IDP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PB | O1B | doub | 1.48Å | 1.49Å | |
| PB | O2B | sing | 1.61Å | 1.49Å | |
| PB | O3B | sing | 1.61Å | 1.50Å | |
| PB | O3A | sing | 1.61Å | 1.63Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O3B | HOB3 | sing | 0.97Å | 0.95Å | |
| PA | O1A | doub | 1.48Å | 1.49Å | |
| PA | O2A | sing | 1.61Å | 1.48Å | |
| PA | O3A | sing | 1.61Å | 1.60Å | |
| PA | O5' | sing | 1.61Å | 1.61Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.45Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.54Å | 1.49Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.36Å | 1.34Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.32Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.33Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.52Å | |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C6 | N1 | sing | 1.35Å | 1.38Å | |
| N1 | C2 | sing | 1.36Å | 1.37Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | N3 | doub | 1.30Å | 1.32Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.34Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1B | PB | O2B | 113.1° | 109.5° |
| O1B | PB | O3B | 113.8° | 109.5° |
| O1B | PB | O3A | 104.2° | 109.5° |
| O2B | PB | O3B | 113.1° | 109.5° |
| O2B | PB | O3A | 104.7° | 109.5° |
| PB | O2B | HOB2 | 113.1° | 106.8° |
| O3B | PB | O3A | 106.9° | 109.4° |
| PB | O3B | HOB3 | 113.8° | 106.7° |
| PB | O3A | PA | 133.2° | 106.8° |
| O1A | PA | O2A | 121.7° | 109.5° |
| O1A | PA | O3A | 109.2° | 109.5° |
| O1A | PA | O5' | 103.4° | 109.5° |
| O2A | PA | O3A | 105.3° | 109.5° |
| O2A | PA | O5' | 108.6° | 109.4° |
| PA | O2A | HOA2 | 121.7° | 106.8° |
| O3A | PA | O5' | 108.1° | 109.5° |
| PA | O5' | C5' | 123.9° | 106.9° |
| O5' | C5' | C4' | 115.7° | 109.5° |
| O5' | C5' | H5'1 | 109.9° | 109.5° |
| O5' | C5' | H5'2 | 109.9° | 109.5° |
| C4' | C5' | H5'1 | 109.9° | 109.5° |
| C4' | C5' | H5'2 | 109.9° | 109.5° |
| C5' | C4' | O4' | 122.1° | 110.4° |
| C5' | C4' | C3' | 125.6° | 110.7° |
| C5' | C4' | H4' | 76.4° | 110.4° |
| H5'1 | C5' | H5'2 | 100.3° | 109.4° |
| O4' | C4' | C3' | 105.9° | 104.7° |
| O4' | C4' | H4' | 114.2° | 110.3° |
| C4' | O4' | C1' | 103.4° | 105.4° |
| C3' | C4' | H4' | 107.6° | 110.2° |
| C4' | C3' | O3' | 113.4° | 110.5° |
| C4' | C3' | C2' | 98.9° | 104.2° |
| C4' | C3' | H3' | 113.7° | 110.5° |
| O4' | C1' | C2' | 108.2° | 104.8° |
| O4' | C1' | N9 | 115.3° | 110.5° |
| O4' | C1' | H1' | 108.0° | 110.4° |
| O3' | C3' | C2' | 109.0° | 110.5° |
| O3' | C3' | H3' | 104.4° | 110.5° |
| C3' | O3' | HO3' | 113.4° | 106.8° |
| C2' | C3' | H3' | 117.8° | 110.5° |
| C3' | C2' | O2' | 114.8° | 110.5° |
| C3' | C2' | C1' | 104.7° | 104.1° |
| C3' | C2' | H2' | 113.4° | 110.5° |
| O2' | C2' | C1' | 119.1° | 110.6° |
| O2' | C2' | H2' | 96.6° | 110.5° |
| C2' | O2' | HO2' | 114.8° | 106.8° |
| C1' | C2' | H2' | 108.4° | 110.5° |
| C2' | C1' | N9 | 113.8° | 110.4° |
| C2' | C1' | H1' | 109.6° | 110.3° |
| N9 | C1' | H1' | 101.5° | 110.3° |
| C1' | N9 | C8 | 124.9° | 126.2° |
| C1' | N9 | C4 | 125.8° | 126.3° |
| C8 | N9 | C4 | 108.4° | 107.5° |
| N9 | C8 | N7 | 110.7° | 109.8° |
| N9 | C8 | H8 | 125.1° | 125.1° |
| N9 | C4 | C5 | 105.4° | 106.2° |
| N9 | C4 | N3 | 132.6° | 134.3° |
| N7 | C8 | H8 | 124.2° | 125.1° |
| C8 | N7 | C5 | 105.7° | 109.3° |
| N7 | C5 | C6 | 129.5° | 134.3° |
| N7 | C5 | C4 | 109.7° | 107.3° |
| C6 | C5 | C4 | 120.7° | 118.4° |
| C5 | C6 | O6 | 128.1° | 120.9° |
| C5 | C6 | N1 | 109.5° | 118.2° |
| C5 | C4 | N3 | 122.0° | 119.6° |
| O6 | C6 | N1 | 122.4° | 120.9° |
| C6 | N1 | C2 | 126.7° | 120.4° |
| C6 | N1 | HN1 | 117.0° | 119.8° |
| C2 | N1 | HN1 | 116.4° | 119.8° |
| N1 | C2 | N3 | 121.6° | 122.1° |
| N1 | C2 | H2 | 121.1° | 118.9° |
| N3 | C2 | H2 | 117.2° | 119.0° |
| C2 | N3 | C4 | 119.1° | 121.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | PB | O2B | O3B | 131.1° | 120.0° |
| O1B | PB | O2B | O3A | 112.9° | 120.0° |
| O1B | PB | O3B | O3A | 114.5° | 120.0° |
| O1B | PB | O2B | HOB2 | 180.0° | 60.0° |
| O1B | PB | O3B | HOB3 | 180.0° | 180.0° |
| O1B | PB | O3A | PA | 167.2° | 60.0° |
| O2B | PB | O3B | O3A | 114.7° | 120.0° |
| O2B | PB | O3B | HOB3 | 49.2° | 60.0° |
| O2B | PB | O3A | PA | 48.2° | 180.0° |
| O3B | PB | O2B | HOB2 | 48.9° | 60.0° |
| O3B | PB | O3A | PA | 72.1° | 60.0° |
| O3A | PB | O2B | HOB2 | 67.1° | 180.0° |
| O3A | PB | O3B | HOB3 | 65.5° | 60.0° |
| PB | O3A | PA | O1A | 143.3° | 60.0° |
| PB | O3A | PA | O2A | 84.4° | 60.0° |
| PB | O3A | PA | O5' | 31.5° | 179.9° |
| O1A | PA | O2A | O3A | 124.8° | 120.0° |
| O1A | PA | O2A | O5' | 119.6° | 119.9° |
| O1A | PA | O3A | O5' | 111.8° | 120.0° |
| O1A | PA | O2A | HOA2 | 180.0° | 180.0° |
| O1A | PA | O5' | C5' | 127.0° | 59.9° |
| O2A | PA | O3A | O5' | 115.9° | 120.0° |
| O2A | PA | O5' | C5' | 3.5° | 60.0° |
| O3A | PA | O2A | HOA2 | 55.2° | 60.0° |
| O3A | PA | O5' | C5' | 117.3° | 180.0° |
| O5' | PA | O2A | HOA2 | 60.4° | 60.1° |
| PA | O5' | C5' | C4' | 112.3° | 180.0° |
| PA | O5' | C5' | H5'1 | 122.5° | 59.9° |
| PA | O5' | C5' | H5'2 | 13.0° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.2° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 115.7° | 120.0° |
| O5' | C5' | C4' | O4' | 115.7° | 61.4° |
| O5' | C5' | C4' | C3' | 31.9° | 176.9° |
| O5' | C5' | C4' | H4' | 134.0° | 60.8° |
| C4' | C5' | H5'1 | H5'2 | 115.8° | 120.0° |
| C5' | C4' | O4' | C3' | 153.1° | 119.2° |
| C5' | C4' | O4' | H4' | 88.7° | 122.3° |
| C5' | C4' | C3' | H4' | 85.6° | 122.4° |
| C5' | C4' | O4' | C1' | 113.4° | 159.5° |
| C5' | C4' | C3' | O3' | 136.7° | 98.6° |
| C5' | C4' | C3' | C2' | 108.1° | 142.7° |
| C5' | C4' | C3' | H3' | 17.6° | 24.0° |
| H5'1 | C5' | C4' | O4' | 119.0° | 178.5° |
| H5'1 | C5' | C4' | C3' | 93.3° | 63.1° |
| H5'1 | C5' | C4' | H4' | 8.7° | 59.2° |
| H5'2 | C5' | C4' | O4' | 9.5° | 58.6° |
| H5'2 | C5' | C4' | C3' | 157.2° | 56.8° |
| H5'2 | C5' | C4' | H4' | 100.8° | 179.2° |
| O4' | C4' | C3' | H4' | 122.5° | 118.7° |
| O4' | C4' | C3' | O3' | 71.5° | 142.5° |
| O4' | C4' | C3' | C2' | 43.8° | 23.8° |
| O4' | C4' | C3' | H3' | 169.5° | 94.9° |
| C4' | O4' | C1' | C2' | 19.1° | 40.4° |
| C4' | O4' | C1' | N9 | 109.6° | 159.3° |
| C4' | O4' | C1' | H1' | 137.7° | 78.3° |
| C3' | C4' | O4' | C1' | 39.7° | 40.4° |
| C4' | C3' | O3' | C2' | 109.1° | 114.8° |
| C4' | C3' | O3' | H3' | 124.3° | 122.6° |
| C4' | C3' | C2' | H3' | 122.8° | 118.7° |
| C4' | C3' | O3' | HO3' | 180.0° | 178.1° |
| C4' | C3' | C2' | O2' | 162.4° | 118.9° |
| C4' | C3' | C2' | C1' | 30.0° | 0.1° |
| C4' | C3' | C2' | H2' | 87.9° | 118.6° |
| H4' | C4' | O4' | C1' | 157.9° | 78.2° |
| H4' | C4' | C3' | O3' | 51.1° | 23.9° |
| H4' | C4' | C3' | C2' | 166.3° | 94.8° |
| H4' | C4' | C3' | H3' | 68.0° | 146.4° |
| O4' | C1' | C2' | C3' | 8.2° | 24.0° |
| O4' | C1' | C2' | O2' | 138.1° | 142.7° |
| O4' | C1' | C2' | N9 | 129.5° | 119.0° |
| O4' | C1' | C2' | H1' | 117.6° | 118.8° |
| O4' | C1' | C2' | H2' | 113.1° | 94.7° |
| O4' | C1' | N9 | H1' | 116.5° | 122.4° |
| O4' | C1' | N9 | C8 | 105.9° | 25.4° |
| O4' | C1' | N9 | C4 | 86.3° | 154.9° |
| O3' | C3' | C2' | H3' | 118.5° | 122.6° |
| O3' | C3' | C2' | O2' | 43.8° | 0.2° |
| O3' | C3' | C2' | C1' | 88.6° | 118.6° |
| O3' | C3' | C2' | H2' | 153.4° | 122.7° |
| C2' | C3' | O3' | HO3' | 70.9° | 63.4° |
| C3' | C2' | O2' | C1' | 125.1° | 114.8° |
| C3' | C2' | O2' | H2' | 119.5° | 122.6° |
| C3' | C2' | C1' | H2' | 121.3° | 118.6° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.5° |
| C3' | C2' | C1' | N9 | 137.7° | 143.0° |
| C3' | C2' | C1' | H1' | 109.4° | 94.8° |
| H3' | C3' | O3' | HO3' | 55.7° | 59.3° |
| H3' | C3' | C2' | O2' | 74.8° | 122.4° |
| H3' | C3' | C2' | C1' | 152.9° | 118.8° |
| H3' | C3' | C2' | H2' | 34.9° | 0.1° |
| O2' | C2' | C1' | H2' | 108.8° | 122.7° |
| O2' | C2' | C1' | N9 | 92.4° | 98.3° |
| O2' | C2' | C1' | H1' | 20.5° | 23.9° |
| C1' | C2' | O2' | HO2' | 54.9° | 176.2° |
| C2' | C1' | N9 | H1' | 117.7° | 122.2° |
| C2' | C1' | N9 | C8 | 20.0° | 90.0° |
| C2' | C1' | N9 | C4 | 147.9° | 89.7° |
| H2' | C2' | O2' | HO2' | 60.5° | 61.1° |
| H2' | C2' | C1' | N9 | 16.5° | 24.3° |
| H2' | C2' | C1' | H1' | 129.4° | 146.5° |
| C1' | N9 | C8 | C4 | 169.6° | 179.8° |
| C1' | N9 | C8 | N7 | 168.6° | 180.0° |
| C1' | N9 | C8 | H8 | 11.3° | 0.0° |
| C1' | N9 | C4 | C5 | 169.1° | 179.8° |
| C1' | N9 | C4 | N3 | 13.8° | 0.8° |
| H1' | C1' | N9 | C8 | 137.7° | 147.8° |
| H1' | C1' | N9 | C4 | 30.2° | 32.5° |
| N9 | C8 | N7 | H8 | 179.9° | 180.0° |
| N9 | C8 | N7 | C5 | 1.1° | 0.0° |
| C8 | N9 | C4 | C5 | 0.5° | 0.4° |
| C8 | N9 | C4 | N3 | 176.6° | 179.5° |
| C4 | N9 | C8 | N7 | 1.0° | 0.3° |
| C4 | N9 | C8 | H8 | 179.0° | 179.8° |
| N9 | C4 | C5 | N7 | 0.2° | 0.4° |
| N9 | C4 | C5 | C6 | 179.7° | 179.8° |
| N9 | C4 | C5 | N3 | 177.5° | 179.2° |
| N9 | C4 | N3 | C2 | 175.0° | 179.6° |
| C8 | N7 | C5 | C6 | 179.7° | 179.9° |
| C8 | N7 | C5 | C4 | 0.8° | 0.3° |
| H8 | C8 | N7 | C5 | 178.9° | 179.9° |
| N7 | C5 | C6 | C4 | 179.4° | 179.6° |
| N7 | C5 | C6 | O6 | 2.4° | 0.1° |
| N7 | C5 | C6 | N1 | 177.9° | 179.9° |
| N7 | C5 | C4 | N3 | 177.7° | 179.7° |
| C5 | C6 | O6 | N1 | 179.7° | 180.0° |
| C5 | C6 | N1 | C2 | 1.6° | 0.0° |
| C5 | C6 | N1 | HN1 | 178.4° | 179.9° |
| C6 | C5 | C4 | N3 | 2.8° | 0.6° |
| C4 | C5 | C6 | O6 | 177.0° | 179.7° |
| C4 | C5 | C6 | N1 | 2.7° | 0.3° |
| C5 | C4 | N3 | C2 | 1.8° | 0.6° |
| O6 | C6 | N1 | C2 | 178.7° | 180.0° |
| O6 | C6 | N1 | HN1 | 1.4° | 0.1° |
| C6 | N1 | C2 | HN1 | 179.9° | 179.9° |
| C6 | N1 | C2 | N3 | 6.3° | 0.0° |
| C6 | N1 | C2 | H2 | 173.7° | 179.9° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 6.1° | 0.3° |
| HN1 | N1 | C2 | N3 | 173.7° | 180.0° |
| HN1 | N1 | C2 | H2 | 6.3° | 0.0° |
| H2 | C2 | N3 | C4 | 173.9° | 179.7° |
