DDU
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 | 1.31Å | |
| N1 | C1' | sing | 1.46Å | 1.49Å | |
| C2 | N3 | sing | 1.35Å | 1.39Å | |
| C2 | O2 | doub | 1.21Å | 1.22Å | |
| N3 | C4 | sing | 1.35Å | 1.39Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.41Å | 1.46Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C5 | C6 | doub | 1.35Å | 1.40Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.52Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.12Å | |
| C3' | C4' | sing | 1.54Å | 1.55Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.49Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C5' | H5'3 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 122.9° | 120.7° |
| C2 | N1 | C1' | 119.4° | 119.7° |
| N1 | C2 | N3 | 117.1° | 120.9° |
| N1 | C2 | O2 | 123.8° | 119.5° |
| C6 | N1 | C1' | 117.7° | 119.7° |
| N1 | C6 | C5 | 120.4° | 119.7° |
| N1 | C6 | H6 | 116.5° | 120.2° |
| N1 | C1' | C2' | 114.0° | 110.8° |
| N1 | C1' | O4' | 121.6° | 110.6° |
| N1 | C1' | H1' | 95.0° | 110.5° |
| N3 | C2 | O2 | 119.2° | 119.6° |
| C2 | N3 | C4 | 125.1° | 120.3° |
| C2 | N3 | HN3 | 117.4° | 119.8° |
| C4 | N3 | HN3 | 117.6° | 119.9° |
| N3 | C4 | C5 | 113.7° | 119.4° |
| N3 | C4 | O4 | 121.1° | 120.3° |
| C5 | C4 | O4 | 125.2° | 120.3° |
| C4 | C5 | C6 | 120.8° | 119.1° |
| C4 | C5 | H5 | 121.7° | 120.4° |
| C6 | C5 | H5 | 117.5° | 120.4° |
| C5 | C6 | H6 | 123.1° | 120.1° |
| C2' | C1' | O4' | 104.0° | 103.5° |
| C2' | C1' | H1' | 115.8° | 110.7° |
| C1' | C2' | C3' | 103.9° | 102.1° |
| C1' | C2' | H2'1 | 114.3° | 110.9° |
| C1' | C2' | H2'2 | 114.3° | 110.9° |
| O4' | C1' | H1' | 106.8° | 110.6° |
| C1' | O4' | C4' | 107.5° | 107.0° |
| C3' | C2' | H2'1 | 114.4° | 110.8° |
| C3' | C2' | H2'2 | 114.3° | 111.0° |
| C2' | C3' | C4' | 99.4° | 104.0° |
| C2' | C3' | O3' | 110.5° | 110.5° |
| C2' | C3' | H3' | 114.7° | 110.5° |
| H2'1 | C2' | H2'2 | 96.1° | 110.9° |
| C4' | C3' | O3' | 108.0° | 110.8° |
| C4' | C3' | H3' | 116.9° | 110.5° |
| C3' | C4' | O4' | 104.5° | 107.4° |
| C3' | C4' | C5' | 112.2° | 109.9° |
| C3' | C4' | H4' | 110.7° | 109.9° |
| O3' | C3' | H3' | 107.1° | 110.4° |
| C3' | O3' | HO3' | 110.4° | 106.8° |
| O4' | C4' | C5' | 108.5° | 109.9° |
| O4' | C4' | H4' | 114.3° | 109.9° |
| C5' | C4' | H4' | 106.8° | 109.9° |
| C4' | C5' | H5'1 | 112.2° | 109.5° |
| C4' | C5' | H5'2 | 111.2° | 109.5° |
| C4' | C5' | H5'3 | 111.2° | 109.5° |
| H5'1 | C5' | H5'2 | 111.2° | 109.5° |
| H5'1 | C5' | H5'3 | 111.2° | 109.4° |
| H5'2 | C5' | H5'3 | 99.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 177.9° | 179.8° |
| N1 | C2 | N3 | O2 | 178.7° | 179.5° |
| N1 | C2 | N3 | C4 | 0.8° | 0.6° |
| N1 | C2 | N3 | HN3 | 179.2° | 179.8° |
| C2 | N1 | C6 | C5 | 0.5° | 0.2° |
| C2 | N1 | C6 | H6 | 179.5° | 179.8° |
| C2 | N1 | C1' | C2' | 77.1° | 55.8° |
| C2 | N1 | C1' | O4' | 157.1° | 58.3° |
| C2 | N1 | C1' | H1' | 44.0° | 178.9° |
| C6 | N1 | C2 | N3 | 0.6° | 0.5° |
| C6 | N1 | C2 | O2 | 179.2° | 180.0° |
| N1 | C6 | C5 | C4 | 0.6° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | H5 | 179.3° | 180.0° |
| C6 | N1 | C1' | C2' | 104.9° | 124.4° |
| C6 | N1 | C1' | O4' | 20.9° | 121.4° |
| C6 | N1 | C1' | H1' | 134.1° | 1.4° |
| C1' | N1 | C2 | N3 | 178.5° | 179.7° |
| C1' | N1 | C2 | O2 | 2.9° | 0.2° |
| C1' | N1 | C6 | C5 | 178.5° | 180.0° |
| C1' | N1 | C6 | H6 | 1.5° | 0.0° |
| N1 | C1' | C2' | O4' | 134.5° | 118.6° |
| N1 | C1' | C2' | H1' | 108.6° | 122.9° |
| N1 | C1' | O4' | H1' | 106.9° | 122.8° |
| N1 | C1' | C2' | C3' | 166.7° | 155.7° |
| N1 | C1' | C2' | H2'1 | 68.0° | 86.3° |
| N1 | C1' | C2' | H2'2 | 41.4° | 37.4° |
| N1 | C1' | O4' | C4' | 136.3° | 158.7° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.6° |
| C2 | N3 | C4 | C5 | 0.9° | 0.3° |
| C2 | N3 | C4 | O4 | 179.0° | 179.7° |
| O2 | C2 | N3 | C4 | 179.5° | 180.0° |
| O2 | C2 | N3 | HN3 | 0.5° | 0.3° |
| N3 | C4 | C5 | O4 | 179.8° | 180.0° |
| N3 | C4 | C5 | C6 | 0.7° | 0.0° |
| N3 | C4 | C5 | H5 | 179.2° | 179.9° |
| HN3 | N3 | C4 | C5 | 179.1° | 179.9° |
| HN3 | N3 | C4 | O4 | 1.1° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.4° | 180.0° |
| O4 | C4 | C5 | C6 | 179.1° | 180.0° |
| O4 | C4 | C5 | H5 | 1.0° | 0.1° |
| H5 | C5 | C6 | H6 | 0.6° | 0.0° |
| C2' | C1' | O4' | H1' | 122.9° | 118.6° |
| C1' | C2' | C3' | H2'1 | 125.3° | 118.1° |
| C1' | C2' | C3' | H2'2 | 125.3° | 118.3° |
| C1' | C2' | H2'1 | H2'2 | 120.2° | 123.7° |
| C1' | C2' | C3' | C4' | 44.4° | 21.0° |
| C1' | C2' | C3' | O3' | 69.0° | 97.9° |
| C1' | C2' | C3' | H3' | 169.9° | 139.6° |
| C2' | C1' | O4' | C4' | 6.1° | 40.0° |
| O4' | C1' | C2' | C3' | 32.1° | 37.1° |
| O4' | C1' | C2' | H2'1 | 157.5° | 155.2° |
| O4' | C1' | C2' | H2'2 | 93.1° | 81.2° |
| C1' | O4' | C4' | C3' | 21.7° | 26.4° |
| C1' | O4' | C4' | C5' | 98.2° | 145.9° |
| C1' | O4' | C4' | H4' | 142.8° | 93.1° |
| H1' | C1' | C2' | C3' | 84.7° | 81.4° |
| H1' | C1' | C2' | H2'1 | 40.6° | 36.6° |
| H1' | C1' | C2' | H2'2 | 150.0° | 160.3° |
| H1' | C1' | O4' | C4' | 116.8° | 78.5° |
| C3' | C2' | H2'1 | H2'2 | 120.2° | 123.7° |
| C2' | C3' | C4' | O3' | 115.2° | 118.7° |
| C2' | C3' | C4' | H3' | 124.0° | 118.6° |
| C2' | C3' | O3' | H3' | 125.5° | 122.5° |
| C2' | C3' | C4' | O4' | 40.5° | 1.9° |
| C2' | C3' | C4' | C5' | 76.8° | 121.4° |
| C2' | C3' | C4' | H4' | 164.0° | 117.6° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
| H2'1 | C2' | C3' | C4' | 169.7° | 139.1° |
| H2'1 | C2' | C3' | O3' | 56.3° | 20.2° |
| H2'1 | C2' | C3' | H3' | 64.8° | 102.2° |
| H2'2 | C2' | C3' | C4' | 80.9° | 97.3° |
| H2'2 | C2' | C3' | O3' | 165.7° | 143.8° |
| H2'2 | C2' | C3' | H3' | 44.7° | 21.4° |
| C4' | C3' | O3' | H3' | 126.7° | 122.7° |
| C3' | C4' | O4' | C5' | 119.8° | 119.5° |
| C3' | C4' | O4' | H4' | 121.1° | 119.5° |
| C3' | C4' | C5' | H4' | 121.4° | 121.0° |
| C4' | C3' | O3' | HO3' | 72.2° | 176.2° |
| C3' | C4' | C5' | H5'1 | 180.0° | 179.7° |
| C3' | C4' | C5' | H5'2 | 54.7° | 60.4° |
| C3' | C4' | C5' | H5'3 | 54.7° | 59.7° |
| O3' | C3' | C4' | O4' | 74.7° | 120.6° |
| O3' | C3' | C4' | C5' | 167.9° | 119.9° |
| O3' | C3' | C4' | H4' | 48.7° | 1.1° |
| H3' | C3' | C4' | O4' | 164.5° | 116.7° |
| H3' | C3' | C4' | C5' | 47.2° | 2.8° |
| H3' | C3' | C4' | H4' | 72.0° | 123.8° |
| H3' | C3' | O3' | HO3' | 54.5° | 61.1° |
| O4' | C4' | C5' | H4' | 123.6° | 121.0° |
| O4' | C4' | C5' | H5'1 | 65.0° | 61.7° |
| O4' | C4' | C5' | H5'2 | 169.7° | 178.3° |
| O4' | C4' | C5' | H5'3 | 60.2° | 58.3° |
| C4' | C5' | H5'1 | H5'2 | 125.3° | 120.0° |
| C4' | C5' | H5'1 | H5'3 | 125.3° | 120.0° |
| C4' | C5' | H5'2 | H5'3 | 117.1° | 120.1° |
| H4' | C4' | C5' | H5'1 | 58.6° | 59.3° |
| H4' | C4' | C5' | H5'2 | 66.7° | 60.7° |
| H4' | C4' | C5' | H5'3 | 176.2° | 179.3° |
| H5'1 | C5' | H5'2 | H5'3 | 117.0° | 120.0° |
