8DD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | N9 | sing | 1.38Å | 1.38Å | |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | N7 | sing | 1.39Å | 1.38Å | |
| C6 | N6 | sing | 1.39Å | 1.34Å | |
| N7 | C8 | sing | 1.35Å | 1.31Å | |
| C8 | O8 | doub | 1.22Å | 1.22Å | |
| C8 | N9 | sing | 1.35Å | 1.37Å | |
| N9 | C1' | sing | 1.46Å | 1.48Å | |
| PA | O1A | doub | 1.48Å | 1.48Å | |
| PA | O2A | sing | 1.61Å | 1.49Å | |
| PA | O3A | sing | 1.61Å | 1.63Å | |
| PA | O5' | sing | 1.61Å | 1.59Å | |
| PB | O1B | sing | 1.61Å | 1.58Å | |
| PB | O2B | doub | 1.48Å | 1.44Å | |
| PB | O3A | sing | 1.61Å | 1.59Å | |
| PB | O3B | sing | 1.61Å | 1.47Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.55Å | 1.52Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| 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 | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| 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 | 118.9° | 120.9° |
| N1 | C2 | N3 | 128.8° | 122.3° |
| N1 | C2 | H2 | 115.6° | 118.9° |
| N1 | C6 | C5 | 117.6° | 118.6° |
| N1 | C6 | N6 | 119.0° | 120.7° |
| C2 | N3 | C4 | 110.9° | 120.7° |
| N3 | C2 | H2 | 115.6° | 118.9° |
| N3 | C4 | C5 | 126.9° | 119.0° |
| N3 | C4 | N9 | 127.2° | 134.2° |
| C5 | C4 | N9 | 105.9° | 106.8° |
| C4 | C5 | C6 | 116.9° | 118.6° |
| C4 | C5 | N7 | 110.5° | 106.9° |
| C4 | N9 | C8 | 106.0° | 108.6° |
| C4 | N9 | C1' | 124.3° | 125.7° |
| C6 | C5 | N7 | 132.6° | 134.5° |
| C5 | C6 | N6 | 123.4° | 120.7° |
| C5 | N7 | C8 | 104.5° | 108.1° |
| C5 | N7 | HN7 | 127.8° | 126.0° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| N7 | C8 | O8 | 122.8° | 125.2° |
| N7 | C8 | N9 | 113.1° | 109.6° |
| C8 | N7 | HN7 | 127.8° | 126.0° |
| O8 | C8 | N9 | 124.1° | 125.2° |
| C8 | N9 | C1' | 129.7° | 125.7° |
| N9 | C1' | C2' | 116.5° | 109.9° |
| N9 | C1' | O4' | 108.7° | 109.9° |
| N9 | C1' | H1' | 104.1° | 109.9° |
| O1A | PA | O2A | 118.5° | 109.5° |
| O1A | PA | O3A | 109.2° | 109.5° |
| O1A | PA | O5' | 110.0° | 109.5° |
| O2A | PA | O3A | 110.0° | 109.4° |
| O2A | PA | O5' | 109.6° | 109.5° |
| PA | O2A | HO2A | 109.5° | 114.0° |
| O3A | PA | O5' | 97.6° | 109.5° |
| PA | O3A | PB | 131.2° | 134.0° |
| PA | O5' | C5' | 119.9° | 123.0° |
| O1B | PB | O2B | 119.2° | 109.5° |
| O1B | PB | O3A | 112.3° | 109.5° |
| O1B | PB | O3B | 108.6° | 109.5° |
| PB | O1B | HO1B | 109.5° | 114.0° |
| O2B | PB | O3A | 105.0° | 109.4° |
| O2B | PB | O3B | 107.4° | 109.4° |
| O3A | PB | O3B | 103.0° | 109.5° |
| PB | O3B | HO3B | 109.5° | 114.0° |
| C2' | C1' | O4' | 105.9° | 107.3° |
| C1' | C2' | C3' | 102.6° | 104.2° |
| C2' | C1' | H1' | 107.0° | 109.8° |
| C1' | C2' | H2' | 111.8° | 110.5° |
| C1' | C2' | H2'A | 111.8° | 110.5° |
| C1' | O4' | C4' | 110.6° | 107.0° |
| O4' | C1' | H1' | 115.0° | 110.0° |
| C2' | C3' | O3' | 110.2° | 111.0° |
| C2' | C3' | C4' | 102.1° | 102.1° |
| C3' | C2' | H2' | 111.8° | 110.4° |
| C3' | C2' | H2'A | 111.8° | 110.4° |
| C2' | C3' | H3' | 113.6° | 110.9° |
| O3' | C3' | C4' | 108.9° | 110.9° |
| O3' | C3' | H3' | 107.3° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | O4' | 105.9° | 103.5° |
| C3' | C4' | C5' | 113.2° | 110.6° |
| C4' | C3' | H3' | 114.7° | 110.9° |
| C3' | C4' | H4' | 109.5° | 110.6° |
| O4' | C4' | C5' | 109.6° | 110.6° |
| O4' | C4' | H4' | 113.1° | 110.6° |
| C4' | C5' | O5' | 109.9° | 109.5° |
| C5' | C4' | H4' | 105.7° | 110.7° |
| C4' | C5' | H5' | 109.3° | 109.4° |
| C4' | C5' | H5'A | 109.3° | 109.5° |
| O5' | C5' | H5' | 109.3° | 109.5° |
| O5' | C5' | H5'A | 109.4° | 109.5° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
| H2' | C2' | H2'A | 107.0° | 110.5° |
| H5' | C5' | H5'A | 109.6° | 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 | 0.1° | 0.0° |
| C2 | N1 | C6 | C5 | 0.2° | 0.1° |
| C2 | N1 | C6 | N6 | 180.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.1° |
| N1 | C6 | C5 | N6 | 179.9° | 179.9° |
| N1 | C6 | C5 | N7 | 180.0° | 180.0° |
| C6 | N1 | C2 | H2 | 179.8° | 179.9° |
| N1 | C6 | N6 | HN6 | 0.0° | 0.1° |
| N1 | C6 | N6 | HN6A | 120.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| C2 | N3 | C4 | N9 | 179.9° | 179.9° |
| N3 | C4 | C5 | N9 | 179.9° | 179.9° |
| N3 | C4 | C5 | C6 | 0.0° | 0.1° |
| N3 | C4 | C5 | N7 | 180.0° | 180.0° |
| N3 | C4 | N9 | C8 | 180.0° | 180.0° |
| N3 | C4 | N9 | C1' | 0.2° | 0.0° |
| C4 | N3 | C2 | H2 | 179.9° | 180.0° |
| C4 | C5 | C6 | N7 | 179.9° | 179.9° |
| C4 | C5 | C6 | N6 | 179.9° | 180.0° |
| C4 | C5 | N7 | C8 | 0.0° | 0.0° |
| C5 | C4 | N9 | C8 | 0.0° | 0.1° |
| C5 | C4 | N9 | C1' | 179.9° | 180.0° |
| C4 | C5 | N7 | HN7 | 180.0° | 180.0° |
| N9 | C4 | C5 | C6 | 179.9° | 180.0° |
| N9 | C4 | C5 | N7 | 0.0° | 0.1° |
| C4 | N9 | C8 | N7 | 0.0° | 0.1° |
| C4 | N9 | C8 | O8 | 180.0° | 180.0° |
| C4 | N9 | C8 | C1' | 179.8° | 179.9° |
| C4 | N9 | C1' | C2' | 173.4° | 114.9° |
| C4 | N9 | C1' | O4' | 67.1° | 127.2° |
| C4 | N9 | C1' | H1' | 55.9° | 6.1° |
| C6 | C5 | N7 | C8 | 179.9° | 180.0° |
| C5 | C6 | N6 | HN6 | 179.9° | 180.0° |
| C5 | C6 | N6 | HN6A | 60.1° | 0.1° |
| C6 | C5 | N7 | HN7 | 0.0° | 0.1° |
| N7 | C5 | C6 | N6 | 0.1° | 0.1° |
| C5 | N7 | C8 | HN7 | 180.0° | 179.9° |
| C5 | N7 | C8 | O8 | 180.0° | 179.9° |
| C5 | N7 | C8 | N9 | 0.0° | 0.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 179.9° |
| N7 | C8 | O8 | N9 | 180.0° | 179.9° |
| N7 | C8 | N9 | C1' | 179.9° | 180.0° |
| O8 | C8 | N9 | C1' | 0.1° | 0.1° |
| O8 | C8 | N7 | HN7 | 0.0° | 0.0° |
| C8 | N9 | C1' | C2' | 6.4° | 65.0° |
| C8 | N9 | C1' | O4' | 113.0° | 52.9° |
| N9 | C8 | N7 | HN7 | 180.0° | 179.9° |
| C8 | N9 | C1' | H1' | 123.9° | 174.0° |
| N9 | C1' | C2' | O4' | 121.0° | 119.4° |
| N9 | C1' | C2' | H1' | 115.9° | 121.0° |
| N9 | C1' | O4' | H1' | 116.2° | 121.1° |
| N9 | C1' | C2' | C3' | 151.8° | 121.5° |
| N9 | C1' | O4' | C4' | 139.5° | 145.9° |
| N9 | C1' | C2' | H2' | 88.2° | 119.9° |
| N9 | C1' | C2' | H2'A | 31.8° | 2.8° |
| O1A | PA | O2A | O3A | 126.5° | 120.0° |
| O1A | PA | O2A | O5' | 127.3° | 120.0° |
| O1A | PA | O3A | O5' | 114.3° | 120.0° |
| O1A | PA | O3A | PB | 52.4° | 40.0° |
| O1A | PA | O5' | C5' | 85.0° | 55.0° |
| O1A | PA | O2A | HO2A | 0.0° | 180.0° |
| O2A | PA | O3A | O5' | 114.1° | 120.0° |
| O2A | PA | O3A | PB | 79.1° | 80.0° |
| O2A | PA | O5' | C5' | 143.0° | 65.0° |
| PA | O3A | PB | O1B | 67.1° | 160.0° |
| PA | O3A | PB | O2B | 63.9° | 40.0° |
| PA | O3A | PB | O3B | 176.2° | 80.0° |
| O3A | PA | O5' | C5' | 28.7° | 175.0° |
| O3A | PA | O2A | HO2A | 126.5° | 60.0° |
| O5' | PA | O3A | PB | 166.8° | 160.0° |
| PA | O5' | C5' | C4' | 96.7° | 180.0° |
| O5' | PA | O2A | HO2A | 127.3° | 60.0° |
| PA | O5' | C5' | H5' | 23.4° | 60.0° |
| PA | O5' | C5' | H5'A | 143.3° | 60.0° |
| O1B | PB | O2B | O3A | 126.9° | 120.0° |
| O1B | PB | O2B | O3B | 124.0° | 120.0° |
| O1B | PB | O3A | O3B | 116.7° | 120.0° |
| O1B | PB | O3B | HO3B | 130.2° | 60.0° |
| O2B | PB | O3A | O3B | 112.3° | 119.9° |
| O2B | PB | O1B | HO1B | 0.0° | 60.1° |
| O2B | PB | O3B | HO3B | 0.0° | 180.0° |
| O3A | PB | O1B | HO1B | 123.4° | 180.0° |
| O3A | PB | O3B | HO3B | 110.5° | 60.0° |
| O3B | PB | O1B | HO1B | 123.4° | 59.9° |
| C2' | C1' | O4' | H1' | 117.9° | 119.4° |
| C1' | C2' | C3' | H2' | 120.0° | 118.7° |
| C1' | C2' | C3' | H2'A | 120.0° | 118.7° |
| C1' | C2' | C3' | O3' | 80.2° | 139.1° |
| C1' | C2' | C3' | C4' | 35.4° | 20.9° |
| C2' | C1' | O4' | C4' | 13.6° | 26.5° |
| C1' | C2' | H2' | H2'A | 122.8° | 122.7° |
| C1' | C2' | C3' | H3' | 159.4° | 97.3° |
| O4' | C1' | C2' | C3' | 30.9° | 2.0° |
| C1' | O4' | C4' | C3' | 9.4° | 40.1° |
| C1' | O4' | C4' | C5' | 113.0° | 158.6° |
| O4' | C1' | C2' | H2' | 150.8° | 120.6° |
| O4' | C1' | C2' | H2'A | 89.2° | 116.6° |
| C1' | O4' | C4' | H4' | 129.3° | 78.5° |
| C2' | C3' | O3' | C4' | 111.2° | 112.7° |
| C2' | C3' | O3' | H3' | 124.1° | 123.7° |
| C2' | C3' | C4' | H3' | 123.3° | 118.2° |
| C2' | C3' | C4' | O4' | 28.1° | 37.0° |
| C2' | C3' | C4' | C5' | 92.0° | 155.5° |
| C3' | C2' | C1' | H1' | 92.3° | 117.5° |
| C3' | C2' | H2' | H2'A | 122.8° | 122.5° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
| C2' | C3' | C4' | H4' | 150.3° | 81.5° |
| O3' | C3' | C4' | H3' | 120.2° | 123.6° |
| O3' | C3' | C4' | O4' | 88.4° | 155.3° |
| O3' | C3' | C4' | C5' | 151.6° | 86.3° |
| O3' | C3' | C2' | H2' | 39.8° | 20.4° |
| O3' | C3' | C2' | H2'A | 159.8° | 102.2° |
| O3' | C3' | C4' | H4' | 33.9° | 36.7° |
| C3' | C4' | O4' | C5' | 122.4° | 118.5° |
| C3' | C4' | O4' | H4' | 119.9° | 118.5° |
| C3' | C4' | C5' | H4' | 119.9° | 123.0° |
| C3' | C4' | C5' | O5' | 94.7° | 175.0° |
| C4' | C3' | C2' | H2' | 155.4° | 97.8° |
| C4' | C3' | C2' | H2'A | 84.6° | 139.6° |
| C4' | C3' | O3' | HO3' | 68.8° | 174.1° |
| C3' | C4' | C5' | H5' | 25.3° | 55.0° |
| C3' | C4' | C5' | H5'A | 145.2° | 65.0° |
| O4' | C4' | C5' | H4' | 122.2° | 123.0° |
| O4' | C4' | C5' | O5' | 147.4° | 70.9° |
| C4' | O4' | C1' | H1' | 104.3° | 92.9° |
| O4' | C4' | C3' | H3' | 151.4° | 81.2° |
| O4' | C4' | C5' | H5' | 92.6° | 169.1° |
| O4' | C4' | C5' | H5'A | 27.3° | 49.1° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C5' | C4' | C3' | H3' | 31.3° | 37.3° |
| C4' | C5' | H5' | H5'A | 119.8° | 120.0° |
| O5' | C5' | C4' | H4' | 25.2° | 52.0° |
| O5' | C5' | H5' | H5'A | 119.8° | 120.0° |
| H1' | C1' | C2' | H2' | 27.7° | 1.1° |
| H1' | C1' | C2' | H2'A | 147.7° | 123.8° |
| H2' | C2' | C3' | H3' | 80.6° | 144.0° |
| H2'A | C2' | C3' | H3' | 39.4° | 21.4° |
| H3' | C3' | O3' | HO3' | 55.9° | 62.2° |
| H3' | C3' | C4' | H4' | 86.4° | 160.3° |
| H4' | C4' | C5' | H5' | 145.1° | 68.0° |
| H4' | C4' | C5' | H5'A | 94.9° | 172.1° |
