WSB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | doub | 1.22Å | 1.23Å | |
| C4 | N3 | sing | 1.35Å | 1.38Å | |
| C4 | C5 | sing | 1.42Å | 1.43Å | |
| N3 | C2 | sing | 1.35Å | 1.37Å | |
| C5 | C6 | doub | 1.35Å | 1.34Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| C2 | N1 | sing | 1.35Å | 1.38Å | |
| C6 | N1 | sing | 1.37Å | 1.37Å | |
| N1 | C1' | sing | 1.46Å | 1.47Å | |
| O1A | PA | doub | 1.48Å | 1.50Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| O5' | PA | sing | 1.61Å | 1.59Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| PA | O2A | sing | 1.61Å | 1.50Å | |
| PA | C3A | sing | 1.82Å | 1.82Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C3A | PB | sing | 1.82Å | 1.82Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| O1G | PG | doub | 1.48Å | 1.51Å | |
| PB | O2B | doub | 1.48Å | 1.50Å | |
| PB | O1B | sing | 1.61Å | 1.50Å | |
| PB | O3B | sing | 1.61Å | 1.59Å | |
| O3B | PG | sing | 1.61Å | 1.61Å | |
| PG | O3G | sing | 1.61Å | 1.51Å | |
| PG | O2G | sing | 1.61Å | 1.51Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C1' | H4 | sing | 1.09Å | 1.10Å | |
| C2' | H5 | sing | 1.09Å | 1.10Å | |
| C3' | H6 | sing | 1.09Å | 1.10Å | |
| C3A | H7 | sing | 1.09Å | 1.10Å | |
| C3A | H8 | sing | 1.09Å | 1.10Å | |
| C4' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| O1B | H12 | sing | 0.97Å | 0.95Å | |
| O2' | H13 | sing | 0.97Å | 0.95Å | |
| O2A | H14 | sing | 0.97Å | 0.95Å | |
| O2G | H15 | sing | 0.97Å | 0.95Å | |
| O3' | H16 | sing | 0.97Å | 0.95Å | |
| O3G | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | N3 | 119.4° | 120.3° |
| O4 | C4 | C5 | 125.9° | 120.3° |
| N3 | C4 | C5 | 114.7° | 119.4° |
| C4 | N3 | C2 | 127.1° | 120.2° |
| C4 | N3 | H1 | 116.5° | 119.9° |
| C4 | C5 | C6 | 119.5° | 119.1° |
| C4 | C5 | H2 | 120.3° | 120.5° |
| N3 | C2 | O2 | 122.3° | 119.6° |
| N3 | C2 | N1 | 114.9° | 121.0° |
| C2 | N3 | H1 | 116.5° | 119.9° |
| C5 | C6 | N1 | 122.5° | 119.7° |
| C6 | C5 | H2 | 120.2° | 120.4° |
| C5 | C6 | H3 | 118.7° | 120.2° |
| O2 | C2 | N1 | 122.9° | 119.5° |
| C2 | N1 | C6 | 121.4° | 120.6° |
| C2 | N1 | C1' | 117.9° | 119.7° |
| C6 | N1 | C1' | 120.8° | 119.7° |
| N1 | C6 | H3 | 118.8° | 120.2° |
| N1 | C1' | O4' | 107.7° | 110.4° |
| N1 | C1' | C2' | 114.0° | 110.4° |
| N1 | C1' | H4 | 109.3° | 110.3° |
| O1A | PA | O5' | 108.8° | 109.5° |
| O1A | PA | O2A | 115.8° | 109.5° |
| O1A | PA | C3A | 107.7° | 109.4° |
| O4' | C1' | C2' | 107.0° | 104.8° |
| C1' | O4' | C4' | 110.0° | 105.2° |
| O4' | C1' | H4 | 110.1° | 110.3° |
| C1' | C2' | O2' | 109.6° | 110.5° |
| C1' | C2' | C3' | 102.8° | 104.1° |
| C2' | C1' | H4 | 108.7° | 110.5° |
| C1' | C2' | H5 | 109.9° | 110.5° |
| O4' | C4' | C5' | 109.8° | 110.3° |
| O4' | C4' | C3' | 105.2° | 104.8° |
| O4' | C4' | H9 | 109.1° | 110.5° |
| PA | O5' | C5' | 118.5° | 123.0° |
| O5' | PA | O2A | 109.2° | 109.5° |
| O5' | PA | C3A | 106.7° | 109.5° |
| O5' | C5' | C4' | 109.7° | 109.5° |
| O5' | C5' | H10 | 109.4° | 109.5° |
| O5' | C5' | H11 | 109.4° | 109.5° |
| O2A | PA | C3A | 108.2° | 109.5° |
| PA | O2A | H14 | 109.5° | 114.0° |
| PA | C3A | PB | 115.0° | 109.5° |
| PA | C3A | H7 | 108.1° | 109.4° |
| PA | C3A | H8 | 108.1° | 109.5° |
| O2' | C2' | C3' | 112.7° | 110.5° |
| O2' | C2' | H5 | 111.6° | 110.4° |
| C2' | O2' | H13 | 109.5° | 114.0° |
| C2' | C3' | C4' | 102.0° | 104.0° |
| C2' | C3' | O3' | 110.7° | 110.5° |
| C3' | C2' | H5 | 109.9° | 110.6° |
| C2' | C3' | H6 | 110.5° | 110.5° |
| C5' | C4' | C3' | 116.1° | 110.4° |
| C5' | C4' | H9 | 108.3° | 110.3° |
| C4' | C5' | H10 | 109.4° | 109.5° |
| C4' | C5' | H11 | 109.4° | 109.5° |
| C4' | C3' | O3' | 110.7° | 110.5° |
| C4' | C3' | H6 | 110.5° | 110.7° |
| C3' | C4' | H9 | 108.1° | 110.4° |
| C3A | PB | O2B | 108.0° | 109.5° |
| C3A | PB | O1B | 107.6° | 109.5° |
| C3A | PB | O3B | 105.7° | 109.5° |
| PB | C3A | H7 | 108.0° | 109.4° |
| PB | C3A | H8 | 108.1° | 109.5° |
| O3' | C3' | H6 | 112.0° | 110.5° |
| C3' | O3' | H16 | 109.5° | 114.0° |
| O1G | PG | O3B | 106.2° | 109.5° |
| O1G | PG | O3G | 112.7° | 109.5° |
| O1G | PG | O2G | 112.8° | 109.5° |
| O2B | PB | O1B | 116.2° | 109.5° |
| O2B | PB | O3B | 110.0° | 109.5° |
| O1B | PB | O3B | 108.7° | 109.5° |
| PB | O1B | H12 | 109.5° | 114.0° |
| PB | O3B | PG | 131.5° | 134.0° |
| O3B | PG | O3G | 105.7° | 109.5° |
| O3B | PG | O2G | 105.8° | 109.5° |
| O3G | PG | O2G | 112.8° | 109.4° |
| PG | O3G | H17 | 109.5° | 114.0° |
| PG | O2G | H15 | 109.5° | 114.0° |
| H7 | C3A | H8 | 109.5° | 109.5° |
| H10 | C5' | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | N3 | C5 | 180.0° | 179.7° |
| O4 | C4 | N3 | C2 | 180.0° | 180.0° |
| O4 | C4 | C5 | C6 | 179.9° | 180.0° |
| O4 | C4 | N3 | H1 | 0.0° | 0.0° |
| O4 | C4 | C5 | H2 | 0.1° | 0.3° |
| C4 | N3 | C2 | H1 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C4 | N3 | C2 | O2 | 180.0° | 180.0° |
| C4 | N3 | C2 | N1 | 0.0° | 0.0° |
| N3 | C4 | C5 | H2 | 179.9° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.3° |
| C4 | C5 | C6 | H2 | 180.0° | 179.6° |
| C4 | C5 | C6 | N1 | 0.3° | 0.0° |
| C5 | C4 | N3 | H1 | 179.9° | 179.7° |
| C4 | C5 | C6 | H3 | 179.7° | 180.0° |
| N3 | C2 | O2 | N1 | 179.9° | 179.9° |
| N3 | C2 | N1 | C6 | 0.3° | 0.3° |
| N3 | C2 | N1 | C1' | 179.6° | 180.0° |
| C5 | C6 | N1 | C2 | 0.4° | 0.2° |
| C5 | C6 | N1 | H3 | 180.0° | 179.9° |
| C5 | C6 | N1 | C1' | 179.7° | 179.9° |
| O2 | C2 | N1 | C6 | 179.8° | 179.7° |
| O2 | C2 | N1 | C1' | 0.5° | 0.0° |
| O2 | C2 | N3 | H1 | 0.0° | 0.0° |
| C2 | N1 | C6 | C1' | 179.3° | 179.7° |
| C2 | N1 | C1' | O4' | 155.6° | 53.9° |
| C2 | N1 | C1' | C2' | 85.8° | 61.6° |
| N1 | C2 | N3 | H1 | 179.9° | 180.0° |
| C2 | N1 | C6 | H3 | 179.6° | 179.7° |
| C2 | N1 | C1' | H4 | 36.1° | 176.0° |
| C6 | N1 | C1' | O4' | 25.0° | 126.4° |
| C6 | N1 | C1' | C2' | 93.5° | 118.1° |
| N1 | C6 | C5 | H2 | 179.7° | 179.7° |
| C6 | N1 | C1' | H4 | 144.6° | 4.3° |
| N1 | C1' | O4' | C2' | 123.0° | 118.9° |
| N1 | C1' | O4' | H4 | 119.1° | 122.1° |
| N1 | C1' | C2' | H4 | 122.2° | 122.3° |
| N1 | C1' | O4' | C4' | 119.6° | 159.4° |
| N1 | C1' | C2' | O2' | 145.3° | 98.5° |
| N1 | C1' | C2' | C3' | 94.6° | 142.8° |
| C1' | N1 | C6 | H3 | 0.3° | 0.0° |
| N1 | C1' | C2' | H5 | 22.4° | 24.0° |
| O1A | PA | O5' | O2A | 127.3° | 120.0° |
| O1A | PA | O5' | C3A | 116.0° | 119.9° |
| O1A | PA | O5' | C5' | 152.7° | 55.0° |
| O1A | PA | O2A | C3A | 120.9° | 120.0° |
| O1A | PA | C3A | PB | 171.3° | 60.0° |
| O1A | PA | C3A | H7 | 67.9° | 180.0° |
| O1A | PA | C3A | H8 | 50.5° | 60.0° |
| O1A | PA | O2A | H14 | 0.0° | 180.0° |
| O4' | C1' | C2' | H4 | 118.8° | 118.9° |
| O4' | C1' | C2' | O2' | 95.7° | 142.6° |
| O4' | C1' | C2' | C3' | 24.4° | 23.9° |
| C1' | O4' | C4' | C5' | 144.7° | 159.3° |
| C1' | O4' | C4' | C3' | 19.1° | 40.5° |
| O4' | C1' | C2' | H5 | 141.4° | 94.8° |
| C1' | O4' | C4' | H9 | 96.7° | 78.4° |
| C2' | C1' | O4' | C4' | 3.4° | 40.5° |
| C1' | C2' | O2' | C3' | 113.8° | 114.7° |
| C1' | C2' | O2' | H5 | 121.9° | 122.6° |
| C1' | C2' | C3' | H5 | 117.0° | 118.7° |
| C1' | C2' | C3' | C4' | 34.6° | 0.1° |
| C1' | C2' | C3' | O3' | 152.5° | 118.6° |
| C1' | C2' | C3' | H6 | 82.8° | 118.8° |
| C1' | C2' | O2' | H13 | 180.0° | 180.0° |
| O4' | C4' | C5' | O5' | 50.4° | 69.6° |
| O4' | C4' | C3' | C2' | 33.4° | 24.0° |
| O4' | C4' | C5' | C3' | 119.1° | 115.4° |
| O4' | C4' | C5' | H9 | 119.1° | 122.4° |
| O4' | C4' | C3' | H9 | 116.5° | 119.0° |
| O4' | C4' | C3' | O3' | 151.3° | 142.6° |
| C4' | O4' | C1' | H4 | 121.3° | 78.5° |
| O4' | C4' | C3' | H6 | 84.1° | 94.7° |
| O4' | C4' | C5' | H10 | 170.4° | 170.4° |
| O4' | C4' | C5' | H11 | 69.6° | 50.4° |
| O5' | PA | O2A | C3A | 115.8° | 120.0° |
| PA | O5' | C5' | C4' | 166.5° | 180.0° |
| O5' | PA | C3A | PB | 72.0° | 180.0° |
| O5' | PA | C3A | H7 | 48.8° | 60.1° |
| O5' | PA | C3A | H8 | 167.2° | 60.0° |
| PA | O5' | C5' | H10 | 46.5° | 60.0° |
| PA | O5' | C5' | H11 | 73.5° | 60.0° |
| O5' | PA | O2A | H14 | 123.2° | 60.0° |
| C5' | O5' | PA | O2A | 25.4° | 65.0° |
| C5' | O5' | PA | C3A | 91.3° | 174.9° |
| O5' | C5' | C4' | H10 | 120.0° | 120.0° |
| O5' | C5' | C4' | H11 | 120.0° | 120.0° |
| O5' | C5' | C4' | C3' | 68.7° | 175.1° |
| O5' | C5' | C4' | H9 | 169.5° | 52.8° |
| O5' | C5' | H10 | H11 | 119.9° | 120.0° |
| O2A | PA | C3A | PB | 45.5° | 60.0° |
| O2A | PA | C3A | H7 | 166.2° | 60.0° |
| O2A | PA | C3A | H8 | 75.4° | 180.0° |
| PA | C3A | PB | H7 | 120.8° | 119.9° |
| PA | C3A | PB | H8 | 120.8° | 120.0° |
| PA | C3A | PB | O2B | 99.6° | 60.0° |
| PA | C3A | PB | O1B | 26.6° | 60.0° |
| PA | C3A | PB | O3B | 142.7° | 180.0° |
| PA | C3A | H7 | H8 | 117.5° | 120.0° |
| C3A | PA | O2A | H14 | 120.9° | 60.0° |
| O2' | C2' | C3' | H5 | 125.1° | 122.6° |
| O2' | C2' | C3' | C4' | 83.3° | 118.6° |
| O2' | C2' | C3' | O3' | 34.6° | 0.1° |
| O2' | C2' | C1' | H4 | 23.1° | 23.8° |
| O2' | C2' | C3' | H6 | 159.3° | 122.5° |
| C2' | C3' | C4' | C5' | 155.0° | 142.8° |
| C2' | C3' | C4' | O3' | 117.9° | 118.6° |
| C2' | C3' | C4' | H6 | 117.5° | 118.7° |
| C2' | C3' | O3' | H6 | 123.8° | 122.7° |
| C3' | C2' | C1' | H4 | 143.2° | 94.9° |
| C2' | C3' | C4' | H9 | 83.0° | 95.0° |
| C3' | C2' | O2' | H13 | 66.2° | 65.2° |
| C2' | C3' | O3' | H16 | 180.0° | 61.5° |
| C5' | C4' | C3' | H9 | 121.9° | 122.2° |
| C5' | C4' | C3' | O3' | 87.1° | 98.6° |
| C5' | C4' | C3' | H6 | 37.5° | 24.1° |
| C4' | C5' | H10 | H11 | 119.9° | 120.0° |
| C4' | C3' | O3' | H6 | 123.7° | 122.8° |
| C4' | C3' | C2' | H5 | 151.6° | 118.8° |
| C3' | C4' | C5' | H10 | 51.3° | 55.0° |
| C3' | C4' | C5' | H11 | 171.3° | 65.0° |
| C4' | C3' | O3' | H16 | 67.6° | 176.1° |
| C3A | PB | O2B | O1B | 121.0° | 120.0° |
| C3A | PB | O2B | O3B | 114.9° | 120.0° |
| C3A | PB | O1B | O3B | 114.1° | 120.0° |
| C3A | PB | O3B | PG | 66.2° | 180.0° |
| PB | C3A | H7 | H8 | 117.5° | 120.0° |
| C3A | PB | O1B | H12 | 121.2° | 60.0° |
| O3' | C3' | C2' | H5 | 90.5° | 122.7° |
| O3' | C3' | C4' | H9 | 34.8° | 23.6° |
| O1G | PG | O3B | PB | 81.1° | 45.0° |
| O1G | PG | O3B | O3G | 120.0° | 120.0° |
| O1G | PG | O3B | O2G | 120.1° | 120.0° |
| O1G | PG | O3G | O2G | 129.2° | 120.0° |
| O1G | PG | O2G | H15 | 0.0° | 60.0° |
| O1G | PG | O3G | H17 | 0.0° | 179.9° |
| O2B | PB | O1B | O3B | 124.7° | 120.0° |
| O2B | PB | O3B | PG | 177.4° | 60.0° |
| O2B | PB | C3A | H7 | 21.2° | 60.0° |
| O2B | PB | C3A | H8 | 139.6° | 180.0° |
| O2B | PB | O1B | H12 | 0.0° | 180.0° |
| O1B | PB | O3B | PG | 49.2° | 60.0° |
| O1B | PB | C3A | H7 | 147.4° | 180.0° |
| O1B | PB | C3A | H8 | 94.2° | 60.0° |
| PB | O3B | PG | O3G | 38.9° | 75.0° |
| PB | O3B | PG | O2G | 158.8° | 165.0° |
| O3B | PB | C3A | H7 | 96.5° | 60.0° |
| O3B | PB | C3A | H8 | 21.9° | 60.0° |
| O3B | PB | O1B | H12 | 124.7° | 60.0° |
| O3B | PG | O3G | O2G | 115.2° | 120.0° |
| O3B | PG | O2G | H15 | 115.7° | 180.0° |
| O3B | PG | O3G | H17 | 115.6° | 60.0° |
| O3G | PG | O2G | H15 | 129.1° | 60.0° |
| O2G | PG | O3G | H17 | 129.2° | 60.0° |
| H2 | C5 | C6 | H3 | 0.3° | 0.4° |
| H4 | C1' | C2' | H5 | 99.8° | 146.3° |
| H5 | C2' | C3' | H6 | 34.1° | 0.0° |
| H5 | C2' | O2' | H13 | 58.1° | 57.4° |
| H6 | C3' | C4' | H9 | 159.4° | 146.3° |
| H6 | C3' | O3' | H16 | 56.2° | 61.1° |
| H9 | C4' | C5' | H10 | 70.5° | 67.3° |
| H9 | C4' | C5' | H11 | 49.4° | 172.8° |
