ACQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PG | O1G | doub | 1.48Å | 1.51Å | |
| PG | O2G | sing | 1.61Å | 1.51Å | |
| PG | O3G | sing | 1.61Å | 1.63Å | |
| PG | C3B | sing | 1.82Å | 1.76Å | |
| O2G | HOG2 | sing | 0.97Å | 0.95Å | |
| O3G | PD | sing | 1.61Å | 1.63Å | |
| PB | O1B | doub | 1.48Å | 1.49Å | |
| PB | O2B | sing | 1.61Å | 1.51Å | |
| PB | C3B | sing | 1.82Å | 1.79Å | |
| PB | O3A | sing | 1.61Å | 1.54Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| C3B | H3B1 | sing | 1.09Å | 1.12Å | |
| C3B | H3B2 | sing | 1.09Å | 1.11Å | |
| PA | O1A | doub | 1.48Å | 1.48Å | |
| PA | O2A | sing | 1.61Å | 1.47Å | |
| PA | O3A | sing | 1.61Å | 1.54Å | |
| PA | O5' | sing | 1.61Å | 1.59Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.46Å | |
| 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 | 1.46Å | |
| C4' | C3' | sing | 1.54Å | 1.48Å | |
| 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 | 1.50Å | |
| 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 | 1.56Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.52Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.40Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.35Å | |
| C6 | N1 | doub | 1.33Å | 1.37Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.39Å | Aromatic |
| PD | O1D | doub | 1.48Å | 1.51Å | |
| PD | O2D | sing | 1.61Å | 1.52Å | |
| PD | O3D | sing | 1.61Å | 1.52Å | |
| O2D | HOD2 | sing | 0.97Å | 0.95Å | |
| O3D | HOD3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | PG | O2G | 114.2° | 109.5° |
| O1G | PG | O3G | 115.3° | 109.5° |
| O1G | PG | C3B | 108.4° | 109.5° |
| O2G | PG | O3G | 112.2° | 109.5° |
| O2G | PG | C3B | 101.6° | 109.5° |
| PG | O2G | HOG2 | 114.2° | 106.8° |
| O3G | PG | C3B | 103.5° | 109.5° |
| PG | O3G | PD | 143.0° | 106.8° |
| PG | C3B | PB | 131.3° | 109.5° |
| PG | C3B | H3B1 | 104.6° | 109.5° |
| PG | C3B | H3B2 | 104.6° | 109.5° |
| O3G | PD | O1D | 103.0° | 109.5° |
| O3G | PD | O2D | 108.7° | 109.5° |
| O3G | PD | O3D | 108.8° | 109.5° |
| O1B | PB | O2B | 120.0° | 109.4° |
| O1B | PB | C3B | 105.3° | 109.4° |
| O1B | PB | O3A | 109.1° | 109.5° |
| O2B | PB | C3B | 112.8° | 109.5° |
| O2B | PB | O3A | 111.5° | 109.5° |
| PB | O2B | HOB2 | 119.9° | 106.8° |
| C3B | PB | O3A | 95.3° | 109.5° |
| PB | C3B | H3B1 | 104.7° | 109.4° |
| PB | C3B | H3B2 | 104.7° | 109.5° |
| PB | O3A | PA | 134.7° | 106.9° |
| H3B1 | C3B | H3B2 | 104.3° | 109.5° |
| O1A | PA | O2A | 116.7° | 109.4° |
| O1A | PA | O3A | 107.2° | 109.4° |
| O1A | PA | O5' | 111.9° | 109.5° |
| O2A | PA | O3A | 116.0° | 109.4° |
| O2A | PA | O5' | 108.3° | 109.5° |
| PA | O2A | HOA2 | 116.7° | 106.8° |
| O3A | PA | O5' | 94.6° | 109.5° |
| PA | O5' | C5' | 119.7° | 106.8° |
| O5' | C5' | C4' | 110.3° | 109.5° |
| O5' | C5' | H5'1 | 111.9° | 109.5° |
| O5' | C5' | H5'2 | 111.9° | 109.4° |
| C4' | C5' | H5'1 | 111.9° | 109.5° |
| C4' | C5' | H5'2 | 111.9° | 109.5° |
| C5' | C4' | O4' | 108.0° | 110.4° |
| C5' | C4' | C3' | 113.7° | 110.5° |
| C5' | C4' | H4' | 106.5° | 110.3° |
| H5'1 | C5' | H5'2 | 98.5° | 109.4° |
| O4' | C4' | C3' | 105.8° | 104.8° |
| O4' | C4' | H4' | 114.3° | 110.4° |
| C4' | O4' | C1' | 110.3° | 105.3° |
| C3' | C4' | H4' | 108.7° | 110.4° |
| C4' | C3' | O3' | 109.1° | 110.5° |
| C4' | C3' | C2' | 103.2° | 104.1° |
| C4' | C3' | H3' | 115.3° | 110.5° |
| O4' | C1' | C2' | 103.4° | 104.9° |
| O4' | C1' | N9 | 107.7° | 110.5° |
| O4' | C1' | H1' | 117.2° | 110.4° |
| O3' | C3' | C2' | 113.8° | 110.5° |
| O3' | C3' | H3' | 105.0° | 110.5° |
| C3' | O3' | HO3' | 109.1° | 106.8° |
| C2' | C3' | H3' | 110.7° | 110.6° |
| C3' | C2' | O2' | 111.8° | 110.5° |
| C3' | C2' | C1' | 104.6° | 104.0° |
| C3' | C2' | H2' | 109.8° | 110.5° |
| O2' | C2' | C1' | 104.9° | 110.9° |
| O2' | C2' | H2' | 109.5° | 110.4° |
| C2' | O2' | HO2' | 111.8° | 106.9° |
| C1' | C2' | H2' | 116.2° | 110.4° |
| C2' | C1' | N9 | 116.7° | 110.3° |
| C2' | C1' | H1' | 108.3° | 110.3° |
| N9 | C1' | H1' | 104.1° | 110.3° |
| C1' | N9 | C8 | 129.8° | 126.2° |
| C1' | N9 | C4 | 126.3° | 126.3° |
| C8 | N9 | C4 | 103.9° | 107.4° |
| N9 | C8 | N7 | 115.9° | 110.0° |
| N9 | C8 | H8 | 124.1° | 125.0° |
| N9 | C4 | C5 | 105.9° | 106.0° |
| N9 | C4 | N3 | 127.4° | 134.9° |
| N7 | C8 | H8 | 120.0° | 125.0° |
| C8 | N7 | C5 | 102.4° | 109.4° |
| N7 | C5 | C6 | 132.0° | 134.7° |
| N7 | C5 | C4 | 111.9° | 107.1° |
| C6 | C5 | C4 | 116.1° | 118.1° |
| C5 | C6 | N6 | 121.2° | 120.7° |
| C5 | C6 | N1 | 118.2° | 118.5° |
| C5 | C4 | N3 | 126.7° | 119.1° |
| N6 | C6 | N1 | 120.6° | 120.7° |
| C6 | N6 | HN61 | 121.1° | 120.0° |
| C6 | N6 | HN62 | 108.0° | 120.0° |
| C6 | N1 | C2 | 120.3° | 121.1° |
| HN61 | N6 | HN62 | 108.1° | 120.0° |
| N1 | C2 | N3 | 127.2° | 122.5° |
| N1 | C2 | H2 | 116.1° | 118.7° |
| N3 | C2 | H2 | 116.7° | 118.8° |
| C2 | N3 | C4 | 111.4° | 120.7° |
| O1D | PD | O2D | 113.0° | 109.5° |
| O1D | PD | O3D | 112.7° | 109.5° |
| O2D | PD | O3D | 110.2° | 109.5° |
| PD | O2D | HOD2 | 108.7° | 106.8° |
| PD | O3D | HOD3 | 108.8° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O2G | O3G | 133.6° | 120.0° |
| O1G | PG | O2G | C3B | 116.5° | 120.0° |
| O1G | PG | O3G | C3B | 118.1° | 120.0° |
| O1G | PG | O2G | HOG2 | 180.0° | 180.0° |
| O1G | PG | O3G | PD | 17.1° | 60.0° |
| O1G | PG | C3B | PB | 64.4° | 59.9° |
| O1G | PG | C3B | H3B1 | 170.3° | 59.9° |
| O1G | PG | C3B | H3B2 | 60.9° | 180.0° |
| O2G | PG | O3G | C3B | 108.8° | 120.0° |
| O2G | PG | O3G | PD | 150.2° | 60.0° |
| O2G | PG | C3B | PB | 56.3° | 60.1° |
| O2G | PG | C3B | H3B1 | 69.0° | 179.9° |
| O2G | PG | C3B | H3B2 | 178.4° | 60.0° |
| O3G | PG | O2G | HOG2 | 46.4° | 60.0° |
| O3G | PG | C3B | PB | 172.7° | 179.9° |
| O3G | PG | C3B | H3B1 | 47.5° | 60.1° |
| O3G | PG | C3B | H3B2 | 62.0° | 60.0° |
| PG | O3G | PD | O1D | 14.0° | 60.0° |
| PG | O3G | PD | O2D | 134.2° | 180.0° |
| PG | O3G | PD | O3D | 105.8° | 60.0° |
| C3B | PG | O2G | HOG2 | 63.6° | 60.0° |
| C3B | PG | O3G | PD | 101.0° | 180.0° |
| PG | C3B | PB | O1B | 65.5° | 60.0° |
| PG | C3B | PB | O2B | 67.0° | 59.9° |
| PG | C3B | PB | H3B1 | 125.3° | 119.9° |
| PG | C3B | PB | H3B2 | 125.3° | 120.1° |
| PG | C3B | PB | O3A | 177.0° | 180.0° |
| PG | C3B | H3B1 | H3B2 | 109.7° | 120.1° |
| O3G | PD | O1D | O2D | 117.1° | 120.0° |
| O3G | PD | O1D | O3D | 117.1° | 120.0° |
| O3G | PD | O2D | O3D | 119.2° | 120.0° |
| O3G | PD | O2D | HOD2 | 180.0° | 180.0° |
| O3G | PD | O3D | HOD3 | 179.9° | 60.1° |
| O1B | PB | O2B | C3B | 124.9° | 119.9° |
| O1B | PB | O2B | O3A | 129.3° | 120.0° |
| O1B | PB | C3B | O3A | 111.5° | 120.0° |
| O1B | PB | O2B | HOB2 | 180.0° | 179.9° |
| O1B | PB | C3B | H3B1 | 59.7° | 180.0° |
| O1B | PB | C3B | H3B2 | 169.2° | 60.1° |
| O1B | PB | O3A | PA | 7.4° | 60.0° |
| O2B | PB | C3B | O3A | 115.9° | 120.1° |
| O2B | PB | C3B | H3B1 | 167.7° | 60.0° |
| O2B | PB | C3B | H3B2 | 58.3° | 180.0° |
| O2B | PB | O3A | PA | 127.4° | 60.0° |
| C3B | PB | O2B | HOB2 | 55.1° | 60.0° |
| PB | C3B | H3B1 | H3B2 | 109.7° | 120.0° |
| C3B | PB | O3A | PA | 115.6° | 179.9° |
| O3A | PB | O2B | HOB2 | 50.8° | 60.1° |
| O3A | PB | C3B | H3B1 | 51.8° | 60.1° |
| O3A | PB | C3B | H3B2 | 57.7° | 59.9° |
| PB | O3A | PA | O1A | 60.2° | 60.0° |
| PB | O3A | PA | O2A | 72.2° | 59.9° |
| PB | O3A | PA | O5' | 174.9° | 180.0° |
| O1A | PA | O2A | O3A | 127.9° | 119.9° |
| O1A | PA | O2A | O5' | 127.4° | 120.1° |
| O1A | PA | O3A | O5' | 114.7° | 120.1° |
| O1A | PA | O2A | HOA2 | 180.0° | 180.0° |
| O1A | PA | O5' | C5' | 48.0° | 60.0° |
| O2A | PA | O3A | O5' | 112.9° | 120.0° |
| O2A | PA | O5' | C5' | 178.0° | 60.0° |
| O3A | PA | O2A | HOA2 | 52.1° | 60.1° |
| O3A | PA | O5' | C5' | 62.7° | 180.0° |
| O5' | PA | O2A | HOA2 | 52.7° | 60.0° |
| PA | O5' | C5' | C4' | 162.9° | 180.0° |
| PA | O5' | C5' | H5'1 | 71.9° | 59.9° |
| PA | O5' | C5' | H5'2 | 37.6° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.1° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 117.8° | 120.0° |
| O5' | C5' | C4' | O4' | 57.0° | 61.4° |
| O5' | C5' | C4' | C3' | 60.1° | 176.9° |
| O5' | C5' | C4' | H4' | 179.8° | 60.8° |
| C4' | C5' | H5'1 | H5'2 | 117.8° | 119.9° |
| C5' | C4' | O4' | C3' | 122.1° | 119.0° |
| C5' | C4' | O4' | H4' | 118.3° | 122.2° |
| C5' | C4' | C3' | H4' | 118.4° | 122.2° |
| C5' | C4' | O4' | C1' | 142.1° | 159.5° |
| C5' | C4' | C3' | O3' | 86.4° | 98.3° |
| C5' | C4' | C3' | C2' | 152.3° | 143.0° |
| C5' | C4' | C3' | H3' | 31.4° | 24.2° |
| H5'1 | C5' | C4' | O4' | 177.7° | 178.5° |
| H5'1 | C5' | C4' | C3' | 65.2° | 63.0° |
| H5'1 | C5' | C4' | H4' | 54.5° | 59.3° |
| H5'2 | C5' | C4' | O4' | 68.3° | 58.6° |
| H5'2 | C5' | C4' | C3' | 174.6° | 56.9° |
| H5'2 | C5' | C4' | H4' | 54.9° | 179.2° |
| O4' | C4' | C3' | H4' | 123.1° | 118.8° |
| O4' | C4' | C3' | O3' | 155.1° | 142.8° |
| O4' | C4' | C3' | C2' | 33.9° | 24.1° |
| O4' | C4' | C3' | H3' | 87.0° | 94.7° |
| C4' | O4' | C1' | C2' | 1.9° | 40.4° |
| C4' | O4' | C1' | N9 | 122.2° | 159.3° |
| C4' | O4' | C1' | H1' | 120.9° | 78.4° |
| C3' | C4' | O4' | C1' | 20.0° | 40.5° |
| C4' | C3' | O3' | C2' | 114.6° | 114.7° |
| C4' | C3' | O3' | H3' | 124.2° | 122.6° |
| C4' | C3' | C2' | H3' | 123.9° | 118.7° |
| C4' | C3' | O3' | HO3' | 179.9° | 180.0° |
| C4' | C3' | C2' | O2' | 78.2° | 118.8° |
| C4' | C3' | C2' | C1' | 34.7° | 0.2° |
| C4' | C3' | C2' | H2' | 160.1° | 118.6° |
| H4' | C4' | O4' | C1' | 99.5° | 78.4° |
| H4' | C4' | C3' | O3' | 32.0° | 23.9° |
| H4' | C4' | C3' | C2' | 89.3° | 94.8° |
| H4' | C4' | C3' | H3' | 149.8° | 146.5° |
| O4' | C1' | C2' | C3' | 22.7° | 23.8° |
| O4' | C1' | C2' | O2' | 95.0° | 142.6° |
| O4' | C1' | C2' | N9 | 117.9° | 119.0° |
| O4' | C1' | C2' | H1' | 125.0° | 118.9° |
| O4' | C1' | C2' | H2' | 144.0° | 94.7° |
| O4' | C1' | N9 | H1' | 125.1° | 122.3° |
| O4' | C1' | N9 | C8 | 40.8° | 27.0° |
| O4' | C1' | N9 | C4 | 138.1° | 152.9° |
| O3' | C3' | C2' | H3' | 118.0° | 122.6° |
| O3' | C3' | C2' | O2' | 39.8° | 0.2° |
| O3' | C3' | C2' | C1' | 152.7° | 118.8° |
| O3' | C3' | C2' | H2' | 81.9° | 122.7° |
| C2' | C3' | O3' | HO3' | 65.4° | 65.3° |
| C3' | C2' | O2' | C1' | 112.7° | 114.7° |
| C3' | C2' | O2' | H2' | 121.9° | 122.6° |
| C3' | C2' | C1' | H2' | 121.2° | 118.5° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.4° |
| C3' | C2' | C1' | N9 | 95.2° | 142.8° |
| C3' | C2' | C1' | H1' | 147.8° | 95.1° |
| H3' | C3' | O3' | HO3' | 55.9° | 57.5° |
| H3' | C3' | C2' | O2' | 157.8° | 122.5° |
| H3' | C3' | C2' | C1' | 89.2° | 118.5° |
| H3' | C3' | C2' | H2' | 36.1° | 0.0° |
| O2' | C2' | C1' | H2' | 121.0° | 122.7° |
| O2' | C2' | C1' | N9 | 147.0° | 98.4° |
| O2' | C2' | C1' | H1' | 30.0° | 23.7° |
| C1' | C2' | O2' | HO2' | 67.2° | 176.1° |
| C2' | C1' | N9 | H1' | 119.3° | 122.1° |
| C2' | C1' | N9 | C8 | 74.9° | 88.6° |
| C2' | C1' | N9 | C4 | 106.3° | 91.5° |
| H2' | C2' | O2' | HO2' | 58.1° | 61.2° |
| H2' | C2' | C1' | N9 | 26.0° | 24.3° |
| H2' | C2' | C1' | H1' | 91.0° | 146.4° |
| C1' | N9 | C8 | C4 | 179.0° | 179.9° |
| C1' | N9 | C8 | N7 | 178.4° | 179.9° |
| C1' | N9 | C8 | H8 | 1.6° | 0.1° |
| C1' | N9 | C4 | C5 | 178.4° | 179.9° |
| C1' | N9 | C4 | N3 | 1.3° | 0.0° |
| H1' | C1' | N9 | C8 | 165.9° | 149.3° |
| H1' | C1' | N9 | C4 | 13.0° | 30.6° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.2° | 0.2° |
| C8 | N9 | C4 | C5 | 0.7° | 0.2° |
| C8 | N9 | C4 | N3 | 179.6° | 179.9° |
| C4 | N9 | C8 | N7 | 0.6° | 0.0° |
| C4 | N9 | C8 | H8 | 179.4° | 180.0° |
| N9 | C4 | C5 | N7 | 0.6° | 0.3° |
| N9 | C4 | C5 | C6 | 179.0° | 179.7° |
| N9 | C4 | C5 | N3 | 179.7° | 179.9° |
| N9 | C4 | N3 | C2 | 179.2° | 180.0° |
| C8 | N7 | C5 | C6 | 179.3° | 179.5° |
| C8 | N7 | C5 | C4 | 0.3° | 0.3° |
| H8 | C8 | N7 | C5 | 179.8° | 179.8° |
| N7 | C5 | C6 | C4 | 179.6° | 179.1° |
| N7 | C5 | C6 | N6 | 0.2° | 0.8° |
| N7 | C5 | C6 | N1 | 180.0° | 179.6° |
| N7 | C5 | C4 | N3 | 179.7° | 179.8° |
| C5 | C6 | N6 | N1 | 179.7° | 179.6° |
| C5 | C6 | N6 | HN61 | 180.0° | 179.7° |
| C5 | C6 | N6 | HN62 | 54.7° | 0.6° |
| C5 | C6 | N1 | C2 | 0.1° | 0.3° |
| C6 | C5 | C4 | N3 | 0.7° | 0.5° |
| C4 | C5 | C6 | N6 | 179.3° | 179.8° |
| C4 | C5 | C6 | N1 | 0.4° | 0.6° |
| C5 | C4 | N3 | C2 | 0.4° | 0.2° |
| C6 | N6 | HN61 | HN62 | 125.2° | 179.7° |
| N6 | C6 | N1 | C2 | 179.8° | 180.0° |
| N1 | C6 | N6 | HN61 | 0.3° | 0.1° |
| N1 | C6 | N6 | HN62 | 125.6° | 179.8° |
| C6 | N1 | C2 | N3 | 0.4° | 0.0° |
| C6 | N1 | C2 | H2 | 179.6° | 179.9° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.1° |
| H2 | C2 | N3 | C4 | 179.9° | 180.0° |
| O1D | PD | O2D | O3D | 127.2° | 120.0° |
| O1D | PD | O2D | HOD2 | 66.4° | 60.0° |
| O1D | PD | O3D | HOD3 | 66.5° | 180.0° |
| O2D | PD | O3D | HOD3 | 60.9° | 60.0° |
| O3D | PD | O2D | HOD2 | 60.8° | 60.0° |
