DU3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | sing | 1.35Å | 1.41Å | |
| C6 | N1 | sing | 1.37Å | 1.40Å | |
| N1 | C1' | sing | 1.47Å | 1.49Å | |
| N3 | C2 | sing | 1.35Å | 1.39Å | |
| O2 | C2 | doub | 1.22Å | 1.23Å | |
| C4 | N3 | sing | 1.35Å | 1.41Å | |
| O4 | C4 | doub | 1.22Å | 1.25Å | |
| C4 | C5 | sing | 1.42Å | 1.40Å | |
| C5 | C6 | doub | 1.35Å | 1.40Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O4' | C1' | sing | 1.44Å | 1.45Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.51Å | 1.54Å | |
| C24 | C17 | sing | 1.51Å | 1.54Å | |
| C17 | N5' | sing | 1.47Å | 1.48Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.56Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| N5' | C5' | sing | 1.47Å | 1.48Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| N5' | HN5' | sing | 1.01Å | 1.00Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 121.6° | 120.6° |
| C2 | N1 | C1' | 118.0° | 119.7° |
| N1 | C2 | N3 | 119.0° | 120.9° |
| N1 | C2 | O2 | 122.9° | 119.5° |
| C6 | N1 | C1' | 120.4° | 119.7° |
| N1 | C6 | C5 | 119.5° | 119.7° |
| N1 | C6 | H6 | 120.3° | 120.1° |
| N1 | C1' | O4' | 102.4° | 109.8° |
| N1 | C1' | C2' | 114.1° | 109.9° |
| N1 | C1' | H1' | 111.0° | 109.9° |
| N3 | C2 | O2 | 118.1° | 119.6° |
| C2 | N3 | C4 | 119.6° | 120.3° |
| C2 | N3 | HN3 | 120.2° | 119.9° |
| N3 | C4 | O4 | 117.8° | 120.3° |
| N3 | C4 | C5 | 120.9° | 119.4° |
| C4 | N3 | HN3 | 120.2° | 119.9° |
| O4 | C4 | C5 | 121.3° | 120.3° |
| C4 | C5 | C6 | 119.5° | 119.1° |
| C4 | C5 | H5 | 120.3° | 120.4° |
| C6 | C5 | H5 | 120.3° | 120.5° |
| C5 | C6 | H6 | 120.3° | 120.1° |
| O4' | C1' | C2' | 108.9° | 107.3° |
| O4' | C1' | H1' | 116.0° | 110.0° |
| C1' | O4' | C4' | 108.4° | 106.9° |
| C2' | C1' | H1' | 104.8° | 109.9° |
| C1' | C2' | C3' | 102.8° | 104.2° |
| C1' | C2' | H2' | 111.8° | 110.5° |
| C1' | C2' | H2'A | 111.8° | 110.5° |
| C18 | C17 | C24 | 111.7° | 109.4° |
| C18 | C17 | N5' | 111.8° | 109.5° |
| C18 | C17 | H17 | 107.7° | 109.5° |
| C17 | C18 | C19 | 118.1° | 120.0° |
| C17 | C18 | C23 | 121.9° | 119.9° |
| C24 | C17 | N5' | 113.3° | 109.5° |
| C24 | C17 | H17 | 106.0° | 109.4° |
| C17 | C24 | C25 | 116.6° | 120.0° |
| C17 | C24 | C29 | 123.7° | 120.0° |
| N5' | C17 | H17 | 105.8° | 109.5° |
| C17 | N5' | C5' | 114.0° | 111.0° |
| C17 | N5' | HN5' | 108.0° | 111.0° |
| C19 | C18 | C23 | 120.0° | 120.0° |
| C18 | C19 | C20 | 119.9° | 120.0° |
| C18 | C19 | H19 | 120.1° | 120.0° |
| C18 | C23 | C22 | 119.8° | 120.0° |
| C18 | C23 | H23 | 120.1° | 120.0° |
| C20 | C19 | H19 | 120.1° | 120.0° |
| C19 | C20 | C21 | 120.3° | 120.0° |
| C19 | C20 | H20 | 119.9° | 120.0° |
| C3' | C2' | H2' | 111.8° | 110.5° |
| C3' | C2' | H2'A | 111.8° | 110.6° |
| C2' | C3' | C4' | 104.1° | 102.1° |
| C2' | C3' | O3' | 107.6° | 110.9° |
| C2' | C3' | H3' | 113.9° | 110.9° |
| H2' | C2' | H2'A | 107.1° | 110.5° |
| C21 | C20 | H20 | 119.9° | 120.0° |
| C20 | C21 | C22 | 119.9° | 120.0° |
| C20 | C21 | H21 | 120.1° | 120.0° |
| C22 | C21 | H21 | 120.0° | 120.0° |
| C21 | C22 | C23 | 120.2° | 120.0° |
| C21 | C22 | H22 | 119.9° | 120.0° |
| C23 | C22 | H22 | 119.9° | 120.0° |
| C22 | C23 | H23 | 120.1° | 120.0° |
| C25 | C24 | C29 | 119.7° | 120.0° |
| C24 | C25 | C26 | 119.6° | 120.0° |
| C24 | C25 | H25 | 120.2° | 120.0° |
| C24 | C29 | C28 | 120.2° | 120.0° |
| C24 | C29 | H29 | 119.9° | 120.0° |
| C26 | C25 | H25 | 120.2° | 120.0° |
| C25 | C26 | C27 | 121.1° | 120.0° |
| C25 | C26 | H26 | 119.5° | 120.0° |
| C27 | C26 | H26 | 119.5° | 120.0° |
| C26 | C27 | C28 | 119.5° | 120.0° |
| C26 | C27 | H27 | 120.3° | 120.0° |
| C28 | C27 | H27 | 120.2° | 120.0° |
| C27 | C28 | C29 | 119.9° | 120.0° |
| C27 | C28 | H28 | 120.0° | 120.0° |
| C29 | C28 | H28 | 120.1° | 120.0° |
| C28 | C29 | H29 | 119.9° | 120.0° |
| C4' | C3' | O3' | 109.2° | 110.9° |
| C4' | C3' | H3' | 112.5° | 110.9° |
| C3' | C4' | C5' | 114.9° | 110.6° |
| C3' | C4' | O4' | 107.3° | 103.5° |
| C3' | C4' | H4' | 106.7° | 110.6° |
| O3' | C3' | H3' | 109.2° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C5' | C4' | O4' | 107.6° | 110.7° |
| C5' | C4' | H4' | 106.5° | 110.6° |
| C4' | C5' | N5' | 106.9° | 109.4° |
| C4' | C5' | H5' | 110.4° | 109.4° |
| C4' | C5' | H5'A | 110.3° | 109.5° |
| O4' | C4' | H4' | 114.1° | 110.6° |
| N5' | C5' | H5' | 110.3° | 109.5° |
| N5' | C5' | H5'A | 110.3° | 109.5° |
| C5' | N5' | HN5' | 108.0° | 111.0° |
| H5' | C5' | H5'A | 108.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 177.7° | 179.8° |
| N1 | C2 | N3 | O2 | 179.5° | 180.0° |
| N1 | C2 | N3 | C4 | 1.2° | 0.0° |
| C2 | N1 | C6 | C5 | 1.3° | 0.5° |
| C2 | N1 | C6 | H6 | 178.7° | 180.0° |
| C2 | N1 | C1' | O4' | 79.2° | 127.2° |
| C2 | N1 | C1' | C2' | 163.3° | 115.0° |
| C2 | N1 | C1' | H1' | 45.2° | 6.1° |
| N1 | C2 | N3 | HN3 | 178.8° | 180.0° |
| C6 | N1 | C2 | N3 | 1.3° | 0.3° |
| C6 | N1 | C2 | O2 | 178.1° | 179.7° |
| N1 | C6 | C5 | C4 | 1.1° | 0.5° |
| N1 | C6 | C5 | H6 | 180.0° | 179.5° |
| N1 | C6 | C5 | H5 | 178.8° | 179.7° |
| C6 | N1 | C1' | O4' | 98.6° | 52.6° |
| C6 | N1 | C1' | C2' | 18.9° | 65.2° |
| C6 | N1 | C1' | H1' | 137.0° | 173.7° |
| C1' | N1 | C2 | N3 | 179.1° | 179.9° |
| C1' | N1 | C2 | O2 | 0.4° | 0.1° |
| C1' | N1 | C6 | C5 | 179.0° | 179.7° |
| C1' | N1 | C6 | H6 | 1.0° | 0.2° |
| N1 | C1' | O4' | C2' | 121.1° | 119.5° |
| N1 | C1' | O4' | H1' | 121.0° | 121.0° |
| N1 | C1' | C2' | H1' | 121.6° | 121.0° |
| N1 | C1' | C2' | C3' | 92.2° | 121.4° |
| N1 | C1' | C2' | H2' | 147.8° | 119.9° |
| N1 | C1' | C2' | H2'A | 27.9° | 2.7° |
| N1 | C1' | O4' | C4' | 115.9° | 146.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 179.3° | 180.0° |
| C2 | N3 | C4 | C5 | 1.1° | 0.0° |
| O2 | C2 | N3 | C4 | 178.3° | 180.0° |
| O2 | C2 | N3 | HN3 | 1.7° | 0.0° |
| N3 | C4 | O4 | C5 | 179.6° | 180.0° |
| N3 | C4 | C5 | C6 | 1.1° | 0.3° |
| N3 | C4 | C5 | H5 | 178.9° | 180.0° |
| O4 | C4 | C5 | C6 | 179.3° | 179.7° |
| O4 | C4 | C5 | H5 | 0.7° | 0.1° |
| O4 | C4 | N3 | HN3 | 0.7° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C4 | C5 | C6 | H6 | 178.8° | 180.0° |
| C5 | C4 | N3 | HN3 | 178.9° | 180.0° |
| H5 | C5 | C6 | H6 | 1.2° | 0.2° |
| O4' | C1' | C2' | H1' | 124.7° | 119.6° |
| O4' | C1' | C2' | C3' | 21.5° | 2.0° |
| O4' | C1' | C2' | H2' | 98.5° | 120.7° |
| O4' | C1' | C2' | H2'A | 141.5° | 116.7° |
| C1' | O4' | C4' | C3' | 13.5° | 40.1° |
| C1' | O4' | C4' | C5' | 137.6° | 158.6° |
| C1' | O4' | C4' | H4' | 104.5° | 78.4° |
| C1' | C2' | C3' | H2' | 120.0° | 118.7° |
| C1' | C2' | C3' | H2'A | 120.0° | 118.7° |
| C1' | C2' | H2' | H2'A | 122.7° | 122.6° |
| C1' | C2' | C3' | C4' | 28.5° | 20.9° |
| C1' | C2' | C3' | O3' | 144.4° | 139.1° |
| C1' | C2' | C3' | H3' | 94.4° | 97.4° |
| C2' | C1' | O4' | C4' | 5.3° | 26.5° |
| H1' | C1' | C2' | C3' | 146.2° | 117.5° |
| H1' | C1' | C2' | H2' | 26.2° | 1.1° |
| H1' | C1' | C2' | H2'A | 93.7° | 123.7° |
| H1' | C1' | O4' | C4' | 123.1° | 93.0° |
| C18 | C17 | C24 | N5' | 127.4° | 120.0° |
| C18 | C17 | C24 | H17 | 117.0° | 120.0° |
| C18 | C17 | N5' | H17 | 117.0° | 120.0° |
| C17 | C18 | C19 | C23 | 179.5° | 179.6° |
| C17 | C18 | C19 | C20 | 179.8° | 180.0° |
| C17 | C18 | C19 | H19 | 0.2° | 0.1° |
| C17 | C18 | C23 | C22 | 179.6° | 179.7° |
| C17 | C18 | C23 | H23 | 0.4° | 0.3° |
| C18 | C17 | C24 | C25 | 86.8° | 80.3° |
| C18 | C17 | C24 | C29 | 95.5° | 100.0° |
| C18 | C17 | N5' | C5' | 163.6° | 85.0° |
| C18 | C17 | N5' | HN5' | 43.6° | 151.1° |
| C24 | C17 | N5' | H17 | 115.7° | 120.0° |
| C24 | C17 | C18 | C19 | 136.9° | 100.0° |
| C24 | C17 | C18 | C23 | 42.5° | 80.3° |
| C17 | C24 | C25 | C29 | 177.8° | 179.7° |
| C17 | C24 | C25 | C26 | 179.2° | 180.0° |
| C17 | C24 | C25 | H25 | 0.8° | 0.0° |
| C17 | C24 | C29 | C28 | 178.9° | 179.8° |
| C17 | C24 | C29 | H29 | 1.1° | 0.0° |
| C24 | C17 | N5' | C5' | 69.0° | 155.0° |
| C24 | C17 | N5' | HN5' | 171.0° | 31.1° |
| N5' | C17 | C18 | C19 | 94.8° | 140.0° |
| N5' | C17 | C18 | C23 | 85.7° | 39.7° |
| N5' | C17 | C24 | C25 | 145.8° | 39.7° |
| N5' | C17 | C24 | C29 | 31.9° | 140.0° |
| C17 | N5' | C5' | C4' | 156.9° | 180.0° |
| C17 | N5' | C5' | HN5' | 120.0° | 123.9° |
| C17 | N5' | C5' | H5' | 83.1° | 60.0° |
| C17 | N5' | C5' | H5'A | 36.9° | 60.0° |
| H17 | C17 | C18 | C19 | 21.0° | 19.9° |
| H17 | C17 | C18 | C23 | 158.5° | 159.7° |
| H17 | C17 | C24 | C25 | 30.2° | 159.7° |
| H17 | C17 | C24 | C29 | 147.5° | 20.0° |
| H17 | C17 | N5' | C5' | 46.6° | 35.0° |
| H17 | C17 | N5' | HN5' | 73.3° | 88.9° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| C19 | C18 | C23 | C22 | 0.2° | 0.7° |
| C19 | C18 | C23 | H23 | 179.8° | 180.0° |
| C23 | C18 | C19 | C20 | 0.3° | 0.4° |
| C23 | C18 | C19 | H19 | 179.7° | 179.7° |
| C18 | C23 | C22 | C21 | 0.1° | 0.6° |
| C18 | C23 | C22 | H23 | 180.0° | 179.4° |
| C18 | C23 | C22 | H22 | 179.9° | 179.7° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.2° | 0.0° |
| C19 | C20 | C21 | H21 | 179.8° | 179.9° |
| H19 | C19 | C20 | C21 | 179.9° | 179.9° |
| H19 | C19 | C20 | H20 | 0.1° | 0.1° |
| C3' | C2' | H2' | H2'A | 122.7° | 122.7° |
| C2' | C3' | C4' | O3' | 114.7° | 118.2° |
| C2' | C3' | C4' | H3' | 123.8° | 118.2° |
| C2' | C3' | O3' | H3' | 124.2° | 123.6° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
| C2' | C3' | C4' | C5' | 146.3° | 155.7° |
| C2' | C3' | C4' | O4' | 26.8° | 37.1° |
| C2' | C3' | C4' | H4' | 96.0° | 81.4° |
| H2' | C2' | C3' | C4' | 91.5° | 97.8° |
| H2' | C2' | C3' | O3' | 24.4° | 20.4° |
| H2' | C2' | C3' | H3' | 145.7° | 144.0° |
| H2'A | C2' | C3' | C4' | 148.5° | 139.6° |
| H2'A | C2' | C3' | O3' | 95.6° | 102.2° |
| H2'A | C2' | C3' | H3' | 25.6° | 21.3° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.3° | 0.3° |
| C20 | C21 | C22 | H22 | 179.7° | 180.0° |
| H20 | C20 | C21 | C22 | 179.8° | 180.0° |
| H20 | C20 | C21 | H21 | 0.2° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 179.7° |
| C21 | C22 | C23 | H23 | 179.8° | 180.0° |
| H21 | C21 | C22 | C23 | 179.7° | 179.8° |
| H21 | C21 | C22 | H22 | 0.3° | 0.1° |
| H22 | C22 | C23 | H23 | 0.1° | 0.3° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 2.0° | 0.1° |
| C24 | C25 | C26 | H26 | 178.0° | 179.9° |
| C25 | C24 | C29 | C28 | 1.3° | 0.5° |
| C25 | C24 | C29 | H29 | 178.7° | 179.7° |
| C29 | C24 | C25 | C26 | 1.4° | 0.3° |
| C29 | C24 | C25 | H25 | 178.6° | 179.8° |
| C24 | C29 | C28 | C27 | 1.7° | 0.4° |
| C24 | C29 | C28 | H29 | 180.0° | 179.8° |
| C24 | C29 | C28 | H28 | 178.3° | 179.7° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 2.4° | 0.0° |
| C25 | C26 | C27 | H27 | 177.6° | 179.9° |
| H25 | C25 | C26 | C27 | 178.0° | 180.0° |
| H25 | C25 | C26 | H26 | 2.0° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 2.2° | 0.2° |
| C26 | C27 | C28 | H28 | 177.8° | 179.9° |
| H26 | C26 | C27 | C28 | 177.6° | 180.0° |
| H26 | C26 | C27 | H27 | 2.4° | 0.1° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | H29 | 178.4° | 179.7° |
| H27 | C27 | C28 | C29 | 177.8° | 179.9° |
| H27 | C27 | C28 | H28 | 2.2° | 0.0° |
| H28 | C28 | C29 | H29 | 1.7° | 0.1° |
| C4' | C3' | O3' | H3' | 123.4° | 123.7° |
| C4' | C3' | O3' | HO3' | 67.5° | 174.2° |
| C3' | C4' | C5' | O4' | 119.4° | 114.1° |
| C3' | C4' | C5' | H4' | 117.9° | 123.0° |
| C3' | C4' | O4' | H4' | 118.0° | 118.5° |
| C3' | C4' | C5' | N5' | 175.2° | 175.0° |
| C3' | C4' | C5' | H5' | 64.8° | 55.0° |
| C3' | C4' | C5' | H5'A | 55.2° | 65.0° |
| O3' | C3' | C4' | C5' | 99.0° | 86.1° |
| O3' | C3' | C4' | O4' | 141.5° | 155.2° |
| O3' | C3' | C4' | H4' | 18.7° | 36.8° |
| H3' | C3' | O3' | HO3' | 55.8° | 62.2° |
| H3' | C3' | C4' | C5' | 22.5° | 37.4° |
| H3' | C3' | C4' | O4' | 97.1° | 81.2° |
| H3' | C3' | C4' | H4' | 140.2° | 160.3° |
| C5' | C4' | O4' | H4' | 117.9° | 122.9° |
| C4' | C5' | N5' | H5' | 120.0° | 120.0° |
| C4' | C5' | N5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 121.1° | 120.0° |
| C4' | C5' | N5' | HN5' | 83.1° | 56.0° |
| O4' | C4' | C5' | N5' | 55.8° | 70.9° |
| O4' | C4' | C5' | H5' | 175.8° | 169.2° |
| O4' | C4' | C5' | H5'A | 64.2° | 49.1° |
| H4' | C4' | C5' | N5' | 66.9° | 52.1° |
| H4' | C4' | C5' | H5' | 53.1° | 67.9° |
| H4' | C4' | C5' | H5'A | 173.1° | 172.1° |
| N5' | C5' | H5' | H5'A | 121.0° | 120.0° |
| H5' | C5' | N5' | HN5' | 36.9° | 63.9° |
| H5'A | C5' | N5' | HN5' | 156.9° | 176.1° |
