DUT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.39Å | |
| N1 | C6 | sing | 1.37Å | 1.38Å | |
| N1 | C1' | sing | 1.46Å | 1.47Å | |
| C2 | N3 | sing | 1.35Å | 1.37Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.42Å | 1.43Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C5 | C6 | doub | 1.35Å | 1.34Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| C2' | H2'1 | sing | 1.09Å | 1.12Å | |
| C2' | H2'2 | sing | 1.09Å | 1.11Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.45Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.45Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| O5' | PA | sing | 1.61Å | 1.63Å | |
| PA | O1A | doub | 1.48Å | 1.49Å | |
| PA | O2A | sing | 1.61Å | 1.49Å | |
| PA | O3A | sing | 1.61Å | 1.63Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.63Å | |
| PB | O1B | doub | 1.48Å | 1.48Å | |
| PB | O2B | sing | 1.61Å | 1.48Å | |
| PB | O3B | sing | 1.61Å | 1.62Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O3B | PG | sing | 1.61Å | 1.63Å | |
| PG | O1G | doub | 1.48Å | 1.52Å | |
| PG | O2G | sing | 1.61Å | 1.52Å | |
| PG | O3G | sing | 1.61Å | 1.52Å | |
| O2G | HOG2 | sing | 0.97Å | 0.95Å | |
| O3G | HOG3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 120.9° | 120.6° |
| C2 | N1 | C1' | 117.9° | 119.7° |
| N1 | C2 | N3 | 114.9° | 120.9° |
| N1 | C2 | O2 | 123.2° | 119.5° |
| C6 | N1 | C1' | 121.2° | 119.7° |
| N1 | C6 | C5 | 122.6° | 119.7° |
| N1 | C6 | H6 | 120.2° | 120.2° |
| N1 | C1' | C2' | 114.5° | 110.4° |
| N1 | C1' | O4' | 108.0° | 110.5° |
| N1 | C1' | H1' | 106.4° | 110.3° |
| N3 | C2 | O2 | 121.9° | 119.5° |
| C2 | N3 | C4 | 127.2° | 120.3° |
| C2 | N3 | HN3 | 116.0° | 119.9° |
| C4 | N3 | HN3 | 116.8° | 119.9° |
| N3 | C4 | C5 | 114.8° | 119.4° |
| N3 | C4 | O4 | 119.2° | 120.3° |
| C5 | C4 | O4 | 126.0° | 120.3° |
| C4 | C5 | C6 | 119.7° | 119.1° |
| C4 | C5 | H5 | 123.6° | 120.4° |
| C6 | C5 | H5 | 116.8° | 120.5° |
| C5 | C6 | H6 | 117.2° | 120.2° |
| C2' | C1' | O4' | 107.1° | 104.8° |
| C2' | C1' | H1' | 107.2° | 110.4° |
| C1' | C2' | C3' | 103.2° | 104.1° |
| C1' | C2' | H2'1 | 114.6° | 110.5° |
| C1' | C2' | H2'2 | 114.6° | 110.6° |
| O4' | C1' | H1' | 113.8° | 110.4° |
| C1' | O4' | C4' | 110.2° | 105.4° |
| C3' | C2' | H2'1 | 114.5° | 110.5° |
| C3' | C2' | H2'2 | 114.5° | 110.5° |
| C2' | C3' | C4' | 102.8° | 104.2° |
| C2' | C3' | O3' | 113.4° | 110.5° |
| C2' | C3' | H3' | 111.8° | 110.5° |
| H2'1 | C2' | H2'2 | 95.9° | 110.5° |
| C4' | C3' | O3' | 110.6° | 110.5° |
| C4' | C3' | H3' | 114.5° | 110.5° |
| C3' | C4' | O4' | 104.9° | 104.7° |
| C3' | C4' | C5' | 114.4° | 110.7° |
| C3' | C4' | H4' | 109.4° | 110.2° |
| O3' | C3' | H3' | 104.1° | 110.4° |
| C3' | O3' | HO3' | 113.4° | 106.8° |
| O4' | C4' | C5' | 109.7° | 110.4° |
| O4' | C4' | H4' | 114.1° | 110.4° |
| C5' | C4' | H4' | 104.6° | 110.3° |
| C4' | C5' | O5' | 110.4° | 109.5° |
| C4' | C5' | H5'1 | 111.9° | 109.5° |
| C4' | C5' | H5'2 | 111.9° | 109.4° |
| O5' | C5' | H5'1 | 111.9° | 109.4° |
| O5' | C5' | H5'2 | 111.9° | 109.4° |
| C5' | O5' | PA | 121.3° | 106.9° |
| H5'1 | C5' | H5'2 | 98.6° | 109.4° |
| O5' | PA | O1A | 107.3° | 109.4° |
| O5' | PA | O2A | 107.0° | 109.5° |
| O5' | PA | O3A | 107.0° | 109.5° |
| O1A | PA | O2A | 120.7° | 109.4° |
| O1A | PA | O3A | 106.8° | 109.4° |
| O2A | PA | O3A | 107.3° | 109.5° |
| PA | O2A | HOA2 | 107.0° | 106.8° |
| PA | O3A | PB | 131.9° | 106.8° |
| O3A | PB | O1B | 107.1° | 109.5° |
| O3A | PB | O2B | 108.2° | 109.4° |
| O3A | PB | O3B | 106.2° | 109.5° |
| O1B | PB | O2B | 120.6° | 109.5° |
| O1B | PB | O3B | 107.3° | 109.5° |
| O2B | PB | O3B | 106.6° | 109.5° |
| PB | O2B | HOB2 | 108.2° | 106.9° |
| PB | O3B | PG | 132.3° | 106.8° |
| O3B | PG | O1G | 105.4° | 109.5° |
| O3B | PG | O2G | 106.2° | 109.5° |
| O3B | PG | O3G | 106.1° | 109.5° |
| O1G | PG | O2G | 112.8° | 109.4° |
| O1G | PG | O3G | 113.8° | 109.5° |
| O2G | PG | O3G | 111.8° | 109.5° |
| PG | O2G | HOG2 | 106.2° | 106.8° |
| PG | O3G | HOG3 | 106.1° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 179.8° | 179.8° |
| N1 | C2 | N3 | O2 | 179.8° | 179.5° |
| N1 | C2 | N3 | C4 | 0.3° | 0.4° |
| N1 | C2 | N3 | HN3 | 179.7° | 179.7° |
| C2 | N1 | C6 | C5 | 0.4° | 0.2° |
| C2 | N1 | C6 | H6 | 179.6° | 179.8° |
| C2 | N1 | C1' | C2' | 111.1° | 60.3° |
| C2 | N1 | C1' | O4' | 129.6° | 55.1° |
| C2 | N1 | C1' | H1' | 7.1° | 177.5° |
| C6 | N1 | C2 | N3 | 0.6° | 0.4° |
| C6 | N1 | C2 | O2 | 179.2° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.1° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | N1 | C1' | C2' | 68.6° | 120.0° |
| C6 | N1 | C1' | O4' | 50.6° | 124.6° |
| C6 | N1 | C1' | H1' | 173.1° | 2.3° |
| C1' | N1 | C2 | N3 | 179.2° | 179.8° |
| C1' | N1 | C2 | O2 | 1.0° | 0.3° |
| C1' | N1 | C6 | C5 | 179.3° | 179.9° |
| C1' | N1 | C6 | H6 | 0.7° | 0.0° |
| N1 | C1' | C2' | O4' | 119.8° | 119.0° |
| N1 | C1' | C2' | H1' | 117.7° | 122.2° |
| N1 | C1' | O4' | H1' | 117.9° | 122.3° |
| N1 | C1' | C2' | C3' | 98.8° | 142.9° |
| N1 | C1' | C2' | H2'1 | 135.9° | 24.3° |
| N1 | C1' | C2' | H2'2 | 26.4° | 98.4° |
| N1 | C1' | O4' | C4' | 123.7° | 159.3° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.8° |
| C2 | N3 | C4 | C5 | 0.2° | 0.2° |
| C2 | N3 | C4 | O4 | 179.7° | 179.7° |
| O2 | C2 | N3 | C4 | 179.5° | 180.0° |
| O2 | C2 | N3 | HN3 | 0.5° | 0.2° |
| N3 | C4 | C5 | O4 | 179.8° | 179.9° |
| N3 | C4 | C5 | C6 | 0.4° | 0.1° |
| N3 | C4 | C5 | H5 | 179.7° | 180.0° |
| HN3 | N3 | C4 | C5 | 179.8° | 180.0° |
| HN3 | N3 | C4 | O4 | 0.3° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| O4 | C4 | C5 | C6 | 179.5° | 180.0° |
| O4 | C4 | C5 | H5 | 0.5° | 0.1° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| C2' | C1' | O4' | H1' | 118.3° | 118.8° |
| C1' | C2' | C3' | H2'1 | 125.3° | 118.6° |
| C1' | C2' | C3' | H2'2 | 125.3° | 118.7° |
| C1' | C2' | H2'1 | H2'2 | 120.5° | 122.7° |
| C1' | C2' | C3' | C4' | 32.4° | 0.1° |
| C1' | C2' | C3' | O3' | 151.8° | 118.7° |
| C1' | C2' | C3' | H3' | 90.9° | 118.8° |
| C2' | C1' | O4' | C4' | 0.2° | 40.4° |
| O4' | C1' | C2' | C3' | 20.9° | 24.0° |
| O4' | C1' | C2' | H2'1 | 104.3° | 94.7° |
| O4' | C1' | C2' | H2'2 | 146.2° | 142.6° |
| C1' | O4' | C4' | C3' | 20.7° | 40.3° |
| C1' | O4' | C4' | C5' | 144.0° | 159.5° |
| C1' | O4' | C4' | H4' | 99.0° | 78.3° |
| H1' | C1' | C2' | C3' | 143.4° | 94.8° |
| H1' | C1' | C2' | H2'1 | 18.2° | 146.5° |
| H1' | C1' | C2' | H2'2 | 91.3° | 23.8° |
| H1' | C1' | O4' | C4' | 118.5° | 78.4° |
| C3' | C2' | H2'1 | H2'2 | 120.4° | 122.6° |
| C2' | C3' | C4' | O3' | 121.3° | 118.8° |
| C2' | C3' | C4' | H3' | 121.4° | 118.7° |
| C2' | C3' | O3' | H3' | 121.7° | 122.6° |
| C2' | C3' | C4' | O4' | 33.0° | 23.8° |
| C2' | C3' | C4' | C5' | 153.2° | 142.7° |
| C2' | C3' | C4' | H4' | 89.9° | 95.0° |
| C2' | C3' | O3' | HO3' | 180.0° | 63.3° |
| H2'1 | C2' | C3' | C4' | 92.9° | 118.5° |
| H2'1 | C2' | C3' | O3' | 26.5° | 122.7° |
| H2'1 | C2' | C3' | H3' | 143.8° | 0.1° |
| H2'2 | C2' | C3' | C4' | 157.7° | 118.8° |
| H2'2 | C2' | C3' | O3' | 82.9° | 0.0° |
| H2'2 | C2' | C3' | H3' | 34.4° | 122.5° |
| C4' | C3' | O3' | H3' | 123.5° | 122.6° |
| C3' | C4' | O4' | C5' | 123.3° | 119.2° |
| C3' | C4' | O4' | H4' | 119.8° | 118.6° |
| C3' | C4' | C5' | H4' | 119.7° | 122.3° |
| C4' | C3' | O3' | HO3' | 65.2° | 178.1° |
| C3' | C4' | C5' | O5' | 140.1° | 176.9° |
| C3' | C4' | C5' | H5'1 | 14.9° | 63.1° |
| C3' | C4' | C5' | H5'2 | 94.6° | 56.9° |
| O3' | C3' | C4' | O4' | 154.3° | 142.6° |
| O3' | C3' | C4' | C5' | 85.5° | 98.5° |
| O3' | C3' | C4' | H4' | 31.5° | 23.8° |
| H3' | C3' | C4' | O4' | 88.5° | 94.9° |
| H3' | C3' | C4' | C5' | 31.8° | 24.0° |
| H3' | C3' | C4' | H4' | 148.7° | 146.3° |
| H3' | C3' | O3' | HO3' | 58.3° | 59.3° |
| O4' | C4' | C5' | H4' | 122.8° | 122.3° |
| O4' | C4' | C5' | O5' | 102.4° | 61.4° |
| O4' | C4' | C5' | H5'1 | 132.4° | 178.5° |
| O4' | C4' | C5' | H5'2 | 22.9° | 58.5° |
| C4' | C5' | O5' | H5'1 | 125.2° | 120.1° |
| C4' | C5' | O5' | H5'2 | 125.3° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 117.8° | 120.0° |
| C4' | C5' | O5' | PA | 61.3° | 180.0° |
| H4' | C4' | C5' | O5' | 20.4° | 60.8° |
| H4' | C4' | C5' | H5'1 | 104.8° | 59.2° |
| H4' | C4' | C5' | H5'2 | 145.7° | 179.2° |
| O5' | C5' | H5'1 | H5'2 | 117.8° | 119.9° |
| C5' | O5' | PA | O1A | 63.9° | 60.0° |
| C5' | O5' | PA | O2A | 67.0° | 60.0° |
| C5' | O5' | PA | O3A | 178.2° | 180.0° |
| H5'1 | C5' | O5' | PA | 173.5° | 59.9° |
| H5'2 | C5' | O5' | PA | 63.9° | 60.0° |
| O5' | PA | O1A | O2A | 122.8° | 119.9° |
| O5' | PA | O1A | O3A | 114.4° | 120.0° |
| O5' | PA | O2A | O3A | 114.6° | 120.1° |
| O5' | PA | O2A | HOA2 | 179.9° | 60.0° |
| O5' | PA | O3A | PB | 45.2° | 180.0° |
| O1A | PA | O2A | O3A | 122.6° | 120.0° |
| O1A | PA | O2A | HOA2 | 57.2° | 180.0° |
| O1A | PA | O3A | PB | 69.4° | 60.0° |
| O2A | PA | O3A | PB | 159.8° | 60.0° |
| O3A | PA | O2A | HOA2 | 65.4° | 60.1° |
| PA | O3A | PB | O1B | 72.2° | 60.0° |
| PA | O3A | PB | O2B | 156.4° | 60.1° |
| PA | O3A | PB | O3B | 42.3° | 180.0° |
| O3A | PB | O1B | O2B | 124.1° | 120.0° |
| O3A | PB | O1B | O3B | 113.7° | 120.0° |
| O3A | PB | O2B | O3B | 113.9° | 120.0° |
| O3A | PB | O2B | HOB2 | 180.0° | 60.0° |
| O3A | PB | O3B | PG | 154.7° | 180.0° |
| O1B | PB | O2B | O3B | 122.5° | 120.0° |
| O1B | PB | O2B | HOB2 | 56.4° | 180.0° |
| O1B | PB | O3B | PG | 40.4° | 60.0° |
| O2B | PB | O3B | PG | 90.1° | 60.0° |
| O3B | PB | O2B | HOB2 | 66.2° | 59.9° |
| PB | O3B | PG | O1G | 156.6° | 60.0° |
| PB | O3B | PG | O2G | 36.8° | 180.0° |
| PB | O3B | PG | O3G | 82.3° | 60.0° |
| O3B | PG | O1G | O2G | 115.4° | 120.0° |
| O3B | PG | O1G | O3G | 115.8° | 120.1° |
| O3B | PG | O2G | O3G | 115.3° | 120.0° |
| O3B | PG | O2G | HOG2 | 179.9° | 180.0° |
| O3B | PG | O3G | HOG3 | 179.9° | 60.0° |
| O1G | PG | O2G | O3G | 129.8° | 120.0° |
| O1G | PG | O2G | HOG2 | 65.1° | 60.0° |
| O1G | PG | O3G | HOG3 | 64.6° | 180.0° |
| O2G | PG | O3G | HOG3 | 64.6° | 60.0° |
| O3G | PG | O2G | HOG2 | 64.7° | 60.0° |
