DGJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C1 | sing | 1.47Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| O3 | C3 | sing | 1.43Å | 1.44Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | C4 | sing | 1.43Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | N5 | sing | 1.47Å | 1.46Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 1.01Å | 1.00Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C1 | C2 | 107.3° | 109.5° |
| N5 | C1 | H1 | 110.2° | 109.5° |
| N5 | C1 | H1A | 110.2° | 109.5° |
| C1 | N5 | C5 | 120.6° | 111.2° |
| C1 | N5 | HN5 | 105.9° | 111.1° |
| C2 | C1 | H1 | 110.2° | 109.4° |
| C2 | C1 | H1A | 110.2° | 109.4° |
| C1 | C2 | C3 | 110.0° | 109.3° |
| C1 | C2 | O2 | 110.7° | 109.5° |
| C1 | C2 | H2 | 108.9° | 109.5° |
| H1 | C1 | H1A | 108.7° | 109.5° |
| C3 | C2 | O2 | 111.0° | 109.5° |
| C3 | C2 | H2 | 108.5° | 109.5° |
| C2 | C3 | C4 | 109.4° | 109.2° |
| C2 | C3 | O3 | 110.1° | 109.6° |
| C2 | C3 | H3 | 109.6° | 109.5° |
| O2 | C2 | H2 | 107.8° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C4 | C3 | O3 | 110.9° | 109.6° |
| C4 | C3 | H3 | 108.8° | 109.5° |
| C3 | C4 | O4 | 110.3° | 109.5° |
| C3 | C4 | C5 | 110.1° | 109.3° |
| C3 | C4 | H4 | 109.2° | 109.5° |
| O3 | C3 | H3 | 108.1° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.1° |
| O4 | C4 | C5 | 111.5° | 109.5° |
| O4 | C4 | H4 | 107.7° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | H4 | 108.0° | 109.5° |
| C4 | C5 | C6 | 110.8° | 109.5° |
| C4 | C5 | N5 | 112.3° | 109.5° |
| C4 | C5 | H5 | 106.5° | 109.5° |
| C6 | C5 | N5 | 109.1° | 109.4° |
| C6 | C5 | H5 | 109.9° | 109.4° |
| C5 | C6 | O6 | 108.5° | 109.5° |
| C5 | C6 | H6 | 109.8° | 109.4° |
| C5 | C6 | H6A | 109.8° | 109.5° |
| N5 | C5 | H5 | 108.3° | 109.4° |
| C5 | N5 | HN5 | 106.0° | 111.0° |
| O6 | C6 | H6 | 109.8° | 109.4° |
| O6 | C6 | H6A | 109.8° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H6 | C6 | H6A | 109.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C1 | C2 | H1 | 120.0° | 120.0° |
| N5 | C1 | C2 | H1A | 120.0° | 120.0° |
| N5 | C1 | H1 | H1A | 120.9° | 120.0° |
| N5 | C1 | C2 | C3 | 57.5° | 59.2° |
| N5 | C1 | C2 | O2 | 179.5° | 179.1° |
| N5 | C1 | C2 | H2 | 61.3° | 60.8° |
| C1 | N5 | C5 | C4 | 46.9° | 61.8° |
| C1 | N5 | C5 | C6 | 170.0° | 178.2° |
| C1 | N5 | C5 | HN5 | 120.0° | 124.2° |
| C1 | N5 | C5 | H5 | 70.4° | 58.3° |
| C2 | C1 | H1 | H1A | 120.9° | 119.9° |
| C1 | C2 | C3 | O2 | 122.8° | 120.0° |
| C1 | C2 | C3 | H2 | 119.0° | 119.9° |
| C1 | C2 | O2 | H2 | 118.9° | 120.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | C4 | 63.4° | 57.6° |
| C1 | C2 | C3 | O3 | 174.5° | 177.6° |
| C1 | C2 | C3 | H3 | 55.8° | 62.2° |
| C2 | C1 | N5 | C5 | 51.3° | 61.8° |
| C2 | C1 | N5 | HN5 | 68.7° | 62.4° |
| H1 | C1 | C2 | C3 | 62.5° | 179.2° |
| H1 | C1 | C2 | O2 | 60.5° | 60.8° |
| H1 | C1 | C2 | H2 | 178.7° | 59.2° |
| H1 | C1 | N5 | C5 | 68.7° | 178.2° |
| H1 | C1 | N5 | HN5 | 171.3° | 57.6° |
| H1A | C1 | C2 | C3 | 177.5° | 60.9° |
| H1A | C1 | C2 | O2 | 59.5° | 59.1° |
| H1A | C1 | C2 | H2 | 58.7° | 179.2° |
| H1A | C1 | N5 | C5 | 171.3° | 58.2° |
| H1A | C1 | N5 | HN5 | 51.3° | 177.6° |
| C3 | C2 | O2 | H2 | 118.7° | 120.1° |
| C3 | C2 | O2 | HO2 | 57.6° | 179.9° |
| C2 | C3 | C4 | O3 | 121.6° | 120.0° |
| C2 | C3 | C4 | H3 | 119.7° | 119.8° |
| C2 | C3 | O3 | H3 | 119.7° | 120.1° |
| C2 | C3 | O3 | HO3 | 180.0° | 59.9° |
| C2 | C3 | C4 | O4 | 67.1° | 62.3° |
| C2 | C3 | C4 | C5 | 56.4° | 57.6° |
| C2 | C3 | C4 | H4 | 174.7° | 177.6° |
| O2 | C2 | C3 | C4 | 173.8° | 177.6° |
| O2 | C2 | C3 | O3 | 51.7° | 62.4° |
| O2 | C2 | C3 | H3 | 67.0° | 57.7° |
| H2 | C2 | O2 | HO2 | 61.1° | 60.0° |
| H2 | C2 | C3 | C4 | 55.6° | 62.3° |
| H2 | C2 | C3 | O3 | 66.5° | 57.7° |
| H2 | C2 | C3 | H3 | 174.8° | 177.8° |
| C4 | C3 | O3 | H3 | 119.1° | 120.1° |
| C4 | C3 | O3 | HO3 | 58.8° | 179.7° |
| C3 | C4 | O4 | C5 | 122.6° | 119.8° |
| C3 | C4 | O4 | H4 | 119.1° | 120.1° |
| C3 | C4 | C5 | H4 | 119.1° | 120.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | C6 | 168.6° | 179.2° |
| C3 | C4 | C5 | N5 | 46.4° | 59.2° |
| C3 | C4 | C5 | H5 | 71.9° | 60.8° |
| O3 | C3 | C4 | O4 | 54.5° | 57.7° |
| O3 | C3 | C4 | C5 | 178.0° | 177.6° |
| O3 | C3 | C4 | H4 | 63.7° | 62.4° |
| H3 | C3 | O3 | HO3 | 60.3° | 60.2° |
| H3 | C3 | C4 | O4 | 173.3° | 177.9° |
| H3 | C3 | C4 | C5 | 63.3° | 62.2° |
| H3 | C3 | C4 | H4 | 55.0° | 57.7° |
| O4 | C4 | C5 | H4 | 118.2° | 120.1° |
| O4 | C4 | C5 | C6 | 45.9° | 59.2° |
| O4 | C4 | C5 | N5 | 76.3° | 60.7° |
| O4 | C4 | C5 | H5 | 165.3° | 179.2° |
| C5 | C4 | O4 | HO4 | 57.4° | 179.8° |
| C4 | C5 | C6 | N5 | 124.1° | 120.0° |
| C4 | C5 | C6 | H5 | 117.4° | 120.1° |
| C4 | C5 | N5 | H5 | 117.3° | 120.1° |
| C4 | C5 | N5 | HN5 | 73.1° | 62.4° |
| C4 | C5 | C6 | O6 | 171.2° | 175.0° |
| C4 | C5 | C6 | H6 | 51.2° | 55.0° |
| C4 | C5 | C6 | H6A | 68.8° | 65.0° |
| H4 | C4 | O4 | HO4 | 60.9° | 60.1° |
| H4 | C4 | C5 | C6 | 72.3° | 60.9° |
| H4 | C4 | C5 | N5 | 165.5° | 179.2° |
| H4 | C4 | C5 | H5 | 47.2° | 59.1° |
| C6 | C5 | N5 | H5 | 119.5° | 119.9° |
| C6 | C5 | N5 | HN5 | 50.1° | 57.6° |
| C5 | C6 | O6 | H6 | 120.0° | 120.0° |
| C5 | C6 | O6 | H6A | 120.0° | 120.1° |
| C5 | C6 | H6 | H6A | 120.4° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 179.9° |
| N5 | C5 | C6 | O6 | 64.7° | 65.0° |
| N5 | C5 | C6 | H6 | 175.2° | 175.0° |
| N5 | C5 | C6 | H6A | 55.3° | 55.1° |
| H5 | C5 | N5 | HN5 | 169.6° | 177.5° |
| H5 | C5 | C6 | O6 | 53.8° | 54.9° |
| H5 | C5 | C6 | H6 | 66.2° | 65.0° |
| H5 | C5 | C6 | H6A | 173.9° | 175.0° |
| O6 | C6 | H6 | H6A | 120.4° | 120.0° |
| H6 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H6A | C6 | O6 | HO6 | 60.0° | 60.0° |
