ARJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N3 | doub | 1.32Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.36Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.34Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.34Å | Aromatic |
| C6 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.35Å | |
| O2' | C2' | sing | 1.43Å | 1.44Å | |
| C2' | C3D | sing | 1.52Å | 1.39Å | |
| C2' | C1' | sing | 1.55Å | 1.55Å | |
| C3D | O3D | doub | 1.21Å | 1.22Å | |
| C3D | C4' | sing | 1.51Å | 1.39Å | |
| C4' | C6' | sing | 1.53Å | 1.57Å | |
| C4' | C5' | sing | 1.54Å | 1.50Å | |
| C6' | O6' | sing | 1.43Å | 1.50Å | |
| C5' | C1' | sing | 1.55Å | 1.53Å | |
| C1' | N9 | sing | 1.46Å | 1.46Å | |
| N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C6' | H6' | sing | 1.09Å | 1.10Å | |
| C6' | H6A' | sing | 1.09Å | 1.10Å | |
| O6' | HO6' | sing | 0.97Å | 0.95Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5A' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C2 | N1 | 114.9° | 122.5° |
| C2 | N3 | C4 | 122.4° | 120.6° |
| N3 | C2 | H2 | 122.5° | 118.8° |
| C2 | N1 | C6 | 121.8° | 121.2° |
| N1 | C2 | H2 | 122.6° | 118.8° |
| C5 | C4 | N9 | 108.0° | 106.0° |
| C5 | C4 | N3 | 120.8° | 119.1° |
| C4 | C5 | C6 | 119.8° | 118.1° |
| C4 | C5 | N7 | 106.9° | 107.2° |
| N9 | C4 | N3 | 131.2° | 134.9° |
| C4 | N9 | C1' | 122.5° | 126.3° |
| C4 | N9 | C8 | 107.7° | 107.4° |
| C6 | C5 | N7 | 133.2° | 134.7° |
| C5 | C6 | N1 | 120.4° | 118.4° |
| C5 | C6 | N6 | 117.4° | 120.7° |
| C5 | N7 | C8 | 108.7° | 109.4° |
| N1 | C6 | N6 | 122.2° | 120.8° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| O2' | C2' | C3D | 104.3° | 110.4° |
| O2' | C2' | C1' | 110.7° | 110.4° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| O2' | C2' | H2' | 109.3° | 110.4° |
| C3D | C2' | C1' | 100.0° | 104.4° |
| C2' | C3D | O3D | 120.3° | 126.4° |
| C2' | C3D | C4' | 112.4° | 107.3° |
| C3D | C2' | H2' | 118.8° | 110.4° |
| C2' | C1' | C5' | 99.5° | 102.3° |
| C2' | C1' | N9 | 114.7° | 110.8° |
| C1' | C2' | H2' | 113.1° | 110.5° |
| C2' | C1' | H1' | 112.5° | 110.9° |
| O3D | C3D | C4' | 125.8° | 126.3° |
| C3D | C4' | C6' | 120.4° | 110.0° |
| C3D | C4' | C5' | 104.7° | 106.9° |
| C3D | C4' | H4' | 106.2° | 109.9° |
| C6' | C4' | C5' | 111.6° | 110.0° |
| C4' | C6' | O6' | 104.3° | 109.5° |
| C6' | C4' | H4' | 98.4° | 110.0° |
| C4' | C6' | H6' | 111.2° | 109.5° |
| C4' | C6' | H6A' | 112.3° | 109.5° |
| C4' | C5' | C1' | 95.1° | 103.8° |
| C5' | C4' | H4' | 116.0° | 110.0° |
| C4' | C5' | H5' | 114.6° | 110.6° |
| C4' | C5' | H5A' | 117.4° | 110.6° |
| O6' | C6' | H6' | 111.3° | 109.4° |
| O6' | C6' | H6A' | 112.3° | 109.5° |
| C6' | O6' | HO6' | 109.5° | 114.0° |
| C5' | C1' | N9 | 109.0° | 110.8° |
| C1' | C5' | H5' | 114.6° | 110.6° |
| C1' | C5' | H5A' | 117.4° | 110.5° |
| C5' | C1' | H1' | 117.9° | 110.8° |
| C1' | N9 | C8 | 129.4° | 126.3° |
| N9 | C1' | H1' | 103.6° | 110.9° |
| N9 | C8 | N7 | 108.3° | 110.0° |
| N9 | C8 | H8 | 125.8° | 125.0° |
| N7 | C8 | H8 | 125.8° | 124.9° |
| H6' | C6' | H6A' | 105.5° | 109.5° |
| H5' | C5' | H5A' | 99.0° | 110.6° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C2 | N1 | H2 | 180.0° | 179.8° |
| C2 | N3 | C4 | C5 | 1.1° | 0.0° |
| C2 | N3 | C4 | N9 | 175.9° | 180.0° |
| N3 | C2 | N1 | C6 | 1.0° | 0.0° |
| N1 | C2 | N3 | C4 | 2.0° | 0.0° |
| C2 | N1 | C6 | C5 | 0.8° | 0.0° |
| C2 | N1 | C6 | N6 | 178.5° | 180.0° |
| C5 | C4 | N9 | N3 | 177.4° | 180.0° |
| C4 | C5 | C6 | N7 | 178.0° | 180.0° |
| C4 | C5 | C6 | N1 | 1.7° | 0.0° |
| C4 | C5 | C6 | N6 | 179.5° | 180.0° |
| C5 | C4 | N9 | C1' | 178.6° | 180.0° |
| C5 | C4 | N9 | C8 | 5.2° | 0.0° |
| C4 | C5 | N7 | C8 | 0.3° | 0.0° |
| N9 | C4 | C5 | C6 | 178.5° | 180.0° |
| N9 | C4 | C5 | N7 | 3.1° | 0.0° |
| C4 | N9 | C1' | C2' | 135.7° | 121.4° |
| C4 | N9 | C1' | C5' | 113.8° | 125.7° |
| C4 | N9 | C1' | C8 | 171.8° | 179.9° |
| C4 | N9 | C8 | N7 | 5.4° | 0.0° |
| C4 | N9 | C1' | H1' | 12.6° | 2.2° |
| C4 | N9 | C8 | H8 | 174.5° | 180.0° |
| N3 | C4 | C5 | C6 | 0.8° | 0.0° |
| N3 | C4 | C5 | N7 | 179.2° | 180.0° |
| N3 | C4 | N9 | C1' | 4.1° | 0.0° |
| N3 | C4 | N9 | C8 | 177.4° | 180.0° |
| C4 | N3 | C2 | H2 | 178.1° | 179.7° |
| C5 | C6 | N1 | N6 | 177.7° | 180.0° |
| C6 | C5 | N7 | C8 | 177.9° | 180.0° |
| C5 | C6 | N6 | HN6 | 111.5° | 0.0° |
| C5 | C6 | N6 | HN6A | 8.5° | 180.0° |
| N7 | C5 | C6 | N1 | 179.6° | 180.0° |
| N7 | C5 | C6 | N6 | 2.5° | 0.1° |
| C5 | N7 | C8 | N9 | 3.5° | 0.0° |
| C5 | N7 | C8 | H8 | 176.4° | 180.0° |
| C6 | N1 | C2 | H2 | 179.0° | 179.7° |
| N1 | C6 | N6 | HN6 | 70.7° | 180.0° |
| N1 | C6 | N6 | HN6A | 169.3° | 0.1° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| O2' | C2' | C3D | C1' | 114.6° | 118.7° |
| O2' | C2' | C3D | H2' | 122.0° | 122.4° |
| O2' | C2' | C1' | H2' | 123.1° | 122.5° |
| O2' | C2' | C3D | O3D | 36.4° | 37.5° |
| O2' | C2' | C3D | C4' | 130.3° | 142.5° |
| O2' | C2' | C1' | C5' | 151.8° | 156.3° |
| O2' | C2' | C1' | N9 | 92.1° | 85.4° |
| O2' | C2' | C1' | H1' | 26.1° | 38.1° |
| C3D | C2' | C1' | H2' | 127.4° | 118.8° |
| C2' | C3D | O3D | C4' | 164.9° | 179.9° |
| C2' | C3D | C4' | C6' | 144.2° | 119.0° |
| C2' | C3D | C4' | C5' | 17.6° | 0.4° |
| C3D | C2' | C1' | C5' | 42.3° | 37.6° |
| C3D | C2' | C1' | N9 | 158.4° | 155.8° |
| C3D | C2' | O2' | HO2' | 133.9° | 61.5° |
| C2' | C3D | C4' | H4' | 105.6° | 119.7° |
| C3D | C2' | C1' | H1' | 83.4° | 80.6° |
| C1' | C2' | C3D | O3D | 151.0° | 156.3° |
| C1' | C2' | C3D | C4' | 15.8° | 23.8° |
| C2' | C1' | C5' | C4' | 50.7° | 37.1° |
| C2' | C1' | C5' | N9 | 120.4° | 118.2° |
| C2' | C1' | C5' | H1' | 121.9° | 118.2° |
| C2' | C1' | N9 | H1' | 123.1° | 123.6° |
| C2' | C1' | N9 | C8 | 52.6° | 58.5° |
| C1' | C2' | O2' | HO2' | 119.4° | 176.5° |
| C2' | C1' | C5' | H5' | 170.7° | 155.7° |
| C2' | C1' | C5' | H5A' | 73.8° | 81.5° |
| O3D | C3D | C4' | C6' | 49.9° | 61.0° |
| O3D | C3D | C4' | C5' | 176.5° | 179.7° |
| O3D | C3D | C2' | H2' | 85.5° | 84.9° |
| O3D | C3D | C4' | H4' | 60.4° | 60.3° |
| C3D | C4' | C6' | C5' | 123.3° | 117.4° |
| C3D | C4' | C6' | H4' | 114.4° | 121.3° |
| C3D | C4' | C5' | H4' | 116.6° | 119.3° |
| C3D | C4' | C6' | O6' | 140.0° | 66.4° |
| C3D | C4' | C5' | C1' | 42.6° | 23.1° |
| C4' | C3D | C2' | H2' | 107.7° | 95.0° |
| C3D | C4' | C6' | H6' | 20.0° | 53.5° |
| C3D | C4' | C6' | H6A' | 98.1° | 173.6° |
| C3D | C4' | C5' | H5' | 162.6° | 141.7° |
| C3D | C4' | C5' | H5A' | 81.9° | 95.4° |
| C6' | C4' | C5' | H4' | 111.6° | 121.3° |
| C4' | C6' | O6' | H6' | 120.0° | 120.0° |
| C4' | C6' | O6' | H6A' | 121.9° | 120.0° |
| C6' | C4' | C5' | C1' | 174.4° | 142.5° |
| C4' | C6' | H6' | H6A' | 122.1° | 120.1° |
| C4' | C6' | O6' | HO6' | 79.6° | 180.0° |
| C6' | C4' | C5' | H5' | 65.6° | 98.9° |
| C6' | C4' | C5' | H5A' | 49.9° | 23.9° |
| C5' | C4' | C6' | O6' | 96.8° | 176.1° |
| C4' | C5' | C1' | H5' | 120.0° | 118.6° |
| C4' | C5' | C1' | H5A' | 124.5° | 118.6° |
| C4' | C5' | C1' | N9 | 171.1° | 155.3° |
| C5' | C4' | C6' | H6' | 143.2° | 63.9° |
| C5' | C4' | C6' | H6A' | 25.2° | 56.1° |
| C4' | C5' | H5' | H5A' | 125.8° | 122.9° |
| C4' | C5' | C1' | H1' | 71.2° | 81.2° |
| O6' | C6' | C4' | H4' | 25.5° | 54.8° |
| O6' | C6' | H6' | H6A' | 122.1° | 120.0° |
| C5' | C1' | N9 | H1' | 126.4° | 123.5° |
| C5' | C1' | N9 | C8 | 57.9° | 54.4° |
| C5' | C1' | C2' | H2' | 85.1° | 81.2° |
| C1' | C5' | C4' | H4' | 74.0° | 96.2° |
| C1' | C5' | H5' | H5A' | 125.8° | 122.7° |
| C1' | N9 | C8 | N7 | 178.2° | 180.0° |
| N9 | C1' | C2' | H2' | 31.1° | 37.0° |
| N9 | C1' | C5' | H5' | 68.9° | 86.1° |
| N9 | C1' | C5' | H5A' | 46.6° | 36.7° |
| C1' | N9 | C8 | H8 | 1.8° | 0.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C8 | N9 | C1' | H1' | 175.6° | 177.9° |
| HO2' | O2' | C2' | H2' | 5.9° | 61.0° |
| H2' | C2' | C1' | H1' | 149.2° | 160.6° |
| H4' | C4' | C6' | H6' | 94.5° | 174.8° |
| H4' | C4' | C6' | H6A' | 147.5° | 65.2° |
| H4' | C4' | C5' | H5' | 45.9° | 22.4° |
| H4' | C4' | C5' | H5A' | 161.5° | 145.2° |
| H6' | C6' | O6' | HO6' | 40.4° | 60.0° |
| H6A' | C6' | O6' | HO6' | 158.4° | 59.9° |
| H5' | C5' | C1' | H1' | 48.8° | 37.5° |
| H5A' | C5' | C1' | H1' | 164.3° | 160.2° |
