HFD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2B | PB | doub | 1.48Å | 1.46Å | |
| O1B | PB | sing | 1.61Å | 1.48Å | |
| PB | O3A | sing | 1.61Å | 1.64Å | |
| PB | O3B | sing | 1.61Å | 1.69Å | |
| O3A | PA | sing | 1.61Å | 1.69Å | |
| O3B | PG | sing | 1.61Å | 1.68Å | |
| O2A | PA | doub | 1.48Å | 1.50Å | |
| PA | O5' | sing | 1.61Å | 1.71Å | |
| PA | O1A | sing | 1.61Å | 1.48Å | |
| O1G | PG | doub | 1.48Å | 1.46Å | |
| C3' | O3' | sing | 1.43Å | 1.47Å | |
| C3' | C4' | sing | 1.54Å | 1.49Å | |
| C3' | C2' | sing | 1.55Å | 1.46Å | |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| C5' | C4' | sing | 1.53Å | 1.47Å | |
| PG | O2G | sing | 1.61Å | 1.46Å | |
| PG | O3G | sing | 1.61Å | 1.47Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C2' | C1' | sing | 1.55Å | 1.44Å | |
| O4' | C1' | sing | 1.44Å | 1.49Å | |
| C1' | N9 | sing | 1.47Å | 1.42Å | |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.34Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.44Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.52Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.44Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.38Å | Aromatic |
| C6 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.47Å | |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | F2 | sing | 1.35Å | 1.36Å | |
| O1A | H1 | sing | 0.97Å | 0.95Å | |
| O1B | H2 | sing | 0.97Å | 0.95Å | |
| O3G | H3 | sing | 0.97Å | 0.95Å | |
| O2G | H4 | sing | 0.97Å | 0.95Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C4' | H7 | sing | 1.09Å | 1.10Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| O3' | H9 | sing | 0.97Å | 0.95Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| O2' | H11 | sing | 0.97Å | 0.95Å | |
| C1' | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| N6 | H14 | sing | 0.97Å | 1.00Å | |
| N6 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2B | PB | O1B | 107.2° | 109.4° |
| O2B | PB | O3A | 100.0° | 109.5° |
| O2B | PB | O3B | 130.7° | 109.4° |
| O1B | PB | O3A | 119.2° | 109.5° |
| O1B | PB | O3B | 105.1° | 109.5° |
| PB | O1B | H2 | 109.5° | 114.0° |
| O3A | PB | O3B | 95.5° | 109.5° |
| PB | O3A | PA | 134.3° | 134.0° |
| PB | O3B | PG | 121.2° | 134.0° |
| O3A | PA | O2A | 109.8° | 109.5° |
| O3A | PA | O5' | 98.1° | 109.5° |
| O3A | PA | O1A | 116.3° | 109.5° |
| O3B | PG | O1G | 107.5° | 109.5° |
| O3B | PG | O2G | 117.7° | 109.5° |
| O3B | PG | O3G | 117.4° | 109.5° |
| O2A | PA | O5' | 112.0° | 109.5° |
| O2A | PA | O1A | 106.4° | 109.4° |
| O5' | PA | O1A | 114.3° | 109.4° |
| PA | O5' | C5' | 123.8° | 123.0° |
| PA | O1A | H1 | 109.5° | 114.0° |
| O1G | PG | O2G | 99.2° | 109.5° |
| O1G | PG | O3G | 108.8° | 109.5° |
| O3' | C3' | C4' | 114.7° | 110.5° |
| O3' | C3' | C2' | 110.0° | 110.5° |
| O3' | C3' | H8 | 109.7° | 110.4° |
| C3' | O3' | H9 | 109.5° | 114.0° |
| C4' | C3' | C2' | 102.8° | 104.2° |
| C3' | C4' | C5' | 116.9° | 109.9° |
| C3' | C4' | O4' | 107.5° | 107.3° |
| C3' | C4' | H7 | 109.9° | 110.0° |
| C4' | C3' | H8 | 109.4° | 110.5° |
| C3' | C2' | O2' | 108.0° | 110.9° |
| C3' | C2' | C1' | 110.5° | 102.1° |
| C2' | C3' | H8 | 109.9° | 110.6° |
| C3' | C2' | H10 | 110.4° | 110.9° |
| O2' | C2' | C1' | 106.4° | 110.9° |
| O2' | C2' | H10 | 110.9° | 110.8° |
| C2' | O2' | H11 | 109.5° | 114.0° |
| O5' | C5' | C4' | 113.4° | 109.5° |
| O5' | C5' | H5 | 108.5° | 109.5° |
| O5' | C5' | H6 | 108.4° | 109.5° |
| C5' | C4' | O4' | 101.3° | 109.9° |
| C4' | C5' | H5 | 108.5° | 109.4° |
| C4' | C5' | H6 | 108.5° | 109.5° |
| C5' | C4' | H7 | 110.2° | 109.9° |
| O2G | PG | O3G | 104.6° | 109.4° |
| PG | O2G | H4 | 109.5° | 114.0° |
| PG | O3G | H3 | 109.5° | 114.0° |
| C4' | O4' | C1' | 108.7° | 107.0° |
| O4' | C4' | H7 | 110.5° | 109.8° |
| C2' | C1' | O4' | 103.2° | 103.5° |
| C2' | C1' | N9 | 117.9° | 110.6° |
| C1' | C2' | H10 | 110.6° | 110.9° |
| C2' | C1' | H12 | 108.9° | 110.6° |
| O4' | C1' | N9 | 108.9° | 110.6° |
| O4' | C1' | H12 | 108.2° | 110.8° |
| C1' | N9 | C8 | 125.0° | 126.2° |
| C1' | N9 | C4 | 122.7° | 126.3° |
| N9 | C1' | H12 | 109.2° | 110.5° |
| N9 | C8 | N7 | 111.7° | 109.9° |
| C8 | N9 | C4 | 112.1° | 107.5° |
| N9 | C8 | H13 | 124.1° | 125.0° |
| C8 | N7 | C5 | 107.2° | 109.5° |
| N7 | C8 | H13 | 124.1° | 125.0° |
| N9 | C4 | C5 | 103.6° | 106.0° |
| N9 | C4 | N3 | 137.3° | 134.9° |
| N7 | C5 | C4 | 105.5° | 107.1° |
| N7 | C5 | C6 | 134.6° | 134.6° |
| C5 | C4 | N3 | 119.0° | 119.1° |
| C4 | C5 | C6 | 119.8° | 118.3° |
| C4 | N3 | C2 | 117.2° | 120.6° |
| C5 | C6 | N1 | 115.1° | 118.5° |
| C5 | C6 | N6 | 126.8° | 120.7° |
| N3 | C2 | N1 | 125.6° | 122.4° |
| N3 | C2 | F2 | 125.9° | 118.8° |
| N1 | C6 | N6 | 117.9° | 120.8° |
| C6 | N1 | C2 | 123.2° | 121.1° |
| C6 | N6 | H14 | 109.5° | 120.1° |
| C6 | N6 | H15 | 109.5° | 120.0° |
| N1 | C2 | F2 | 108.5° | 118.8° |
| H5 | C5' | H6 | 109.5° | 109.5° |
| H14 | N6 | H15 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2B | PB | O1B | O3A | 112.4° | 120.0° |
| O2B | PB | O1B | O3B | 142.2° | 120.0° |
| O2B | PB | O3A | O3B | 133.0° | 120.0° |
| O2B | PB | O3A | PA | 84.0° | 45.0° |
| O2B | PB | O3B | PG | 169.3° | 40.0° |
| O2B | PB | O1B | H2 | 0.0° | 180.0° |
| O1B | PB | O3A | O3B | 110.7° | 120.0° |
| O1B | PB | O3A | PA | 159.7° | 75.0° |
| O1B | PB | O3B | PG | 61.2° | 80.0° |
| O3A | PB | O3B | PG | 61.0° | 160.0° |
| PB | O3A | PA | O2A | 76.9° | 45.0° |
| PB | O3A | PA | O5' | 166.1° | 165.0° |
| PB | O3A | PA | O1A | 43.9° | 75.0° |
| O3A | PB | O1B | H2 | 112.4° | 60.0° |
| O3B | PB | O3A | PA | 49.0° | 165.0° |
| PB | O3B | PG | O1G | 70.1° | 45.0° |
| PB | O3B | PG | O2G | 40.7° | 75.0° |
| PB | O3B | PG | O3G | 167.0° | 165.0° |
| O3B | PB | O1B | H2 | 142.2° | 60.1° |
| O3A | PA | O2A | O5' | 107.8° | 120.0° |
| O3A | PA | O2A | O1A | 126.6° | 120.0° |
| O3A | PA | O5' | O1A | 123.7° | 120.0° |
| O3A | PA | O5' | C5' | 20.8° | 174.9° |
| O3A | PA | O1A | H1 | 122.7° | 60.0° |
| O3B | PG | O1G | O2G | 123.0° | 120.0° |
| O3B | PG | O1G | O3G | 128.1° | 120.0° |
| O3B | PG | O2G | O3G | 132.4° | 120.0° |
| O3B | PG | O3G | H3 | 122.2° | 180.0° |
| O3B | PG | O2G | H4 | 115.4° | 59.9° |
| O2A | PA | O5' | O1A | 121.1° | 120.0° |
| O2A | PA | O5' | C5' | 136.0° | 54.9° |
| O2A | PA | O1A | H1 | 0.0° | 180.0° |
| PA | O5' | C5' | C4' | 175.9° | 180.0° |
| O5' | PA | O1A | H1 | 124.1° | 60.0° |
| PA | O5' | C5' | H5 | 63.5° | 60.1° |
| PA | O5' | C5' | H6 | 55.3° | 60.0° |
| O1A | PA | O5' | C5' | 102.9° | 65.0° |
| O1G | PG | O2G | O3G | 112.3° | 120.0° |
| O1G | PG | O3G | H3 | 0.0° | 59.9° |
| O1G | PG | O2G | H4 | 0.0° | 180.0° |
| O3' | C3' | C4' | C2' | 119.4° | 118.7° |
| O3' | C3' | C4' | H8 | 123.8° | 122.5° |
| O3' | C3' | C2' | H8 | 120.9° | 122.6° |
| O3' | C3' | C2' | O2' | 149.2° | 144.0° |
| O3' | C3' | C4' | C5' | 147.1° | 119.8° |
| O3' | C3' | C4' | O4' | 99.9° | 120.7° |
| O3' | C3' | C2' | C1' | 94.8° | 97.8° |
| O3' | C3' | C4' | H7 | 20.5° | 1.3° |
| O3' | C3' | C2' | H10 | 27.8° | 20.4° |
| C4' | C3' | C2' | H8 | 116.4° | 118.7° |
| C4' | C3' | C2' | O2' | 88.1° | 97.3° |
| C3' | C4' | C5' | O5' | 75.5° | 175.8° |
| C3' | C4' | C5' | O4' | 116.5° | 117.8° |
| C3' | C4' | C5' | H7 | 126.4° | 121.2° |
| C3' | C4' | O4' | H7 | 120.0° | 119.6° |
| C4' | C3' | C2' | C1' | 27.9° | 20.9° |
| C3' | C4' | O4' | C1' | 5.4° | 26.5° |
| C3' | C4' | C5' | H5 | 45.1° | 64.3° |
| C3' | C4' | C5' | H6 | 164.0° | 55.7° |
| C4' | C3' | O3' | H9 | 180.0° | 180.0° |
| C4' | C3' | C2' | H10 | 150.5° | 139.1° |
| C3' | C2' | O2' | C1' | 118.6° | 112.7° |
| C3' | C2' | O2' | H10 | 121.1° | 123.6° |
| C2' | C3' | C4' | C5' | 93.5° | 121.5° |
| C2' | C3' | C4' | O4' | 19.6° | 2.0° |
| C3' | C2' | C1' | H10 | 122.5° | 118.2° |
| C3' | C2' | C1' | O4' | 24.6° | 37.0° |
| C3' | C2' | C1' | N9 | 144.7° | 155.5° |
| C2' | C3' | C4' | H7 | 139.9° | 117.4° |
| C2' | C3' | O3' | H9 | 64.7° | 65.2° |
| C3' | C2' | O2' | H11 | 180.0° | 61.5° |
| C3' | C2' | C1' | H12 | 90.3° | 81.7° |
| O2' | C2' | C1' | H10 | 120.5° | 123.6° |
| O2' | C2' | C1' | O4' | 92.4° | 81.2° |
| O2' | C2' | C1' | N9 | 27.7° | 37.4° |
| O2' | C2' | C3' | H8 | 28.3° | 21.4° |
| O2' | C2' | C1' | H12 | 152.8° | 160.1° |
| O5' | C5' | C4' | H5 | 120.6° | 119.9° |
| O5' | C5' | C4' | H6 | 120.5° | 120.1° |
| O5' | C5' | C4' | O4' | 41.0° | 66.4° |
| O5' | C5' | H5 | H6 | 118.2° | 120.1° |
| O5' | C5' | C4' | H7 | 158.1° | 54.6° |
| C5' | C4' | O4' | H7 | 116.8° | 121.0° |
| C5' | C4' | O4' | C1' | 117.8° | 146.0° |
| C4' | C5' | H5 | H6 | 118.2° | 120.0° |
| C5' | C4' | C3' | H8 | 23.3° | 2.6° |
| O2G | PG | O3G | H3 | 105.2° | 60.0° |
| O3G | PG | O2G | H4 | 112.3° | 60.1° |
| C4' | O4' | C1' | C2' | 11.1° | 40.0° |
| C4' | O4' | C1' | N9 | 137.2° | 158.6° |
| O4' | C4' | C5' | H5 | 161.6° | 53.5° |
| O4' | C4' | C5' | H6 | 79.5° | 173.5° |
| O4' | C4' | C3' | H8 | 136.3° | 116.8° |
| C4' | O4' | C1' | H12 | 104.2° | 78.5° |
| C2' | C1' | O4' | N9 | 126.1° | 118.5° |
| C2' | C1' | O4' | H12 | 115.3° | 118.6° |
| C2' | C1' | N9 | H12 | 124.9° | 122.8° |
| C2' | C1' | N9 | C8 | 85.3° | 95.4° |
| C2' | C1' | N9 | C4 | 99.5° | 85.0° |
| C1' | C2' | C3' | H8 | 144.3° | 139.6° |
| C1' | C2' | O2' | H11 | 61.4° | 174.1° |
| O4' | C1' | N9 | H12 | 118.0° | 123.1° |
| O4' | C1' | N9 | C8 | 31.8° | 18.7° |
| O4' | C1' | N9 | C4 | 143.4° | 160.9° |
| C1' | O4' | C4' | H7 | 125.4° | 93.1° |
| O4' | C1' | C2' | H10 | 147.1° | 155.2° |
| C1' | N9 | C8 | C4 | 175.7° | 179.7° |
| C1' | N9 | C8 | N7 | 176.6° | 179.9° |
| C1' | N9 | C4 | C5 | 176.2° | 179.9° |
| C1' | N9 | C4 | N3 | 8.0° | 0.1° |
| N9 | C1' | C2' | H10 | 92.8° | 86.3° |
| C1' | N9 | C8 | H13 | 3.4° | 0.0° |
| N9 | C8 | N7 | H13 | 180.0° | 179.8° |
| N9 | C8 | N7 | C5 | 1.1° | 0.4° |
| C8 | N9 | C4 | C5 | 0.4° | 0.3° |
| C8 | N9 | C4 | N3 | 176.3° | 179.8° |
| C8 | N9 | C1' | H12 | 149.8° | 141.8° |
| N7 | C8 | N9 | C4 | 1.0° | 0.4° |
| C8 | N7 | C5 | C4 | 0.8° | 0.3° |
| C8 | N7 | C5 | C6 | 177.0° | 179.8° |
| N9 | C4 | C5 | N7 | 0.3° | 0.0° |
| N9 | C4 | C5 | N3 | 176.8° | 180.0° |
| N9 | C4 | C5 | C6 | 177.2° | 180.0° |
| N9 | C4 | N3 | C2 | 176.1° | 180.0° |
| C4 | N9 | C1' | H12 | 25.4° | 37.8° |
| C4 | N9 | C8 | H13 | 179.0° | 179.7° |
| N7 | C5 | C4 | C6 | 176.9° | 180.0° |
| N7 | C5 | C4 | N3 | 176.5° | 180.0° |
| N7 | C5 | C6 | N1 | 176.3° | 180.0° |
| N7 | C5 | C6 | N6 | 6.8° | 0.1° |
| C5 | N7 | C8 | H13 | 178.9° | 179.7° |
| C5 | C4 | N3 | C2 | 0.7° | 0.0° |
| C4 | C5 | C6 | N1 | 0.5° | 0.0° |
| C4 | C5 | C6 | N6 | 177.4° | 180.0° |
| N3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C4 | N3 | C2 | N1 | 0.3° | 0.0° |
| C4 | N3 | C2 | F2 | 179.5° | 180.0° |
| C5 | C6 | N1 | N6 | 177.2° | 180.0° |
| C5 | C6 | N1 | C2 | 1.0° | 0.0° |
| C5 | C6 | N6 | H14 | 176.8° | 0.0° |
| C5 | C6 | N6 | H15 | 56.8° | 180.0° |
| N3 | C2 | N1 | C6 | 0.6° | 0.0° |
| N3 | C2 | N1 | F2 | 179.3° | 180.0° |
| C6 | N1 | C2 | F2 | 178.7° | 180.0° |
| N1 | C6 | N6 | H14 | 0.0° | 180.0° |
| N1 | C6 | N6 | H15 | 120.0° | 0.0° |
| N6 | C6 | N1 | C2 | 178.2° | 180.0° |
| C6 | N6 | H14 | H15 | 120.0° | 180.0° |
| H5 | C5' | C4' | H7 | 81.3° | 174.5° |
| H6 | C5' | C4' | H7 | 37.6° | 65.5° |
| H7 | C4' | C3' | H8 | 103.3° | 123.7° |
| H8 | C3' | O3' | H9 | 56.4° | 57.5° |
| H8 | C3' | C2' | H10 | 93.1° | 102.2° |
| H10 | C2' | O2' | H11 | 58.9° | 62.2° |
| H10 | C2' | C1' | H12 | 32.2° | 36.5° |
