ACP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PG | O1G | doub | 1.48Å | 1.50Å | |
| PG | O2G | sing | 1.61Å | 1.61Å | |
| PG | O3G | sing | 1.61Å | 1.48Å | |
| PG | C3B | sing | 1.82Å | 1.84Å | |
| O2G | HOG2 | sing | 0.97Å | 0.95Å | |
| O3G | HOG3 | sing | 0.97Å | 0.95Å | |
| PB | O1B | doub | 1.48Å | 1.48Å | |
| PB | O2B | sing | 1.61Å | 1.50Å | |
| PB | C3B | sing | 1.82Å | 1.84Å | |
| PB | O3A | sing | 1.61Å | 1.58Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| C3B | H3B1 | sing | 1.09Å | 1.11Å | |
| C3B | H3B2 | sing | 1.09Å | 1.12Å | |
| PA | O1A | doub | 1.48Å | 1.49Å | |
| PA | O2A | sing | 1.61Å | 1.48Å | |
| PA | O3A | sing | 1.61Å | 1.61Å | |
| 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 | 1.52Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.45Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| 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 | 1.49Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.32Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.34Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.33Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.31Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | PG | O2G | 108.7° | 109.5° |
| O1G | PG | O3G | 112.7° | 109.5° |
| O1G | PG | C3B | 110.9° | 109.5° |
| O2G | PG | O3G | 112.5° | 109.4° |
| O2G | PG | C3B | 102.5° | 109.5° |
| PG | O2G | HOG2 | 108.7° | 106.8° |
| O3G | PG | C3B | 109.1° | 109.5° |
| PG | O3G | HOG3 | 112.7° | 106.8° |
| PG | C3B | PB | 122.5° | 109.5° |
| PG | C3B | H3B1 | 107.6° | 109.4° |
| PG | C3B | H3B2 | 107.6° | 109.5° |
| O1B | PB | O2B | 113.4° | 109.5° |
| O1B | PB | C3B | 105.9° | 109.5° |
| O1B | PB | O3A | 107.2° | 109.5° |
| O2B | PB | C3B | 109.0° | 109.5° |
| O2B | PB | O3A | 111.2° | 109.5° |
| PB | O2B | HOB2 | 113.4° | 106.8° |
| C3B | PB | O3A | 110.0° | 109.5° |
| PB | C3B | H3B1 | 107.6° | 109.5° |
| PB | C3B | H3B2 | 107.6° | 109.5° |
| PB | O3A | PA | 134.6° | 106.8° |
| H3B1 | C3B | H3B2 | 102.2° | 109.5° |
| O1A | PA | O2A | 111.6° | 109.5° |
| O1A | PA | O3A | 110.6° | 109.4° |
| O1A | PA | O5' | 110.5° | 109.5° |
| O2A | PA | O3A | 110.6° | 109.5° |
| O2A | PA | O5' | 111.2° | 109.4° |
| PA | O2A | HOA2 | 111.6° | 106.8° |
| O3A | PA | O5' | 102.0° | 109.5° |
| PA | O5' | C5' | 119.9° | 106.8° |
| O5' | C5' | C4' | 109.0° | 109.5° |
| O5' | C5' | H5'1 | 112.4° | 109.6° |
| O5' | C5' | H5'2 | 112.4° | 109.5° |
| C4' | C5' | H5'1 | 112.3° | 109.4° |
| C4' | C5' | H5'2 | 112.3° | 109.4° |
| C5' | C4' | O4' | 108.4° | 110.4° |
| C5' | C4' | C3' | 112.1° | 110.5° |
| C5' | C4' | H4' | 107.6° | 110.3° |
| H5'1 | C5' | H5'2 | 98.1° | 109.5° |
| O4' | C4' | C3' | 106.9° | 104.8° |
| O4' | C4' | H4' | 112.8° | 110.3° |
| C4' | O4' | C1' | 108.4° | 105.3° |
| C3' | C4' | H4' | 109.1° | 110.3° |
| C4' | C3' | O3' | 111.2° | 110.6° |
| C4' | C3' | C2' | 102.9° | 104.1° |
| C4' | C3' | H3' | 113.9° | 110.5° |
| O4' | C1' | C2' | 106.8° | 104.9° |
| O4' | C1' | N9 | 106.8° | 110.4° |
| O4' | C1' | H1' | 113.9° | 110.4° |
| O3' | C3' | C2' | 112.9° | 110.5° |
| O3' | C3' | H3' | 104.0° | 110.5° |
| C3' | O3' | HO3' | 111.2° | 106.8° |
| C2' | C3' | H3' | 112.2° | 110.5° |
| C3' | C2' | O2' | 115.3° | 110.5° |
| C3' | C2' | C1' | 100.7° | 104.0° |
| C3' | C2' | H2' | 114.6° | 110.5° |
| O2' | C2' | C1' | 116.9° | 110.8° |
| O2' | C2' | H2' | 97.4° | 110.5° |
| C2' | O2' | HO2' | 115.3° | 106.8° |
| C1' | C2' | H2' | 112.8° | 110.5° |
| C2' | C1' | N9 | 112.4° | 110.4° |
| C2' | C1' | H1' | 108.5° | 110.3° |
| N9 | C1' | H1' | 108.5° | 110.3° |
| C1' | N9 | C8 | 126.1° | 126.2° |
| C1' | N9 | C4 | 124.2° | 126.4° |
| C8 | N9 | C4 | 109.2° | 107.4° |
| N9 | C8 | N7 | 107.9° | 110.0° |
| N9 | C8 | H8 | 125.7° | 125.0° |
| N9 | C4 | C5 | 107.2° | 106.0° |
| N9 | C4 | N3 | 133.4° | 134.9° |
| N7 | C8 | H8 | 126.4° | 125.0° |
| C8 | N7 | C5 | 108.8° | 109.5° |
| N7 | C5 | C6 | 134.4° | 134.7° |
| N7 | C5 | C4 | 106.9° | 107.1° |
| C6 | C5 | C4 | 118.8° | 118.2° |
| C5 | C6 | N6 | 121.7° | 120.7° |
| C5 | C6 | N1 | 117.8° | 118.5° |
| C5 | C4 | N3 | 119.4° | 119.0° |
| N6 | C6 | N1 | 120.3° | 120.8° |
| C6 | N6 | HN61 | 121.7° | 120.0° |
| C6 | N6 | HN62 | 107.8° | 120.0° |
| C6 | N1 | C2 | 121.6° | 121.2° |
| HN61 | N6 | HN62 | 107.9° | 120.0° |
| N1 | C2 | N3 | 121.0° | 122.5° |
| N1 | C2 | H2 | 120.3° | 118.8° |
| N3 | C2 | H2 | 118.7° | 118.7° |
| C2 | N3 | C4 | 121.4° | 120.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O2G | O3G | 125.5° | 120.0° |
| O1G | PG | O2G | C3B | 117.5° | 120.0° |
| O1G | PG | O3G | C3B | 123.7° | 120.0° |
| O1G | PG | O2G | HOG2 | 180.0° | 60.0° |
| O1G | PG | O3G | HOG3 | 179.9° | 180.0° |
| O1G | PG | C3B | PB | 80.3° | 60.0° |
| O1G | PG | C3B | H3B1 | 154.4° | 60.0° |
| O1G | PG | C3B | H3B2 | 45.0° | 180.0° |
| O2G | PG | O3G | C3B | 113.0° | 120.0° |
| O2G | PG | O3G | HOG3 | 56.7° | 60.0° |
| O2G | PG | C3B | PB | 35.6° | 180.0° |
| O2G | PG | C3B | H3B1 | 89.7° | 60.0° |
| O2G | PG | C3B | H3B2 | 160.8° | 60.0° |
| O3G | PG | O2G | HOG2 | 54.5° | 60.0° |
| O3G | PG | C3B | PB | 155.0° | 60.0° |
| O3G | PG | C3B | H3B1 | 29.7° | 180.0° |
| O3G | PG | C3B | H3B2 | 79.8° | 60.0° |
| C3B | PG | O2G | HOG2 | 62.5° | 180.0° |
| C3B | PG | O3G | HOG3 | 56.3° | 60.0° |
| PG | C3B | PB | O1B | 54.1° | 60.0° |
| PG | C3B | PB | O2B | 68.2° | 60.0° |
| PG | C3B | PB | H3B1 | 125.3° | 120.0° |
| PG | C3B | PB | H3B2 | 125.3° | 120.0° |
| PG | C3B | PB | O3A | 169.6° | 180.0° |
| PG | C3B | H3B1 | H3B2 | 113.1° | 120.0° |
| O1B | PB | O2B | C3B | 117.7° | 120.0° |
| O1B | PB | O2B | O3A | 120.8° | 120.0° |
| O1B | PB | C3B | O3A | 115.5° | 120.0° |
| O1B | PB | O2B | HOB2 | 180.0° | 180.0° |
| O1B | PB | C3B | H3B1 | 71.2° | 180.0° |
| O1B | PB | C3B | H3B2 | 179.4° | 60.0° |
| O1B | PB | O3A | PA | 38.8° | 60.0° |
| O2B | PB | C3B | O3A | 122.1° | 120.0° |
| O2B | PB | C3B | H3B1 | 166.5° | 60.0° |
| O2B | PB | C3B | H3B2 | 57.1° | 180.0° |
| O2B | PB | O3A | PA | 163.2° | 60.0° |
| C3B | PB | O2B | HOB2 | 62.2° | 60.0° |
| PB | C3B | H3B1 | H3B2 | 113.1° | 120.0° |
| C3B | PB | O3A | PA | 75.9° | 180.0° |
| O3A | PB | O2B | HOB2 | 59.2° | 60.0° |
| O3A | PB | C3B | H3B1 | 44.4° | 60.0° |
| O3A | PB | C3B | H3B2 | 65.1° | 60.0° |
| PB | O3A | PA | O1A | 35.1° | 60.0° |
| PB | O3A | PA | O2A | 89.0° | 60.0° |
| PB | O3A | PA | O5' | 152.6° | 180.0° |
| O1A | PA | O2A | O3A | 123.6° | 120.0° |
| O1A | PA | O2A | O5' | 123.9° | 120.0° |
| O1A | PA | O3A | O5' | 117.5° | 120.0° |
| O1A | PA | O2A | HOA2 | 180.0° | 180.0° |
| O1A | PA | O5' | C5' | 69.2° | 60.0° |
| O2A | PA | O3A | O5' | 118.4° | 120.0° |
| O2A | PA | O5' | C5' | 166.3° | 60.0° |
| O3A | PA | O2A | HOA2 | 56.4° | 60.1° |
| O3A | PA | O5' | C5' | 48.4° | 180.0° |
| O5' | PA | O2A | HOA2 | 56.1° | 60.0° |
| PA | O5' | C5' | C4' | 153.9° | 180.0° |
| PA | O5' | C5' | H5'1 | 28.6° | 60.0° |
| PA | O5' | C5' | H5'2 | 80.9° | 60.1° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.1° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 118.4° | 120.1° |
| O5' | C5' | C4' | O4' | 71.7° | 61.4° |
| O5' | C5' | C4' | C3' | 46.1° | 176.9° |
| O5' | C5' | C4' | H4' | 166.1° | 60.8° |
| C4' | C5' | H5'1 | H5'2 | 118.2° | 119.9° |
| C5' | C4' | O4' | C3' | 121.1° | 119.0° |
| C5' | C4' | O4' | H4' | 119.0° | 122.2° |
| C5' | C4' | C3' | H4' | 119.1° | 122.3° |
| C5' | C4' | O4' | C1' | 114.8° | 159.5° |
| C5' | C4' | C3' | O3' | 147.7° | 98.4° |
| C5' | C4' | C3' | C2' | 91.1° | 142.9° |
| C5' | C4' | C3' | H3' | 30.6° | 24.3° |
| H5'1 | C5' | C4' | O4' | 163.1° | 178.5° |
| H5'1 | C5' | C4' | C3' | 79.1° | 63.0° |
| H5'1 | C5' | C4' | H4' | 40.8° | 59.3° |
| H5'2 | C5' | C4' | O4' | 53.6° | 58.6° |
| H5'2 | C5' | C4' | C3' | 171.4° | 56.9° |
| H5'2 | C5' | C4' | H4' | 68.6° | 179.2° |
| O4' | C4' | C3' | H4' | 122.2° | 118.8° |
| O4' | C4' | C3' | O3' | 93.5° | 142.7° |
| O4' | C4' | C3' | C2' | 27.6° | 24.0° |
| O4' | C4' | C3' | H3' | 149.4° | 94.6° |
| C4' | O4' | C1' | C2' | 17.7° | 40.4° |
| C4' | O4' | C1' | N9 | 138.2° | 159.4° |
| C4' | O4' | C1' | H1' | 102.1° | 78.4° |
| C3' | C4' | O4' | C1' | 6.3° | 40.5° |
| C4' | C3' | O3' | C2' | 115.1° | 114.7° |
| C4' | C3' | O3' | H3' | 123.0° | 122.6° |
| C4' | C3' | C2' | H3' | 122.8° | 118.6° |
| C4' | C3' | O3' | HO3' | 180.0° | 179.9° |
| C4' | C3' | C2' | O2' | 163.2° | 118.8° |
| C4' | C3' | C2' | C1' | 36.4° | 0.1° |
| C4' | C3' | C2' | H2' | 84.9° | 118.6° |
| H4' | C4' | O4' | C1' | 126.2° | 78.3° |
| H4' | C4' | C3' | O3' | 28.7° | 23.9° |
| H4' | C4' | C3' | C2' | 149.8° | 94.8° |
| H4' | C4' | C3' | H3' | 88.4° | 146.6° |
| O4' | C1' | C2' | C3' | 34.1° | 23.9° |
| O4' | C1' | C2' | O2' | 159.7° | 142.6° |
| O4' | C1' | C2' | N9 | 116.8° | 119.0° |
| O4' | C1' | C2' | H1' | 123.2° | 118.9° |
| O4' | C1' | C2' | H2' | 88.5° | 94.7° |
| O4' | C1' | N9 | H1' | 123.2° | 122.3° |
| O4' | C1' | N9 | C8 | 53.6° | 27.1° |
| O4' | C1' | N9 | C4 | 135.1° | 153.0° |
| O3' | C3' | C2' | H3' | 117.2° | 122.7° |
| O3' | C3' | C2' | O2' | 43.2° | 0.1° |
| O3' | C3' | C2' | C1' | 83.5° | 118.8° |
| O3' | C3' | C2' | H2' | 155.1° | 122.6° |
| C2' | C3' | O3' | HO3' | 64.9° | 65.4° |
| C3' | C2' | O2' | C1' | 118.0° | 114.7° |
| C3' | C2' | O2' | H2' | 121.7° | 122.6° |
| C3' | C2' | C1' | H2' | 122.6° | 118.6° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.5° |
| C3' | C2' | C1' | N9 | 150.9° | 142.8° |
| C3' | C2' | C1' | H1' | 89.1° | 95.0° |
| H3' | C3' | O3' | HO3' | 57.0° | 57.3° |
| H3' | C3' | C2' | O2' | 74.0° | 122.6° |
| H3' | C3' | C2' | C1' | 159.3° | 118.5° |
| H3' | C3' | C2' | H2' | 37.9° | 0.0° |
| O2' | C2' | C1' | H2' | 111.8° | 122.7° |
| O2' | C2' | C1' | N9 | 83.5° | 98.5° |
| O2' | C2' | C1' | H1' | 36.5° | 23.7° |
| C1' | C2' | O2' | HO2' | 61.9° | 176.2° |
| C2' | C1' | N9 | H1' | 120.0° | 122.1° |
| C2' | C1' | N9 | C8 | 63.2° | 88.5° |
| C2' | C1' | N9 | C4 | 108.1° | 91.5° |
| H2' | C2' | O2' | HO2' | 58.4° | 61.1° |
| H2' | C2' | C1' | N9 | 28.3° | 24.3° |
| H2' | C2' | C1' | H1' | 148.3° | 146.4° |
| C1' | N9 | C8 | C4 | 172.4° | 180.0° |
| C1' | N9 | C8 | N7 | 171.4° | 180.0° |
| C1' | N9 | C8 | H8 | 8.7° | 0.1° |
| C1' | N9 | C4 | C5 | 171.4° | 179.8° |
| C1' | N9 | C4 | N3 | 8.2° | 0.0° |
| H1' | C1' | N9 | C8 | 176.8° | 149.4° |
| H1' | C1' | N9 | C4 | 11.9° | 30.7° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.4° | 0.3° |
| C8 | N9 | C4 | C5 | 1.2° | 0.2° |
| C8 | N9 | C4 | N3 | 179.2° | 180.0° |
| C4 | N9 | C8 | N7 | 1.0° | 0.1° |
| C4 | N9 | C8 | H8 | 178.9° | 180.0° |
| N9 | C4 | C5 | N7 | 0.9° | 0.4° |
| N9 | C4 | C5 | C6 | 179.0° | 179.6° |
| N9 | C4 | C5 | N3 | 179.6° | 179.9° |
| N9 | C4 | N3 | C2 | 179.2° | 180.0° |
| C8 | N7 | C5 | C6 | 179.6° | 179.5° |
| C8 | N7 | C5 | C4 | 0.3° | 0.4° |
| H8 | C8 | N7 | C5 | 179.5° | 179.8° |
| N7 | C5 | C6 | C4 | 179.9° | 179.0° |
| N7 | C5 | C6 | N6 | 8.0° | 0.8° |
| N7 | C5 | C6 | N1 | 178.3° | 179.5° |
| N7 | C5 | C4 | N3 | 179.4° | 179.8° |
| C5 | C6 | N6 | N1 | 173.5° | 179.7° |
| C5 | C6 | N6 | HN61 | 180.0° | 179.7° |
| C5 | C6 | N6 | HN62 | 54.7° | 0.6° |
| C5 | C6 | N1 | C2 | 1.1° | 0.3° |
| C6 | C5 | C4 | N3 | 0.7° | 0.5° |
| C4 | C5 | C6 | N6 | 171.9° | 179.8° |
| C4 | C5 | C6 | N1 | 1.8° | 0.5° |
| C5 | C4 | N3 | C2 | 1.3° | 0.2° |
| C6 | N6 | HN61 | HN62 | 125.3° | 179.7° |
| N6 | C6 | N1 | C2 | 172.7° | 180.0° |
| N1 | C6 | N6 | HN61 | 6.5° | 0.0° |
| N1 | C6 | N6 | HN62 | 118.8° | 179.7° |
| C6 | N1 | C2 | N3 | 0.9° | 0.0° |
| C6 | N1 | C2 | H2 | 179.1° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 2.1° | 0.1° |
| H2 | C2 | N3 | C4 | 177.9° | 180.0° |
