DVC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C1 | sing | 1.43Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| N3 | C3 | sing | 1.47Å | 1.48Å | |
| C3 | C3M | sing | 1.53Å | 1.50Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| N3 | HN3A | sing | 1.01Å | 1.00Å | |
| O41 | C4 | sing | 1.43Å | 1.37Å | |
| O4 | C4 | sing | 1.43Å | 1.37Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | C5 | sing | 1.53Å | 1.57Å | |
| C5 | O5 | sing | 1.43Å | 1.40Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C3M | H3M | sing | 1.09Å | 1.10Å | |
| C3M | H3MA | sing | 1.09Å | 1.10Å | |
| C3M | H3MB | sing | 1.09Å | 1.10Å | |
| O41 | HO41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C1 | C2 | 115.1° | 109.4° |
| O5 | C1 | O1 | 109.5° | 109.5° |
| O5 | C1 | H1 | 105.2° | 109.4° |
| C1 | O5 | C5 | 112.8° | 114.1° |
| C2 | C1 | O1 | 108.4° | 109.5° |
| C2 | C1 | H1 | 106.4° | 109.5° |
| C1 | C2 | C3 | 113.5° | 109.2° |
| C1 | C2 | H2 | 108.1° | 109.5° |
| C1 | C2 | H2A | 108.1° | 109.5° |
| O1 | C1 | H1 | 112.2° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C3 | C2 | H2 | 108.2° | 109.5° |
| C3 | C2 | H2A | 108.2° | 109.6° |
| C2 | C3 | C4 | 108.6° | 109.1° |
| C2 | C3 | N3 | 107.5° | 109.6° |
| C2 | C3 | C3M | 110.4° | 109.6° |
| H2 | C2 | H2A | 110.7° | 109.5° |
| C4 | C3 | N3 | 107.0° | 109.6° |
| C4 | C3 | C3M | 113.9° | 109.5° |
| C3 | C4 | O41 | 112.2° | 109.6° |
| C3 | C4 | O4 | 110.1° | 109.5° |
| C3 | C4 | C5 | 109.7° | 109.2° |
| N3 | C3 | C3M | 109.3° | 109.5° |
| C3 | N3 | HN3 | 109.5° | 110.9° |
| C3 | N3 | HN3A | 109.5° | 111.0° |
| C3 | C3M | H3M | 109.5° | 109.5° |
| C3 | C3M | H3MA | 109.4° | 109.5° |
| C3 | C3M | H3MB | 109.5° | 109.5° |
| HN3 | N3 | HN3A | 109.4° | 111.0° |
| O41 | C4 | O4 | 103.7° | 109.6° |
| O41 | C4 | C5 | 110.5° | 109.6° |
| C4 | O41 | HO41 | 109.5° | 114.0° |
| O4 | C4 | C5 | 110.5° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | C6 | 111.6° | 109.5° |
| C4 | C5 | O5 | 111.9° | 109.4° |
| C4 | C5 | H5 | 104.5° | 109.4° |
| C6 | C5 | O5 | 103.1° | 109.5° |
| C6 | C5 | H5 | 113.1° | 109.5° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | C6 | H6A | 109.5° | 109.5° |
| C5 | C6 | H6B | 109.4° | 109.5° |
| O5 | C5 | H5 | 112.8° | 109.5° |
| H6 | C6 | H6A | 109.4° | 109.4° |
| H6 | C6 | H6B | 109.5° | 109.5° |
| H6A | C6 | H6B | 109.5° | 109.4° |
| H3M | C3M | H3MA | 109.5° | 109.4° |
| H3M | C3M | H3MB | 109.4° | 109.5° |
| H3MA | C3M | H3MB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C1 | C2 | O1 | 123.0° | 120.0° |
| O5 | C1 | C2 | H1 | 116.1° | 120.0° |
| O5 | C1 | O1 | H1 | 116.5° | 119.9° |
| O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
| O5 | C1 | C2 | C3 | 46.9° | 57.6° |
| O5 | C1 | C2 | H2 | 73.1° | 62.3° |
| O5 | C1 | C2 | H2A | 166.9° | 177.6° |
| C1 | O5 | C5 | C4 | 57.8° | 61.1° |
| C1 | O5 | C5 | C6 | 177.9° | 178.9° |
| C1 | O5 | C5 | H5 | 59.8° | 58.8° |
| C2 | C1 | O1 | H1 | 117.2° | 120.1° |
| C2 | C1 | O1 | HO1 | 53.7° | 180.0° |
| C1 | C2 | C3 | H2 | 120.0° | 119.9° |
| C1 | C2 | C3 | H2A | 120.0° | 119.9° |
| C1 | C2 | H2 | H2A | 118.3° | 120.1° |
| C1 | C2 | C3 | C4 | 48.2° | 57.0° |
| C1 | C2 | C3 | N3 | 163.6° | 176.9° |
| C1 | C2 | C3 | C3M | 77.3° | 62.9° |
| C2 | C1 | O5 | C5 | 51.7° | 61.1° |
| O1 | C1 | C2 | C3 | 76.1° | 62.4° |
| O1 | C1 | C2 | H2 | 163.9° | 177.7° |
| O1 | C1 | C2 | H2A | 43.9° | 57.6° |
| O1 | C1 | O5 | C5 | 70.7° | 58.9° |
| H1 | C1 | O1 | HO1 | 63.5° | 59.9° |
| H1 | C1 | C2 | C3 | 163.0° | 177.6° |
| H1 | C1 | C2 | H2 | 43.0° | 57.7° |
| H1 | C1 | C2 | H2A | 77.0° | 62.5° |
| H1 | C1 | O5 | C5 | 168.4° | 178.8° |
| C3 | C2 | H2 | H2A | 118.4° | 120.2° |
| C2 | C3 | C4 | N3 | 115.7° | 119.9° |
| C2 | C3 | C4 | C3M | 123.4° | 119.9° |
| C2 | C3 | N3 | C3M | 119.8° | 120.2° |
| C2 | C3 | N3 | HN3 | 180.0° | 60.0° |
| C2 | C3 | N3 | HN3A | 60.0° | 176.1° |
| C2 | C3 | C4 | O41 | 176.6° | 176.9° |
| C2 | C3 | C4 | O4 | 68.4° | 62.9° |
| C2 | C3 | C4 | C5 | 53.4° | 56.9° |
| C2 | C3 | C3M | H3M | 180.0° | 69.9° |
| C2 | C3 | C3M | H3MA | 60.0° | 170.2° |
| C2 | C3 | C3M | H3MB | 60.0° | 50.2° |
| H2 | C2 | C3 | C4 | 71.8° | 62.9° |
| H2 | C2 | C3 | N3 | 43.6° | 57.0° |
| H2 | C2 | C3 | C3M | 162.7° | 177.2° |
| H2A | C2 | C3 | C4 | 168.2° | 176.9° |
| H2A | C2 | C3 | N3 | 76.4° | 63.1° |
| H2A | C2 | C3 | C3M | 42.7° | 57.0° |
| C4 | C3 | N3 | C3M | 123.7° | 120.2° |
| C4 | C3 | N3 | HN3 | 63.5° | 179.7° |
| C4 | C3 | N3 | HN3A | 56.5° | 56.4° |
| C3 | C4 | O41 | O4 | 118.8° | 120.2° |
| C3 | C4 | O41 | C5 | 122.8° | 119.7° |
| C3 | C4 | O4 | C5 | 121.3° | 119.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 175.5° | 177.6° |
| C3 | C4 | C5 | O5 | 60.5° | 57.5° |
| C3 | C4 | C5 | H5 | 61.9° | 62.5° |
| C4 | C3 | C3M | H3M | 57.6° | 49.7° |
| C4 | C3 | C3M | H3MA | 177.6° | 70.2° |
| C4 | C3 | C3M | H3MB | 62.4° | 169.8° |
| C3 | C4 | O41 | HO41 | 180.0° | 180.0° |
| C3 | N3 | HN3 | HN3A | 120.0° | 123.9° |
| N3 | C3 | C4 | O41 | 67.7° | 63.2° |
| N3 | C3 | C4 | O4 | 47.3° | 57.0° |
| N3 | C3 | C4 | C5 | 169.1° | 176.9° |
| N3 | C3 | C3M | H3M | 62.1° | 169.9° |
| N3 | C3 | C3M | H3MA | 58.0° | 50.0° |
| N3 | C3 | C3M | H3MB | 178.0° | 70.0° |
| C3M | C3 | N3 | HN3 | 60.2° | 60.2° |
| C3M | C3 | N3 | HN3A | 179.8° | 63.7° |
| C3M | C3 | C4 | O41 | 53.2° | 57.0° |
| C3M | C3 | C4 | O4 | 168.2° | 177.2° |
| C3M | C3 | C4 | C5 | 70.0° | 63.0° |
| C3 | C3M | H3M | H3MA | 120.0° | 120.0° |
| C3 | C3M | H3M | H3MB | 120.0° | 120.0° |
| C3 | C3M | H3MA | H3MB | 120.0° | 120.0° |
| O41 | C4 | O4 | C5 | 118.4° | 120.2° |
| O41 | C4 | O4 | HO4 | 59.7° | 59.8° |
| O41 | C4 | C5 | C6 | 60.3° | 62.5° |
| O41 | C4 | C5 | O5 | 175.3° | 177.5° |
| O41 | C4 | C5 | H5 | 62.3° | 57.5° |
| O4 | C4 | C5 | C6 | 53.9° | 57.7° |
| O4 | C4 | C5 | O5 | 61.1° | 62.3° |
| O4 | C4 | C5 | H5 | 176.5° | 177.7° |
| O4 | C4 | O41 | HO41 | 61.1° | 59.8° |
| C5 | C4 | O4 | HO4 | 58.7° | 60.3° |
| C4 | C5 | C6 | O5 | 120.3° | 120.0° |
| C4 | C5 | C6 | H5 | 117.6° | 119.9° |
| C4 | C5 | O5 | H5 | 117.5° | 119.9° |
| C4 | C5 | C6 | H6 | 180.0° | 59.9° |
| C4 | C5 | C6 | H6A | 60.0° | 180.0° |
| C4 | C5 | C6 | H6B | 60.0° | 60.1° |
| C5 | C4 | O41 | HO41 | 57.3° | 60.3° |
| C6 | C5 | O5 | H5 | 122.3° | 120.0° |
| C5 | C6 | H6 | H6A | 120.0° | 120.1° |
| C5 | C6 | H6 | H6B | 120.0° | 120.0° |
| C5 | C6 | H6A | H6B | 120.0° | 120.0° |
| O5 | C5 | C6 | H6 | 59.7° | 179.9° |
| O5 | C5 | C6 | H6A | 60.3° | 60.0° |
| O5 | C5 | C6 | H6B | 179.7° | 59.9° |
| H5 | C5 | C6 | H6 | 62.4° | 60.0° |
| H5 | C5 | C6 | H6A | 177.5° | 60.0° |
| H5 | C5 | C6 | H6B | 57.6° | NaN° |
| H6 | C6 | H6A | H6B | 120.0° | 119.9° |
| H3M | C3M | H3MA | H3MB | 120.0° | 120.0° |
