DNB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2' | C2' | sing | 1.43Å | 1.47Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C1' | N4' | sing | 1.49Å | 1.45Å | |
| C1' | C1 | sing | 1.51Å | 1.49Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N4' | C4' | sing | 1.48Å | 1.45Å | |
| N4' | HN4' | sing | 1.01Å | 1.00Å | |
| C4' | C5' | sing | 1.53Å | 1.56Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.45Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å | |
| C1 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | N3 | sing | 1.40Å | 1.36Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N3 | HN3A | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | N4 | sing | 1.40Å | 1.47Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N4 | HN4A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| O2' | C2' | C3' | 109.2° | 110.7° |
| O2' | C2' | C1' | 112.3° | 110.7° |
| O2' | C2' | H2' | 106.5° | 110.6° |
| C3' | C2' | C1' | 105.5° | 102.9° |
| C3' | C2' | H2' | 113.2° | 110.7° |
| C2' | C3' | O3' | 109.7° | 110.3° |
| C2' | C3' | C4' | 108.4° | 105.2° |
| C2' | C3' | H3' | 110.1° | 110.3° |
| C1' | C2' | H2' | 110.2° | 110.9° |
| C2' | C1' | N4' | 103.7° | 103.2° |
| C2' | C1' | C1 | 116.9° | 110.7° |
| C2' | C1' | H1' | 106.8° | 110.7° |
| O3' | C3' | C4' | 109.5° | 110.3° |
| O3' | C3' | H3' | 108.9° | 110.3° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C4' | C3' | H3' | 110.3° | 110.4° |
| C3' | C4' | N4' | 100.3° | 107.0° |
| C3' | C4' | C5' | 115.0° | 109.9° |
| C3' | C4' | H4' | 113.1° | 109.9° |
| N4' | C1' | C1 | 103.5° | 110.7° |
| N4' | C1' | H1' | 119.5° | 110.7° |
| C1' | N4' | C4' | 114.4° | 105.8° |
| C1' | N4' | HN4' | 107.9° | 111.0° |
| C1 | C1' | H1' | 107.0° | 110.7° |
| C1' | C1 | C6 | 123.2° | 119.9° |
| C1' | C1 | C2 | 117.1° | 119.9° |
| C4' | N4' | HN4' | 107.8° | 111.0° |
| N4' | C4' | C5' | 112.6° | 109.9° |
| N4' | C4' | H4' | 115.6° | 109.9° |
| C5' | C4' | H4' | 100.9° | 110.1° |
| C4' | C5' | O5' | 111.1° | 109.5° |
| C4' | C5' | H5' | 108.9° | 109.4° |
| C4' | C5' | H5'A | 108.6° | 109.5° |
| O5' | C5' | H5' | 108.9° | 109.5° |
| O5' | C5' | H5'A | 108.6° | 109.5° |
| C5' | O5' | HO5' | 109.5° | 114.0° |
| H5' | C5' | H5'A | 110.7° | 109.5° |
| C6 | C1 | C2 | 119.7° | 120.2° |
| C1 | C6 | C5 | 120.5° | 120.2° |
| C1 | C6 | H6 | 119.8° | 119.9° |
| C1 | C2 | C3 | 119.7° | 120.0° |
| C1 | C2 | H2 | 120.1° | 120.0° |
| C5 | C6 | H6 | 119.8° | 119.9° |
| C6 | C5 | C4 | 119.6° | 120.0° |
| C6 | C5 | H5 | 120.2° | 120.0° |
| C4 | C5 | H5 | 120.2° | 120.0° |
| C5 | C4 | C3 | 119.6° | 119.8° |
| C5 | C4 | N4 | 133.7° | 120.1° |
| C4 | C3 | N3 | 120.1° | 120.1° |
| C4 | C3 | C2 | 120.9° | 119.8° |
| C3 | C4 | N4 | 103.9° | 120.1° |
| N3 | C3 | C2 | 119.0° | 120.1° |
| C3 | N3 | HN3 | 109.5° | 120.0° |
| C3 | N3 | HN3A | 109.5° | 120.0° |
| C3 | C2 | H2 | 120.1° | 120.0° |
| HN3 | N3 | HN3A | 109.4° | 120.0° |
| C4 | N4 | HN4 | 109.5° | 120.0° |
| C4 | N4 | HN4A | 109.5° | 120.0° |
| HN4 | N4 | HN4A | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2' | C2' | C3' | C1' | 120.9° | 118.4° |
| O2' | C2' | C3' | H2' | 118.5° | 123.1° |
| O2' | C2' | C1' | H2' | 118.6° | 123.2° |
| O2' | C2' | C3' | O3' | 13.1° | 21.4° |
| O2' | C2' | C3' | C4' | 132.6° | 140.3° |
| O2' | C2' | C3' | H3' | 106.7° | 100.7° |
| O2' | C2' | C1' | N4' | 113.6° | 155.8° |
| O2' | C2' | C1' | C1 | 133.3° | 85.8° |
| O2' | C2' | C1' | H1' | 13.5° | 37.3° |
| HO2' | O2' | C2' | C3' | 90.8° | 61.4° |
| HO2' | O2' | C2' | C1' | 152.6° | 175.0° |
| HO2' | O2' | C2' | H2' | 31.9° | 61.7° |
| C3' | C2' | C1' | H2' | 122.6° | 118.4° |
| C2' | C3' | O3' | C4' | 118.8° | 115.7° |
| C2' | C3' | O3' | H3' | 120.5° | 122.1° |
| C2' | C3' | C4' | H3' | 120.5° | 118.9° |
| C2' | C3' | O3' | HO3' | 86.7° | 61.5° |
| C3' | C2' | C1' | N4' | 5.3° | 37.4° |
| C3' | C2' | C1' | C1 | 107.9° | 155.9° |
| C3' | C2' | C1' | H1' | 132.4° | 81.0° |
| C2' | C3' | C4' | N4' | 23.6° | 1.2° |
| C2' | C3' | C4' | C5' | 97.5° | 120.5° |
| C2' | C3' | C4' | H4' | 147.2° | 118.1° |
| C1' | C2' | C3' | O3' | 107.9° | 97.0° |
| C1' | C2' | C3' | C4' | 11.7° | 22.0° |
| C1' | C2' | C3' | H3' | 132.3° | 140.9° |
| C2' | C1' | N4' | C1 | 122.5° | 118.5° |
| C2' | C1' | N4' | H1' | 118.7° | 118.4° |
| C2' | C1' | C1 | H1' | 119.6° | 123.1° |
| C2' | C1' | N4' | C4' | 22.6° | 39.2° |
| C2' | C1' | N4' | HN4' | 142.6° | 81.3° |
| C2' | C1' | C1 | C6 | 9.1° | 80.0° |
| C2' | C1' | C1 | C2 | 169.7° | 99.7° |
| H2' | C2' | C3' | O3' | 131.6° | 144.5° |
| H2' | C2' | C3' | C4' | 108.9° | 96.6° |
| H2' | C2' | C3' | H3' | 11.8° | 22.4° |
| H2' | C2' | C1' | N4' | 127.8° | 81.0° |
| H2' | C2' | C1' | C1 | 14.7° | 37.5° |
| H2' | C2' | C1' | H1' | 105.0° | 160.6° |
| O3' | C3' | C4' | H3' | 119.8° | 122.2° |
| O3' | C3' | C4' | N4' | 96.2° | 120.1° |
| O3' | C3' | C4' | C5' | 142.8° | 120.5° |
| O3' | C3' | C4' | H4' | 27.5° | 0.8° |
| C4' | C3' | O3' | HO3' | 154.5° | 177.2° |
| C3' | C4' | N4' | C1' | 29.1° | 25.3° |
| C3' | C4' | N4' | C5' | 122.8° | 119.3° |
| C3' | C4' | N4' | H4' | 122.0° | 119.3° |
| C3' | C4' | N4' | HN4' | 149.1° | 95.2° |
| C3' | C4' | C5' | H4' | 122.1° | 121.2° |
| C3' | C4' | C5' | O5' | 163.0° | 175.0° |
| C3' | C4' | C5' | H5' | 77.0° | 55.1° |
| C3' | C4' | C5' | H5'A | 43.6° | 65.0° |
| H3' | C3' | O3' | HO3' | 33.8° | 60.6° |
| H3' | C3' | C4' | N4' | 144.1° | 117.7° |
| H3' | C3' | C4' | C5' | 23.0° | 1.6° |
| H3' | C3' | C4' | H4' | 92.3° | 123.0° |
| N4' | C1' | C1 | H1' | 127.1° | 123.1° |
| C1' | N4' | C4' | HN4' | 120.0° | 120.5° |
| C1' | N4' | C4' | C5' | 93.7° | 144.7° |
| C1' | N4' | C4' | H4' | 151.0° | 94.0° |
| N4' | C1' | C1 | C6 | 122.4° | 33.9° |
| N4' | C1' | C1 | C2 | 56.4° | 146.5° |
| C1 | C1' | N4' | C4' | 99.9° | 157.7° |
| C1 | C1' | N4' | HN4' | 20.0° | 37.1° |
| C1' | C1 | C6 | C2 | 178.8° | 179.7° |
| C1' | C1 | C6 | C5 | 179.5° | 180.0° |
| C1' | C1 | C6 | H6 | 0.5° | 0.2° |
| C1' | C1 | C2 | C3 | 179.0° | 179.8° |
| C1' | C1 | C2 | H2 | 1.0° | 0.0° |
| H1' | C1' | N4' | C4' | 141.3° | 79.2° |
| H1' | C1' | N4' | HN4' | 98.8° | 160.2° |
| H1' | C1' | C1 | C6 | 110.5° | 157.0° |
| H1' | C1' | C1 | C2 | 70.7° | 23.4° |
| N4' | C4' | C5' | H4' | 123.8° | 121.2° |
| N4' | C4' | C5' | O5' | 48.9° | 67.4° |
| N4' | C4' | C5' | H5' | 168.9° | 172.6° |
| N4' | C4' | C5' | H5'A | 70.4° | 52.6° |
| HN4' | N4' | C4' | C5' | 26.3° | 24.2° |
| HN4' | N4' | C4' | H4' | 89.0° | 145.5° |
| C4' | C5' | O5' | H5' | 120.0° | 119.9° |
| C4' | C5' | O5' | H5'A | 119.3° | 120.0° |
| C4' | C5' | H5' | H5'A | 119.3° | 120.1° |
| C4' | C5' | O5' | HO5' | 7.7° | 180.0° |
| H4' | C4' | C5' | O5' | 74.9° | 53.8° |
| H4' | C4' | C5' | H5' | 45.1° | 66.2° |
| H4' | C4' | C5' | H5'A | 165.8° | 173.8° |
| O5' | C5' | H5' | H5'A | 119.3° | 120.0° |
| H5' | C5' | O5' | HO5' | 112.3° | 60.0° |
| H5'A | C5' | O5' | HO5' | 127.0° | 60.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.6° | 0.1° |
| C1 | C6 | C5 | H5 | 179.3° | 179.9° |
| C6 | C1 | C2 | C3 | 0.2° | 0.5° |
| C6 | C1 | C2 | H2 | 179.8° | 179.7° |
| C2 | C1 | C6 | C5 | 0.7° | 0.3° |
| C2 | C1 | C6 | H6 | 179.3° | 179.8° |
| C1 | C2 | C3 | C4 | 0.4° | 0.5° |
| C1 | C2 | C3 | N3 | 179.1° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.0° | 0.0° |
| C6 | C5 | C4 | N4 | 157.5° | 180.0° |
| H6 | C6 | C5 | C4 | 179.3° | 179.9° |
| H6 | C6 | C5 | H5 | 0.7° | 0.1° |
| C5 | C4 | C3 | N4 | 163.4° | 180.0° |
| C5 | C4 | C3 | N3 | 179.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.5° | 0.2° |
| C5 | C4 | N4 | HN4 | 148.6° | 0.0° |
| C5 | C4 | N4 | HN4A | 91.4° | 180.0° |
| H5 | C5 | C4 | C3 | 179.9° | 180.0° |
| H5 | C5 | C4 | N4 | 22.5° | 0.0° |
| C4 | C3 | N3 | C2 | 179.5° | 179.8° |
| C4 | C3 | N3 | HN3 | 151.3° | 0.0° |
| C4 | C3 | N3 | HN3A | 88.7° | 180.0° |
| C4 | C3 | C2 | H2 | 179.6° | 179.7° |
| C3 | C4 | N4 | HN4 | 11.2° | 180.0° |
| C3 | C4 | N4 | HN4A | 108.7° | 0.1° |
| C3 | N3 | HN3 | HN3A | 120.0° | 180.0° |
| N3 | C3 | C2 | H2 | 0.9° | 0.0° |
| N3 | C3 | C4 | N4 | 17.6° | 0.0° |
| C2 | C3 | N3 | HN3 | 29.1° | 179.7° |
| C2 | C3 | N3 | HN3A | 90.8° | 0.2° |
| C2 | C3 | C4 | N4 | 162.9° | 179.8° |
| C4 | N4 | HN4 | HN4A | 120.0° | 179.9° |
