8OD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.33Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.37Å | Aromatic |
| C4 | N9 | sing | 1.38Å | 1.40Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | N7 | sing | 1.39Å | 1.45Å | |
| C6 | N6 | sing | 1.39Å | 1.40Å | |
| N7 | C8 | sing | 1.35Å | 1.41Å | |
| C8 | O8 | doub | 1.22Å | 1.25Å | |
| C8 | N9 | sing | 1.35Å | 1.42Å | |
| N9 | C1' | sing | 1.46Å | 1.47Å | |
| PA | O1A | doub | 1.48Å | 1.51Å | |
| PA | O2A | sing | 1.61Å | 1.52Å | |
| PA | O3A | sing | 1.61Å | 1.63Å | |
| PA | O5' | sing | 1.61Å | 1.65Å | |
| PB | O1B | sing | 1.61Å | 1.54Å | |
| PB | O2B | doub | 1.48Å | 1.54Å | |
| PB | O3A | sing | 1.61Å | 1.64Å | |
| PB | O3B | sing | 1.61Å | 1.54Å | |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| O3B | HO3B | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 120.0° | 121.0° |
| N1 | C2 | N3 | 125.0° | 122.2° |
| N1 | C2 | H2 | 117.5° | 118.9° |
| N1 | C6 | C5 | 117.9° | 118.6° |
| N1 | C6 | N6 | 120.0° | 120.7° |
| C2 | N3 | C4 | 114.8° | 120.7° |
| N3 | C2 | H2 | 117.5° | 118.9° |
| N3 | C4 | C5 | 124.4° | 119.0° |
| N3 | C4 | N9 | 127.8° | 134.2° |
| C5 | C4 | N9 | 107.8° | 106.8° |
| C4 | C5 | C6 | 117.9° | 118.6° |
| C4 | C5 | N7 | 110.2° | 106.9° |
| C4 | N9 | C8 | 108.4° | 108.6° |
| C4 | N9 | C1' | 125.8° | 125.7° |
| C6 | C5 | N7 | 131.9° | 134.6° |
| C5 | C6 | N6 | 122.1° | 120.7° |
| C5 | N7 | C8 | 105.2° | 108.1° |
| C5 | N7 | HN7 | 127.4° | 125.9° |
| C6 | N6 | HN6 | 109.5° | 119.9° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| N7 | C8 | O8 | 127.3° | 125.3° |
| N7 | C8 | N9 | 108.3° | 109.6° |
| C8 | N7 | HN7 | 127.4° | 126.0° |
| O8 | C8 | N9 | 124.4° | 125.2° |
| C8 | N9 | C1' | 125.7° | 125.7° |
| N9 | C1' | C2' | 110.7° | 110.6° |
| N9 | C1' | O4' | 107.5° | 110.6° |
| N9 | C1' | H1' | 109.0° | 110.6° |
| O1A | PA | O2A | 116.0° | 109.5° |
| O1A | PA | O3A | 109.0° | 109.5° |
| O1A | PA | O5' | 108.5° | 109.5° |
| O2A | PA | O3A | 109.6° | 109.5° |
| O2A | PA | O5' | 112.0° | 109.5° |
| PA | O2A | HO2A | 109.5° | 114.0° |
| O3A | PA | O5' | 100.6° | 109.5° |
| PA | O3A | PB | 125.5° | 134.0° |
| PA | O5' | C5' | 122.3° | 123.0° |
| O1B | PB | O2B | 110.3° | 109.5° |
| O1B | PB | O3A | 107.4° | 109.5° |
| O1B | PB | O3B | 114.4° | 109.4° |
| PB | O1B | HO1B | 109.5° | 114.1° |
| O2B | PB | O3A | 108.6° | 109.5° |
| O2B | PB | O3B | 115.6° | 109.5° |
| O3A | PB | O3B | 99.8° | 109.4° |
| PB | O3B | HO3B | 109.5° | 114.0° |
| C2' | C1' | O4' | 106.3° | 103.5° |
| C1' | C2' | O2' | 108.8° | 110.9° |
| C1' | C2' | C3' | 99.4° | 102.1° |
| C2' | C1' | H1' | 110.2° | 110.7° |
| C1' | C2' | H2' | 117.7° | 110.9° |
| C1' | O4' | C4' | 108.6° | 107.0° |
| O4' | C1' | H1' | 113.2° | 110.7° |
| O2' | C2' | C3' | 113.7° | 110.9° |
| O2' | C2' | H2' | 104.4° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C2' | C3' | O3' | 112.1° | 110.5° |
| C2' | C3' | C4' | 102.2° | 104.2° |
| C3' | C2' | H2' | 113.1° | 110.9° |
| C2' | C3' | H3' | 113.4° | 110.5° |
| O3' | C3' | C4' | 111.9° | 110.4° |
| O3' | C3' | H3' | 104.0° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 113.9° |
| C3' | C4' | O4' | 105.8° | 107.3° |
| C3' | C4' | C5' | 112.8° | 109.9° |
| C4' | C3' | H3' | 113.6° | 110.6° |
| C3' | C4' | H4' | 109.4° | 109.9° |
| O4' | C4' | C5' | 108.2° | 109.9° |
| O4' | C4' | H4' | 113.8° | 109.9° |
| C4' | C5' | O5' | 111.2° | 109.4° |
| C5' | C4' | H4' | 106.9° | 110.0° |
| C4' | C5' | H5' | 108.9° | 109.5° |
| C4' | C5' | H5'A | 108.9° | 109.5° |
| O5' | C5' | H5' | 108.9° | 109.5° |
| O5' | C5' | H5'A | 108.9° | 109.5° |
| HN6 | N6 | HN6A | 109.5° | 120.1° |
| H5' | C5' | H5'A | 110.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.0° | 0.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.1° |
| C2 | N1 | C6 | N6 | 180.0° | 179.9° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| N1 | C6 | C5 | C4 | 0.6° | 0.1° |
| N1 | C6 | C5 | N6 | 179.8° | 179.9° |
| N1 | C6 | C5 | N7 | 179.4° | 180.0° |
| C6 | N1 | C2 | H2 | 179.8° | 179.9° |
| N1 | C6 | N6 | HN6 | 0.0° | 0.1° |
| N1 | C6 | N6 | HN6A | 120.0° | 179.9° |
| C2 | N3 | C4 | C5 | 0.5° | 0.0° |
| C2 | N3 | C4 | N9 | 179.9° | 180.0° |
| N3 | C4 | C5 | N9 | 179.7° | 180.0° |
| N3 | C4 | C5 | C6 | 0.8° | 0.1° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| N3 | C4 | N9 | C8 | 179.8° | 180.0° |
| N3 | C4 | N9 | C1' | 0.6° | 0.0° |
| C4 | N3 | C2 | H2 | 179.9° | 180.0° |
| C4 | C5 | C6 | N7 | 178.8° | 179.9° |
| C4 | C5 | C6 | N6 | 179.6° | 180.0° |
| C4 | C5 | N7 | C8 | 0.2° | 0.0° |
| C5 | C4 | N9 | C8 | 0.5° | 0.0° |
| C5 | C4 | N9 | C1' | 179.8° | 180.0° |
| C4 | C5 | N7 | HN7 | 179.8° | 180.0° |
| N9 | C4 | C5 | C6 | 179.5° | 180.0° |
| N9 | C4 | C5 | N7 | 0.4° | 0.0° |
| C4 | N9 | C8 | N7 | 0.4° | 0.0° |
| C4 | N9 | C8 | O8 | 179.2° | 180.0° |
| C4 | N9 | C8 | C1' | 179.3° | 179.9° |
| C4 | N9 | C1' | C2' | 130.6° | 115.0° |
| C4 | N9 | C1' | O4' | 113.8° | 130.9° |
| C4 | N9 | C1' | H1' | 9.2° | 7.9° |
| C6 | C5 | N7 | C8 | 179.1° | 179.9° |
| C5 | C6 | N6 | HN6 | 179.8° | 180.0° |
| C5 | C6 | N6 | HN6A | 60.2° | 0.1° |
| C6 | C5 | N7 | HN7 | 0.9° | 0.1° |
| N7 | C5 | C6 | N6 | 0.8° | 0.1° |
| C5 | N7 | C8 | HN7 | 180.0° | 179.9° |
| C5 | N7 | C8 | O8 | 178.9° | 180.0° |
| C5 | N7 | C8 | N9 | 0.1° | 0.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 179.9° |
| N7 | C8 | O8 | N9 | 178.6° | 179.9° |
| N7 | C8 | N9 | C1' | 179.6° | 179.9° |
| O8 | C8 | N9 | C1' | 1.5° | 0.0° |
| O8 | C8 | N7 | HN7 | 1.1° | 0.1° |
| C8 | N9 | C1' | C2' | 50.3° | 65.0° |
| C8 | N9 | C1' | O4' | 65.3° | 49.0° |
| N9 | C8 | N7 | HN7 | 179.9° | 180.0° |
| C8 | N9 | C1' | H1' | 171.6° | 172.0° |
| N9 | C1' | C2' | O4' | 116.4° | 118.5° |
| N9 | C1' | C2' | H1' | 120.6° | 122.9° |
| N9 | C1' | O4' | H1' | 120.4° | 122.9° |
| N9 | C1' | C2' | O2' | 85.8° | 86.3° |
| N9 | C1' | C2' | C3' | 155.0° | 155.5° |
| N9 | C1' | O4' | C4' | 140.1° | 158.6° |
| N9 | C1' | C2' | H2' | 32.6° | 37.3° |
| O1A | PA | O2A | O3A | 123.9° | 120.0° |
| O1A | PA | O2A | O5' | 125.3° | 120.0° |
| O1A | PA | O3A | O5' | 113.9° | 120.0° |
| O1A | PA | O3A | PB | 74.1° | 40.1° |
| O1A | PA | O5' | C5' | 156.7° | 55.0° |
| O1A | PA | O2A | HO2A | 0.0° | 180.0° |
| O2A | PA | O3A | O5' | 118.1° | 120.0° |
| O2A | PA | O3A | PB | 53.8° | 79.9° |
| O2A | PA | O5' | C5' | 27.4° | 65.0° |
| PA | O3A | PB | O1B | 85.8° | 159.9° |
| PA | O3A | PB | O2B | 33.4° | 39.9° |
| PA | O3A | PB | O3B | 154.7° | 80.1° |
| O3A | PA | O5' | C5' | 89.0° | 175.0° |
| O3A | PA | O2A | HO2A | 123.9° | 60.0° |
| O5' | PA | O3A | PB | 172.0° | 160.1° |
| PA | O5' | C5' | C4' | 90.9° | 180.0° |
| O5' | PA | O2A | HO2A | 125.3° | 60.0° |
| PA | O5' | C5' | H5' | 29.1° | 60.0° |
| PA | O5' | C5' | H5'A | 149.1° | 60.0° |
| O1B | PB | O2B | O3A | 117.3° | 120.1° |
| O1B | PB | O2B | O3B | 131.6° | 120.0° |
| O1B | PB | O3A | O3B | 119.5° | 120.0° |
| O1B | PB | O3B | HO3B | 129.7° | 60.0° |
| O2B | PB | O3A | O3B | 121.3° | 120.0° |
| O2B | PB | O1B | HO1B | 0.0° | 60.0° |
| O2B | PB | O3B | HO3B | 0.0° | 180.0° |
| O3A | PB | O1B | HO1B | 118.1° | 179.9° |
| O3A | PB | O3B | HO3B | 116.1° | 60.0° |
| O3B | PB | O1B | HO1B | 132.3° | 60.0° |
| C2' | C1' | O4' | H1' | 121.1° | 118.6° |
| C1' | C2' | O2' | C3' | 109.8° | 112.7° |
| C1' | C2' | O2' | H2' | 126.5° | 123.7° |
| C1' | C2' | C3' | H2' | 125.7° | 118.2° |
| C1' | C2' | C3' | O3' | 79.9° | 97.8° |
| C1' | C2' | C3' | C4' | 40.0° | 20.9° |
| C2' | C1' | O4' | C4' | 21.6° | 40.1° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | H3' | 162.7° | 139.7° |
| O4' | C1' | C2' | O2' | 157.8° | 155.2° |
| O4' | C1' | C2' | C3' | 38.7° | 37.0° |
| C1' | O4' | C4' | C3' | 5.0° | 26.5° |
| C1' | O4' | C4' | C5' | 116.2° | 145.9° |
| O4' | C1' | C2' | H2' | 83.8° | 81.2° |
| C1' | O4' | C4' | H4' | 125.1° | 92.9° |
| O2' | C2' | C3' | H2' | 118.9° | 123.6° |
| O2' | C2' | C3' | O3' | 35.5° | 20.4° |
| O2' | C2' | C3' | C4' | 155.5° | 139.1° |
| O2' | C2' | C1' | H1' | 34.8° | 36.6° |
| O2' | C2' | C3' | H3' | 81.9° | 102.1° |
| C2' | C3' | O3' | C4' | 114.1° | 114.7° |
| C2' | C3' | O3' | H3' | 122.9° | 122.6° |
| C2' | C3' | C4' | H3' | 122.6° | 118.7° |
| C2' | C3' | C4' | O4' | 29.1° | 2.0° |
| C2' | C3' | C4' | C5' | 89.0° | 121.5° |
| C3' | C2' | C1' | H1' | 84.4° | 81.6° |
| C3' | C2' | O2' | HO2' | 70.2° | 67.3° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | H4' | 152.1° | 117.4° |
| O3' | C3' | C4' | H3' | 117.4° | 122.6° |
| O3' | C3' | C4' | O4' | 91.0° | 120.7° |
| O3' | C3' | C4' | C5' | 150.9° | 119.9° |
| O3' | C3' | C2' | H2' | 154.4° | 144.0° |
| O3' | C3' | C4' | H4' | 32.0° | 1.3° |
| C3' | C4' | O4' | C5' | 121.1° | 119.4° |
| C3' | C4' | O4' | H4' | 120.1° | 119.4° |
| C3' | C4' | C5' | H4' | 120.3° | 121.1° |
| C3' | C4' | C5' | O5' | 89.9° | 175.0° |
| C4' | C3' | C2' | H2' | 85.6° | 97.4° |
| C4' | C3' | O3' | HO3' | 65.9° | 176.2° |
| C3' | C4' | C5' | H5' | 30.1° | 55.0° |
| C3' | C4' | C5' | H5'A | 150.1° | 65.0° |
| O4' | C4' | C5' | H4' | 123.0° | 121.1° |
| O4' | C4' | C5' | O5' | 153.4° | 67.2° |
| C4' | O4' | C1' | H1' | 99.5° | 78.5° |
| O4' | C4' | C3' | H3' | 151.7° | 116.7° |
| O4' | C4' | C5' | H5' | 86.6° | 172.8° |
| O4' | C4' | C5' | H5'A | 33.4° | 52.8° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C5' | C4' | C3' | H3' | 33.5° | 2.7° |
| C4' | C5' | H5' | H5'A | 119.3° | 120.0° |
| O5' | C5' | C4' | H4' | 30.4° | 53.9° |
| O5' | C5' | H5' | H5'A | 119.3° | 120.0° |
| H1' | C1' | C2' | H2' | 153.2° | 160.2° |
| H2' | C2' | O2' | HO2' | 53.5° | 56.3° |
| H2' | C2' | C3' | H3' | 37.0° | 21.4° |
| H3' | C3' | O3' | HO3' | 57.1° | 61.1° |
| H3' | C3' | C4' | H4' | 85.3° | 123.9° |
| H4' | C4' | C5' | H5' | 150.4° | 66.1° |
| H4' | C4' | C5' | H5'A | 89.6° | 173.9° |
