2A5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O2A | sing | 1.61Å | 1.51Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| O1A | PA | doub | 1.48Å | 1.52Å | |
| PA | O3A | sing | 1.61Å | 1.63Å | |
| PA | O5' | sing | 1.61Å | 1.60Å | |
| PB | O3A | sing | 1.61Å | 1.63Å | |
| O3B | PB | doub | 1.48Å | 1.52Å | |
| O2B | PB | sing | 1.61Å | 1.52Å | |
| PB | O1B | sing | 1.61Å | 1.51Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C1' | O4' | sing | 1.44Å | 1.44Å | |
| N9 | C1' | sing | 1.46Å | 1.49Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C2' | C01 | sing | 1.53Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C02 | O01 | sing | 1.43Å | 1.43Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H02A | sing | 1.09Å | 1.10Å | |
| O01 | HO01 | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.35Å | 1.35Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.48Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.47Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.36Å | Aromatic |
| N6 | C6 | sing | 1.38Å | 1.35Å | |
| C6 | N1 | sing | 1.33Å | 1.36Å | Aromatic |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| PA | O2A | HO2A | 109.5° | 114.0° |
| O2A | PA | O1A | 120.3° | 109.4° |
| O2A | PA | O3A | 110.5° | 109.4° |
| O2A | PA | O5' | 108.5° | 109.5° |
| O1A | PA | O3A | 110.5° | 109.5° |
| O1A | PA | O5' | 103.9° | 109.5° |
| O3A | PA | O5' | 101.2° | 109.5° |
| PA | O3A | PB | 130.6° | 134.0° |
| PA | O5' | C5' | 117.0° | 123.0° |
| O3A | PB | O3B | 110.0° | 109.5° |
| O3A | PB | O2B | 102.4° | 109.5° |
| O3A | PB | O1B | 102.4° | 109.4° |
| O3B | PB | O2B | 110.9° | 109.5° |
| O3B | PB | O1B | 115.1° | 109.5° |
| O2B | PB | O1B | 114.9° | 109.4° |
| PB | O2B | HO2B | 109.5° | 114.0° |
| PB | O1B | HO1B | 109.5° | 114.0° |
| O5' | C5' | C4' | 110.5° | 109.5° |
| O5' | C5' | H5' | 109.1° | 109.5° |
| O5' | C5' | H5'A | 108.9° | 109.5° |
| C4' | C5' | H5' | 109.1° | 109.5° |
| C4' | C5' | H5'A | 108.9° | 109.5° |
| C5' | C4' | O4' | 113.5° | 109.9° |
| C5' | C4' | C3' | 111.2° | 109.9° |
| C5' | C4' | H4' | 104.5° | 109.9° |
| H5' | C5' | H5'A | 110.3° | 109.4° |
| O4' | C4' | C3' | 106.6° | 107.4° |
| O4' | C4' | H4' | 109.3° | 109.9° |
| C4' | O4' | C1' | 109.6° | 107.0° |
| C3' | C4' | H4' | 111.7° | 109.9° |
| C4' | C3' | C2' | 104.7° | 104.0° |
| C4' | C3' | O3' | 107.1° | 110.7° |
| C4' | C3' | H3' | 117.3° | 110.5° |
| O4' | C1' | N9 | 109.3° | 110.6° |
| O4' | C1' | C2' | 107.5° | 103.5° |
| O4' | C1' | H1' | 112.5° | 110.6° |
| N9 | C1' | C2' | 113.7° | 110.6° |
| N9 | C1' | H1' | 106.1° | 110.7° |
| C1' | N9 | C8 | 124.9° | 126.3° |
| C1' | N9 | C4 | 126.4° | 126.3° |
| C2' | C1' | H1' | 107.9° | 110.6° |
| C1' | C2' | C3' | 104.9° | 102.1° |
| C1' | C2' | C01 | 108.2° | 110.9° |
| C1' | C2' | H2' | 116.0° | 111.0° |
| C3' | C2' | C01 | 116.5° | 110.8° |
| C3' | C2' | H2' | 107.6° | 111.0° |
| C2' | C3' | O3' | 117.9° | 110.5° |
| C2' | C3' | H3' | 106.4° | 110.4° |
| C01 | C2' | H2' | 104.2° | 110.8° |
| C2' | C01 | C02 | 116.7° | 109.5° |
| C2' | C01 | H01 | 107.1° | 109.5° |
| C2' | C01 | H01A | 105.5° | 109.5° |
| C02 | C01 | H01 | 107.1° | 109.5° |
| C02 | C01 | H01A | 105.5° | 109.5° |
| C01 | C02 | O01 | 112.3° | 109.5° |
| C01 | C02 | H02 | 108.6° | 109.5° |
| C01 | C02 | H02A | 107.9° | 109.5° |
| H01 | C01 | H01A | 115.3° | 109.5° |
| O01 | C02 | H02 | 108.5° | 109.5° |
| O01 | C02 | H02A | 107.9° | 109.5° |
| C02 | O01 | HO01 | 109.5° | 114.0° |
| H02 | C02 | H02A | 111.7° | 109.5° |
| O3' | C3' | H3' | 104.0° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.1° |
| C8 | N9 | C4 | 108.7° | 107.4° |
| N9 | C8 | N7 | 111.1° | 110.0° |
| N9 | C8 | H8 | 124.5° | 125.0° |
| N9 | C4 | C5 | 105.6° | 106.0° |
| N9 | C4 | N3 | 136.3° | 134.9° |
| N7 | C8 | H8 | 124.4° | 125.0° |
| C8 | N7 | C5 | 107.3° | 109.5° |
| N7 | C5 | C6 | 135.8° | 134.7° |
| N7 | C5 | C4 | 107.2° | 107.1° |
| C6 | C5 | C4 | 117.0° | 118.2° |
| C5 | C6 | N6 | 119.3° | 120.8° |
| C5 | C6 | N1 | 118.7° | 118.4° |
| C5 | C4 | N3 | 118.1° | 119.1° |
| C4 | N3 | C2 | 122.3° | 120.7° |
| N6 | C6 | N1 | 122.0° | 120.7° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| C6 | N1 | C2 | 121.3° | 121.2° |
| HN6 | N6 | HN6A | 109.4° | 120.0° |
| N1 | C2 | N3 | 122.5° | 122.5° |
| N1 | C2 | H2 | 118.7° | 118.8° |
| N3 | C2 | H2 | 118.7° | 118.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2A | PA | O1A | O3A | 130.7° | 119.9° |
| O2A | PA | O1A | O5' | 121.5° | 120.0° |
| O2A | PA | O3A | O5' | 114.7° | 120.0° |
| O2A | PA | O3A | PB | 54.8° | 80.0° |
| O2A | PA | O5' | C5' | 45.0° | 65.0° |
| HO2A | O2A | PA | O1A | 24.9° | 180.0° |
| HO2A | O2A | PA | O3A | 105.8° | 60.0° |
| HO2A | O2A | PA | O5' | 144.2° | 60.0° |
| O1A | PA | O3A | O5' | 109.6° | 120.1° |
| O1A | PA | O3A | PB | 80.9° | 39.9° |
| O1A | PA | O5' | C5' | 174.1° | 55.0° |
| PA | O3A | PB | O3B | 7.8° | 44.9° |
| PA | O3A | PB | O2B | 125.8° | 165.0° |
| PA | O3A | PB | O1B | 114.9° | 75.1° |
| O3A | PA | O5' | C5' | 71.2° | 175.0° |
| O5' | PA | O3A | PB | 169.5° | 160.0° |
| PA | O5' | C5' | C4' | 144.8° | 180.0° |
| PA | O5' | C5' | H5' | 95.2° | 59.9° |
| PA | O5' | C5' | H5'A | 25.2° | 60.0° |
| O3A | PB | O3B | O2B | 112.5° | 120.1° |
| O3A | PB | O3B | O1B | 115.0° | 120.0° |
| O3A | PB | O2B | O1B | 110.1° | 119.9° |
| O3A | PB | O2B | HO2B | 106.6° | 180.0° |
| O3A | PB | O1B | HO1B | 141.7° | 60.0° |
| O3B | PB | O2B | O1B | 132.6° | 120.0° |
| O3B | PB | O2B | HO2B | 136.1° | 60.0° |
| O3B | PB | O1B | HO1B | 22.4° | 180.0° |
| O2B | PB | O1B | HO1B | 108.2° | 60.0° |
| O1B | PB | O2B | HO2B | 3.5° | 60.0° |
| O5' | C5' | C4' | H5' | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'A | 119.6° | 120.0° |
| O5' | C5' | H5' | H5'A | 119.6° | 120.0° |
| O5' | C5' | C4' | O4' | 42.4° | 66.7° |
| O5' | C5' | C4' | C3' | 77.9° | 175.3° |
| O5' | C5' | C4' | H4' | 161.4° | 54.3° |
| C4' | C5' | H5' | H5'A | 119.6° | 120.0° |
| C5' | C4' | O4' | C3' | 122.8° | 119.5° |
| C5' | C4' | O4' | H4' | 116.3° | 121.0° |
| C5' | C4' | C3' | H4' | 116.4° | 121.0° |
| C5' | C4' | O4' | C1' | 148.5° | 146.0° |
| C5' | C4' | C3' | C2' | 149.7° | 121.4° |
| C5' | C4' | C3' | O3' | 84.4° | 119.9° |
| C5' | C4' | C3' | H3' | 32.0° | 2.8° |
| H5' | C5' | C4' | O4' | 162.4° | 53.3° |
| H5' | C5' | C4' | C3' | 42.1° | 64.7° |
| H5' | C5' | C4' | H4' | 78.6° | 174.3° |
| H5'A | C5' | C4' | O4' | 77.2° | 173.3° |
| H5'A | C5' | C4' | C3' | 162.5° | 55.3° |
| H5'A | C5' | C4' | H4' | 41.8° | 65.7° |
| O4' | C4' | C3' | H4' | 119.4° | 119.5° |
| C4' | O4' | C1' | N9 | 139.0° | 158.6° |
| C4' | O4' | C1' | C2' | 15.1° | 40.1° |
| C4' | O4' | C1' | H1' | 103.5° | 78.4° |
| O4' | C4' | C3' | C2' | 25.4° | 1.9° |
| O4' | C4' | C3' | O3' | 151.4° | 120.6° |
| O4' | C4' | C3' | H3' | 92.3° | 116.7° |
| C3' | C4' | O4' | C1' | 25.7° | 26.4° |
| C4' | C3' | C2' | C1' | 15.9° | 21.0° |
| C4' | C3' | C2' | O3' | 118.9° | 118.8° |
| C4' | C3' | C2' | H3' | 124.9° | 118.5° |
| C4' | C3' | C2' | C01 | 103.6° | 139.2° |
| C4' | C3' | C2' | H2' | 139.9° | 97.2° |
| C4' | C3' | O3' | H3' | 124.9° | 122.7° |
| C4' | C3' | O3' | HO3' | 129.5° | 65.3° |
| H4' | C4' | O4' | C1' | 95.2° | 93.0° |
| H4' | C4' | C3' | C2' | 93.9° | 117.6° |
| H4' | C4' | C3' | O3' | 32.0° | 1.1° |
| H4' | C4' | C3' | H3' | 148.4° | 123.9° |
| O4' | C1' | N9 | C2' | 120.1° | 114.1° |
| O4' | C1' | N9 | H1' | 121.5° | 123.0° |
| O4' | C1' | C2' | H1' | 121.6° | 118.5° |
| O4' | C1' | C2' | C3' | 1.3° | 37.2° |
| O4' | C1' | C2' | C01 | 123.6° | 155.2° |
| O4' | C1' | C2' | H2' | 119.8° | 81.2° |
| O4' | C1' | N9 | C8 | 50.5° | 23.6° |
| O4' | C1' | N9 | C4 | 127.3° | 156.7° |
| N9 | C1' | C2' | H1' | 117.4° | 123.0° |
| N9 | C1' | C2' | C3' | 119.8° | 155.7° |
| N9 | C1' | C2' | C01 | 115.3° | 86.3° |
| N9 | C1' | C2' | H2' | 1.3° | 37.3° |
| C1' | N9 | C8 | C4 | 178.1° | 179.7° |
| C1' | N9 | C8 | N7 | 178.7° | 180.0° |
| C1' | N9 | C8 | H8 | 1.3° | 0.1° |
| C1' | N9 | C4 | C5 | 178.7° | 179.9° |
| C1' | N9 | C4 | N3 | 2.0° | 0.3° |
| C1' | C2' | C3' | C01 | 119.5° | 118.1° |
| C1' | C2' | C3' | H2' | 124.0° | 118.3° |
| C1' | C2' | C01 | H2' | 124.0° | 123.7° |
| C1' | C2' | C01 | C02 | 171.2° | 175.0° |
| C1' | C2' | C01 | H01 | 68.8° | 65.0° |
| C1' | C2' | C01 | H01A | 54.5° | 55.0° |
| C1' | C2' | C3' | O3' | 134.8° | 97.8° |
| C1' | C2' | C3' | H3' | 109.0° | 139.6° |
| C2' | C1' | N9 | C8 | 69.5° | 90.5° |
| C2' | C1' | N9 | C4 | 112.7° | 89.2° |
| H1' | C1' | C2' | C3' | 122.9° | 81.4° |
| H1' | C1' | C2' | C01 | 2.1° | 36.7° |
| H1' | C1' | C2' | H2' | 118.7° | 160.3° |
| H1' | C1' | N9 | C8 | 172.1° | 146.5° |
| H1' | C1' | N9 | C4 | 5.7° | 33.8° |
| C3' | C2' | C01 | H2' | 118.3° | 123.7° |
| C3' | C2' | C01 | C02 | 71.1° | 72.4° |
| C3' | C2' | C01 | H01 | 48.9° | 47.7° |
| C3' | C2' | C01 | H01A | 172.2° | 167.6° |
| C2' | C3' | O3' | H3' | 117.5° | 122.6° |
| C2' | C3' | O3' | HO3' | 112.9° | 180.0° |
| C2' | C01 | C02 | H01 | 120.0° | 120.0° |
| C2' | C01 | C02 | H01A | 116.7° | 120.0° |
| C2' | C01 | H01 | H01A | 117.0° | 120.0° |
| C2' | C01 | C02 | O01 | 144.8° | 180.0° |
| C2' | C01 | C02 | H02 | 24.8° | 60.0° |
| C2' | C01 | C02 | H02A | 96.4° | 60.0° |
| C01 | C2' | C3' | O3' | 15.3° | 20.4° |
| C01 | C2' | C3' | H3' | 131.5° | 102.3° |
| H2' | C2' | C01 | C02 | 47.2° | 51.3° |
| H2' | C2' | C01 | H01 | 167.2° | 171.3° |
| H2' | C2' | C01 | H01A | 69.5° | 68.7° |
| H2' | C2' | C3' | O3' | 101.2° | 143.9° |
| H2' | C2' | C3' | H3' | 15.0° | 21.3° |
| C02 | C01 | H01 | H01A | 117.1° | 120.0° |
| C01 | C02 | O01 | H02 | 120.0° | 120.0° |
| C01 | C02 | O01 | H02A | 118.8° | 120.0° |
| C01 | C02 | H02 | H02A | 118.8° | 120.0° |
| C01 | C02 | O01 | HO01 | 88.1° | 180.0° |
| H01 | C01 | C02 | O01 | 95.2° | 60.0° |
| H01 | C01 | C02 | H02 | 144.8° | 180.0° |
| H01 | C01 | C02 | H02A | 23.6° | 60.0° |
| H01A | C01 | C02 | O01 | 28.1° | 60.0° |
| H01A | C01 | C02 | H02 | 91.8° | 60.0° |
| H01A | C01 | C02 | H02A | 146.9° | 180.0° |
| O01 | C02 | H02 | H02A | 118.8° | 120.0° |
| H02 | C02 | O01 | HO01 | 151.9° | 60.1° |
| H02A | C02 | O01 | HO01 | 30.7° | 60.0° |
| H3' | C3' | O3' | HO3' | 4.6° | 57.4° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.2° | 0.0° |
| C8 | N9 | C4 | C5 | 0.6° | 0.4° |
| C8 | N9 | C4 | N3 | 180.0° | 179.9° |
| C4 | N9 | C8 | N7 | 0.5° | 0.3° |
| C4 | N9 | C8 | H8 | 179.5° | 179.8° |
| N9 | C4 | C5 | N7 | 0.5° | 0.3° |
| N9 | C4 | C5 | C6 | 179.1° | 179.8° |
| N9 | C4 | C5 | N3 | 179.5° | 179.7° |
| N9 | C4 | N3 | C2 | 179.3° | 179.4° |
| C8 | N7 | C5 | C6 | 179.3° | 180.0° |
| C8 | N7 | C5 | C4 | 0.2° | 0.2° |
| H8 | C8 | N7 | C5 | 179.8° | 179.9° |
| N7 | C5 | C6 | C4 | 179.4° | 179.8° |
| N7 | C5 | C4 | N3 | 180.0° | 180.0° |
| N7 | C5 | C6 | N6 | 0.5° | 0.1° |
| N7 | C5 | C6 | N1 | 179.9° | 180.0° |
| C6 | C5 | C4 | N3 | 0.4° | 0.1° |
| C5 | C6 | N6 | N1 | 179.6° | 180.0° |
| C5 | C6 | N6 | HN6 | 138.3° | 0.0° |
| C5 | C6 | N6 | HN6A | 18.3° | 179.9° |
| C5 | C6 | N1 | C2 | 0.2° | 0.0° |
| C4 | C5 | C6 | N6 | 179.9° | 179.7° |
| C4 | C5 | C6 | N1 | 0.5° | 0.2° |
| C5 | C4 | N3 | C2 | 0.0° | 0.2° |
| C4 | N3 | C2 | N1 | 0.3° | 0.5° |
| C4 | N3 | C2 | H2 | 179.7° | 179.9° |
| C6 | N6 | HN6 | HN6A | 120.0° | 179.9° |
| N6 | C6 | N1 | C2 | 179.8° | 180.0° |
| N1 | C6 | N6 | HN6 | 41.3° | 179.9° |
| N1 | C6 | N6 | HN6A | 161.3° | 0.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.4° |
| C6 | N1 | C2 | H2 | 179.8° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.6° |
