DAG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.08Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | H2 | sing | 1.09Å | 1.09Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | H3 | sing | 1.09Å | 1.09Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | N4 | sing | 1.47Å | 1.47Å | |
| C4 | H4 | sing | 1.09Å | 1.09Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | H5 | sing | 1.09Å | 1.09Å | |
| C6 | H61 | sing | 1.09Å | 1.09Å | |
| C6 | H62 | sing | 1.09Å | 1.09Å | |
| C6 | H63 | sing | 1.09Å | 1.09Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.96Å | |
| N4 | HN41 | sing | 1.01Å | 1.02Å | |
| N4 | HN42 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 111.3° | 109.4° |
| C2 | C1 | O5 | 110.1° | 109.8° |
| C2 | C1 | H1 | 107.8° | 109.4° |
| C1 | C2 | C3 | 111.3° | 109.1° |
| C1 | C2 | O2 | 108.3° | 109.6° |
| C1 | C2 | H2 | 108.6° | 109.6° |
| O1 | C1 | O5 | 109.2° | 109.4° |
| O1 | C1 | H1 | 107.8° | 109.4° |
| C1 | O1 | HO1 | 111.3° | 106.8° |
| O5 | C1 | H1 | 110.7° | 109.4° |
| C1 | O5 | C5 | 116.0° | 107.6° |
| C3 | C2 | O2 | 109.2° | 109.6° |
| C3 | C2 | H2 | 108.6° | 109.5° |
| C2 | C3 | C4 | 111.7° | 108.6° |
| C2 | C3 | O3 | 112.1° | 109.7° |
| C2 | C3 | H3 | 106.9° | 109.6° |
| O2 | C2 | H2 | 110.8° | 109.5° |
| C2 | O2 | HO2 | 108.3° | 106.8° |
| C4 | C3 | O3 | 109.6° | 109.8° |
| C4 | C3 | H3 | 107.7° | 109.6° |
| C3 | C4 | C5 | 109.8° | 109.0° |
| C3 | C4 | N4 | 110.9° | 109.6° |
| C3 | C4 | H4 | 106.6° | 109.5° |
| O3 | C3 | H3 | 108.8° | 109.5° |
| C3 | O3 | HO3 | 109.0° | 106.8° |
| C5 | C4 | N4 | 115.0° | 109.6° |
| C5 | C4 | H4 | 107.6° | 109.6° |
| C4 | C5 | C6 | 112.4° | 109.4° |
| C4 | C5 | O5 | 107.0° | 109.8° |
| C4 | C5 | H5 | 110.7° | 109.3° |
| N4 | C4 | H4 | 106.4° | 109.5° |
| C4 | N4 | HN41 | 107.9° | 106.8° |
| C4 | N4 | HN42 | 111.7° | 106.6° |
| C6 | C5 | O5 | 108.6° | 109.5° |
| C6 | C5 | H5 | 108.2° | 109.4° |
| C5 | C6 | H61 | 111.9° | 109.5° |
| C5 | C6 | H62 | 111.3° | 109.5° |
| C5 | C6 | H63 | 111.4° | 109.4° |
| O5 | C5 | H5 | 110.0° | 109.4° |
| H61 | C6 | H62 | 107.9° | 109.6° |
| H61 | C6 | H63 | 107.1° | 109.4° |
| H62 | C6 | H63 | 107.1° | 109.4° |
| HN41 | N4 | HN42 | 7.6° | 106.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O5 | 121.7° | 120.4° |
| C2 | C1 | O1 | H1 | 117.9° | 119.8° |
| C2 | C1 | O5 | H1 | 119.0° | 120.1° |
| C1 | C2 | C3 | O2 | 119.6° | 120.0° |
| C1 | C2 | C3 | H2 | 119.5° | 119.9° |
| C1 | C2 | O2 | H2 | 119.0° | 120.2° |
| C1 | C2 | C3 | C4 | 46.6° | 53.7° |
| C1 | C2 | C3 | O3 | 170.0° | 173.7° |
| C1 | C2 | C3 | H3 | 70.9° | 66.0° |
| C2 | C1 | O5 | C5 | 61.0° | 67.5° |
| C2 | C1 | O1 | HO1 | 180.0° | 179.8° |
| C1 | C2 | O2 | HO2 | 180.0° | 59.9° |
| O1 | C1 | O5 | H1 | 118.5° | 119.8° |
| O1 | C1 | C2 | C3 | 169.3° | 178.7° |
| O1 | C1 | C2 | O2 | 70.6° | 58.7° |
| O1 | C1 | C2 | H2 | 49.8° | 61.5° |
| O1 | C1 | O5 | C5 | 176.6° | 172.4° |
| O5 | C1 | C2 | C3 | 48.1° | 61.2° |
| O5 | C1 | C2 | O2 | 168.2° | 178.8° |
| O5 | C1 | C2 | H2 | 71.4° | 58.6° |
| C1 | O5 | C5 | C4 | 66.2° | 67.5° |
| C1 | O5 | C5 | C6 | 172.2° | 172.3° |
| C1 | O5 | C5 | H5 | 54.1° | 52.5° |
| O5 | C1 | O1 | HO1 | 58.3° | 59.9° |
| H1 | C1 | C2 | C3 | 72.7° | 58.9° |
| H1 | C1 | C2 | O2 | 47.4° | 61.1° |
| H1 | C1 | C2 | H2 | 167.7° | 178.7° |
| H1 | C1 | O5 | C5 | 58.1° | 52.5° |
| H1 | C1 | O1 | HO1 | 62.1° | 60.0° |
| C3 | C2 | O2 | H2 | 119.6° | 120.1° |
| C2 | C3 | C4 | O3 | 124.8° | 119.9° |
| C2 | C3 | C4 | H3 | 117.0° | 119.7° |
| C2 | C3 | O3 | H3 | 117.9° | 120.3° |
| C2 | C3 | C4 | C5 | 52.3° | 53.7° |
| C2 | C3 | C4 | N4 | 179.4° | 173.7° |
| C2 | C3 | C4 | H4 | 64.0° | 66.2° |
| C3 | C2 | O2 | HO2 | 58.5° | 179.6° |
| C2 | C3 | O3 | HO3 | 170.6° | 60.0° |
| O2 | C2 | C3 | C4 | 166.2° | 173.7° |
| O2 | C2 | C3 | O3 | 70.4° | 66.3° |
| O2 | C2 | C3 | H3 | 48.7° | 54.0° |
| H2 | C2 | C3 | C4 | 72.9° | 66.2° |
| H2 | C2 | C3 | O3 | 50.5° | 53.8° |
| H2 | C2 | C3 | H3 | 169.6° | 174.1° |
| H2 | C2 | O2 | HO2 | 61.1° | 60.3° |
| C4 | C3 | O3 | H3 | 117.5° | 120.4° |
| C3 | C4 | C5 | N4 | 125.9° | 120.0° |
| C3 | C4 | C5 | H4 | 115.7° | 119.8° |
| C3 | C4 | N4 | H4 | 115.6° | 120.2° |
| C3 | C4 | C5 | C6 | 178.2° | 178.6° |
| C3 | C4 | C5 | O5 | 59.1° | 61.2° |
| C3 | C4 | C5 | H5 | 60.7° | 58.8° |
| C4 | C3 | O3 | HO3 | 64.9° | 179.3° |
| C3 | C4 | N4 | HN41 | 61.6° | 180.0° |
| C3 | C4 | N4 | HN42 | 54.7° | 66.3° |
| O3 | C3 | C4 | C5 | 177.1° | 173.6° |
| O3 | C3 | C4 | N4 | 54.6° | 66.4° |
| O3 | C3 | C4 | H4 | 60.8° | 53.8° |
| H3 | C3 | C4 | C5 | 64.7° | 66.0° |
| H3 | C3 | C4 | N4 | 63.6° | 54.0° |
| H3 | C3 | C4 | H4 | 179.0° | 174.1° |
| H3 | C3 | O3 | HO3 | 52.6° | 60.3° |
| C5 | C4 | N4 | H4 | 119.0° | 120.2° |
| C4 | C5 | C6 | O5 | 118.2° | 120.4° |
| C4 | C5 | C6 | H5 | 122.5° | 119.7° |
| C4 | C5 | O5 | H5 | 120.3° | 120.0° |
| C4 | C5 | C6 | H61 | 54.3° | 179.9° |
| C4 | C5 | C6 | H62 | 175.1° | 59.8° |
| C4 | C5 | C6 | H63 | 65.4° | 60.2° |
| C5 | C4 | N4 | HN41 | 173.0° | 60.3° |
| C5 | C4 | N4 | HN42 | 180.0° | 53.4° |
| N4 | C4 | C5 | C6 | 55.8° | 58.6° |
| N4 | C4 | C5 | O5 | 174.9° | 178.8° |
| N4 | C4 | C5 | H5 | 65.3° | 61.2° |
| C4 | N4 | HN41 | HN42 | 121.0° | 113.7° |
| H4 | C4 | C5 | C6 | 62.6° | 61.6° |
| H4 | C4 | C5 | O5 | 56.5° | 58.6° |
| H4 | C4 | C5 | H5 | 176.4° | 178.6° |
| H4 | C4 | N4 | HN41 | 53.9° | 59.9° |
| H4 | C4 | N4 | HN42 | 60.9° | 173.6° |
| C6 | C5 | O5 | H5 | 118.2° | 119.8° |
| C5 | C6 | H61 | H62 | 122.7° | 120.2° |
| C5 | C6 | H61 | H63 | 122.3° | 119.9° |
| C5 | C6 | H62 | H63 | 122.0° | 120.0° |
| O5 | C5 | C6 | H61 | 63.9° | 59.7° |
| O5 | C5 | C6 | H62 | 56.9° | 179.9° |
| O5 | C5 | C6 | H63 | 176.3° | 60.2° |
| H5 | C5 | C6 | H61 | 176.8° | 60.2° |
| H5 | C5 | C6 | H62 | 62.4° | 60.0° |
| H5 | C5 | C6 | H63 | 57.0° | 180.0° |
| H61 | C6 | H62 | H63 | 114.9° | 119.9° |
