ABP
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 | 1.51Å | |
| PB | O3B | sing | 1.61Å | 1.48Å | |
| 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 | 1.51Å | |
| PA | O2A | sing | 1.61Å | 1.50Å | |
| PA | O3A | sing | 1.61Å | 1.63Å | |
| PA | O5' | sing | 1.61Å | 1.60Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.54Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.46Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C2' | C1' | sing | 1.54Å | 1.54Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | HO2' | sing | 0.97Å | 0.97Å | |
| C1' | N9 | sing | 1.46Å | 1.52Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N9 | C8 | sing | 1.36Å | 1.42Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C8 | BR8 | sing | 1.89Å | 1.91Å | |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.37Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.01Å | |
| N6 | HN62 | sing | 0.97Å | 1.01Å | |
| N1 | C2 | sing | 1.32Å | 1.32Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.37Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1B | PB | O2B | 113.3° | 109.5° |
| O1B | PB | O3B | 111.7° | 109.5° |
| O1B | PB | O3A | 108.0° | 109.5° |
| O2B | PB | O3B | 113.7° | 109.5° |
| O2B | PB | O3A | 105.7° | 109.5° |
| PB | O2B | HOB2 | 113.4° | 106.8° |
| O3B | PB | O3A | 103.5° | 109.5° |
| PB | O3B | HOB3 | 111.7° | 106.8° |
| PB | O3A | PA | 110.7° | 106.8° |
| O1A | PA | O2A | 119.6° | 109.4° |
| O1A | PA | O3A | 107.7° | 109.5° |
| O1A | PA | O5' | 101.3° | 109.5° |
| O2A | PA | O3A | 107.6° | 109.5° |
| O2A | PA | O5' | 109.6° | 109.4° |
| PA | O2A | HOA2 | 119.6° | 106.8° |
| O3A | PA | O5' | 110.9° | 109.6° |
| PA | O5' | C5' | 126.5° | 106.9° |
| O5' | C5' | C4' | 112.0° | 109.5° |
| O5' | C5' | H5'1 | 111.3° | 109.5° |
| O5' | C5' | H5'2 | 111.3° | 109.4° |
| C4' | C5' | H5'1 | 111.2° | 109.5° |
| C4' | C5' | H5'2 | 111.3° | 109.5° |
| C5' | C4' | O4' | 113.0° | 110.4° |
| C5' | C4' | C3' | 113.0° | 110.4° |
| C5' | C4' | H4' | 103.7° | 110.4° |
| H5'1 | C5' | H5'2 | 99.1° | 109.5° |
| O4' | C4' | C3' | 106.8° | 104.8° |
| O4' | C4' | H4' | 110.2° | 110.4° |
| C4' | O4' | C1' | 108.5° | 105.2° |
| C3' | C4' | H4' | 110.2° | 110.3° |
| C4' | C3' | O3' | 111.1° | 110.5° |
| C4' | C3' | C2' | 105.0° | 104.1° |
| C4' | C3' | H3' | 113.1° | 110.5° |
| O4' | C1' | C2' | 108.4° | 104.9° |
| O4' | C1' | N9 | 112.4° | 110.4° |
| O4' | C1' | H1' | 111.1° | 110.3° |
| O3' | C3' | C2' | 114.2° | 110.6° |
| O3' | C3' | H3' | 103.6° | 110.4° |
| C3' | O3' | HO3' | 111.2° | 106.7° |
| C2' | C3' | H3' | 110.0° | 110.6° |
| C3' | C2' | O2' | 110.5° | 110.5° |
| C3' | C2' | C1' | 104.4° | 104.0° |
| C3' | C2' | H2' | 112.2° | 110.5° |
| O2' | C2' | C1' | 109.7° | 110.8° |
| O2' | C2' | H2' | 107.1° | 110.5° |
| C2' | O2' | HO2' | 106.8° | 106.8° |
| C1' | C2' | H2' | 113.0° | 110.5° |
| C2' | C1' | N9 | 116.6° | 110.4° |
| C2' | C1' | H1' | 106.2° | 110.4° |
| N9 | C1' | H1' | 101.8° | 110.4° |
| C1' | N9 | C8 | 134.5° | 126.3° |
| C1' | N9 | C4 | 118.8° | 126.3° |
| C8 | N9 | C4 | 104.3° | 107.4° |
| N9 | C8 | BR8 | 129.3° | 125.0° |
| N9 | C8 | N7 | 112.4° | 110.0° |
| N9 | C4 | C5 | 107.2° | 106.0° |
| N9 | C4 | N3 | 125.7° | 134.9° |
| BR8 | C8 | N7 | 118.3° | 125.1° |
| C8 | N7 | C5 | 105.4° | 109.5° |
| N7 | C5 | C6 | 131.7° | 134.7° |
| N7 | C5 | C4 | 110.6° | 107.1° |
| C6 | C5 | C4 | 116.9° | 118.2° |
| C5 | C6 | N6 | 122.5° | 120.8° |
| C5 | C6 | N1 | 118.0° | 118.5° |
| C5 | C4 | N3 | 126.0° | 119.1° |
| N6 | C6 | N1 | 119.2° | 120.7° |
| C6 | N6 | HN61 | 119.4° | 120.0° |
| C6 | N6 | HN62 | 120.3° | 120.0° |
| C6 | N1 | C2 | 118.7° | 121.2° |
| HN61 | N6 | HN62 | 120.1° | 120.0° |
| N1 | C2 | N3 | 129.3° | 122.5° |
| N1 | C2 | H2 | 115.1° | 118.8° |
| N3 | C2 | H2 | 115.6° | 118.7° |
| C2 | N3 | C4 | 110.8° | 120.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | PB | O2B | O3B | 129.0° | 120.0° |
| O1B | PB | O2B | O3A | 118.2° | 120.0° |
| O1B | PB | O3B | O3A | 116.0° | 120.0° |
| O1B | PB | O2B | HOB2 | 180.0° | 60.0° |
| O1B | PB | O3B | HOB3 | 180.0° | 180.0° |
| O1B | PB | O3A | PA | 177.9° | 60.0° |
| O2B | PB | O3B | O3A | 114.2° | 120.0° |
| O2B | PB | O3B | HOB3 | 50.2° | 60.0° |
| O2B | PB | O3A | PA | 60.5° | 180.0° |
| O3B | PB | O2B | HOB2 | 51.0° | 60.0° |
| O3B | PB | O3A | PA | 59.3° | 60.0° |
| O3A | PB | O2B | HOB2 | 61.8° | 180.0° |
| O3A | PB | O3B | HOB3 | 64.0° | 60.0° |
| PB | O3A | PA | O1A | 62.9° | 60.0° |
| PB | O3A | PA | O2A | 67.2° | 60.0° |
| PB | O3A | PA | O5' | 172.9° | 180.0° |
| O1A | PA | O2A | O3A | 123.1° | 120.0° |
| O1A | PA | O2A | O5' | 116.2° | 119.9° |
| O1A | PA | O3A | O5' | 109.9° | 120.0° |
| O1A | PA | O2A | HOA2 | 180.0° | 179.9° |
| O1A | PA | O5' | C5' | 125.0° | 59.9° |
| O2A | PA | O3A | O5' | 119.9° | 120.0° |
| O2A | PA | O5' | C5' | 2.3° | 60.0° |
| O3A | PA | O2A | HOA2 | 56.8° | 60.1° |
| O3A | PA | O5' | C5' | 121.0° | 180.0° |
| O5' | PA | O2A | HOA2 | 63.8° | 60.0° |
| PA | O5' | C5' | C4' | 99.4° | 180.0° |
| PA | O5' | C5' | H5'1 | 25.8° | 60.0° |
| PA | O5' | C5' | H5'2 | 135.3° | 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 | 117.2° | 120.0° |
| O5' | C5' | C4' | O4' | 113.7° | 61.5° |
| O5' | C5' | C4' | C3' | 7.8° | 176.9° |
| O5' | C5' | C4' | H4' | 127.1° | 60.9° |
| C4' | C5' | H5'1 | H5'2 | 117.1° | 120.0° |
| C5' | C4' | O4' | C3' | 124.8° | 118.9° |
| C5' | C4' | O4' | H4' | 115.4° | 122.3° |
| C5' | C4' | C3' | H4' | 115.4° | 122.3° |
| C5' | C4' | O4' | C1' | 148.4° | 159.4° |
| C5' | C4' | C3' | O3' | 84.2° | 98.3° |
| C5' | C4' | C3' | C2' | 151.8° | 142.9° |
| C5' | C4' | C3' | H3' | 31.9° | 24.2° |
| H5'1 | C5' | C4' | O4' | 121.1° | 178.5° |
| H5'1 | C5' | C4' | C3' | 117.5° | 63.1° |
| H5'1 | C5' | C4' | H4' | 1.8° | 59.1° |
| H5'2 | C5' | C4' | O4' | 11.6° | 58.5° |
| H5'2 | C5' | C4' | C3' | 133.1° | 56.9° |
| H5'2 | C5' | C4' | H4' | 107.6° | 179.1° |
| O4' | C4' | C3' | H4' | 119.7° | 118.9° |
| O4' | C4' | C3' | O3' | 150.9° | 142.8° |
| O4' | C4' | C3' | C2' | 27.0° | 24.1° |
| O4' | C4' | C3' | H3' | 93.0° | 94.7° |
| C4' | O4' | C1' | C2' | 10.8° | 40.5° |
| C4' | O4' | C1' | N9 | 141.1° | 159.4° |
| C4' | O4' | C1' | H1' | 105.6° | 78.4° |
| C3' | C4' | O4' | C1' | 23.5° | 40.5° |
| C4' | C3' | O3' | C2' | 118.5° | 114.7° |
| C4' | C3' | O3' | H3' | 121.8° | 122.6° |
| C4' | C3' | C2' | H3' | 122.0° | 118.7° |
| C4' | C3' | O3' | HO3' | 179.9° | 180.0° |
| C4' | C3' | C2' | O2' | 98.2° | 118.8° |
| C4' | C3' | C2' | C1' | 19.7° | 0.1° |
| C4' | C3' | C2' | H2' | 142.4° | 118.6° |
| H4' | C4' | O4' | C1' | 96.2° | 78.3° |
| H4' | C4' | C3' | O3' | 31.2° | 24.0° |
| H4' | C4' | C3' | C2' | 92.7° | 94.8° |
| H4' | C4' | C3' | H3' | 147.3° | 146.5° |
| O4' | C1' | C2' | C3' | 6.2° | 23.9° |
| O4' | C1' | C2' | O2' | 112.2° | 142.6° |
| O4' | C1' | C2' | N9 | 127.9° | 118.9° |
| O4' | C1' | C2' | H1' | 119.5° | 118.9° |
| O4' | C1' | C2' | H2' | 128.4° | 94.7° |
| O4' | C1' | N9 | H1' | 118.9° | 122.2° |
| O4' | C1' | N9 | C8 | 128.6° | 152.9° |
| O4' | C1' | N9 | C4 | 71.9° | 27.0° |
| O3' | C3' | C2' | H3' | 116.0° | 122.6° |
| O3' | C3' | C2' | O2' | 23.8° | 0.1° |
| O3' | C3' | C2' | C1' | 141.6° | 118.8° |
| O3' | C3' | C2' | H2' | 95.7° | 122.7° |
| C2' | C3' | O3' | HO3' | 61.4° | 65.3° |
| C3' | C2' | O2' | C1' | 114.5° | 114.7° |
| C3' | C2' | O2' | H2' | 122.5° | 122.6° |
| C3' | C2' | C1' | H2' | 122.2° | 118.5° |
| C3' | C2' | O2' | HO2' | 16.0° | 61.5° |
| C3' | C2' | C1' | N9 | 121.8° | 142.8° |
| C3' | C2' | C1' | H1' | 125.6° | 95.0° |
| H3' | C3' | O3' | HO3' | 58.2° | 57.5° |
| H3' | C3' | C2' | O2' | 139.8° | 122.5° |
| H3' | C3' | C2' | C1' | 102.4° | 118.6° |
| H3' | C3' | C2' | H2' | 20.3° | 0.1° |
| O2' | C2' | C1' | H2' | 119.4° | 122.8° |
| O2' | C2' | C1' | N9 | 119.8° | 98.6° |
| O2' | C2' | C1' | H1' | 7.3° | 23.7° |
| C1' | C2' | O2' | HO2' | 130.6° | 176.2° |
| C2' | C1' | N9 | H1' | 115.1° | 122.3° |
| C2' | C1' | N9 | C8 | 2.6° | 91.6° |
| C2' | C1' | N9 | C4 | 162.1° | 88.5° |
| H2' | C2' | O2' | HO2' | 106.5° | 61.1° |
| H2' | C2' | C1' | N9 | 0.4° | 24.2° |
| H2' | C2' | C1' | H1' | 112.2° | 146.5° |
| C1' | N9 | C8 | C4 | 161.5° | 179.9° |
| C1' | N9 | C8 | BR8 | 23.5° | 0.0° |
| C1' | N9 | C8 | N7 | 158.3° | 179.9° |
| C1' | N9 | C4 | C5 | 163.0° | 179.7° |
| C1' | N9 | C4 | N3 | 5.0° | 0.1° |
| H1' | C1' | N9 | C8 | 112.5° | 30.7° |
| H1' | C1' | N9 | C4 | 47.0° | 149.2° |
| N9 | C8 | BR8 | N7 | 178.0° | 179.9° |
| N9 | C8 | N7 | C5 | 3.0° | 0.3° |
| C8 | N9 | C4 | C5 | 2.0° | 0.2° |
| C8 | N9 | C4 | N3 | 170.1° | 180.0° |
| C4 | N9 | C8 | BR8 | 174.9° | 179.9° |
| C4 | N9 | C8 | N7 | 3.2° | 0.0° |
| N9 | C4 | C5 | N7 | 0.4° | 0.4° |
| N9 | C4 | C5 | C6 | 170.9° | 179.6° |
| N9 | C4 | C5 | N3 | 168.0° | 179.8° |
| N9 | C4 | N3 | C2 | 168.3° | 180.0° |
| BR8 | C8 | N7 | C5 | 175.4° | 179.7° |
| C8 | N7 | C5 | C6 | 171.1° | 179.5° |
| C8 | N7 | C5 | C4 | 1.6° | 0.4° |
| N7 | C5 | C6 | C4 | 169.0° | 179.0° |
| N7 | C5 | C6 | N6 | 20.8° | 0.7° |
| N7 | C5 | C6 | N1 | 165.1° | 179.5° |
| N7 | C5 | C4 | N3 | 168.4° | 179.8° |
| C5 | C6 | N6 | N1 | 174.1° | 179.8° |
| C5 | C6 | N6 | HN61 | 23.8° | 179.8° |
| C5 | C6 | N6 | HN62 | 161.5° | 0.6° |
| C5 | C6 | N1 | C2 | 4.9° | 0.2° |
| C6 | C5 | C4 | N3 | 2.9° | 0.5° |
| C4 | C5 | C6 | N6 | 170.2° | 179.7° |
| C4 | C5 | C6 | N1 | 4.0° | 0.5° |
| C5 | C4 | N3 | C2 | 2.4° | 0.3° |
| C6 | N6 | HN61 | HN62 | 174.7° | 179.6° |
| N6 | C6 | N1 | C2 | 169.4° | 180.0° |
| N1 | C6 | N6 | HN61 | 150.3° | 0.0° |
| N1 | C6 | N6 | HN62 | 24.4° | 179.6° |
| C6 | N1 | C2 | N3 | 5.2° | 0.1° |
| C6 | N1 | C2 | H2 | 174.9° | 179.9° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 3.6° | 0.1° |
| H2 | C2 | N3 | C4 | 176.4° | 180.0° |
