8B4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3B | PB | doub | 1.48Å | 1.51Å | |
| O2A | PA | doub | 1.48Å | 1.51Å | |
| O1B | PB | sing | 1.61Å | 1.52Å | |
| PB | O2B | sing | 1.61Å | 1.51Å | |
| PB | O3A | sing | 1.61Å | 1.62Å | |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.54Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| PA | O3A | sing | 1.61Å | 1.62Å | |
| PA | O5' | sing | 1.61Å | 1.60Å | |
| PA | O1A | sing | 1.61Å | 1.49Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | O4' | sing | 1.45Å | 1.44Å | |
| C3' | C2' | sing | 1.54Å | 1.52Å | |
| F2' | C2' | sing | 1.40Å | 1.32Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C2' | C2M | sing | 1.53Å | 1.53Å | |
| C2' | C1' | sing | 1.55Å | 1.54Å | |
| C1' | C9 | sing | 1.51Å | 1.49Å | |
| C9 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| C9 | N4 | sing | 1.36Å | 1.32Å | Aromatic |
| C8 | N7 | sing | 1.33Å | 1.37Å | Aromatic |
| N4 | N3 | sing | 1.40Å | 1.38Å | Aromatic |
| N4 | C5 | sing | 1.37Å | 1.33Å | Aromatic |
| N7 | C5 | doub | 1.32Å | 1.37Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.40Å | Aromatic |
| C2 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.35Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C2M | H2 | sing | 1.09Å | 1.10Å | |
| C2M | H3 | sing | 1.09Å | 1.10Å | |
| C2M | H4 | sing | 1.09Å | 1.10Å | |
| C3' | H5 | sing | 1.09Å | 1.10Å | |
| O3' | H6 | sing | 0.97Å | 0.95Å | |
| C1' | H7 | sing | 1.09Å | 1.10Å | |
| C4' | H8 | sing | 1.09Å | 1.10Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| O1A | H11 | sing | 0.97Å | 0.95Å | |
| O1B | H12 | sing | 0.97Å | 0.95Å | |
| O2B | H13 | sing | 0.97Å | 0.95Å | |
| N6 | H14 | sing | 0.97Å | 1.00Å | |
| N6 | H15 | sing | 0.97Å | 1.00Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3B | PB | O1B | 117.0° | 109.5° |
| O3B | PB | O2B | 112.5° | 109.5° |
| O3B | PB | O3A | 106.7° | 109.5° |
| O2A | PA | O3A | 113.0° | 109.5° |
| O2A | PA | O5' | 109.3° | 109.5° |
| O2A | PA | O1A | 120.9° | 109.5° |
| O1B | PB | O2B | 111.3° | 109.4° |
| O1B | PB | O3A | 105.7° | 109.5° |
| PB | O1B | H12 | 109.5° | 114.0° |
| O2B | PB | O3A | 102.2° | 109.5° |
| PB | O2B | H13 | 109.5° | 114.0° |
| PB | O3A | PA | 127.2° | 134.0° |
| O3' | C3' | C4' | 112.9° | 110.6° |
| O3' | C3' | C2' | 113.5° | 110.5° |
| O3' | C3' | H5 | 110.9° | 110.5° |
| C3' | O3' | H6 | 109.5° | 114.0° |
| C4' | C5' | O5' | 114.3° | 109.5° |
| C5' | C4' | C3' | 115.6° | 110.3° |
| C5' | C4' | O4' | 114.5° | 110.4° |
| C5' | C4' | H8 | 106.7° | 110.4° |
| C4' | C5' | H9 | 108.2° | 109.5° |
| C4' | C5' | H10 | 108.3° | 109.4° |
| C5' | O5' | PA | 122.2° | 123.0° |
| O5' | C5' | H9 | 108.3° | 109.5° |
| O5' | C5' | H10 | 108.2° | 109.5° |
| O3A | PA | O5' | 103.7° | 109.5° |
| O3A | PA | O1A | 105.8° | 109.5° |
| O5' | PA | O1A | 102.4° | 109.4° |
| PA | O1A | H11 | 109.5° | 114.0° |
| C3' | C4' | O4' | 104.8° | 104.8° |
| C4' | C3' | C2' | 99.5° | 104.0° |
| C4' | C3' | H5 | 109.7° | 110.5° |
| C3' | C4' | H8 | 106.9° | 110.4° |
| C4' | O4' | C1' | 109.5° | 105.2° |
| O4' | C4' | H8 | 107.9° | 110.4° |
| C3' | C2' | F2' | 109.1° | 110.5° |
| C3' | C2' | C2M | 112.9° | 110.5° |
| C3' | C2' | C1' | 102.4° | 104.2° |
| C2' | C3' | H5 | 109.8° | 110.5° |
| F2' | C2' | C2M | 105.8° | 110.4° |
| F2' | C2' | C1' | 107.8° | 110.5° |
| O4' | C1' | C2' | 105.0° | 104.8° |
| O4' | C1' | C9 | 115.3° | 110.4° |
| O4' | C1' | H7 | 110.4° | 110.5° |
| C2M | C2' | C1' | 118.5° | 110.5° |
| C2' | C2M | H2 | 109.5° | 109.5° |
| C2' | C2M | H3 | 109.5° | 109.5° |
| C2' | C2M | H4 | 109.5° | 109.4° |
| C2' | C1' | C9 | 107.3° | 110.4° |
| C2' | C1' | H7 | 108.9° | 110.4° |
| C1' | C9 | C8 | 120.8° | 126.4° |
| C1' | C9 | N4 | 131.1° | 126.4° |
| C9 | C1' | H7 | 109.6° | 110.3° |
| C8 | C9 | N4 | 108.0° | 107.2° |
| C9 | C8 | N7 | 105.9° | 108.5° |
| C9 | C8 | H1 | 127.0° | 125.8° |
| C9 | N4 | N3 | 126.0° | 134.1° |
| C9 | N4 | C5 | 110.4° | 107.2° |
| C8 | N7 | C5 | 108.3° | 109.0° |
| N7 | C8 | H1 | 127.0° | 125.7° |
| N3 | N4 | C5 | 123.6° | 118.8° |
| N4 | N3 | C2 | 117.3° | 120.0° |
| N4 | C5 | N7 | 107.3° | 108.0° |
| N4 | C5 | C6 | 117.1° | 118.2° |
| N7 | C5 | C6 | 135.6° | 133.7° |
| N3 | C2 | N1 | 121.4° | 122.0° |
| N3 | C2 | H16 | 119.3° | 119.0° |
| C5 | C6 | N1 | 119.9° | 119.3° |
| C5 | C6 | N6 | 122.1° | 120.3° |
| C2 | N1 | C6 | 120.8° | 121.7° |
| N1 | C2 | H16 | 119.3° | 119.0° |
| N1 | C6 | N6 | 117.9° | 120.4° |
| C6 | N6 | H14 | 109.5° | 120.0° |
| C6 | N6 | H15 | 109.5° | 120.0° |
| H2 | C2M | H3 | 109.5° | 109.5° |
| H2 | C2M | H4 | 109.5° | 109.5° |
| H3 | C2M | H4 | 109.4° | 109.5° |
| H9 | C5' | H10 | 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) |
| O3B | PB | O1B | O2B | 131.3° | 120.0° |
| O3B | PB | O1B | O3A | 118.6° | 120.0° |
| O3B | PB | O2B | O3A | 114.1° | 120.0° |
| O3B | PB | O3A | PA | 9.9° | 45.0° |
| O3B | PB | O1B | H12 | 0.0° | 60.0° |
| O3B | PB | O2B | H13 | 0.0° | 180.0° |
| O2A | PA | O3A | PB | 19.0° | 40.0° |
| O2A | PA | O5' | C5' | 50.6° | 55.0° |
| O2A | PA | O3A | O5' | 118.2° | 120.0° |
| O2A | PA | O3A | O1A | 134.5° | 120.0° |
| O2A | PA | O5' | O1A | 129.4° | 120.0° |
| O2A | PA | O1A | H11 | 0.0° | 180.0° |
| O1B | PB | O2B | O3A | 112.4° | 120.0° |
| O1B | PB | O3A | PA | 115.2° | 165.0° |
| O1B | PB | O2B | H13 | 133.5° | 60.0° |
| O2B | PB | O3A | PA | 128.2° | 75.0° |
| O2B | PB | O1B | H12 | 131.3° | 60.0° |
| PB | O3A | PA | O5' | 99.1° | 160.0° |
| PB | O3A | PA | O1A | 153.5° | 80.0° |
| O3A | PB | O1B | H12 | 118.6° | 180.0° |
| O3A | PB | O2B | H13 | 114.1° | 60.0° |
| O3' | C3' | C4' | C5' | 72.1° | 98.5° |
| O3' | C3' | C4' | C2' | 120.7° | 118.7° |
| O3' | C3' | C4' | H5 | 124.2° | 122.7° |
| O3' | C3' | C4' | O4' | 160.8° | 142.7° |
| O3' | C3' | C2' | H5 | 124.8° | 122.6° |
| O3' | C3' | C2' | F2' | 47.0° | 0.1° |
| O3' | C3' | C2' | C2M | 70.3° | 122.5° |
| O3' | C3' | C2' | C1' | 161.0° | 118.8° |
| O3' | C3' | C4' | H8 | 46.5° | 23.8° |
| C4' | C5' | O5' | H9 | 120.7° | 120.0° |
| C4' | C5' | O5' | H10 | 120.7° | 120.0° |
| C4' | C5' | O5' | PA | 130.5° | 180.0° |
| C5' | C4' | C3' | O4' | 127.1° | 118.8° |
| C5' | C4' | C3' | H8 | 118.6° | 122.3° |
| C5' | C4' | O4' | H8 | 118.6° | 122.3° |
| C5' | C4' | C3' | C2' | 167.2° | 142.8° |
| C5' | C4' | O4' | C1' | 151.5° | 159.3° |
| C5' | C4' | C3' | H5 | 52.1° | 24.2° |
| C4' | C5' | H9 | H10 | 117.8° | 120.0° |
| C5' | O5' | PA | O3A | 70.2° | 175.0° |
| C5' | O5' | PA | O1A | 179.9° | 65.0° |
| O5' | C5' | C4' | C3' | 68.8° | 175.0° |
| O5' | C5' | C4' | O4' | 53.2° | 69.6° |
| O5' | C5' | C4' | H8 | 172.5° | 52.7° |
| O5' | C5' | H9 | H10 | 117.8° | 120.0° |
| O3A | PA | O5' | O1A | 109.9° | 120.0° |
| O3A | PA | O1A | H11 | 130.1° | 60.0° |
| PA | O5' | C5' | H9 | 108.8° | 60.0° |
| PA | O5' | C5' | H10 | 9.8° | 60.0° |
| O5' | PA | O1A | H11 | 121.7° | 60.0° |
| C3' | C4' | O4' | H8 | 113.7° | 118.9° |
| C4' | C3' | C2' | H5 | 115.0° | 118.7° |
| C4' | C3' | C2' | F2' | 73.3° | 118.6° |
| C3' | C4' | O4' | C1' | 23.8° | 40.5° |
| C4' | C3' | C2' | C2M | 169.4° | 118.8° |
| C4' | C3' | C2' | C1' | 40.8° | 0.1° |
| C4' | C3' | O3' | H6 | 180.0° | 65.3° |
| C3' | C4' | C5' | H9 | 170.5° | 55.0° |
| C3' | C4' | C5' | H10 | 51.9° | 65.0° |
| O4' | C4' | C3' | C2' | 40.2° | 24.0° |
| C4' | O4' | C1' | C2' | 2.8° | 40.4° |
| C4' | O4' | C1' | C9 | 115.1° | 159.2° |
| O4' | C4' | C3' | H5 | 74.9° | 94.7° |
| C4' | O4' | C1' | H7 | 120.0° | 78.5° |
| O4' | C4' | C5' | H9 | 67.5° | 170.4° |
| O4' | C4' | C5' | H10 | 173.9° | 50.3° |
| C3' | C2' | F2' | C2M | 121.7° | 122.6° |
| C3' | C2' | F2' | C1' | 110.5° | 114.8° |
| C3' | C2' | C1' | O4' | 28.1° | 23.9° |
| C3' | C2' | C2M | C1' | 119.7° | 114.8° |
| C3' | C2' | C1' | C9 | 95.0° | 142.7° |
| C3' | C2' | C2M | H2 | 180.0° | 176.7° |
| C3' | C2' | C2M | H3 | 60.0° | 56.7° |
| C3' | C2' | C2M | H4 | 60.0° | 63.3° |
| C2' | C3' | O3' | H6 | 67.6° | 180.0° |
| C3' | C2' | C1' | H7 | 146.4° | 95.0° |
| C2' | C3' | C4' | H8 | 74.2° | 94.9° |
| F2' | C2' | C1' | O4' | 86.8° | 142.7° |
| F2' | C2' | C2M | C1' | 121.1° | 122.5° |
| F2' | C2' | C1' | C9 | 150.0° | 98.5° |
| F2' | C2' | C2M | H2 | 60.8° | 60.7° |
| F2' | C2' | C2M | H3 | 179.2° | 179.3° |
| F2' | C2' | C2M | H4 | 59.2° | 59.3° |
| F2' | C2' | C3' | H5 | 171.7° | 122.7° |
| F2' | C2' | C1' | H7 | 31.4° | 23.7° |
| O4' | C1' | C2' | C2M | 153.2° | 94.8° |
| O4' | C1' | C2' | C9 | 123.2° | 118.8° |
| O4' | C1' | C2' | H7 | 118.2° | 119.0° |
| O4' | C1' | C9 | H7 | 125.3° | 122.4° |
| O4' | C1' | C9 | C8 | 28.5° | 159.7° |
| O4' | C1' | C9 | N4 | 156.2° | 20.4° |
| C1' | O4' | C4' | H8 | 89.9° | 78.4° |
| C2M | C2' | C1' | C9 | 30.0° | 24.0° |
| C2' | C2M | H2 | H3 | 120.0° | 120.0° |
| C2' | C2M | H2 | H4 | 120.0° | 120.0° |
| C2' | C2M | H3 | H4 | 120.0° | 120.0° |
| C2M | C2' | C3' | H5 | 54.4° | 0.1° |
| C2M | C2' | C1' | H7 | 88.6° | 146.2° |
| C2' | C1' | C9 | H7 | 118.1° | 122.3° |
| C2' | C1' | C9 | C8 | 88.1° | 85.0° |
| C2' | C1' | C9 | N4 | 87.2° | 94.9° |
| C1' | C2' | C2M | H2 | 60.3° | 61.9° |
| C1' | C2' | C2M | H3 | 59.8° | 58.1° |
| C1' | C2' | C2M | H4 | 179.7° | 178.1° |
| C1' | C2' | C3' | H5 | 74.2° | 118.6° |
| C1' | C9 | C8 | N4 | 176.3° | 179.9° |
| C1' | C9 | C8 | N7 | 177.7° | 179.9° |
| C1' | C9 | N4 | N3 | 3.4° | 0.1° |
| C1' | C9 | N4 | C5 | 176.9° | 179.8° |
| C1' | C9 | C8 | H1 | 2.3° | 0.2° |
| C9 | C8 | N7 | H1 | 180.0° | 179.7° |
| C8 | C9 | N4 | N3 | 179.2° | 180.0° |
| C8 | C9 | N4 | C5 | 1.2° | 0.3° |
| C9 | C8 | N7 | C5 | 1.1° | 0.3° |
| C8 | C9 | C1' | H7 | 153.8° | 37.3° |
| N4 | C9 | C8 | N7 | 1.4° | 0.0° |
| C9 | N4 | N3 | C5 | 179.6° | 179.6° |
| C9 | N4 | C5 | N7 | 0.5° | 0.5° |
| C9 | N4 | N3 | C2 | 179.7° | 180.0° |
| C9 | N4 | C5 | C6 | 179.9° | 179.9° |
| N4 | C9 | C8 | H1 | 178.6° | 179.7° |
| N4 | C9 | C1' | H7 | 30.9° | 142.8° |
| C8 | N7 | C5 | N4 | 0.5° | 0.5° |
| C8 | N7 | C5 | C6 | 179.1° | 180.0° |
| N3 | N4 | C5 | N7 | 179.9° | 179.8° |
| N3 | N4 | C5 | C6 | 0.2° | 0.2° |
| N4 | N3 | C2 | N1 | 0.1° | 0.9° |
| N4 | N3 | C2 | H16 | 179.9° | 179.7° |
| N4 | C5 | N7 | C6 | 179.6° | 179.5° |
| C5 | N4 | N3 | C2 | 0.1° | 0.4° |
| N4 | C5 | C6 | N1 | 0.3° | 0.5° |
| N4 | C5 | C6 | N6 | 179.1° | 179.5° |
| N7 | C5 | C6 | N1 | 179.9° | 180.0° |
| N7 | C5 | C6 | N6 | 0.5° | 1.1° |
| C5 | N7 | C8 | H1 | 178.8° | 180.0° |
| N3 | C2 | N1 | H16 | 180.0° | 178.8° |
| N3 | C2 | N1 | C6 | 0.2° | 1.2° |
| C5 | C6 | N1 | C2 | 0.3° | 1.0° |
| C5 | C6 | N1 | N6 | 179.5° | 179.0° |
| C5 | C6 | N6 | H14 | 179.4° | 179.0° |
| C5 | C6 | N6 | H15 | 60.5° | 1.0° |
| C2 | N1 | C6 | N6 | 179.1° | 180.0° |
| N1 | C6 | N6 | H14 | 0.0° | 0.0° |
| N1 | C6 | N6 | H15 | 120.0° | 179.9° |
| C6 | N1 | C2 | H16 | 179.8° | 180.0° |
| C6 | N6 | H14 | H15 | 120.0° | 180.0° |
| H2 | C2M | H3 | H4 | 120.0° | 120.0° |
| H5 | C3' | O3' | H6 | 56.5° | 57.4° |
| H5 | C3' | C4' | H8 | 170.7° | 146.5° |
| H8 | C4' | C5' | H9 | 51.7° | 67.3° |
| H8 | C4' | C5' | H10 | 66.8° | 172.7° |
