ATF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PG | O1G | doub | 1.48Å | 1.47Å | |
| PG | O2G | sing | 1.61Å | 1.51Å | |
| PG | O3G | sing | 1.61Å | 1.61Å | |
| PG | C3B | sing | 1.82Å | 1.76Å | |
| O2G | HOG2 | sing | 0.97Å | 0.95Å | |
| O3G | HOG3 | sing | 0.97Å | 0.95Å | |
| PB | O1B | doub | 1.48Å | 1.47Å | |
| PB | O2B | sing | 1.61Å | 1.51Å | |
| PB | C3B | sing | 1.82Å | 1.76Å | |
| PB | O3A | sing | 1.61Å | 1.65Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| C3B | F1B | sing | 1.40Å | 1.36Å | |
| C3B | F2B | sing | 1.40Å | 1.36Å | |
| PA | O1A | doub | 1.48Å | 1.44Å | |
| PA | O2A | sing | 1.61Å | 1.50Å | |
| PA | O3A | sing | 1.61Å | 1.65Å | |
| PA | O5' | sing | 1.61Å | 1.60Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.47Å | |
| C4' | C3' | sing | 1.54Å | 1.55Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C3' | O3' | sing | 1.43Å | 1.40Å | |
| 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 | 1.43Å | |
| C2' | C1' | sing | 1.54Å | 1.55Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.35Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.27Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.43Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | N1 | doub | 1.33Å | 1.33Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | PG | O2G | 114.9° | 109.4° |
| O1G | PG | O3G | 106.5° | 109.5° |
| O1G | PG | C3B | 102.1° | 109.4° |
| O2G | PG | O3G | 104.2° | 109.5° |
| O2G | PG | C3B | 126.6° | 109.5° |
| PG | O2G | HOG2 | 114.9° | 106.8° |
| O3G | PG | C3B | 100.2° | 109.5° |
| PG | O3G | HOG3 | 106.5° | 106.8° |
| PG | C3B | PB | 127.2° | 109.5° |
| PG | C3B | F1B | 104.5° | 109.5° |
| PG | C3B | F2B | 116.5° | 109.4° |
| O1B | PB | O2B | 112.9° | 109.5° |
| O1B | PB | C3B | 111.3° | 109.5° |
| O1B | PB | O3A | 108.7° | 109.5° |
| O2B | PB | C3B | 111.5° | 109.4° |
| O2B | PB | O3A | 103.2° | 109.4° |
| PB | O2B | HOB2 | 112.9° | 106.8° |
| C3B | PB | O3A | 108.8° | 109.5° |
| PB | C3B | F1B | 117.9° | 109.5° |
| PB | C3B | F2B | 100.4° | 109.5° |
| PB | O3A | PA | 135.6° | 106.9° |
| F1B | C3B | F2B | 81.4° | 109.4° |
| O1A | PA | O2A | 112.3° | 109.4° |
| O1A | PA | O3A | 121.8° | 109.4° |
| O1A | PA | O5' | 98.1° | 109.5° |
| O2A | PA | O3A | 109.5° | 109.5° |
| O2A | PA | O5' | 112.3° | 109.4° |
| PA | O2A | HOA2 | 112.4° | 106.8° |
| O3A | PA | O5' | 101.5° | 109.6° |
| PA | O5' | C5' | 125.1° | 106.8° |
| O5' | C5' | C4' | 110.5° | 109.5° |
| O5' | C5' | H5'1 | 111.8° | 109.5° |
| O5' | C5' | H5'2 | 111.8° | 109.4° |
| C4' | C5' | H5'1 | 111.9° | 109.5° |
| C4' | C5' | H5'2 | 111.9° | 109.5° |
| C5' | C4' | O4' | 118.0° | 110.4° |
| C5' | C4' | C3' | 114.7° | 110.5° |
| C5' | C4' | H4' | 97.3° | 110.3° |
| H5'1 | C5' | H5'2 | 98.5° | 109.5° |
| O4' | C4' | C3' | 102.8° | 104.8° |
| O4' | C4' | H4' | 110.5° | 110.4° |
| C4' | O4' | C1' | 106.7° | 105.2° |
| C3' | C4' | H4' | 114.1° | 110.4° |
| C4' | C3' | O3' | 107.4° | 110.5° |
| C4' | C3' | C2' | 104.8° | 104.0° |
| C4' | C3' | H3' | 114.3° | 110.5° |
| O4' | C1' | C2' | 111.3° | 104.9° |
| O4' | C1' | N9 | 122.4° | 110.4° |
| O4' | C1' | H1' | 110.1° | 110.4° |
| O3' | C3' | C2' | 111.0° | 110.5° |
| O3' | C3' | H3' | 108.4° | 110.4° |
| C3' | O3' | HO3' | 107.4° | 106.8° |
| C2' | C3' | H3' | 110.9° | 110.6° |
| C3' | C2' | O2' | 109.5° | 110.6° |
| C3' | C2' | C1' | 101.1° | 104.0° |
| C3' | C2' | H2' | 117.3° | 110.5° |
| O2' | C2' | C1' | 116.2° | 110.9° |
| O2' | C2' | H2' | 102.6° | 110.4° |
| C2' | O2' | HO2' | 109.5° | 106.9° |
| C1' | C2' | H2' | 110.7° | 110.4° |
| C2' | C1' | N9 | 123.9° | 110.4° |
| C2' | C1' | H1' | 105.5° | 110.4° |
| N9 | C1' | H1' | 71.7° | 110.2° |
| C1' | N9 | C8 | 122.2° | 126.2° |
| C1' | N9 | C4 | 130.8° | 126.4° |
| C8 | N9 | C4 | 106.8° | 107.4° |
| N9 | C8 | N7 | 115.1° | 110.0° |
| N9 | C8 | H8 | 126.1° | 125.0° |
| N9 | C4 | C5 | 104.4° | 106.0° |
| N9 | C4 | N3 | 129.8° | 134.9° |
| N7 | C8 | H8 | 118.9° | 125.1° |
| C8 | N7 | C5 | 104.5° | 109.5° |
| N7 | C5 | C6 | 133.0° | 134.7° |
| N7 | C5 | C4 | 109.2° | 107.1° |
| C6 | C5 | C4 | 117.8° | 118.2° |
| C5 | C6 | N6 | 122.1° | 120.8° |
| C5 | C6 | N1 | 115.8° | 118.5° |
| C5 | C4 | N3 | 125.8° | 119.1° |
| N6 | C6 | N1 | 121.9° | 120.7° |
| C6 | N6 | HN61 | 122.2° | 120.0° |
| C6 | N6 | HN62 | 107.7° | 120.0° |
| C6 | N1 | C2 | 120.2° | 121.1° |
| HN61 | N6 | HN62 | 107.7° | 120.0° |
| N1 | C2 | N3 | 131.6° | 122.5° |
| N1 | C2 | H2 | 114.9° | 118.7° |
| N3 | C2 | H2 | 113.5° | 118.8° |
| C2 | N3 | C4 | 108.8° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O2G | O3G | 116.1° | 120.0° |
| O1G | PG | O2G | C3B | 129.2° | 120.0° |
| O1G | PG | O3G | C3B | 105.9° | 120.0° |
| O1G | PG | O2G | HOG2 | 180.0° | 60.0° |
| O1G | PG | O3G | HOG3 | 180.0° | 180.0° |
| O1G | PG | C3B | PB | 175.4° | 60.0° |
| O1G | PG | C3B | F1B | 41.2° | 60.0° |
| O1G | PG | C3B | F2B | 46.4° | 179.9° |
| O2G | PG | O3G | C3B | 132.2° | 120.1° |
| O2G | PG | O3G | HOG3 | 58.1° | 60.0° |
| O2G | PG | C3B | PB | 50.5° | 180.0° |
| O2G | PG | C3B | F1B | 92.9° | 59.9° |
| O2G | PG | C3B | F2B | 179.6° | 60.0° |
| O3G | PG | O2G | HOG2 | 63.9° | 59.9° |
| O3G | PG | C3B | PB | 65.9° | 60.0° |
| O3G | PG | C3B | F1B | 150.6° | 180.0° |
| O3G | PG | C3B | F2B | 63.1° | 60.1° |
| C3B | PG | O2G | HOG2 | 50.8° | 180.0° |
| C3B | PG | O3G | HOG3 | 74.0° | 60.0° |
| PG | C3B | PB | O1B | 31.4° | 60.0° |
| PG | C3B | PB | O2B | 95.7° | 60.0° |
| PG | C3B | PB | F1B | 139.3° | 120.0° |
| PG | C3B | PB | F2B | 135.0° | 120.0° |
| PG | C3B | PB | O3A | 151.1° | 179.9° |
| PG | C3B | F1B | F2B | 115.3° | 119.9° |
| O1B | PB | O2B | C3B | 126.2° | 120.0° |
| O1B | PB | O2B | O3A | 117.1° | 120.0° |
| O1B | PB | C3B | O3A | 119.7° | 120.1° |
| O1B | PB | O2B | HOB2 | 180.0° | 180.0° |
| O1B | PB | C3B | F1B | 107.8° | 60.1° |
| O1B | PB | C3B | F2B | 166.4° | 180.0° |
| O1B | PB | O3A | PA | 25.6° | 59.9° |
| O2B | PB | C3B | O3A | 113.2° | 120.0° |
| O2B | PB | C3B | F1B | 125.1° | 180.0° |
| O2B | PB | C3B | F2B | 39.3° | 60.0° |
| O2B | PB | O3A | PA | 145.7° | 60.0° |
| C3B | PB | O2B | HOB2 | 53.8° | 60.0° |
| PB | C3B | F1B | F2B | 97.2° | 120.0° |
| C3B | PB | O3A | PA | 95.7° | 180.0° |
| O3A | PB | O2B | HOB2 | 62.9° | 60.0° |
| O3A | PB | C3B | F1B | 11.9° | 60.0° |
| O3A | PB | C3B | F2B | 73.9° | 59.9° |
| PB | O3A | PA | O1A | 40.1° | 60.0° |
| PB | O3A | PA | O2A | 174.0° | 59.9° |
| PB | O3A | PA | O5' | 67.1° | 180.0° |
| O1A | PA | O2A | O3A | 138.6° | 120.0° |
| O1A | PA | O2A | O5' | 109.5° | 120.0° |
| O1A | PA | O3A | O5' | 107.2° | 120.0° |
| O1A | PA | O2A | HOA2 | 179.9° | 180.0° |
| O1A | PA | O5' | C5' | 36.6° | 59.9° |
| O2A | PA | O3A | O5' | 118.9° | 120.0° |
| O2A | PA | O5' | C5' | 154.8° | 60.0° |
| O3A | PA | O2A | HOA2 | 41.4° | 60.1° |
| O3A | PA | O5' | C5' | 88.3° | 179.9° |
| O5' | PA | O2A | HOA2 | 70.6° | 60.0° |
| PA | O5' | C5' | C4' | 123.4° | 180.0° |
| PA | O5' | C5' | H5'1 | 1.9° | 60.0° |
| PA | O5' | C5' | H5'2 | 111.3° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 119.9° |
| O5' | C5' | H5'1 | H5'2 | 117.7° | 119.9° |
| O5' | C5' | C4' | O4' | 71.3° | 61.4° |
| O5' | C5' | C4' | C3' | 50.1° | 176.9° |
| O5' | C5' | C4' | H4' | 170.8° | 60.8° |
| C4' | C5' | H5'1 | H5'2 | 117.8° | 120.0° |
| C5' | C4' | O4' | C3' | 127.3° | 118.9° |
| C5' | C4' | O4' | H4' | 110.6° | 122.2° |
| C5' | C4' | C3' | H4' | 111.0° | 122.3° |
| C5' | C4' | O4' | C1' | 94.2° | 159.5° |
| C5' | C4' | C3' | O3' | 148.8° | 98.3° |
| C5' | C4' | C3' | C2' | 93.0° | 143.0° |
| C5' | C4' | C3' | H3' | 28.5° | 24.2° |
| H5'1 | C5' | C4' | O4' | 163.4° | 178.5° |
| H5'1 | C5' | C4' | C3' | 75.2° | 63.1° |
| H5'1 | C5' | C4' | H4' | 45.6° | 59.2° |
| H5'2 | C5' | C4' | O4' | 54.0° | 58.5° |
| H5'2 | C5' | C4' | C3' | 175.4° | 56.9° |
| H5'2 | C5' | C4' | H4' | 63.9° | 179.3° |
| O4' | C4' | C3' | H4' | 119.6° | 118.9° |
| O4' | C4' | C3' | O3' | 81.8° | 142.8° |
| O4' | C4' | C3' | C2' | 36.4° | 24.1° |
| O4' | C4' | C3' | H3' | 157.9° | 94.6° |
| C4' | O4' | C1' | C2' | 18.0° | 40.4° |
| C4' | O4' | C1' | N9 | 144.9° | 159.4° |
| C4' | O4' | C1' | H1' | 134.5° | 78.5° |
| C3' | C4' | O4' | C1' | 33.1° | 40.5° |
| C4' | C3' | O3' | C2' | 114.0° | 114.7° |
| C4' | C3' | O3' | H3' | 124.0° | 122.6° |
| C4' | C3' | C2' | H3' | 123.7° | 118.7° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | O2' | 148.2° | 118.9° |
| C4' | C3' | C2' | C1' | 25.0° | 0.2° |
| C4' | C3' | C2' | H2' | 95.5° | 118.7° |
| H4' | C4' | O4' | C1' | 155.2° | 78.3° |
| H4' | C4' | C3' | O3' | 37.9° | 23.9° |
| H4' | C4' | C3' | C2' | 156.0° | 94.7° |
| H4' | C4' | C3' | H3' | 82.5° | 146.5° |
| O4' | C1' | C2' | C3' | 5.3° | 23.8° |
| O4' | C1' | C2' | O2' | 123.7° | 142.7° |
| O4' | C1' | C2' | N9 | 162.5° | 118.9° |
| O4' | C1' | C2' | H1' | 119.3° | 118.9° |
| O4' | C1' | C2' | H2' | 119.8° | 94.7° |
| O4' | C1' | N9 | H1' | 102.6° | 122.2° |
| O4' | C1' | N9 | C8 | 112.8° | 27.1° |
| O4' | C1' | N9 | C4 | 61.7° | 153.0° |
| O3' | C3' | C2' | H3' | 120.6° | 122.7° |
| O3' | C3' | C2' | O2' | 32.5° | 0.2° |
| O3' | C3' | C2' | C1' | 90.7° | 118.9° |
| O3' | C3' | C2' | H2' | 148.8° | 122.7° |
| C2' | C3' | O3' | HO3' | 66.0° | 65.3° |
| C3' | C2' | O2' | C1' | 113.8° | 114.8° |
| C3' | C2' | O2' | H2' | 125.3° | 122.5° |
| C3' | C2' | C1' | H2' | 125.1° | 118.5° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.3° |
| C3' | C2' | C1' | N9 | 167.8° | 142.8° |
| C3' | C2' | C1' | H1' | 114.1° | 95.1° |
| H3' | C3' | O3' | HO3' | 56.0° | 57.4° |
| H3' | C3' | C2' | O2' | 88.1° | 122.5° |
| H3' | C3' | C2' | C1' | 148.7° | 118.5° |
| H3' | C3' | C2' | H2' | 28.2° | 0.0° |
| O2' | C2' | C1' | H2' | 116.5° | 122.6° |
| O2' | C2' | C1' | N9 | 73.8° | 98.4° |
| O2' | C2' | C1' | H1' | 4.4° | 23.8° |
| C1' | C2' | O2' | HO2' | 66.2° | 176.1° |
| C2' | C1' | N9 | H1' | 96.7° | 122.2° |
| C2' | C1' | N9 | C8 | 47.9° | 88.5° |
| C2' | C1' | N9 | C4 | 137.6° | 91.4° |
| H2' | C2' | O2' | HO2' | 54.7° | 61.2° |
| H2' | C2' | C1' | N9 | 42.7° | 24.2° |
| H2' | C2' | C1' | H1' | 120.8° | 146.4° |
| C1' | N9 | C8 | C4 | 175.7° | 179.9° |
| C1' | N9 | C8 | N7 | 174.4° | 179.9° |
| C1' | N9 | C8 | H8 | 5.6° | 0.0° |
| C1' | N9 | C4 | C5 | 172.6° | 179.8° |
| C1' | N9 | C4 | N3 | 5.9° | 0.2° |
| H1' | C1' | N9 | C8 | 144.6° | 149.3° |
| H1' | C1' | N9 | C4 | 40.9° | 30.8° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.8° | 0.2° |
| C8 | N9 | C4 | C5 | 2.6° | 0.2° |
| C8 | N9 | C4 | N3 | 178.9° | 179.9° |
| C4 | N9 | C8 | N7 | 1.2° | 0.0° |
| C4 | N9 | C8 | H8 | 178.8° | 180.0° |
| N9 | C4 | C5 | N7 | 3.2° | 0.3° |
| N9 | C4 | C5 | C6 | 176.4° | 179.6° |
| N9 | C4 | C5 | N3 | 178.6° | 179.9° |
| N9 | C4 | N3 | C2 | 177.7° | 179.9° |
| C8 | N7 | C5 | C6 | 177.1° | 179.5° |
| C8 | N7 | C5 | C4 | 2.4° | 0.3° |
| H8 | C8 | N7 | C5 | 179.2° | 179.8° |
| N7 | C5 | C6 | C4 | 179.5° | 179.2° |
| N7 | C5 | C6 | N6 | 6.4° | 0.6° |
| N7 | C5 | C6 | N1 | 178.0° | 179.6° |
| N7 | C5 | C4 | N3 | 178.3° | 179.8° |
| C5 | C6 | N6 | N1 | 175.4° | 179.8° |
| C5 | C6 | N6 | HN61 | 180.0° | 179.8° |
| C5 | C6 | N6 | HN62 | 54.7° | 0.5° |
| C5 | C6 | N1 | C2 | 1.5° | 0.2° |
| C6 | C5 | C4 | N3 | 2.1° | 0.4° |
| C4 | C5 | C6 | N6 | 173.1° | 179.8° |
| C4 | C5 | C6 | N1 | 2.5° | 0.4° |
| C5 | C4 | N3 | C2 | 0.5° | 0.2° |
| C6 | N6 | HN61 | HN62 | 125.3° | 179.8° |
| N6 | C6 | N1 | C2 | 174.1° | 180.0° |
| N1 | C6 | N6 | HN61 | 4.6° | 0.0° |
| N1 | C6 | N6 | HN62 | 129.9° | 179.7° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| C6 | N1 | C2 | H2 | 179.7° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.8° | 0.0° |
| H2 | C2 | N3 | C4 | 179.2° | 179.9° |
