
| C3 | C2 | C1 | H1 | 177.4° | 56.7° |
| C2 | C3 | C4 | H4 | 169.9° | 162.5° |
| C2 | C3 | O3 | H6 | 53.4° | 180.0° |
| C3 | C2 | N2 | H8 | 50.1° | 23.8° |
| C3 | C2 | C1 | O1 | 64.1° | 177.3° |
| N2 | C2 | C3 | O3 | 34.3° | 47.5° |
| C2 | N2 | C7 | H8 | 180.0° | 180.0° |
| C2 | N2 | C7 | O7 | 1.4° | 0.0° |
| C2 | N2 | C7 | C8 | 178.1° | 180.0° |
| N2 | C2 | C1 | H1 | 61.5° | 176.4° |
| N2 | C2 | C3 | H5 | 82.6° | 167.5° |
| N2 | C2 | C1 | O1 | 57.0° | 63.0° |
| O3 | C3 | C4 | H4 | 63.5° | 42.4° |
| O3 | C3 | C2 | H7 | 154.0° | 73.1° |
| N2 | C7 | O7 | C8 | 179.6° | 180.0° |
| C7 | N2 | C2 | H7 | 10.8° | 35.6° |
| N2 | C7 | C8 | H9 | 179.6° | 0.0° |
| N2 | C7 | C8 | H10 | 60.4° | 120.0° |
| N2 | C7 | C8 | H11 | 59.6° | 120.0° |
| O7 | C7 | N2 | H8 | 178.5° | 180.0° |
| O7 | C7 | C8 | H9 | 0.0° | 180.0° |
| O7 | C7 | C8 | H10 | 120.0° | 60.0° |
| O7 | C7 | C8 | H11 | 120.0° | 60.0° |
| C8 | C7 | N2 | H8 | 1.9° | 0.0° |
| C7 | C8 | H9 | H10 | 120.0° | 120.0° |
| C7 | C8 | H9 | H11 | 120.0° | 120.0° |
| C7 | C8 | H10 | H11 | 120.0° | 120.0° |
| H1 | C1 | C2 | H7 | 59.3° | 63.0° |
| H1 | C1 | O1 | HO1 | 59.2° | 59.4° |
| H4 | C4 | C3 | H5 | 53.7° | 77.6° |
| H5 | C3 | O3 | H6 | 62.7° | 60.0° |
| H5 | C3 | C2 | H7 | 37.1° | 46.9° |
| H7 | C2 | N2 | H8 | 169.2° | 144.4° |
| H7 | C2 | C1 | O1 | 177.8° | 57.6° |
| H9 | C8 | H10 | H11 | 120.0° | 120.0° |
