DUD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| N1 | C6 | sing | 1.37Å | 1.38Å | |
| N1 | C1' | sing | 1.46Å | 1.51Å | |
| C2 | N3 | sing | 1.35Å | 1.38Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| N3 | C4 | sing | 1.35Å | 1.40Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.41Å | 1.44Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C5 | C6 | doub | 1.35Å | 1.38Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1' | C2' | sing | 1.54Å | 1.55Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C2' | H2'1 | sing | 1.09Å | 1.12Å | |
| C2' | H2'2 | sing | 1.09Å | 1.12Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.45Å | 1.48Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| O5' | PA | sing | 1.61Å | 1.61Å | |
| PA | O1A | doub | 1.48Å | 1.48Å | |
| PA | O2A | sing | 1.61Å | 1.48Å | |
| PA | O3A | sing | 1.61Å | 1.62Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.58Å | |
| PB | O1B | doub | 1.48Å | 1.51Å | |
| PB | O2B | sing | 1.61Å | 1.48Å | |
| PB | O3B | sing | 1.61Å | 1.54Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O3B | HOB3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 124.0° | 120.6° |
| C2 | N1 | C1' | 114.7° | 119.6° |
| N1 | C2 | N3 | 117.4° | 120.9° |
| N1 | C2 | O2 | 121.5° | 119.6° |
| C6 | N1 | C1' | 121.3° | 119.7° |
| N1 | C6 | C5 | 119.0° | 119.7° |
| N1 | C6 | H6 | 120.6° | 120.2° |
| N1 | C1' | C2' | 109.6° | 110.4° |
| N1 | C1' | O4' | 106.5° | 110.5° |
| N1 | C1' | H1' | 110.2° | 110.3° |
| N3 | C2 | O2 | 121.1° | 119.5° |
| C2 | N3 | C4 | 121.4° | 120.2° |
| C2 | N3 | HN3 | 118.8° | 119.9° |
| C4 | N3 | HN3 | 119.9° | 119.9° |
| N3 | C4 | C5 | 119.1° | 119.4° |
| N3 | C4 | O4 | 117.4° | 120.3° |
| C5 | C4 | O4 | 123.4° | 120.3° |
| C4 | C5 | C6 | 119.0° | 119.1° |
| C4 | C5 | H5 | 122.6° | 120.5° |
| C6 | C5 | H5 | 118.3° | 120.5° |
| C5 | C6 | H6 | 120.4° | 120.1° |
| C2' | C1' | O4' | 106.2° | 104.8° |
| C2' | C1' | H1' | 110.6° | 110.4° |
| C1' | C2' | C3' | 103.2° | 104.1° |
| C1' | C2' | H2'1 | 114.5° | 110.5° |
| C1' | C2' | H2'2 | 114.6° | 110.6° |
| O4' | C1' | H1' | 113.5° | 110.4° |
| C1' | O4' | C4' | 109.5° | 105.4° |
| C3' | C2' | H2'1 | 114.6° | 110.5° |
| C3' | C2' | H2'2 | 114.6° | 110.5° |
| C2' | C3' | C4' | 102.0° | 104.1° |
| C2' | C3' | O3' | 114.5° | 110.5° |
| C2' | C3' | H3' | 110.9° | 110.5° |
| H2'1 | C2' | H2'2 | 95.9° | 110.5° |
| C4' | C3' | O3' | 108.4° | 110.6° |
| C4' | C3' | H3' | 116.7° | 110.5° |
| C3' | C4' | O4' | 102.8° | 104.7° |
| C3' | C4' | C5' | 113.1° | 110.7° |
| C3' | C4' | H4' | 111.5° | 110.2° |
| O3' | C3' | H3' | 104.7° | 110.4° |
| C3' | O3' | HO3' | 114.5° | 106.8° |
| O4' | C4' | C5' | 109.3° | 110.4° |
| O4' | C4' | H4' | 115.1° | 110.4° |
| C5' | C4' | H4' | 105.2° | 110.3° |
| C4' | C5' | O5' | 108.3° | 109.5° |
| C4' | C5' | H5'1 | 112.7° | 109.5° |
| C4' | C5' | H5'2 | 112.6° | 109.5° |
| O5' | C5' | H5'1 | 112.6° | 109.4° |
| O5' | C5' | H5'2 | 112.6° | 109.4° |
| C5' | O5' | PA | 116.9° | 106.8° |
| H5'1 | C5' | H5'2 | 97.8° | 109.5° |
| O5' | PA | O1A | 110.7° | 109.4° |
| O5' | PA | O2A | 107.8° | 109.5° |
| O5' | PA | O3A | 105.3° | 109.5° |
| O1A | PA | O2A | 113.9° | 109.5° |
| O1A | PA | O3A | 112.3° | 109.5° |
| O2A | PA | O3A | 106.3° | 109.4° |
| PA | O2A | HOA2 | 107.8° | 106.9° |
| PA | O3A | PB | 136.7° | 106.8° |
| O3A | PB | O1B | 105.2° | 109.5° |
| O3A | PB | O2B | 112.0° | 109.5° |
| O3A | PB | O3B | 101.8° | 109.5° |
| O1B | PB | O2B | 111.3° | 109.4° |
| O1B | PB | O3B | 110.7° | 109.5° |
| O2B | PB | O3B | 115.2° | 109.4° |
| PB | O2B | HOB2 | 111.9° | 106.8° |
| PB | O3B | HOB3 | 101.9° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 179.6° | 179.7° |
| N1 | C2 | N3 | O2 | 178.6° | 179.4° |
| N1 | C2 | N3 | C4 | 0.1° | 0.6° |
| N1 | C2 | N3 | HN3 | 179.9° | 179.7° |
| C2 | N1 | C6 | C5 | 1.9° | 0.3° |
| C2 | N1 | C6 | H6 | 178.1° | 179.7° |
| C2 | N1 | C1' | C2' | 108.5° | 60.4° |
| C2 | N1 | C1' | O4' | 137.0° | 55.2° |
| C2 | N1 | C1' | H1' | 13.5° | 177.4° |
| C6 | N1 | C2 | N3 | 0.5° | 0.6° |
| C6 | N1 | C2 | O2 | 179.0° | 180.0° |
| N1 | C6 | C5 | C4 | 2.8° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | H5 | 177.2° | 179.9° |
| C6 | N1 | C1' | C2' | 71.9° | 120.0° |
| C6 | N1 | C1' | O4' | 42.6° | 124.5° |
| C6 | N1 | C1' | H1' | 166.1° | 2.2° |
| C1' | N1 | C2 | N3 | 180.0° | 179.7° |
| C1' | N1 | C2 | O2 | 1.4° | 0.3° |
| C1' | N1 | C6 | C5 | 178.6° | 179.9° |
| C1' | N1 | C6 | H6 | 1.5° | 0.0° |
| N1 | C1' | C2' | O4' | 114.7° | 119.0° |
| N1 | C1' | C2' | H1' | 121.8° | 122.2° |
| N1 | C1' | O4' | H1' | 121.5° | 122.2° |
| N1 | C1' | C2' | C3' | 98.7° | 143.0° |
| N1 | C1' | C2' | H2'1 | 136.0° | 24.3° |
| N1 | C1' | C2' | H2'2 | 26.5° | 98.3° |
| N1 | C1' | O4' | C4' | 126.3° | 159.3° |
| C2 | N3 | C4 | HN3 | 179.9° | 179.6° |
| C2 | N3 | C4 | C5 | 1.2° | 0.3° |
| C2 | N3 | C4 | O4 | 178.7° | 179.7° |
| O2 | C2 | N3 | C4 | 178.7° | 180.0° |
| O2 | C2 | N3 | HN3 | 1.3° | 0.4° |
| N3 | C4 | C5 | O4 | 177.4° | 180.0° |
| N3 | C4 | C5 | C6 | 2.5° | 0.0° |
| N3 | C4 | C5 | H5 | 177.5° | 179.9° |
| HN3 | N3 | C4 | C5 | 178.9° | 180.0° |
| HN3 | N3 | C4 | O4 | 1.4° | 0.1° |
| C4 | C5 | C6 | H5 | 179.9° | 179.9° |
| C4 | C5 | C6 | H6 | 177.1° | 180.0° |
| O4 | C4 | C5 | C6 | 179.9° | 180.0° |
| O4 | C4 | C5 | H5 | 0.2° | 0.1° |
| H5 | C5 | C6 | H6 | 2.8° | 0.1° |
| C2' | C1' | O4' | H1' | 121.7° | 118.8° |
| C1' | C2' | C3' | H2'1 | 125.2° | 118.7° |
| C1' | C2' | C3' | H2'2 | 125.2° | 118.8° |
| C1' | C2' | H2'1 | H2'2 | 120.4° | 122.7° |
| C1' | C2' | C3' | C4' | 34.2° | 0.1° |
| C1' | C2' | C3' | O3' | 151.1° | 118.7° |
| C1' | C2' | C3' | H3' | 90.7° | 118.7° |
| C2' | C1' | O4' | C4' | 9.5° | 40.4° |
| O4' | C1' | C2' | C3' | 16.0° | 24.0° |
| O4' | C1' | C2' | H2'1 | 109.3° | 94.7° |
| O4' | C1' | C2' | H2'2 | 141.2° | 142.6° |
| C1' | O4' | C4' | C3' | 31.5° | 40.3° |
| C1' | O4' | C4' | C5' | 151.9° | 159.5° |
| C1' | O4' | C4' | H4' | 89.9° | 78.4° |
| H1' | C1' | C2' | C3' | 139.5° | 94.9° |
| H1' | C1' | C2' | H2'1 | 14.2° | 146.5° |
| H1' | C1' | C2' | H2'2 | 95.2° | 23.8° |
| H1' | C1' | O4' | C4' | 112.2° | 78.4° |
| C3' | C2' | H2'1 | H2'2 | 120.5° | 122.6° |
| C2' | C3' | C4' | O3' | 121.2° | 118.7° |
| C2' | C3' | C4' | H3' | 121.0° | 118.7° |
| C2' | C3' | O3' | H3' | 121.7° | 122.6° |
| C2' | C3' | C4' | O4' | 40.0° | 23.8° |
| C2' | C3' | C4' | C5' | 157.8° | 142.7° |
| C2' | C3' | C4' | H4' | 83.8° | 95.0° |
| C2' | C3' | O3' | HO3' | 180.0° | 63.3° |
| H2'1 | C2' | C3' | C4' | 91.0° | 118.6° |
| H2'1 | C2' | C3' | O3' | 25.8° | 122.7° |
| H2'1 | C2' | C3' | H3' | 144.1° | 0.1° |
| H2'2 | C2' | C3' | C4' | 159.5° | 118.8° |
| H2'2 | C2' | C3' | O3' | 83.7° | 0.1° |
| H2'2 | C2' | C3' | H3' | 34.6° | 122.5° |
| C4' | C3' | O3' | H3' | 125.2° | 122.6° |
| C3' | C4' | O4' | C5' | 120.4° | 119.2° |
| C3' | C4' | O4' | H4' | 121.5° | 118.6° |
| C3' | C4' | C5' | H4' | 122.0° | 122.3° |
| C4' | C3' | O3' | HO3' | 66.9° | 178.0° |
| C3' | C4' | C5' | O5' | 174.4° | 176.9° |
| C3' | C4' | C5' | H5'1 | 60.4° | 63.1° |
| C3' | C4' | C5' | H5'2 | 49.2° | 56.9° |
| O3' | C3' | C4' | O4' | 161.2° | 142.5° |
| O3' | C3' | C4' | C5' | 81.0° | 98.5° |
| O3' | C3' | C4' | H4' | 37.3° | 23.8° |
| H3' | C3' | C4' | O4' | 80.9° | 94.9° |
| H3' | C3' | C4' | C5' | 36.8° | 24.0° |
| H3' | C3' | C4' | H4' | 155.2° | 146.3° |
| H3' | C3' | O3' | HO3' | 58.4° | 59.4° |
| O4' | C4' | C5' | H4' | 124.2° | 122.2° |
| O4' | C4' | C5' | O5' | 60.5° | 61.4° |
| O4' | C4' | C5' | H5'1 | 174.2° | 178.6° |
| O4' | C4' | C5' | H5'2 | 64.7° | 58.6° |
| C4' | C5' | O5' | H5'1 | 125.3° | 120.0° |
| C4' | C5' | O5' | H5'2 | 125.2° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 118.6° | 120.0° |
| C4' | C5' | O5' | PA | 158.4° | 180.0° |
| H4' | C4' | C5' | O5' | 63.7° | 60.8° |
| H4' | C4' | C5' | H5'1 | 61.6° | 59.2° |
| H4' | C4' | C5' | H5'2 | 171.1° | 179.2° |
| O5' | C5' | H5'1 | H5'2 | 118.5° | 119.9° |
| C5' | O5' | PA | O1A | 34.5° | 60.0° |
| C5' | O5' | PA | O2A | 159.8° | 60.0° |
| C5' | O5' | PA | O3A | 87.1° | 180.0° |
| H5'1 | C5' | O5' | PA | 33.1° | 60.0° |
| H5'2 | C5' | O5' | PA | 76.4° | 60.0° |
| O5' | PA | O1A | O2A | 121.7° | 120.0° |
| O5' | PA | O1A | O3A | 117.4° | 120.0° |
| O5' | PA | O2A | O3A | 112.5° | 120.0° |
| O5' | PA | O2A | HOA2 | 179.9° | 60.0° |
| O5' | PA | O3A | PB | 105.9° | 180.0° |
| O1A | PA | O2A | O3A | 124.2° | 120.0° |
| O1A | PA | O2A | HOA2 | 56.8° | 180.0° |
| O1A | PA | O3A | PB | 14.7° | 60.0° |
| O2A | PA | O3A | PB | 139.9° | 60.0° |
| O3A | PA | O2A | HOA2 | 67.4° | 60.0° |
| PA | O3A | PB | O1B | 78.7° | 60.0° |
| PA | O3A | PB | O2B | 42.3° | 180.0° |
| PA | O3A | PB | O3B | 165.8° | 60.0° |
| O3A | PB | O1B | O2B | 121.4° | 120.0° |
| O3A | PB | O1B | O3B | 109.2° | 120.0° |
| O3A | PB | O2B | O3B | 115.6° | 120.0° |
| O3A | PB | O2B | HOB2 | 179.9° | 180.0° |
| O3A | PB | O3B | HOB3 | 180.0° | 60.0° |
| O1B | PB | O2B | O3B | 127.0° | 120.0° |
| O1B | PB | O2B | HOB2 | 62.7° | 60.0° |
| O1B | PB | O3B | HOB3 | 68.6° | 180.0° |
| O2B | PB | O3B | HOB3 | 58.7° | 60.1° |
| O3B | PB | O2B | HOB2 | 64.3° | 60.0° |
