DGI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1B | PB | doub | 1.48Å | 1.61Å | |
| PB | O2B | sing | 1.61Å | 1.61Å | |
| PB | O3B | sing | 1.61Å | 1.48Å | |
| PB | O3A | sing | 1.61Å | 1.62Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O3B | HOB3 | sing | 0.97Å | 0.95Å | |
| O3A | PA | sing | 1.61Å | 1.61Å | |
| PA | O1A | doub | 1.48Å | 1.48Å | |
| PA | O2A | sing | 1.61Å | 1.48Å | |
| PA | O5' | sing | 1.61Å | 1.61Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5' | sing | 1.09Å | 1.11Å | |
| C5' | H5'' | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| C2' | H2'' | sing | 1.09Å | 1.11Å | |
| C1' | N9 | sing | 1.46Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.37Å | 1.33Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.36Å | 1.33Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.39Å | |
| C4 | N3 | sing | 1.34Å | 1.40Å | |
| N3 | C2 | doub | 1.31Å | 1.40Å | |
| C2 | N2 | sing | 1.37Å | 1.33Å | |
| C2 | N1 | sing | 1.36Å | 1.40Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| N1 | C6 | sing | 1.35Å | 1.40Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C6 | O6 | doub | 1.22Å | 1.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1B | PB | O2B | 105.9° | 109.5° |
| O1B | PB | O3B | 112.6° | 109.5° |
| O1B | PB | O3A | 105.7° | 109.5° |
| O2B | PB | O3B | 112.6° | 109.5° |
| O2B | PB | O3A | 105.1° | 109.5° |
| PB | O2B | HOB2 | 105.9° | 106.8° |
| O3B | PB | O3A | 114.2° | 109.4° |
| PB | O3B | HOB3 | 112.6° | 106.7° |
| PB | O3A | PA | 122.8° | 106.7° |
| O3A | PA | O1A | 106.8° | 109.5° |
| O3A | PA | O2A | 108.0° | 109.5° |
| O3A | PA | O5' | 104.2° | 109.4° |
| O1A | PA | O2A | 118.4° | 109.5° |
| O1A | PA | O5' | 108.8° | 109.5° |
| O2A | PA | O5' | 109.8° | 109.5° |
| PA | O2A | HOA2 | 108.0° | 106.9° |
| PA | O5' | C5' | 120.4° | 106.8° |
| O5' | C5' | C4' | 111.6° | 109.4° |
| O5' | C5' | H5' | 111.5° | 109.4° |
| O5' | C5' | H5'' | 111.4° | 109.5° |
| C4' | C5' | H5' | 111.4° | 109.5° |
| C4' | C5' | H5'' | 111.5° | 109.5° |
| C5' | C4' | O4' | 111.0° | 110.8° |
| C5' | C4' | C3' | 111.9° | 110.6° |
| C5' | C4' | H4' | 105.3° | 110.6° |
| H5' | C5' | H5'' | 98.9° | 109.5° |
| O4' | C4' | C3' | 104.6° | 103.6° |
| O4' | C4' | H4' | 112.5° | 110.5° |
| C4' | O4' | C1' | 108.3° | 106.9° |
| C3' | C4' | H4' | 111.6° | 110.6° |
| C4' | C3' | O3' | 109.1° | 110.9° |
| C4' | C3' | C2' | 99.1° | 102.1° |
| C4' | C3' | H3' | 115.8° | 110.9° |
| O4' | C1' | C2' | 106.4° | 107.4° |
| O4' | C1' | N9 | 108.3° | 109.9° |
| O4' | C1' | H1' | 113.5° | 109.9° |
| O3' | C3' | C2' | 108.2° | 110.9° |
| O3' | C3' | H3' | 107.7° | 110.8° |
| C3' | O3' | HO3' | 109.1° | 106.8° |
| C2' | C3' | H3' | 116.5° | 110.9° |
| C3' | C2' | C1' | 101.8° | 104.2° |
| C3' | C2' | H2' | 115.1° | 110.5° |
| C3' | C2' | H2'' | 115.1° | 110.5° |
| C1' | C2' | H2' | 115.1° | 110.5° |
| C1' | C2' | H2'' | 115.1° | 110.5° |
| C2' | C1' | N9 | 113.1° | 109.9° |
| C2' | C1' | H1' | 108.8° | 109.9° |
| H2' | C2' | H2'' | 95.3° | 110.6° |
| N9 | C1' | H1' | 106.9° | 109.9° |
| C1' | N9 | C8 | 127.0° | 126.3° |
| C1' | N9 | C4 | 125.0° | 126.3° |
| C8 | N9 | C4 | 107.9° | 107.5° |
| N9 | C8 | N7 | 109.4° | 109.8° |
| N9 | C8 | H8 | 125.2° | 125.1° |
| N9 | C4 | C5 | 107.7° | 106.1° |
| N9 | C4 | N3 | 131.7° | 134.2° |
| N7 | C8 | H8 | 125.4° | 125.1° |
| C8 | N7 | C5 | 108.4° | 109.3° |
| N7 | C5 | C4 | 106.6° | 107.3° |
| N7 | C5 | C6 | 133.7° | 134.1° |
| C4 | C5 | C6 | 119.7° | 118.6° |
| C5 | C4 | N3 | 120.6° | 119.7° |
| C5 | C6 | N1 | 120.1° | 118.4° |
| C5 | C6 | O6 | 120.5° | 120.9° |
| C4 | N3 | C2 | 120.0° | 121.1° |
| N3 | C2 | N2 | 120.2° | 119.0° |
| N3 | C2 | N1 | 119.2° | 121.9° |
| N2 | C2 | N1 | 120.6° | 119.0° |
| C2 | N2 | HN21 | 108.4° | 120.0° |
| C2 | N2 | HN22 | 120.1° | 120.0° |
| C2 | N1 | C6 | 120.4° | 120.3° |
| C2 | N1 | HN1 | 119.7° | 119.9° |
| HN21 | N2 | HN22 | 108.4° | 120.0° |
| C6 | N1 | HN1 | 119.8° | 119.8° |
| N1 | C6 | O6 | 119.4° | 120.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | PB | O2B | O3B | 123.5° | 120.0° |
| O1B | PB | O2B | O3A | 111.6° | 120.0° |
| O1B | PB | O3B | O3A | 120.5° | 120.0° |
| O1B | PB | O2B | HOB2 | 180.0° | 180.0° |
| O1B | PB | O3B | HOB3 | 180.0° | 60.0° |
| O1B | PB | O3A | PA | 112.2° | 40.0° |
| O2B | PB | O3B | O3A | 119.8° | 120.0° |
| O2B | PB | O3B | HOB3 | 60.3° | 60.0° |
| O2B | PB | O3A | PA | 136.0° | 80.0° |
| O3B | PB | O2B | HOB2 | 56.5° | 60.0° |
| O3B | PB | O3A | PA | 12.1° | 160.0° |
| O3A | PB | O2B | HOB2 | 68.4° | 60.0° |
| O3A | PB | O3B | HOB3 | 59.5° | 180.0° |
| PB | O3A | PA | O1A | 124.7° | 40.0° |
| PB | O3A | PA | O2A | 106.9° | 80.1° |
| PB | O3A | PA | O5' | 9.7° | 160.0° |
| O3A | PA | O1A | O2A | 122.0° | 120.0° |
| O3A | PA | O1A | O5' | 111.9° | 120.0° |
| O3A | PA | O2A | O5' | 113.0° | 119.9° |
| O3A | PA | O2A | HOA2 | 180.0° | 60.0° |
| O3A | PA | O5' | C5' | 174.5° | 175.0° |
| O1A | PA | O2A | O5' | 125.7° | 120.0° |
| O1A | PA | O2A | HOA2 | 58.7° | 180.0° |
| O1A | PA | O5' | C5' | 71.9° | 55.0° |
| O2A | PA | O5' | C5' | 59.1° | 65.1° |
| O5' | PA | O2A | HOA2 | 67.0° | 59.9° |
| PA | O5' | C5' | C4' | 174.5° | 180.0° |
| PA | O5' | C5' | H5' | 49.2° | 60.0° |
| PA | O5' | C5' | H5'' | 60.2° | 59.9° |
| O5' | C5' | C4' | H5' | 125.3° | 119.9° |
| O5' | C5' | C4' | H5'' | 125.3° | 120.0° |
| O5' | C5' | H5' | H5'' | 117.3° | 119.9° |
| O5' | C5' | C4' | O4' | 179.0° | 70.8° |
| O5' | C5' | C4' | C3' | 62.5° | 175.0° |
| O5' | C5' | C4' | H4' | 59.0° | 52.1° |
| C4' | C5' | H5' | H5'' | 117.3° | 120.1° |
| C5' | C4' | O4' | C3' | 120.9° | 118.6° |
| C5' | C4' | O4' | H4' | 117.7° | 122.9° |
| C5' | C4' | C3' | H4' | 117.7° | 122.8° |
| C5' | C4' | O4' | C1' | 147.8° | 158.5° |
| C5' | C4' | C3' | O3' | 84.3° | 86.1° |
| C5' | C4' | C3' | C2' | 162.7° | 155.7° |
| C5' | C4' | C3' | H3' | 37.3° | 37.5° |
| H5' | C5' | C4' | O4' | 53.7° | 169.3° |
| H5' | C5' | C4' | C3' | 62.8° | 55.1° |
| H5' | C5' | C4' | H4' | 175.7° | 67.8° |
| H5'' | C5' | C4' | O4' | 55.7° | 49.2° |
| H5'' | C5' | C4' | C3' | 172.2° | 65.0° |
| H5'' | C5' | C4' | H4' | 66.3° | 172.1° |
| O4' | C4' | C3' | H4' | 122.0° | 118.4° |
| O4' | C4' | C3' | O3' | 155.4° | 155.2° |
| O4' | C4' | C3' | C2' | 42.4° | 37.0° |
| O4' | C4' | C3' | H3' | 83.0° | 81.3° |
| C4' | O4' | C1' | C2' | 0.1° | 26.3° |
| C4' | O4' | C1' | N9 | 121.7° | 145.8° |
| C4' | O4' | C1' | H1' | 119.7° | 93.1° |
| C3' | C4' | O4' | C1' | 27.0° | 39.9° |
| C4' | C3' | O3' | C2' | 106.8° | 112.7° |
| C4' | C3' | O3' | H3' | 126.4° | 123.6° |
| C4' | C3' | C2' | H3' | 124.9° | 118.2° |
| C4' | C3' | O3' | HO3' | 180.0° | 174.2° |
| C4' | C3' | C2' | C1' | 40.9° | 20.9° |
| C4' | C3' | C2' | H2' | 84.3° | 97.8° |
| C4' | C3' | C2' | H2'' | 166.2° | 139.6° |
| H4' | C4' | O4' | C1' | 94.4° | 78.6° |
| H4' | C4' | C3' | O3' | 33.4° | 36.7° |
| H4' | C4' | C3' | C2' | 79.6° | 81.5° |
| H4' | C4' | C3' | H3' | 155.0° | 160.3° |
| O4' | C1' | C2' | C3' | 26.8° | 1.9° |
| O4' | C1' | C2' | N9 | 118.7° | 119.5° |
| O4' | C1' | C2' | H1' | 122.7° | 119.4° |
| O4' | C1' | C2' | H2' | 98.5° | 120.6° |
| O4' | C1' | C2' | H2'' | 152.0° | 116.7° |
| O4' | C1' | N9 | H1' | 122.7° | 121.0° |
| O4' | C1' | N9 | C8 | 28.6° | 23.2° |
| O4' | C1' | N9 | C4 | 147.4° | 156.7° |
| O3' | C3' | C2' | H3' | 121.5° | 123.6° |
| O3' | C3' | C2' | C1' | 154.6° | 139.1° |
| O3' | C3' | C2' | H2' | 29.4° | 20.4° |
| O3' | C3' | C2' | H2'' | 80.1° | 102.2° |
| C2' | C3' | O3' | HO3' | 73.1° | 61.5° |
| C3' | C2' | C1' | H2' | 125.3° | 118.7° |
| C3' | C2' | C1' | H2'' | 125.3° | 118.6° |
| C3' | C2' | H2' | H2'' | 121.0° | 122.6° |
| C3' | C2' | C1' | N9 | 92.0° | 121.4° |
| C3' | C2' | C1' | H1' | 149.4° | 117.5° |
| H3' | C3' | O3' | HO3' | 53.6° | 62.2° |
| H3' | C3' | C2' | C1' | 83.9° | 97.3° |
| H3' | C3' | C2' | H2' | 150.9° | 144.0° |
| H3' | C3' | C2' | H2'' | 41.4° | 21.4° |
| C1' | C2' | H2' | H2'' | 121.0° | 122.6° |
| C2' | C1' | N9 | H1' | 119.7° | 121.0° |
| C2' | C1' | N9 | C8 | 89.0° | 94.8° |
| C2' | C1' | N9 | C4 | 95.0° | 85.3° |
| H2' | C2' | C1' | N9 | 142.8° | 119.9° |
| H2' | C2' | C1' | H1' | 24.2° | 1.1° |
| H2'' | C2' | C1' | N9 | 33.3° | 2.8° |
| H2'' | C2' | C1' | H1' | 85.3° | 123.8° |
| C1' | N9 | C8 | C4 | 176.6° | 180.0° |
| C1' | N9 | C8 | N7 | 175.9° | 180.0° |
| C1' | N9 | C8 | H8 | 4.1° | 0.0° |
| C1' | N9 | C4 | C5 | 175.9° | 179.9° |
| C1' | N9 | C4 | N3 | 3.5° | 0.1° |
| H1' | C1' | N9 | C8 | 151.3° | 144.3° |
| H1' | C1' | N9 | C4 | 24.7° | 35.7° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.3° | 0.0° |
| C8 | N9 | C4 | C5 | 0.8° | 0.1° |
| C8 | N9 | C4 | N3 | 179.9° | 179.9° |
| C4 | N9 | C8 | N7 | 0.7° | 0.0° |
| C4 | N9 | C8 | H8 | 179.3° | 180.0° |
| N9 | C4 | C5 | N7 | 0.6° | 0.1° |
| N9 | C4 | C5 | N3 | 179.4° | 179.9° |
| N9 | C4 | C5 | C6 | 179.2° | 180.0° |
| N9 | C4 | N3 | C2 | 179.2° | 180.0° |
| C8 | N7 | C5 | C4 | 0.2° | 0.0° |
| C8 | N7 | C5 | C6 | 179.6° | 179.9° |
| H8 | C8 | N7 | C5 | 179.7° | 180.0° |
| N7 | C5 | C4 | C6 | 179.8° | 179.9° |
| N7 | C5 | C4 | N3 | 180.0° | 180.0° |
| N7 | C5 | C6 | N1 | 180.0° | 179.7° |
| N7 | C5 | C6 | O6 | 0.4° | 0.1° |
| C5 | C4 | N3 | C2 | 0.1° | 0.1° |
| C4 | C5 | C6 | N1 | 0.2° | 0.1° |
| C4 | C5 | C6 | O6 | 179.4° | 180.0° |
| C6 | C5 | C4 | N3 | 0.2° | 0.1° |
| C5 | C6 | N1 | C2 | 0.1° | 0.4° |
| C5 | C6 | N1 | O6 | 179.6° | 179.8° |
| C5 | C6 | N1 | HN1 | 179.9° | 180.0° |
| C4 | N3 | C2 | N2 | 179.2° | 180.0° |
| C4 | N3 | C2 | N1 | 0.0° | 0.2° |
| N3 | C2 | N2 | N1 | 179.2° | 179.8° |
| N3 | C2 | N2 | HN21 | 54.7° | 0.0° |
| N3 | C2 | N2 | HN22 | 180.0° | 179.7° |
| N3 | C2 | N1 | C6 | 0.0° | 0.5° |
| N3 | C2 | N1 | HN1 | 180.0° | 180.0° |
| C2 | N2 | HN21 | HN22 | 131.9° | 179.7° |
| N2 | C2 | N1 | C6 | 179.2° | 179.7° |
| N2 | C2 | N1 | HN1 | 0.8° | 0.2° |
| N1 | C2 | N2 | HN21 | 126.1° | 179.7° |
| N1 | C2 | N2 | HN22 | 0.8° | 0.5° |
| C2 | N1 | C6 | HN1 | 180.0° | 179.6° |
| C2 | N1 | C6 | O6 | 179.4° | 179.7° |
| HN1 | N1 | C6 | O6 | 0.6° | 0.2° |
