NOJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | N5 | sing | 1.47Å | 1.38Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | sing | 1.43Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | N5 | sing | 1.47Å | 1.41Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 1.01Å | 1.00Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | 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) |
| C2 | C1 | N5 | 117.6° | 109.5° |
| C2 | C1 | H11 | 106.9° | 109.4° |
| C2 | C1 | H12 | 106.9° | 109.5° |
| C1 | C2 | O2 | 108.2° | 109.5° |
| C1 | C2 | C3 | 115.1° | 109.3° |
| C1 | C2 | H2 | 105.8° | 109.5° |
| N5 | C1 | H11 | 106.8° | 109.5° |
| N5 | C1 | H12 | 106.8° | 109.5° |
| C1 | N5 | C5 | 124.0° | 111.2° |
| C1 | N5 | HN5 | 104.9° | 111.0° |
| H11 | C1 | H12 | 112.0° | 109.5° |
| O2 | C2 | C3 | 107.1° | 109.5° |
| O2 | C2 | H2 | 114.0° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C2 | H2 | 106.9° | 109.6° |
| C2 | C3 | O3 | 112.8° | 109.5° |
| C2 | C3 | C4 | 110.1° | 109.1° |
| C2 | C3 | H3 | 106.2° | 109.5° |
| O3 | C3 | C4 | 107.8° | 109.5° |
| O3 | C3 | H3 | 108.6° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 111.3° | 109.6° |
| C3 | C4 | O4 | 109.3° | 109.5° |
| C3 | C4 | C5 | 109.5° | 109.3° |
| C3 | C4 | H4 | 109.8° | 109.6° |
| O4 | C4 | C5 | 110.2° | 109.5° |
| O4 | C4 | H4 | 109.1° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 113.9° |
| C5 | C4 | H4 | 108.9° | 109.5° |
| C4 | C5 | N5 | 111.6° | 109.5° |
| C4 | C5 | C6 | 112.2° | 109.5° |
| C4 | C5 | H5 | 105.6° | 109.5° |
| N5 | C5 | C6 | 107.6° | 109.5° |
| N5 | C5 | H5 | 110.3° | 109.4° |
| C5 | N5 | HN5 | 104.9° | 111.0° |
| C6 | C5 | H5 | 109.7° | 109.5° |
| C5 | C6 | O6 | 109.9° | 109.4° |
| C5 | C6 | H61 | 109.3° | 109.4° |
| C5 | C6 | H62 | 109.3° | 109.5° |
| O6 | C6 | H61 | 109.3° | 109.5° |
| O6 | C6 | H62 | 109.3° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N5 | H11 | 120.0° | 120.0° |
| C2 | C1 | N5 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 116.7° | 120.0° |
| C1 | C2 | O2 | C3 | 124.6° | 119.8° |
| C1 | C2 | O2 | H2 | 117.4° | 120.1° |
| C1 | C2 | C3 | H2 | 117.2° | 120.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | O3 | 161.7° | 177.6° |
| C1 | C2 | C3 | C4 | 41.1° | 57.7° |
| C1 | C2 | C3 | H3 | 79.5° | 62.3° |
| C2 | C1 | N5 | C5 | 22.5° | 61.7° |
| C2 | C1 | N5 | HN5 | 97.5° | 62.3° |
| N5 | C1 | H11 | H12 | 116.6° | 120.0° |
| N5 | C1 | C2 | O2 | 142.4° | 179.1° |
| N5 | C1 | C2 | C3 | 22.7° | 59.2° |
| N5 | C1 | C2 | H2 | 95.1° | 60.8° |
| C1 | N5 | C5 | C4 | 39.5° | 61.7° |
| C1 | N5 | C5 | HN5 | 120.0° | 124.0° |
| C1 | N5 | C5 | C6 | 162.9° | 178.2° |
| C1 | N5 | C5 | H5 | 77.5° | 58.3° |
| H11 | C1 | C2 | O2 | 97.6° | 60.9° |
| H11 | C1 | C2 | C3 | 142.7° | 179.2° |
| H11 | C1 | C2 | H2 | 24.9° | 59.2° |
| H11 | C1 | N5 | C5 | 142.5° | 178.3° |
| H11 | C1 | N5 | HN5 | 22.5° | 57.6° |
| H12 | C1 | C2 | O2 | 22.4° | 59.1° |
| H12 | C1 | C2 | C3 | 97.3° | 60.8° |
| H12 | C1 | C2 | H2 | 144.9° | 179.2° |
| H12 | C1 | N5 | C5 | 97.5° | 58.3° |
| H12 | C1 | N5 | HN5 | 142.5° | 177.6° |
| O2 | C2 | C3 | H2 | 122.5° | 120.1° |
| O2 | C2 | C3 | O3 | 78.0° | 62.5° |
| O2 | C2 | C3 | C4 | 161.4° | 177.6° |
| O2 | C2 | C3 | H3 | 40.8° | 57.6° |
| C3 | C2 | O2 | HO2 | 55.4° | 179.8° |
| C2 | C3 | O3 | C4 | 121.9° | 119.6° |
| C2 | C3 | O3 | H3 | 117.4° | 120.1° |
| C2 | C3 | C4 | H3 | 117.5° | 120.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | O4 | 178.2° | 177.6° |
| C2 | C3 | C4 | C5 | 57.5° | 57.7° |
| C2 | C3 | C4 | H4 | 62.1° | 62.3° |
| H2 | C2 | O2 | HO2 | 62.6° | 60.1° |
| H2 | C2 | C3 | O3 | 44.5° | 57.6° |
| H2 | C2 | C3 | C4 | 76.1° | 62.3° |
| H2 | C2 | C3 | H3 | 163.3° | 177.7° |
| O3 | C3 | C4 | H3 | 119.0° | 120.2° |
| O3 | C3 | C4 | O4 | 58.3° | 62.5° |
| O3 | C3 | C4 | C5 | 179.0° | 177.6° |
| O3 | C3 | C4 | H4 | 61.4° | 57.6° |
| C4 | C3 | O3 | HO3 | 58.1° | 179.6° |
| C3 | C4 | O4 | C5 | 120.3° | 119.8° |
| C3 | C4 | O4 | H4 | 120.1° | 120.1° |
| C3 | C4 | C5 | H4 | 120.1° | 120.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | N5 | 55.9° | 59.2° |
| C3 | C4 | C5 | C6 | 176.8° | 179.2° |
| C3 | C4 | C5 | H5 | 63.9° | 60.8° |
| H3 | C3 | O3 | HO3 | 62.6° | 60.2° |
| H3 | C3 | C4 | O4 | 60.7° | 57.6° |
| H3 | C3 | C4 | C5 | 60.0° | 62.3° |
| H3 | C3 | C4 | H4 | 179.6° | 177.7° |
| O4 | C4 | C5 | H4 | 119.7° | 120.1° |
| O4 | C4 | C5 | N5 | 176.1° | 179.1° |
| O4 | C4 | C5 | C6 | 63.0° | 60.9° |
| O4 | C4 | C5 | H5 | 56.3° | 59.1° |
| C5 | C4 | O4 | HO4 | 59.7° | 179.8° |
| C4 | C5 | N5 | C6 | 123.4° | 120.0° |
| C4 | C5 | N5 | H5 | 117.0° | 120.0° |
| C4 | C5 | C6 | H5 | 116.9° | 120.0° |
| C4 | C5 | N5 | HN5 | 80.5° | 62.3° |
| C4 | C5 | C6 | O6 | 127.2° | 175.0° |
| C4 | C5 | C6 | H61 | 7.2° | 55.0° |
| C4 | C5 | C6 | H62 | 112.8° | 65.0° |
| H4 | C4 | O4 | HO4 | 59.9° | 60.1° |
| H4 | C4 | C5 | N5 | 64.2° | 60.8° |
| H4 | C4 | C5 | C6 | 56.6° | 59.2° |
| H4 | C4 | C5 | H5 | 176.0° | 179.2° |
| N5 | C5 | C6 | H5 | 120.0° | 119.9° |
| N5 | C5 | C6 | O6 | 109.7° | 64.9° |
| N5 | C5 | C6 | H61 | 130.3° | 175.1° |
| N5 | C5 | C6 | H62 | 10.3° | 55.1° |
| C6 | C5 | N5 | HN5 | 42.9° | 57.7° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H62 | 119.8° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| H5 | C5 | N5 | HN5 | 162.5° | 177.7° |
| H5 | C5 | C6 | O6 | 10.3° | 55.0° |
| H5 | C5 | C6 | H61 | 109.7° | 65.0° |
| H5 | C5 | C6 | H62 | 130.3° | 175.0° |
| O6 | C6 | H61 | H62 | 119.8° | 120.1° |
| H61 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.0° | 60.0° |
