A0P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.47Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.34Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.48Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.35Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | N9 | sing | 1.47Å | 1.50Å | |
| O3A | PA | sing | 1.61Å | 1.61Å | |
| O5' | PA | sing | 1.61Å | 1.59Å | |
| PA | O1A | doub | 1.48Å | 1.51Å | |
| PA | O2A | sing | 1.61Å | 1.51Å | |
| O2B | PB | doub | 1.48Å | 1.51Å | |
| PB | N3B | sing | 1.68Å | 1.75Å | |
| PB | O1B | sing | 1.61Å | 1.51Å | |
| PB | O3A | sing | 1.61Å | 1.60Å | |
| O3G | PG | doub | 1.48Å | 1.51Å | |
| PG | O2G | sing | 1.61Å | 1.51Å | |
| PG | O1G | sing | 1.61Å | 1.51Å | |
| PG | N3B | sing | 1.68Å | 1.75Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C1' | C2' | sing | 1.54Å | 1.54Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| O1G | HO1G | sing | 0.97Å | 0.95Å | |
| C3' | C2' | sing | 1.54Å | 1.52Å | |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| O2G | HO2G | sing | 0.97Å | 0.95Å | |
| C4' | C3' | sing | 1.54Å | 1.50Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| N3B | HN3B | sing | 1.01Å | 1.00Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| 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 | 121.9° | 121.2° |
| N1 | C2 | N3 | 123.3° | 122.5° |
| N1 | C2 | H2 | 118.4° | 118.7° |
| N1 | C6 | C5 | 117.4° | 118.5° |
| N1 | C6 | N6 | 122.0° | 120.8° |
| N3 | C2 | H2 | 118.4° | 118.8° |
| C2 | N3 | C4 | 121.1° | 120.6° |
| N3 | C4 | N9 | 135.0° | 134.9° |
| N3 | C4 | C5 | 118.4° | 119.1° |
| N9 | C4 | C5 | 106.6° | 106.0° |
| C4 | N9 | C8 | 107.4° | 107.5° |
| C4 | N9 | C1' | 125.6° | 126.3° |
| C4 | C5 | N7 | 106.9° | 107.2° |
| C4 | C5 | C6 | 117.9° | 118.2° |
| N7 | C5 | C6 | 135.2° | 134.7° |
| C5 | N7 | C8 | 107.3° | 109.4° |
| C5 | C6 | N6 | 120.6° | 120.8° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| HN6 | N6 | HN6A | 109.4° | 120.0° |
| N7 | C8 | N9 | 111.7° | 110.0° |
| N7 | C8 | H8 | 124.1° | 125.0° |
| N9 | C8 | H8 | 124.1° | 125.0° |
| C8 | N9 | C1' | 126.9° | 126.2° |
| N9 | C1' | O4' | 105.1° | 110.4° |
| N9 | C1' | C2' | 118.1° | 110.4° |
| N9 | C1' | H1' | 105.3° | 110.3° |
| O3A | PA | O5' | 90.9° | 109.5° |
| O3A | PA | O1A | 111.6° | 109.5° |
| O3A | PA | O2A | 111.4° | 109.5° |
| PA | O3A | PB | 127.7° | 134.0° |
| O5' | PA | O1A | 108.6° | 109.5° |
| O5' | PA | O2A | 109.3° | 109.5° |
| PA | O5' | C5' | 120.8° | 123.0° |
| O1A | PA | O2A | 121.0° | 109.5° |
| PA | O2A | HO2A | 109.5° | 114.0° |
| O2B | PB | N3B | 108.4° | 109.5° |
| O2B | PB | O1B | 119.0° | 109.5° |
| O2B | PB | O3A | 102.4° | 109.5° |
| N3B | PB | O1B | 108.8° | 109.5° |
| N3B | PB | O3A | 110.4° | 109.5° |
| PB | N3B | PG | 119.9° | 111.0° |
| PB | N3B | HN3B | 106.1° | 110.9° |
| O1B | PB | O3A | 107.5° | 109.5° |
| PB | O1B | HO1B | 109.5° | 114.0° |
| O3G | PG | O2G | 113.3° | 109.5° |
| O3G | PG | O1G | 113.5° | 109.5° |
| O3G | PG | N3B | 105.9° | 109.5° |
| O2G | PG | O1G | 114.3° | 109.4° |
| O2G | PG | N3B | 104.6° | 109.5° |
| PG | O2G | HO2G | 109.5° | 114.1° |
| O1G | PG | N3B | 104.0° | 109.5° |
| PG | O1G | HO1G | 109.5° | 114.0° |
| PG | N3B | HN3B | 106.1° | 111.0° |
| O4' | C1' | C2' | 104.3° | 104.9° |
| O4' | C1' | H1' | 118.8° | 110.5° |
| C1' | O4' | C4' | 104.3° | 105.2° |
| C2' | C1' | H1' | 106.0° | 110.4° |
| C1' | C2' | C3' | 105.6° | 104.1° |
| C1' | C2' | O2' | 112.2° | 110.5° |
| C1' | C2' | H2' | 110.1° | 110.5° |
| C3' | C2' | O2' | 109.1° | 110.6° |
| C3' | C2' | H2' | 113.2° | 110.5° |
| C2' | C3' | C4' | 97.7° | 104.0° |
| C2' | C3' | O3' | 114.7° | 110.5° |
| C2' | C3' | H3' | 114.5° | 110.5° |
| O2' | C2' | H2' | 106.8° | 110.4° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C4' | C3' | O3' | 111.4° | 110.5° |
| C4' | C3' | H3' | 117.7° | 110.6° |
| C3' | C4' | C5' | 121.3° | 110.4° |
| C3' | C4' | O4' | 104.0° | 104.8° |
| C3' | C4' | H4' | 105.2° | 110.4° |
| O3' | C3' | H3' | 101.6° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C5' | C4' | O4' | 108.8° | 110.4° |
| C5' | C4' | H4' | 99.9° | 110.4° |
| C4' | C5' | O5' | 98.6° | 109.5° |
| C4' | C5' | H5' | 113.3° | 109.5° |
| C4' | C5' | H5'A | 113.3° | 109.5° |
| O4' | C4' | H4' | 118.5° | 110.3° |
| O5' | C5' | H5' | 113.3° | 109.4° |
| O5' | C5' | H5'A | 113.3° | 109.5° |
| H5' | C5' | H5'A | 105.4° | 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 | 0.3° | 0.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| C2 | N1 | C6 | N6 | 180.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | H2 | 179.9° | 179.9° |
| N1 | C6 | C5 | C4 | 0.0° | 0.0° |
| N1 | C6 | C5 | N7 | 179.8° | 180.0° |
| N1 | C6 | C5 | N6 | 180.0° | 180.0° |
| N1 | C6 | N6 | HN6 | 0.0° | 180.0° |
| N1 | C6 | N6 | HN6A | 120.0° | 0.0° |
| C2 | N3 | C4 | N9 | 178.9° | 180.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.0° |
| H2 | C2 | N3 | C4 | 179.7° | 180.0° |
| N3 | C4 | N9 | C5 | 179.3° | 180.0° |
| N3 | C4 | C5 | N7 | 179.7° | 180.0° |
| N3 | C4 | C5 | C6 | 0.2° | 0.0° |
| N3 | C4 | N9 | C8 | 179.3° | 180.0° |
| N3 | C4 | N9 | C1' | 2.3° | 0.0° |
| N9 | C4 | C5 | N7 | 0.9° | 0.0° |
| N9 | C4 | C5 | C6 | 179.2° | 180.0° |
| C4 | N9 | C8 | N7 | 1.5° | 0.0° |
| C4 | N9 | C8 | C1' | 177.0° | 180.0° |
| C4 | N9 | C8 | H8 | 178.6° | 180.0° |
| C4 | N9 | C1' | O4' | 147.5° | 164.6° |
| C4 | N9 | C1' | C2' | 96.7° | 80.0° |
| C4 | N9 | C1' | H1' | 21.3° | 42.3° |
| C4 | C5 | N7 | C6 | 179.8° | 180.0° |
| C4 | C5 | C6 | N6 | 180.0° | 180.0° |
| C4 | C5 | N7 | C8 | 0.0° | 0.0° |
| C5 | C4 | N9 | C8 | 1.4° | 0.0° |
| C5 | C4 | N9 | C1' | 178.4° | 180.0° |
| N7 | C5 | C6 | N6 | 0.2° | 0.1° |
| C5 | N7 | C8 | N9 | 0.9° | 0.0° |
| C5 | N7 | C8 | H8 | 179.1° | 180.0° |
| C5 | C6 | N6 | HN6 | 180.0° | 0.0° |
| C5 | C6 | N6 | HN6A | 60.0° | 179.9° |
| C6 | C5 | N7 | C8 | 179.8° | 180.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 179.9° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 178.4° | 180.0° |
| C8 | N9 | C1' | O4' | 28.9° | 15.4° |
| C8 | N9 | C1' | C2' | 86.9° | 100.0° |
| C8 | N9 | C1' | H1' | 155.1° | 137.7° |
| H8 | C8 | N9 | C1' | 1.6° | 0.0° |
| N9 | C1' | O4' | C2' | 125.0° | 118.8° |
| N9 | C1' | O4' | H1' | 117.3° | 122.2° |
| N9 | C1' | C2' | H1' | 117.6° | 122.2° |
| N9 | C1' | C2' | C3' | 115.8° | 94.9° |
| N9 | C1' | C2' | O2' | 125.5° | 146.4° |
| N9 | C1' | C2' | H2' | 6.7° | 23.8° |
| N9 | C1' | O4' | C4' | 95.5° | 78.4° |
| O3A | PA | O5' | O1A | 113.1° | 120.0° |
| O3A | PA | O5' | O2A | 113.1° | 120.0° |
| O3A | PA | O1A | O2A | 134.0° | 120.0° |
| PA | O3A | PB | O2B | 158.4° | 60.0° |
| PA | O3A | PB | N3B | 43.1° | 180.0° |
| PA | O3A | PB | O1B | 75.5° | 60.0° |
| O3A | PA | O2A | HO2A | 134.0° | 59.9° |
| O3A | PA | O5' | C5' | 75.1° | 175.0° |
| O5' | PA | O1A | O2A | 127.4° | 120.0° |
| O5' | PA | O3A | PB | 179.3° | 165.0° |
| O5' | PA | O2A | HO2A | 127.1° | 60.0° |
| PA | O5' | C5' | C4' | 123.3° | 180.0° |
| PA | O5' | C5' | H5' | 116.7° | 60.0° |
| PA | O5' | C5' | H5'A | 3.3° | 60.0° |
| O1A | PA | O3A | PB | 68.9° | 45.0° |
| O1A | PA | O2A | HO2A | 0.0° | 179.9° |
| O1A | PA | O5' | C5' | 38.0° | 55.0° |
| O2A | PA | O3A | PB | 69.6° | 75.0° |
| O2A | PA | O5' | C5' | 171.8° | 65.0° |
| O2B | PB | N3B | O1B | 130.8° | 120.0° |
| O2B | PB | N3B | O3A | 111.4° | 120.0° |
| O2B | PB | O1B | O3A | 115.6° | 120.0° |
| O2B | PB | N3B | PG | 37.5° | 60.0° |
| O2B | PB | O1B | HO1B | 0.0° | 179.9° |
| O2B | PB | N3B | HN3B | 157.5° | 64.0° |
| N3B | PB | O1B | O3A | 119.6° | 120.0° |
| PB | N3B | PG | O3G | 64.0° | 60.0° |
| PB | N3B | PG | O2G | 55.9° | 180.0° |
| PB | N3B | PG | O1G | 176.2° | 60.0° |
| PB | N3B | PG | HN3B | 120.0° | 123.9° |
| N3B | PB | O1B | HO1B | 124.8° | 59.9° |
| O1B | PB | N3B | PG | 168.3° | 60.0° |
| O1B | PB | N3B | HN3B | 71.7° | 176.0° |
| O3A | PB | N3B | PG | 73.9° | 180.0° |
| O3A | PB | O1B | HO1B | 115.6° | 60.1° |
| O3A | PB | N3B | HN3B | 46.1° | 56.0° |
| O3G | PG | O2G | O1G | 132.1° | 120.0° |
| O3G | PG | O2G | N3B | 114.8° | 120.0° |
| O3G | PG | O1G | N3B | 114.5° | 120.0° |
| O3G | PG | O1G | HO1G | 0.0° | 180.0° |
| O3G | PG | O2G | HO2G | 0.0° | 59.9° |
| O3G | PG | N3B | HN3B | 176.0° | 176.1° |
| O2G | PG | O1G | N3B | 113.4° | 120.0° |
| O2G | PG | O1G | HO1G | 132.1° | 60.0° |
| O2G | PG | N3B | HN3B | 64.1° | 56.1° |
| O1G | PG | O2G | HO2G | 132.1° | 60.0° |
| O1G | PG | N3B | HN3B | 56.2° | 63.9° |
| N3B | PG | O1G | HO1G | 114.5° | 60.0° |
| N3B | PG | O2G | HO2G | 114.8° | 180.0° |
| O4' | C1' | C2' | H1' | 126.2° | 119.0° |
| O4' | C1' | C2' | C3' | 0.3° | 24.0° |
| O4' | C1' | C2' | O2' | 118.4° | 94.8° |
| O4' | C1' | C2' | H2' | 122.9° | 142.7° |
| C1' | O4' | C4' | C3' | 49.1° | 40.5° |
| C1' | O4' | C4' | C5' | 179.8° | 159.3° |
| C1' | O4' | C4' | H4' | 67.1° | 78.4° |
| C1' | C2' | C3' | O2' | 120.7° | 118.7° |
| C1' | C2' | C3' | H2' | 120.6° | 118.7° |
| C1' | C2' | O2' | H2' | 120.7° | 122.6° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 26.6° | 0.0° |
| C1' | C2' | C3' | O3' | 144.5° | 118.6° |
| C1' | C2' | C3' | H3' | 98.5° | 118.7° |
| C2' | C1' | O4' | C4' | 29.5° | 40.5° |
| H1' | C1' | C2' | C3' | 126.6° | 142.9° |
| H1' | C1' | C2' | O2' | 7.9° | 24.2° |
| H1' | C1' | C2' | H2' | 110.9° | 98.4° |
| H1' | C1' | O4' | C4' | 147.2° | 159.4° |
| C3' | C2' | O2' | H2' | 122.6° | 122.7° |
| C3' | C2' | O2' | HO2' | 63.4° | 65.3° |
| C2' | C3' | C4' | O3' | 120.4° | 118.6° |
| C2' | C3' | C4' | H3' | 122.9° | 118.7° |
| C2' | C3' | O3' | H3' | 124.1° | 122.7° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | C5' | 168.6° | 142.8° |
| C2' | C3' | C4' | O4' | 45.8° | 24.0° |
| C2' | C3' | C4' | H4' | 79.4° | 94.8° |
| O2' | C2' | C3' | C4' | 147.4° | 118.7° |
| O2' | C2' | C3' | O3' | 94.8° | 122.6° |
| O2' | C2' | C3' | H3' | 22.2° | 0.0° |
| H2' | C2' | O2' | HO2' | 59.2° | 57.4° |
| H2' | C2' | C3' | C4' | 93.9° | 118.7° |
| H2' | C2' | C3' | O3' | 23.9° | 0.1° |
| H2' | C2' | C3' | H3' | 140.9° | 122.6° |
| C4' | C3' | O3' | H3' | 126.1° | 122.8° |
| C4' | C3' | O3' | HO3' | 70.2° | 176.1° |
| C3' | C4' | C5' | O4' | 120.5° | 115.4° |
| C3' | C4' | C5' | H4' | 114.7° | 122.3° |
| C3' | C4' | O4' | H4' | 116.3° | 118.9° |
| C3' | C4' | C5' | O5' | 154.6° | 175.0° |
| C3' | C4' | C5' | H5' | 85.4° | 65.0° |
| C3' | C4' | C5' | H5'A | 34.6° | 55.0° |
| O3' | C3' | C4' | C5' | 71.0° | 98.6° |
| O3' | C3' | C4' | O4' | 166.2° | 142.6° |
| O3' | C3' | C4' | H4' | 41.0° | 23.8° |
| H3' | C3' | O3' | HO3' | 55.9° | 61.1° |
| H3' | C3' | C4' | C5' | 45.7° | 24.1° |
| H3' | C3' | C4' | O4' | 77.1° | 94.7° |
| H3' | C3' | C4' | H4' | 157.7° | 146.5° |
| C5' | C4' | O4' | H4' | 113.1° | 122.3° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 124.4° | 120.0° |
| O4' | C4' | C5' | O5' | 84.9° | 69.6° |
| O4' | C4' | C5' | H5' | 35.1° | 50.4° |
| O4' | C4' | C5' | H5'A | 155.0° | 170.4° |
| H4' | C4' | C5' | O5' | 39.9° | 52.6° |
| H4' | C4' | C5' | H5' | 159.9° | 172.6° |
| H4' | C4' | C5' | H5'A | 80.1° | 67.4° |
| O5' | C5' | H5' | H5'A | 124.4° | 120.0° |
