APC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PG | O1G | doub | 1.48Å | 1.48Å | |
| PG | O2G | sing | 1.61Å | 1.51Å | |
| PG | O3G | sing | 1.61Å | 1.52Å | |
| PG | O3B | sing | 1.61Å | 1.61Å | |
| O2G | HOG2 | sing | 0.97Å | 0.95Å | |
| O3G | HOG3 | sing | 0.97Å | 0.95Å | |
| PB | O1B | doub | 1.48Å | 1.53Å | |
| PB | O2B | sing | 1.61Å | 1.50Å | |
| PB | O3B | sing | 1.61Å | 1.60Å | |
| PB | C3A | sing | 1.82Å | 1.79Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| PA | O1A | doub | 1.48Å | 1.53Å | |
| PA | O2A | sing | 1.61Å | 1.50Å | |
| PA | C3A | sing | 1.82Å | 1.77Å | |
| PA | O5' | sing | 1.61Å | 1.60Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| C3A | H3A1 | sing | 1.09Å | 1.12Å | |
| C3A | H3A2 | sing | 1.09Å | 1.12Å | |
| O5' | C5' | sing | 1.43Å | 1.49Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.48Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.47Å | |
| C3' | O3' | sing | 1.43Å | 1.37Å | |
| C3' | C2' | sing | 1.55Å | 1.49Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.45Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.45Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N9 | C8 | sing | 1.36Å | 1.43Å | 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 | 1.35Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.37Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.30Å | |
| C6 | N1 | doub | 1.33Å | 1.39Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | sing | 1.32Å | 1.29Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.38Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | PG | O2G | 113.2° | 109.5° |
| O1G | PG | O3G | 112.9° | 109.5° |
| O1G | PG | O3B | 109.1° | 109.5° |
| O2G | PG | O3G | 111.0° | 109.4° |
| O2G | PG | O3B | 103.3° | 109.5° |
| PG | O2G | HOG2 | 113.2° | 106.8° |
| O3G | PG | O3B | 106.7° | 109.4° |
| PG | O3G | HOG3 | 112.9° | 106.8° |
| PG | O3B | PB | 126.9° | 106.8° |
| O1B | PB | O2B | 119.5° | 109.5° |
| O1B | PB | O3B | 105.2° | 109.4° |
| O1B | PB | C3A | 108.0° | 109.5° |
| O2B | PB | O3B | 109.3° | 109.4° |
| O2B | PB | C3A | 109.0° | 109.5° |
| PB | O2B | HOB2 | 119.4° | 106.7° |
| O3B | PB | C3A | 104.9° | 109.5° |
| PB | C3A | PA | 113.1° | 109.5° |
| PB | C3A | H3A1 | 110.9° | 109.5° |
| PB | C3A | H3A2 | 110.9° | 109.5° |
| O1A | PA | O2A | 115.6° | 109.5° |
| O1A | PA | C3A | 109.3° | 109.5° |
| O1A | PA | O5' | 104.8° | 109.4° |
| O2A | PA | C3A | 111.4° | 109.5° |
| O2A | PA | O5' | 109.0° | 109.5° |
| PA | O2A | HOA2 | 115.5° | 106.8° |
| C3A | PA | O5' | 106.2° | 109.6° |
| PA | C3A | H3A1 | 110.9° | 109.4° |
| PA | C3A | H3A2 | 110.9° | 109.5° |
| PA | O5' | C5' | 119.3° | 106.9° |
| H3A1 | C3A | H3A2 | 99.4° | 109.4° |
| O5' | C5' | C4' | 105.7° | 109.5° |
| O5' | C5' | H5'1 | 113.7° | 109.5° |
| O5' | C5' | H5'2 | 113.6° | 109.5° |
| C4' | C5' | H5'1 | 113.6° | 109.4° |
| C4' | C5' | H5'2 | 113.6° | 109.5° |
| C5' | C4' | O4' | 110.1° | 110.3° |
| C5' | C4' | C3' | 118.4° | 110.5° |
| C5' | C4' | H4' | 101.8° | 110.3° |
| H5'1 | C5' | H5'2 | 96.8° | 109.5° |
| O4' | C4' | C3' | 107.1° | 104.8° |
| O4' | C4' | H4' | 114.3° | 110.4° |
| C4' | O4' | C1' | 101.3° | 105.2° |
| C3' | C4' | H4' | 105.2° | 110.4° |
| C4' | C3' | O3' | 115.7° | 110.5° |
| C4' | C3' | C2' | 103.1° | 104.1° |
| C4' | C3' | H3' | 111.9° | 110.5° |
| O4' | C1' | C2' | 105.1° | 104.9° |
| O4' | C1' | N9 | 108.3° | 110.4° |
| O4' | C1' | H1' | 116.1° | 110.3° |
| O3' | C3' | C2' | 115.1° | 110.5° |
| O3' | C3' | H3' | 99.0° | 110.4° |
| C3' | O3' | HO3' | 115.7° | 106.8° |
| C2' | C3' | H3' | 112.5° | 110.6° |
| C3' | C2' | O2' | 112.1° | 110.5° |
| C3' | C2' | C1' | 105.3° | 104.0° |
| C3' | C2' | H2' | 110.9° | 110.5° |
| O2' | C2' | C1' | 110.5° | 110.8° |
| O2' | C2' | H2' | 105.8° | 110.5° |
| C2' | O2' | HO2' | 112.1° | 106.8° |
| C1' | C2' | H2' | 112.5° | 110.4° |
| C2' | C1' | N9 | 117.4° | 110.4° |
| C2' | C1' | H1' | 106.8° | 110.4° |
| N9 | C1' | H1' | 103.5° | 110.3° |
| C1' | N9 | C8 | 119.8° | 126.3° |
| C1' | N9 | C4 | 131.2° | 126.3° |
| C8 | N9 | C4 | 108.9° | 107.4° |
| N9 | C8 | N7 | 108.3° | 110.0° |
| N9 | C8 | H8 | 128.7° | 125.0° |
| N9 | C4 | C5 | 106.7° | 106.0° |
| N9 | C4 | N3 | 129.1° | 134.9° |
| N7 | C8 | H8 | 122.9° | 125.0° |
| C8 | N7 | C5 | 105.8° | 109.5° |
| N7 | C5 | C6 | 127.9° | 134.7° |
| N7 | C5 | C4 | 110.3° | 107.1° |
| C6 | C5 | C4 | 121.8° | 118.2° |
| C5 | C6 | N6 | 129.0° | 120.8° |
| C5 | C6 | N1 | 116.3° | 118.5° |
| C5 | C4 | N3 | 124.2° | 119.1° |
| N6 | C6 | N1 | 114.7° | 120.8° |
| C6 | N6 | HN61 | 129.0° | 120.0° |
| C6 | N6 | HN62 | 105.4° | 120.0° |
| C6 | N1 | C2 | 118.6° | 121.2° |
| HN61 | N6 | HN62 | 105.4° | 120.0° |
| N1 | C2 | N3 | 130.2° | 122.5° |
| N1 | C2 | H2 | 109.0° | 118.8° |
| N3 | C2 | H2 | 120.8° | 118.8° |
| C2 | N3 | C4 | 108.9° | 120.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O2G | O3G | 128.1° | 120.0° |
| O1G | PG | O2G | O3B | 117.8° | 120.0° |
| O1G | PG | O3G | O3B | 119.8° | 120.0° |
| O1G | PG | O2G | HOG2 | 180.0° | 60.0° |
| O1G | PG | O3G | HOG3 | 180.0° | 180.0° |
| O1G | PG | O3B | PB | 56.0° | 60.0° |
| O2G | PG | O3G | O3B | 111.9° | 120.0° |
| O2G | PG | O3G | HOG3 | 51.7° | 60.0° |
| O2G | PG | O3B | PB | 176.7° | 180.0° |
| O3G | PG | O2G | HOG2 | 51.9° | 60.0° |
| O3G | PG | O3B | PB | 66.2° | 60.0° |
| O3B | PG | O2G | HOG2 | 62.2° | 180.0° |
| O3B | PG | O3G | HOG3 | 60.2° | 60.0° |
| PG | O3B | PB | O1B | 22.3° | 60.0° |
| PG | O3B | PB | O2B | 151.8° | 60.0° |
| PG | O3B | PB | C3A | 91.4° | 180.0° |
| O1B | PB | O2B | O3B | 121.2° | 120.0° |
| O1B | PB | O2B | C3A | 124.7° | 120.0° |
| O1B | PB | O3B | C3A | 113.8° | 120.0° |
| O1B | PB | O2B | HOB2 | 180.0° | 180.0° |
| O1B | PB | C3A | PA | 70.4° | 60.0° |
| O1B | PB | C3A | H3A1 | 164.2° | 60.0° |
| O1B | PB | C3A | H3A2 | 54.8° | 179.9° |
| O2B | PB | O3B | C3A | 116.7° | 120.0° |
| O2B | PB | C3A | PA | 60.8° | 60.0° |
| O2B | PB | C3A | H3A1 | 64.6° | 180.0° |
| O2B | PB | C3A | H3A2 | 173.9° | 60.0° |
| O3B | PB | O2B | HOB2 | 58.8° | 60.0° |
| O3B | PB | C3A | PA | 177.7° | 180.0° |
| O3B | PB | C3A | H3A1 | 52.4° | 60.0° |
| O3B | PB | C3A | H3A2 | 57.0° | 60.0° |
| C3A | PB | O2B | HOB2 | 55.3° | 60.0° |
| PB | C3A | PA | O1A | 36.2° | 60.0° |
| PB | C3A | PA | O2A | 92.7° | 60.0° |
| PB | C3A | PA | H3A1 | 125.3° | 120.0° |
| PB | C3A | PA | H3A2 | 125.3° | 120.0° |
| PB | C3A | PA | O5' | 148.7° | 180.0° |
| PB | C3A | H3A1 | H3A2 | 116.7° | 120.0° |
| O1A | PA | O2A | C3A | 125.5° | 120.0° |
| O1A | PA | O2A | O5' | 117.7° | 119.9° |
| O1A | PA | C3A | O5' | 112.6° | 120.0° |
| O1A | PA | O2A | HOA2 | 180.0° | 180.0° |
| O1A | PA | C3A | H3A1 | 161.5° | 60.0° |
| O1A | PA | C3A | H3A2 | 89.1° | 180.0° |
| O1A | PA | O5' | C5' | 172.8° | 60.0° |
| O2A | PA | C3A | O5' | 118.6° | 120.0° |
| O2A | PA | C3A | H3A1 | 32.6° | 180.0° |
| O2A | PA | C3A | H3A2 | 142.0° | 60.0° |
| O2A | PA | O5' | C5' | 48.5° | 60.0° |
| C3A | PA | O2A | HOA2 | 54.5° | 60.1° |
| PA | C3A | H3A1 | H3A2 | 116.7° | 120.0° |
| C3A | PA | O5' | C5' | 71.6° | 180.0° |
| O5' | PA | O2A | HOA2 | 62.3° | 60.0° |
| O5' | PA | C3A | H3A1 | 85.9° | 60.0° |
| O5' | PA | C3A | H3A2 | 23.5° | 60.0° |
| PA | O5' | C5' | C4' | 163.7° | 180.0° |
| PA | O5' | C5' | H5'1 | 71.0° | 60.0° |
| PA | O5' | C5' | H5'2 | 38.5° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 119.6° | 120.1° |
| O5' | C5' | C4' | O4' | 64.5° | 61.4° |
| O5' | C5' | C4' | C3' | 59.1° | 176.9° |
| O5' | C5' | C4' | H4' | 173.8° | 60.7° |
| C4' | C5' | H5'1 | H5'2 | 119.5° | 119.9° |
| C5' | C4' | O4' | C3' | 130.0° | 119.0° |
| C5' | C4' | O4' | H4' | 113.9° | 122.1° |
| C5' | C4' | C3' | H4' | 112.8° | 122.3° |
| C5' | C4' | O4' | C1' | 173.7° | 159.5° |
| C5' | C4' | C3' | O3' | 74.9° | 98.4° |
| C5' | C4' | C3' | C2' | 158.6° | 143.0° |
| C5' | C4' | C3' | H3' | 37.5° | 24.2° |
| H5'1 | C5' | C4' | O4' | 170.2° | 178.6° |
| H5'1 | C5' | C4' | C3' | 66.2° | 63.1° |
| H5'1 | C5' | C4' | H4' | 48.5° | 59.3° |
| H5'2 | C5' | C4' | O4' | 60.7° | 58.6° |
| H5'2 | C5' | C4' | C3' | 175.6° | 56.8° |
| H5'2 | C5' | C4' | H4' | 60.9° | 179.2° |
| O4' | C4' | C3' | H4' | 122.0° | 118.8° |
| O4' | C4' | C3' | O3' | 160.0° | 142.7° |
| O4' | C4' | C3' | C2' | 33.5° | 24.1° |
| O4' | C4' | C3' | H3' | 87.6° | 94.7° |
| C4' | O4' | C1' | C2' | 36.0° | 40.4° |
| C4' | O4' | C1' | N9 | 162.3° | 159.4° |
| C4' | O4' | C1' | H1' | 81.8° | 78.5° |
| C3' | C4' | O4' | C1' | 43.7° | 40.5° |
| C4' | C3' | O3' | C2' | 120.1° | 114.7° |
| C4' | C3' | O3' | H3' | 119.7° | 122.6° |
| C4' | C3' | C2' | H3' | 120.7° | 118.7° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | O2' | 110.7° | 118.8° |
| C4' | C3' | C2' | C1' | 9.5° | 0.2° |
| C4' | C3' | C2' | H2' | 131.4° | 118.6° |
| H4' | C4' | O4' | C1' | 72.5° | 78.4° |
| H4' | C4' | C3' | O3' | 37.9° | 23.9° |
| H4' | C4' | C3' | C2' | 88.5° | 94.8° |
| H4' | C4' | C3' | H3' | 150.3° | 146.5° |
| O4' | C1' | C2' | C3' | 16.1° | 23.8° |
| O4' | C1' | C2' | O2' | 137.3° | 142.6° |
| O4' | C1' | C2' | N9 | 120.5° | 118.9° |
| O4' | C1' | C2' | H1' | 123.9° | 118.9° |
| O4' | C1' | C2' | H2' | 104.8° | 94.7° |
| O4' | C1' | N9 | H1' | 123.8° | 122.2° |
| O4' | C1' | N9 | C8 | 109.2° | 27.1° |
| O4' | C1' | N9 | C4 | 68.1° | 152.9° |
| O3' | C3' | C2' | H3' | 112.5° | 122.6° |
| O3' | C3' | C2' | O2' | 16.2° | 0.2° |
| O3' | C3' | C2' | C1' | 136.4° | 118.8° |
| O3' | C3' | C2' | H2' | 101.8° | 122.7° |
| C2' | C3' | O3' | HO3' | 59.9° | 65.4° |
| C3' | C2' | O2' | C1' | 117.1° | 114.7° |
| C3' | C2' | O2' | H2' | 121.0° | 122.6° |
| C3' | C2' | C1' | H2' | 120.9° | 118.5° |
| C3' | C2' | O2' | HO2' | 179.9° | 61.4° |
| C3' | C2' | C1' | N9 | 136.6° | 142.7° |
| C3' | C2' | C1' | H1' | 107.8° | 95.1° |
| H3' | C3' | O3' | HO3' | 60.3° | 57.4° |
| H3' | C3' | C2' | O2' | 128.6° | 122.5° |
| H3' | C3' | C2' | C1' | 111.2° | 118.6° |
| H3' | C3' | C2' | H2' | 10.7° | 0.1° |
| O2' | C2' | C1' | H2' | 117.9° | 122.7° |
| O2' | C2' | C1' | N9 | 102.2° | 98.5° |
| O2' | C2' | C1' | H1' | 13.4° | 23.7° |
| C1' | C2' | O2' | HO2' | 62.9° | 176.2° |
| C2' | C1' | N9 | H1' | 117.4° | 122.2° |
| C2' | C1' | N9 | C8 | 132.0° | 88.5° |
| C2' | C1' | N9 | C4 | 50.7° | 91.5° |
| H2' | C2' | O2' | HO2' | 59.1° | 61.1° |
| H2' | C2' | C1' | N9 | 15.7° | 24.2° |
| H2' | C2' | C1' | H1' | 131.3° | 146.4° |
| C1' | N9 | C8 | C4 | 177.8° | 180.0° |
| C1' | N9 | C8 | N7 | 177.8° | 179.9° |
| C1' | N9 | C8 | H8 | 2.1° | 0.0° |
| C1' | N9 | C4 | C5 | 177.5° | 179.7° |
| C1' | N9 | C4 | N3 | 2.5° | 0.0° |
| H1' | C1' | N9 | C8 | 14.6° | 149.3° |
| H1' | C1' | N9 | C4 | 168.1° | 30.7° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.0° | 0.2° |
| C8 | N9 | C4 | C5 | 0.0° | 0.3° |
| C8 | N9 | C4 | N3 | 180.0° | 180.0° |
| C4 | N9 | C8 | N7 | 0.0° | 0.0° |
| C4 | N9 | C8 | H8 | 179.9° | 180.0° |
| N9 | C4 | C5 | N7 | 0.0° | 0.4° |
| N9 | C4 | C5 | C6 | 180.0° | 179.6° |
| N9 | C4 | C5 | N3 | 180.0° | 179.8° |
| N9 | C4 | N3 | C2 | 180.0° | 180.0° |
| C8 | N7 | C5 | C6 | 180.0° | 179.5° |
| C8 | N7 | C5 | C4 | 0.0° | 0.4° |
| H8 | C8 | N7 | C5 | 180.0° | 179.8° |
| N7 | C5 | C6 | C4 | 180.0° | 179.0° |
| N7 | C5 | C6 | N6 | 0.0° | 0.7° |
| N7 | C5 | C6 | N1 | 180.0° | 179.6° |
| N7 | C5 | C4 | N3 | 180.0° | 179.9° |
| C5 | C6 | N6 | N1 | 180.0° | 179.7° |
| C5 | C6 | N6 | HN61 | 179.9° | 179.7° |
| C5 | C6 | N6 | HN62 | 54.7° | 0.5° |
| C5 | C6 | N1 | C2 | 0.0° | 0.3° |
| C6 | C5 | C4 | N3 | 0.0° | 0.6° |
| C4 | C5 | C6 | N6 | 180.0° | 179.7° |
| C4 | C5 | C6 | N1 | 0.0° | 0.6° |
| C5 | C4 | N3 | C2 | 0.0° | 0.3° |
| C6 | N6 | HN61 | HN62 | 125.2° | 179.7° |
| N6 | C6 | N1 | C2 | 180.0° | 180.0° |
| N1 | C6 | N6 | HN61 | 0.1° | 0.0° |
| N1 | C6 | N6 | HN62 | 125.3° | 179.7° |
| C6 | N1 | C2 | N3 | 0.0° | 0.0° |
| C6 | N1 | C2 | H2 | 179.9° | 179.9° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.0° | 0.0° |
| H2 | C2 | N3 | C4 | 179.9° | 179.9° |
