BKP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.41Å | |
| O1A | PA | doub | 1.48Å | 1.54Å | |
| N2 | C2 | sing | 1.37Å | 1.45Å | |
| O2G | PG | doub | 1.48Å | 1.51Å | |
| O2' | C2' | sing | 1.43Å | 1.48Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C3' | C2' | sing | 1.55Å | 1.57Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C5' | sing | 1.53Å | 1.46Å | |
| PA | O5' | sing | 1.61Å | 1.63Å | |
| PA | O2A | sing | 1.61Å | 1.54Å | |
| PA | O3A | sing | 1.61Å | 1.64Å | |
| N3 | C2 | sing | 1.36Å | 1.36Å | |
| N3 | C4 | sing | 1.37Å | 1.35Å | |
| C2 | N1 | doub | 1.32Å | 1.33Å | |
| O5' | C5' | sing | 1.43Å | 1.39Å | |
| C2' | C1' | sing | 1.55Å | 1.47Å | |
| C1' | O4' | sing | 1.44Å | 1.65Å | |
| C1' | N9 | sing | 1.46Å | 1.57Å | |
| O3B | PG | sing | 1.61Å | 1.68Å | |
| O3B | PB | sing | 1.61Å | 1.65Å | |
| PG | O1G | sing | 1.61Å | 1.50Å | |
| PG | O3G | sing | 1.61Å | 1.65Å | |
| O3A | PB | sing | 1.61Å | 1.66Å | |
| N1 | C6 | sing | 1.34Å | 1.32Å | |
| C4 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| O1B | PB | doub | 1.48Å | 1.52Å | |
| PB | O2B | sing | 1.61Å | 1.50Å | |
| N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
| O3G | PD | sing | 1.61Å | 1.60Å | |
| O4A | PD | doub | 1.48Å | 1.52Å | |
| C6 | C5 | sing | 1.47Å | 1.42Å | |
| C6 | O6 | doub | 1.22Å | 1.38Å | |
| C5 | N7 | sing | 1.35Å | 1.33Å | Aromatic |
| PD | O4G | sing | 1.61Å | 1.54Å | |
| PD | O4B | sing | 1.61Å | 1.51Å | |
| C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
| O2B | H1 | sing | 0.97Å | 0.95Å | |
| O2A | H2 | sing | 0.97Å | 0.95Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| C3' | H6 | sing | 1.09Å | 1.10Å | |
| O3' | H7 | sing | 0.97Å | 0.95Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| O2' | H9 | sing | 0.97Å | 0.95Å | |
| C1' | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| O1G | H15 | sing | 0.97Å | 0.95Å | |
| O4B | H16 | sing | 0.97Å | 0.95Å | |
| O4G | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 110.7° | 110.5° |
| O3' | C3' | C2' | 107.2° | 110.5° |
| O3' | C3' | H6 | 112.1° | 110.5° |
| C3' | O3' | H7 | 109.5° | 114.0° |
| O1A | PA | O5' | 110.7° | 109.5° |
| O1A | PA | O2A | 117.5° | 109.5° |
| O1A | PA | O3A | 105.7° | 109.4° |
| N2 | C2 | N3 | 122.3° | 118.7° |
| N2 | C2 | N1 | 115.4° | 118.7° |
| C2 | N2 | H12 | 120.0° | 120.0° |
| C2 | N2 | H13 | 120.0° | 120.0° |
| O2G | PG | O3B | 112.1° | 109.5° |
| O2G | PG | O1G | 107.7° | 109.5° |
| O2G | PG | O3G | 107.6° | 109.4° |
| O2' | C2' | C3' | 111.2° | 110.9° |
| O2' | C2' | C1' | 102.3° | 110.9° |
| O2' | C2' | H8 | 113.8° | 110.8° |
| C2' | O2' | H9 | 109.5° | 114.0° |
| C4' | C3' | C2' | 106.3° | 104.2° |
| C3' | C4' | O4' | 108.1° | 107.3° |
| C3' | C4' | C5' | 114.8° | 109.9° |
| C3' | C4' | H5 | 112.7° | 109.9° |
| C4' | C3' | H6 | 110.5° | 110.5° |
| C3' | C2' | C1' | 101.8° | 102.1° |
| C2' | C3' | H6 | 109.8° | 110.5° |
| C3' | C2' | H8 | 112.5° | 110.9° |
| O4' | C4' | C5' | 91.7° | 109.9° |
| C4' | O4' | C1' | 102.5° | 107.0° |
| O4' | C4' | H5 | 114.2° | 109.9° |
| C4' | C5' | O5' | 101.3° | 109.5° |
| C4' | C5' | H3 | 111.5° | 109.5° |
| C4' | C5' | H4 | 111.5° | 109.5° |
| C5' | C4' | H5 | 113.6° | 109.9° |
| O5' | PA | O2A | 98.9° | 109.5° |
| O5' | PA | O3A | 111.9° | 109.5° |
| PA | O5' | C5' | 123.6° | 123.0° |
| O2A | PA | O3A | 112.3° | 109.5° |
| PA | O2A | H2 | 109.5° | 114.0° |
| PA | O3A | PB | 121.9° | 134.0° |
| C2 | N3 | C4 | 119.4° | 120.5° |
| N3 | C2 | N1 | 122.2° | 122.5° |
| C2 | N3 | H14 | 120.3° | 119.7° |
| N3 | C4 | N9 | 135.3° | 134.7° |
| N3 | C4 | C5 | 119.1° | 118.9° |
| C4 | N3 | H14 | 120.3° | 119.8° |
| C2 | N1 | C6 | 121.6° | 121.3° |
| O5' | C5' | H3 | 111.5° | 109.5° |
| O5' | C5' | H4 | 111.5° | 109.4° |
| C2' | C1' | O4' | 100.8° | 103.5° |
| C2' | C1' | N9 | 105.4° | 110.6° |
| C1' | C2' | H8 | 114.1° | 110.9° |
| C2' | C1' | H10 | 114.7° | 110.6° |
| O4' | C1' | N9 | 110.2° | 110.6° |
| O4' | C1' | H10 | 111.9° | 110.6° |
| C1' | N9 | C4 | 113.2° | 126.3° |
| C1' | N9 | C8 | 137.8° | 126.2° |
| N9 | C1' | H10 | 113.0° | 110.7° |
| PG | O3B | PB | 123.3° | 134.0° |
| O3B | PG | O1G | 116.5° | 109.5° |
| O3B | PG | O3G | 100.3° | 109.5° |
| O3B | PB | O3A | 114.9° | 109.5° |
| O3B | PB | O1B | 107.1° | 109.5° |
| O3B | PB | O2B | 113.4° | 109.5° |
| O1G | PG | O3G | 112.2° | 109.5° |
| PG | O1G | H15 | 109.5° | 113.9° |
| PG | O3G | PD | 127.2° | 134.0° |
| O3A | PB | O1B | 108.0° | 109.5° |
| O3A | PB | O2B | 107.4° | 109.5° |
| N1 | C6 | C5 | 118.7° | 118.6° |
| N1 | C6 | O6 | 119.0° | 120.7° |
| N9 | C4 | C5 | 105.6° | 106.4° |
| C4 | N9 | C8 | 109.0° | 107.5° |
| C4 | C5 | C6 | 118.9° | 118.1° |
| C4 | C5 | N7 | 107.4° | 107.4° |
| O1B | PB | O2B | 105.4° | 109.4° |
| PB | O2B | H1 | 109.5° | 114.0° |
| N9 | C8 | N7 | 109.4° | 109.6° |
| N9 | C8 | H11 | 125.3° | 125.2° |
| O3G | PD | O4A | 108.9° | 109.5° |
| O3G | PD | O4G | 104.4° | 109.5° |
| O3G | PD | O4B | 105.7° | 109.5° |
| O4A | PD | O4G | 110.6° | 109.5° |
| O4A | PD | O4B | 113.8° | 109.5° |
| C5 | C6 | O6 | 122.2° | 120.7° |
| C6 | C5 | N7 | 133.7° | 134.5° |
| C5 | N7 | C8 | 108.6° | 109.1° |
| O4G | PD | O4B | 112.8° | 109.4° |
| PD | O4G | H17 | 109.5° | 114.0° |
| PD | O4B | H16 | 109.5° | 114.0° |
| N7 | C8 | H11 | 125.3° | 125.2° |
| H3 | C5' | H4 | 109.4° | 109.5° |
| H12 | N2 | H13 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C2' | O2' | 17.8° | 20.4° |
| O3' | C3' | C4' | C2' | 116.1° | 118.7° |
| O3' | C3' | C4' | H6 | 124.8° | 122.6° |
| O3' | C3' | C2' | H6 | 122.0° | 122.6° |
| O3' | C3' | C4' | O4' | 117.1° | 120.7° |
| O3' | C3' | C4' | C5' | 142.3° | 119.9° |
| O3' | C3' | C2' | C1' | 90.6° | 97.8° |
| O3' | C3' | C4' | H5 | 10.1° | 1.2° |
| O3' | C3' | C2' | H8 | 146.8° | 144.0° |
| O1A | PA | O5' | O2A | 123.9° | 120.0° |
| O1A | PA | O5' | O3A | 117.6° | 120.0° |
| O1A | PA | O2A | O3A | 122.9° | 120.0° |
| O1A | PA | O5' | C5' | 118.1° | 55.0° |
| O1A | PA | O3A | PB | 85.5° | 40.0° |
| O1A | PA | O2A | H2 | 0.0° | 180.0° |
| N2 | C2 | N3 | N1 | 178.1° | 179.9° |
| N2 | C2 | N3 | C4 | 179.2° | 179.7° |
| N2 | C2 | N1 | C6 | 179.9° | 180.0° |
| C2 | N2 | H12 | H13 | 180.0° | 179.9° |
| N2 | C2 | N3 | H14 | 0.8° | 0.0° |
| O2G | PG | O3B | O1G | 124.8° | 120.0° |
| O2G | PG | O3B | O3G | 114.0° | 120.0° |
| O2G | PG | O3B | PB | 144.7° | 45.0° |
| O2G | PG | O1G | O3G | 118.3° | 120.0° |
| O2G | PG | O3G | PD | 93.4° | 40.0° |
| O2G | PG | O1G | H15 | 0.0° | 180.0° |
| O2' | C2' | C3' | C4' | 136.2° | 139.1° |
| O2' | C2' | C3' | C1' | 108.4° | 118.2° |
| O2' | C2' | C3' | H8 | 129.0° | 123.6° |
| O2' | C2' | C1' | H8 | 123.5° | 123.6° |
| O2' | C2' | C1' | O4' | 156.8° | 155.2° |
| O2' | C2' | C1' | N9 | 88.6° | 86.3° |
| O2' | C2' | C3' | H6 | 104.2° | 102.2° |
| O2' | C2' | C1' | H10 | 36.3° | 36.7° |
| C4' | C3' | C2' | H6 | 119.6° | 118.7° |
| C3' | C4' | O4' | C5' | 116.8° | 119.4° |
| C3' | C4' | O4' | H5 | 126.3° | 119.5° |
| C3' | C4' | C5' | H5 | 131.8° | 121.1° |
| C3' | C4' | C5' | O5' | 109.7° | 175.7° |
| C4' | C3' | C2' | C1' | 27.8° | 20.9° |
| C3' | C4' | O4' | C1' | 26.1° | 26.5° |
| C3' | C4' | C5' | H3 | 9.0° | 64.3° |
| C3' | C4' | C5' | H4 | 131.6° | 55.7° |
| C4' | C3' | O3' | H7 | 180.0° | 180.0° |
| C4' | C3' | C2' | H8 | 94.8° | 97.3° |
| C2' | C3' | C4' | O4' | 0.9° | 2.0° |
| C2' | C3' | C4' | C5' | 101.6° | 121.4° |
| C3' | C2' | C1' | H8 | 121.4° | 118.2° |
| C3' | C2' | C1' | O4' | 41.6° | 37.0° |
| C3' | C2' | C1' | N9 | 156.2° | 155.5° |
| C2' | C3' | C4' | H5 | 126.2° | 117.5° |
| C2' | C3' | O3' | H7 | 64.5° | 65.2° |
| C3' | C2' | O2' | H9 | 180.0° | 61.5° |
| C3' | C2' | C1' | H10 | 78.8° | 81.5° |
| O4' | C4' | C5' | H5 | 117.4° | 121.1° |
| O4' | C4' | C5' | O5' | 139.4° | 66.5° |
| C4' | O4' | C1' | C2' | 43.9° | 40.0° |
| C4' | O4' | C1' | N9 | 154.8° | 158.6° |
| O4' | C4' | C5' | H3 | 101.9° | 53.5° |
| O4' | C4' | C5' | H4 | 20.8° | 173.6° |
| O4' | C4' | C3' | H6 | 118.1° | 116.7° |
| C4' | O4' | C1' | H10 | 78.5° | 78.4° |
| C4' | C5' | O5' | PA | 119.3° | 180.0° |
| C4' | C5' | O5' | H3 | 118.7° | 120.0° |
| C4' | C5' | O5' | H4 | 118.7° | 120.0° |
| C5' | C4' | O4' | C1' | 142.9° | 145.9° |
| C4' | C5' | H3 | H4 | 123.8° | 120.0° |
| C5' | C4' | C3' | H6 | 17.5° | 2.8° |
| O5' | PA | O2A | O3A | 118.1° | 120.0° |
| O5' | PA | O3A | PB | 154.0° | 160.0° |
| O5' | PA | O2A | H2 | 119.0° | 60.0° |
| PA | O5' | C5' | H3 | 0.7° | 60.0° |
| PA | O5' | C5' | H4 | 122.0° | 60.0° |
| O2A | PA | O5' | C5' | 118.0° | 65.0° |
| O2A | PA | O3A | PB | 43.8° | 80.0° |
| O3A | PA | O5' | C5' | 0.5° | 175.0° |
| PA | O3A | PB | O3B | 100.2° | 165.0° |
| PA | O3A | PB | O1B | 19.3° | 45.0° |
| PA | O3A | PB | O2B | 132.5° | 75.0° |
| O3A | PA | O2A | H2 | 122.9° | 60.0° |
| C2 | N3 | C4 | H14 | 180.0° | 179.8° |
| N3 | C2 | N1 | C6 | 1.7° | 0.1° |
| C2 | N3 | C4 | N9 | 177.2° | 179.6° |
| C2 | N3 | C4 | C5 | 1.5° | 0.4° |
| N3 | C2 | N2 | H12 | 178.2° | 180.0° |
| N3 | C2 | N2 | H13 | 1.8° | 0.1° |
| C4 | N3 | C2 | N1 | 2.7° | 0.2° |
| N3 | C4 | N9 | C1' | 0.3° | 0.7° |
| N3 | C4 | N9 | C5 | 178.8° | 179.2° |
| N3 | C4 | N9 | C8 | 179.5° | 179.6° |
| N3 | C4 | C5 | C6 | 0.5° | 0.5° |
| N3 | C4 | C5 | N7 | 179.6° | 179.7° |
| C2 | N1 | C6 | C5 | 0.4° | 0.0° |
| C2 | N1 | C6 | O6 | 178.6° | 180.0° |
| N1 | C2 | N2 | H12 | 0.0° | 0.1° |
| N1 | C2 | N2 | H13 | 180.0° | 180.0° |
| N1 | C2 | N3 | H14 | 177.3° | 179.9° |
| O5' | C5' | H3 | H4 | 123.8° | 119.9° |
| O5' | C5' | C4' | H5 | 22.1° | 54.6° |
| C2' | C1' | O4' | N9 | 111.0° | 118.5° |
| C2' | C1' | O4' | H10 | 122.3° | 118.5° |
| C2' | C1' | N9 | H10 | 126.0° | 122.9° |
| C2' | C1' | N9 | C4 | 117.5° | 84.7° |
| C2' | C1' | N9 | C8 | 62.8° | 94.9° |
| C1' | C2' | C3' | H6 | 147.3° | 139.6° |
| C1' | C2' | O2' | H9 | 71.9° | 174.2° |
| O4' | C1' | N9 | H10 | 126.1° | 123.0° |
| O4' | C1' | N9 | C4 | 134.5° | 161.2° |
| O4' | C1' | N9 | C8 | 45.2° | 19.1° |
| C1' | O4' | C4' | H5 | 100.3° | 93.0° |
| O4' | C1' | C2' | H8 | 79.8° | 81.2° |
| C1' | N9 | C4 | C8 | 179.8° | 179.7° |
| C1' | N9 | C4 | C5 | 179.1° | 179.9° |
| C1' | N9 | C8 | N7 | 179.2° | 179.9° |
| N9 | C1' | C2' | H8 | 34.8° | 37.3° |
| C1' | N9 | C8 | H11 | 0.8° | 0.1° |
| O3B | PG | O1G | O3G | 114.7° | 120.0° |
| PG | O3B | PB | O3A | 156.9° | 160.0° |
| PG | O3B | PB | O1B | 36.9° | 40.0° |
| PG | O3B | PB | O2B | 78.9° | 80.0° |
| O3B | PG | O3G | PD | 149.2° | 160.0° |
| O3B | PG | O1G | H15 | 127.0° | 60.0° |
| PB | O3B | PG | O1G | 19.9° | 75.0° |
| PB | O3B | PG | O3G | 101.4° | 165.0° |
| O3B | PB | O3A | O1B | 119.5° | 120.0° |
| O3B | PB | O3A | O2B | 127.3° | 120.0° |
| O3B | PB | O1B | O2B | 121.1° | 120.0° |
| O3B | PB | O2B | H1 | 116.9° | 60.0° |
| O1G | PG | O3G | PD | 24.9° | 80.0° |
| PG | O3G | PD | O4A | 53.6° | 45.0° |
| PG | O3G | PD | O4G | 171.7° | 75.1° |
| PG | O3G | PD | O4B | 69.1° | 165.0° |
| O3G | PG | O1G | H15 | 118.3° | 60.0° |
| O3A | PB | O1B | O2B | 114.6° | 120.0° |
| O3A | PB | O2B | H1 | 115.0° | 60.0° |
| N1 | C6 | C5 | C4 | 1.4° | 0.2° |
| N1 | C6 | C5 | O6 | 178.2° | 180.0° |
| N1 | C6 | C5 | N7 | 178.7° | 180.0° |
| N9 | C4 | C5 | C6 | 179.5° | 179.8° |
| N9 | C4 | C5 | N7 | 0.6° | 0.4° |
| C4 | N9 | C8 | N7 | 0.5° | 0.3° |
| C4 | N9 | C1' | H10 | 8.4° | 38.2° |
| C4 | N9 | C8 | H11 | 179.5° | 179.8° |
| N9 | C4 | N3 | H14 | 2.9° | 0.7° |
| C5 | C4 | N9 | C8 | 0.7° | 0.4° |
| C4 | C5 | C6 | N7 | 179.9° | 179.8° |
| C4 | C5 | C6 | O6 | 179.6° | 179.7° |
| C4 | C5 | N7 | C8 | 0.3° | 0.2° |
| C5 | C4 | N3 | H14 | 178.5° | 179.8° |
| O1B | PB | O2B | H1 | 0.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.2° | 0.0° |
| N9 | C8 | N7 | H11 | 180.0° | 179.9° |
| C8 | N9 | C1' | H10 | 171.3° | 142.1° |
| O3G | PD | O4A | O4G | 114.2° | 120.0° |
| O3G | PD | O4A | O4B | 117.7° | 120.0° |
| O3G | PD | O4G | O4B | 114.3° | 120.0° |
| O3G | PD | O4B | H16 | 119.4° | 180.0° |
| O3G | PD | O4G | H17 | 116.9° | 59.9° |
| O4A | PD | O4G | O4B | 128.8° | 120.0° |
| O4A | PD | O4B | H16 | 0.0° | 60.0° |
| O4A | PD | O4G | H17 | 0.0° | 180.0° |
| C6 | C5 | N7 | C8 | 179.8° | 180.0° |
| O6 | C6 | C5 | N7 | 0.5° | 0.0° |
| C5 | N7 | C8 | H11 | 179.9° | 180.0° |
| O4G | PD | O4B | H16 | 127.1° | 60.0° |
| O4B | PD | O4G | H17 | 128.8° | 60.1° |
| H3 | C5' | C4' | H5 | 140.8° | 174.6° |
| H4 | C5' | C4' | H5 | 96.6° | 65.4° |
| H5 | C4' | C3' | H6 | 114.7° | 123.9° |
| H6 | C3' | O3' | H7 | 56.1° | 57.3° |
| H6 | C3' | C2' | H8 | 24.8° | 21.4° |
| H8 | C2' | O2' | H9 | 51.7° | 62.2° |
| H8 | C2' | C1' | H10 | 159.8° | 160.3° |
