8BU
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 | 1.51Å | |
| PG | O3B | sing | 1.61Å | 1.61Å | |
| PB | O1B | doub | 1.48Å | 1.51Å | |
| PB | O2B | sing | 1.61Å | 1.51Å | |
| PB | O3B | sing | 1.61Å | 1.60Å | |
| PB | C01 | sing | 1.82Å | 1.62Å | |
| PA | O1A | doub | 1.48Å | 1.52Å | |
| PA | O2A | sing | 1.61Å | 1.51Å | |
| PA | C01 | sing | 1.82Å | 1.61Å | |
| PA | O5' | sing | 1.61Å | 1.61Å | |
| N9 | C8 | sing | 1.36Å | 1.34Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.35Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.49Å | |
| C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.48Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.48Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | N1 | sing | 1.33Å | 1.33Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C01 | F01 | sing | 1.40Å | 0.98Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C4' | C3' | sing | 1.54Å | 1.56Å | |
| C4' | O4' | sing | 1.44Å | 1.48Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C2' | sing | 1.55Å | 1.54Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.55Å | 1.56Å | |
| C1' | O4' | sing | 1.44Å | 1.44Å | |
| O2G | H1 | sing | 0.97Å | 0.95Å | |
| O3G | H2 | sing | 0.97Å | 0.95Å | |
| O2B | H4 | sing | 0.97Å | 0.95Å | |
| O2A | H6 | sing | 0.97Å | 0.95Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| N6 | H8 | sing | 0.97Å | 1.00Å | |
| N6 | H9 | sing | 0.97Å | 1.00Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å | |
| C5' | H13 | sing | 1.09Å | 1.10Å | |
| C4' | H14 | sing | 1.09Å | 1.10Å | |
| C3' | H15 | sing | 1.09Å | 1.10Å | |
| O3' | H16 | sing | 0.97Å | 0.95Å | |
| C2' | H17 | sing | 1.09Å | 1.10Å | |
| O2' | H18 | sing | 0.97Å | 0.95Å | |
| C1' | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | PG | O2G | 113.9° | 109.5° |
| O1G | PG | O3G | 113.3° | 109.5° |
| O1G | PG | O3B | 105.6° | 109.4° |
| O2G | PG | O3G | 113.4° | 109.5° |
| O2G | PG | O3B | 105.6° | 109.5° |
| PG | O2G | H1 | 109.5° | 114.0° |
| O3G | PG | O3B | 103.9° | 109.5° |
| PG | O3G | H2 | 109.5° | 114.0° |
| PG | O3B | PB | 122.1° | 134.0° |
| O1B | PB | O2B | 116.5° | 109.4° |
| O1B | PB | O3B | 109.0° | 109.5° |
| O1B | PB | C01 | 108.6° | 109.5° |
| O2B | PB | O3B | 108.9° | 109.5° |
| O2B | PB | C01 | 109.2° | 109.4° |
| PB | O2B | H4 | 109.5° | 114.0° |
| O3B | PB | C01 | 103.8° | 109.5° |
| PB | C01 | PA | 117.3° | 109.5° |
| PB | C01 | F01 | 107.8° | 109.5° |
| PB | C01 | H11 | 104.7° | 109.5° |
| O1A | PA | O2A | 118.8° | 109.5° |
| O1A | PA | C01 | 106.3° | 109.5° |
| O1A | PA | O5' | 110.2° | 109.5° |
| O2A | PA | C01 | 105.8° | 109.4° |
| O2A | PA | O5' | 108.7° | 109.5° |
| PA | O2A | H6 | 109.5° | 114.0° |
| C01 | PA | O5' | 106.2° | 109.5° |
| PA | C01 | F01 | 107.8° | 109.5° |
| PA | C01 | H11 | 104.8° | 109.4° |
| PA | O5' | C5' | 116.1° | 123.0° |
| C8 | N9 | C4 | 108.2° | 107.5° |
| C8 | N9 | C1' | 126.7° | 126.3° |
| N9 | C8 | N7 | 110.2° | 109.9° |
| N9 | C8 | H7 | 124.9° | 125.0° |
| C4 | N9 | C1' | 125.1° | 126.3° |
| N9 | C4 | C5 | 106.9° | 106.0° |
| N9 | C4 | N3 | 137.4° | 134.9° |
| N9 | C1' | C2' | 108.1° | 110.4° |
| N9 | C1' | O4' | 113.5° | 110.4° |
| N9 | C1' | H19 | 108.9° | 110.3° |
| C8 | N7 | C5 | 110.3° | 109.5° |
| N7 | C8 | H7 | 124.9° | 125.1° |
| N7 | C5 | C6 | 134.7° | 134.7° |
| N7 | C5 | C4 | 104.5° | 107.1° |
| C6 | C5 | C4 | 120.8° | 118.2° |
| C5 | C6 | N6 | 121.5° | 120.8° |
| C5 | C6 | N1 | 115.7° | 118.5° |
| C5 | C4 | N3 | 115.7° | 119.1° |
| N6 | C6 | N1 | 122.8° | 120.8° |
| C6 | N6 | H8 | 109.5° | 120.0° |
| C6 | N6 | H9 | 109.5° | 120.0° |
| C6 | N1 | C2 | 120.4° | 121.2° |
| N1 | C2 | N3 | 127.3° | 122.5° |
| N1 | C2 | H10 | 116.3° | 118.7° |
| C2 | N3 | C4 | 120.0° | 120.6° |
| N3 | C2 | H10 | 116.3° | 118.8° |
| F01 | C01 | H11 | 114.7° | 109.5° |
| O5' | C5' | C4' | 111.6° | 109.5° |
| O5' | C5' | H12 | 108.9° | 109.5° |
| O5' | C5' | H13 | 108.9° | 109.5° |
| C5' | C4' | C3' | 112.8° | 110.4° |
| C5' | C4' | O4' | 115.3° | 110.4° |
| C4' | C5' | H12 | 108.9° | 109.5° |
| C4' | C5' | H13 | 109.0° | 109.5° |
| C5' | C4' | H14 | 106.5° | 110.3° |
| C3' | C4' | O4' | 108.4° | 104.8° |
| C4' | C3' | O3' | 111.7° | 110.5° |
| C4' | C3' | C2' | 104.4° | 104.1° |
| C3' | C4' | H14 | 106.1° | 110.4° |
| C4' | C3' | H15 | 109.1° | 110.6° |
| C4' | O4' | C1' | 106.0° | 105.3° |
| O4' | C4' | H14 | 107.1° | 110.4° |
| O3' | C3' | C2' | 111.3° | 110.5° |
| O3' | C3' | H15 | 110.8° | 110.4° |
| C3' | O3' | H16 | 109.5° | 114.0° |
| C3' | C2' | O2' | 112.8° | 110.5° |
| C3' | C2' | C1' | 105.3° | 104.0° |
| C2' | C3' | H15 | 109.4° | 110.6° |
| C3' | C2' | H17 | 108.8° | 110.5° |
| O2' | C2' | C1' | 111.0° | 110.5° |
| O2' | C2' | H17 | 110.3° | 110.5° |
| C2' | O2' | H18 | 109.5° | 114.0° |
| C2' | C1' | O4' | 108.4° | 104.8° |
| C1' | C2' | H17 | 108.5° | 110.6° |
| C2' | C1' | H19 | 108.1° | 110.4° |
| O4' | C1' | H19 | 109.6° | 110.5° |
| H8 | N6 | H9 | 109.5° | 120.0° |
| H12 | C5' | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O2G | O3G | 131.6° | 120.0° |
| O1G | PG | O2G | O3B | 115.4° | 120.0° |
| O1G | PG | O3G | O3B | 114.1° | 120.0° |
| O1G | PG | O3B | PB | 177.5° | 40.0° |
| O1G | PG | O2G | H1 | 0.0° | 60.0° |
| O1G | PG | O3G | H2 | 0.0° | 180.0° |
| O2G | PG | O3G | O3B | 114.1° | 120.0° |
| O2G | PG | O3B | PB | 61.5° | 160.0° |
| O2G | PG | O3G | H2 | 131.8° | 60.0° |
| O3G | PG | O3B | PB | 58.0° | 80.0° |
| O3G | PG | O2G | H1 | 131.5° | 60.0° |
| PG | O3B | PB | O1B | 17.2° | 60.0° |
| PG | O3B | PB | O2B | 111.0° | 60.0° |
| PG | O3B | PB | C01 | 132.8° | 180.0° |
| O3B | PG | O2G | H1 | 115.4° | 180.0° |
| O3B | PG | O3G | H2 | 114.1° | 60.0° |
| O1B | PB | O2B | O3B | 123.8° | 120.1° |
| O1B | PB | O2B | C01 | 123.5° | 120.0° |
| O1B | PB | O3B | C01 | 115.6° | 120.0° |
| O1B | PB | C01 | PA | 102.7° | 59.9° |
| O1B | PB | C01 | F01 | 135.5° | 180.0° |
| O1B | PB | O2B | H4 | 0.0° | 180.0° |
| O1B | PB | C01 | H11 | 12.9° | 60.0° |
| O2B | PB | O3B | C01 | 116.3° | 120.0° |
| O2B | PB | C01 | PA | 25.4° | 60.0° |
| O2B | PB | C01 | F01 | 96.4° | 60.0° |
| O2B | PB | C01 | H11 | 141.0° | 180.0° |
| O3B | PB | C01 | PA | 141.5° | 180.0° |
| O3B | PB | C01 | F01 | 19.7° | 60.0° |
| O3B | PB | O2B | H4 | 123.7° | 59.9° |
| O3B | PB | C01 | H11 | 102.9° | 60.0° |
| PB | C01 | PA | O1A | 155.6° | 59.9° |
| PB | C01 | PA | O2A | 28.4° | 60.0° |
| PB | C01 | PA | F01 | 121.8° | 120.0° |
| PB | C01 | PA | H11 | 115.6° | 120.0° |
| PB | C01 | PA | O5' | 87.0° | 180.0° |
| PB | C01 | F01 | H11 | 116.2° | 120.0° |
| C01 | PB | O2B | H4 | 123.6° | 60.1° |
| O1A | PA | O2A | C01 | 119.3° | 120.0° |
| O1A | PA | O2A | O5' | 127.0° | 120.0° |
| O1A | PA | C01 | O5' | 117.4° | 120.1° |
| O1A | PA | C01 | F01 | 82.5° | 180.0° |
| O1A | PA | O5' | C5' | 20.5° | 54.9° |
| O1A | PA | O2A | H6 | 0.0° | 180.0° |
| O1A | PA | C01 | H11 | 40.1° | 60.1° |
| O2A | PA | C01 | O5' | 115.4° | 120.0° |
| O2A | PA | C01 | F01 | 150.3° | 60.0° |
| O2A | PA | O5' | C5' | 111.3° | 65.0° |
| O2A | PA | C01 | H11 | 87.1° | 180.0° |
| PA | C01 | F01 | H11 | 116.3° | 119.9° |
| C01 | PA | O5' | C5' | 135.3° | 175.0° |
| C01 | PA | O2A | H6 | 119.3° | 60.0° |
| O5' | PA | C01 | F01 | 34.9° | 60.0° |
| PA | O5' | C5' | C4' | 88.8° | 180.0° |
| O5' | PA | O2A | H6 | 127.0° | 60.0° |
| O5' | PA | C01 | H11 | 157.5° | 60.0° |
| PA | O5' | C5' | H12 | 31.6° | 60.1° |
| PA | O5' | C5' | H13 | 150.9° | 60.0° |
| C8 | N9 | C4 | C1' | 180.0° | 179.7° |
| N9 | C8 | N7 | H7 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.0° | 0.1° |
| C8 | N9 | C4 | C5 | 0.1° | 0.0° |
| C8 | N9 | C4 | N3 | 180.0° | 180.0° |
| C8 | N9 | C1' | C2' | 76.2° | 95.0° |
| C8 | N9 | C1' | O4' | 44.1° | 20.4° |
| C8 | N9 | C1' | H19 | 166.5° | 142.8° |
| C4 | N9 | C8 | N7 | 0.0° | 0.0° |
| N9 | C4 | C5 | N7 | 0.1° | 0.0° |
| N9 | C4 | C5 | C6 | 180.0° | 180.0° |
| N9 | C4 | C5 | N3 | 179.9° | 180.0° |
| N9 | C4 | N3 | C2 | 180.0° | 180.0° |
| C4 | N9 | C1' | C2' | 103.8° | 84.7° |
| C4 | N9 | C1' | O4' | 136.0° | 159.9° |
| C4 | N9 | C8 | H7 | 180.0° | 180.0° |
| C4 | N9 | C1' | H19 | 13.5° | 37.6° |
| C1' | N9 | C8 | N7 | 180.0° | 179.7° |
| C1' | N9 | C4 | C5 | 180.0° | 179.7° |
| C1' | N9 | C4 | N3 | 0.1° | 0.3° |
| N9 | C1' | O4' | C4' | 148.2° | 159.3° |
| N9 | C1' | C2' | C3' | 143.3° | 142.8° |
| N9 | C1' | C2' | O2' | 94.3° | 98.6° |
| N9 | C1' | C2' | O4' | 123.4° | 118.8° |
| N9 | C1' | C2' | H19 | 117.8° | 122.2° |
| N9 | C1' | O4' | H19 | 122.1° | 122.3° |
| C1' | N9 | C8 | H7 | 0.0° | 0.3° |
| N9 | C1' | C2' | H17 | 27.0° | 24.1° |
| C8 | N7 | C5 | C6 | 180.0° | 180.0° |
| C8 | N7 | C5 | C4 | 0.1° | 0.0° |
| N7 | C5 | C6 | C4 | 179.9° | 179.9° |
| N7 | C5 | C6 | N6 | 0.1° | 0.1° |
| N7 | C5 | C6 | N1 | 180.0° | 180.0° |
| N7 | C5 | C4 | N3 | 180.0° | 180.0° |
| C5 | N7 | C8 | H7 | 180.0° | 180.0° |
| C5 | C6 | N6 | N1 | 180.0° | 179.9° |
| C5 | C6 | N1 | C2 | 0.0° | 0.0° |
| C6 | C5 | C4 | N3 | 0.1° | 0.0° |
| C5 | C6 | N6 | H8 | 180.0° | 0.0° |
| C5 | C6 | N6 | H9 | 60.0° | 180.0° |
| C4 | C5 | C6 | N6 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 0.0° | 0.0° |
| C5 | C4 | N3 | C2 | 0.0° | 0.0° |
| N6 | C6 | N1 | C2 | 180.0° | 180.0° |
| C6 | N6 | H8 | H9 | 120.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.0° |
| N1 | C6 | N6 | H8 | 0.0° | 180.0° |
| N1 | C6 | N6 | H9 | 120.0° | 0.1° |
| C6 | N1 | C2 | H10 | 180.0° | 179.9° |
| N1 | C2 | N3 | H10 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.0° | 0.0° |
| C4 | N3 | C2 | H10 | 180.0° | 179.9° |
| O5' | C5' | C4' | H12 | 120.3° | 120.0° |
| O5' | C5' | C4' | H13 | 120.3° | 120.0° |
| O5' | C5' | C4' | C3' | 69.2° | 175.0° |
| O5' | C5' | C4' | O4' | 56.1° | 69.6° |
| O5' | C5' | H12 | H13 | 119.0° | 120.0° |
| O5' | C5' | C4' | H14 | 174.7° | 52.7° |
| C5' | C4' | C3' | O4' | 129.0° | 118.8° |
| C5' | C4' | C3' | H14 | 116.3° | 122.2° |
| C5' | C4' | O4' | H14 | 118.3° | 122.2° |
| C5' | C4' | C3' | O3' | 97.8° | 98.6° |
| C5' | C4' | C3' | C2' | 141.8° | 142.8° |
| C5' | C4' | O4' | C1' | 153.1° | 159.4° |
| C4' | C5' | H12 | H13 | 119.1° | 120.0° |
| C5' | C4' | C3' | H15 | 25.0° | 24.0° |
| C3' | C4' | O4' | H14 | 114.1° | 118.9° |
| C4' | C3' | O3' | C2' | 116.2° | 114.6° |
| C4' | C3' | O3' | H15 | 121.8° | 122.7° |
| C4' | C3' | C2' | H15 | 116.6° | 118.8° |
| C4' | C3' | C2' | O2' | 125.1° | 118.6° |
| C4' | C3' | C2' | C1' | 3.8° | 0.1° |
| C3' | C4' | O4' | C1' | 25.5° | 40.5° |
| C3' | C4' | C5' | H12 | 51.1° | 65.0° |
| C3' | C4' | C5' | H13 | 170.5° | 55.0° |
| C4' | C3' | O3' | H16 | 180.0° | 180.0° |
| C4' | C3' | C2' | H17 | 112.3° | 118.8° |
| O4' | C4' | C3' | O3' | 133.2° | 142.6° |
| O4' | C4' | C3' | C2' | 12.8° | 24.0° |
| C4' | O4' | C1' | C2' | 28.0° | 40.5° |
| O4' | C4' | C5' | H12 | 176.4° | 50.4° |
| O4' | C4' | C5' | H13 | 64.2° | 170.4° |
| O4' | C4' | C3' | H15 | 104.0° | 94.8° |
| C4' | O4' | C1' | H19 | 89.8° | 78.4° |
| O3' | C3' | C2' | H15 | 122.8° | 122.6° |
| O3' | C3' | C2' | O2' | 4.5° | 0.0° |
| O3' | C3' | C2' | C1' | 116.8° | 118.7° |
| O3' | C3' | C4' | H14 | 18.5° | 23.7° |
| O3' | C3' | C2' | H17 | 127.1° | 122.6° |
| C3' | C2' | O2' | C1' | 118.0° | 114.6° |
| C3' | C2' | O2' | H17 | 121.8° | 122.6° |
| C3' | C2' | C1' | H17 | 116.3° | 118.7° |
| C3' | C2' | C1' | O4' | 19.8° | 24.0° |
| C2' | C3' | C4' | H14 | 101.9° | 94.9° |
| C2' | C3' | O3' | H16 | 63.7° | 65.4° |
| C3' | C2' | O2' | H18 | 180.0° | 61.5° |
| C3' | C2' | C1' | H19 | 98.9° | 95.0° |
| O2' | C2' | C1' | H17 | 121.3° | 122.7° |
| O2' | C2' | C1' | O4' | 142.2° | 142.6° |
| O2' | C2' | C3' | H15 | 118.3° | 122.6° |
| O2' | C2' | C1' | H19 | 23.5° | 23.7° |
| C2' | C1' | O4' | H19 | 117.8° | 118.9° |
| C1' | C2' | C3' | H15 | 120.4° | 118.7° |
| C1' | C2' | O2' | H18 | 62.0° | 176.1° |
| C1' | O4' | C4' | H14 | 88.6° | 78.4° |
| O4' | C1' | C2' | H17 | 96.5° | 94.7° |
| H12 | C5' | C4' | H14 | 65.0° | 172.7° |
| H13 | C5' | C4' | H14 | 54.4° | 67.3° |
| H14 | C4' | C3' | H15 | 141.3° | 146.3° |
| H15 | C3' | O3' | H16 | 58.2° | 57.3° |
| H15 | C3' | C2' | H17 | 4.3° | 0.0° |
| H17 | C2' | O2' | H18 | 58.2° | 61.1° |
| H17 | C2' | C1' | H19 | 144.8° | 146.4° |
