RDD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N3 | sing | 1.35Å | 1.40Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | N1 | sing | 1.35Å | 1.42Å | |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C6 | N5 | sing | 1.35Å | 1.41Å | |
| C6 | N1 | sing | 1.35Å | 1.42Å | |
| C4 | N5 | sing | 1.35Å | 1.40Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C4 | N3 | sing | 1.35Å | 1.40Å | |
| N1 | C1' | sing | 1.46Å | 1.50Å | |
| C1' | O4' | sing | 1.44Å | 1.46Å | |
| C1' | C2' | sing | 1.54Å | 1.54Å | |
| O4' | C4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.55Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.54Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C2 | O2 | 118.7° | 120.0° |
| N3 | C2 | N1 | 120.4° | 120.0° |
| C2 | N3 | C4 | 120.4° | 120.0° |
| C2 | N3 | HN3 | 119.8° | 120.1° |
| O2 | C2 | N1 | 120.9° | 120.0° |
| C2 | N1 | C6 | 118.8° | 120.0° |
| C2 | N1 | C1' | 119.2° | 120.0° |
| O6 | C6 | N5 | 118.3° | 120.0° |
| O6 | C6 | N1 | 121.7° | 120.0° |
| N5 | C6 | N1 | 120.1° | 120.0° |
| C6 | N5 | C4 | 120.4° | 120.0° |
| C6 | N5 | HN5 | 119.8° | 120.0° |
| C6 | N1 | C1' | 121.9° | 120.0° |
| N5 | C4 | O4 | 120.0° | 120.0° |
| N5 | C4 | N3 | 120.0° | 120.0° |
| C4 | N5 | HN5 | 119.8° | 120.0° |
| O4 | C4 | N3 | 120.0° | 120.0° |
| C4 | N3 | HN3 | 119.8° | 119.9° |
| N1 | C1' | O4' | 110.7° | 110.4° |
| N1 | C1' | C2' | 113.9° | 110.4° |
| N1 | C1' | H1' | 104.4° | 110.3° |
| O4' | C1' | C2' | 105.7° | 104.8° |
| C1' | O4' | C4' | 104.7° | 105.3° |
| O4' | C1' | H1' | 112.8° | 110.4° |
| C1' | C2' | C3' | 104.1° | 104.1° |
| C1' | C2' | O2' | 109.5° | 110.6° |
| C2' | C1' | H1' | 109.5° | 110.4° |
| C1' | C2' | H2' | 113.4° | 110.5° |
| O4' | C4' | C5' | 111.4° | 110.4° |
| O4' | C4' | C3' | 103.1° | 104.8° |
| O4' | C4' | H4' | 113.3° | 110.4° |
| C5' | C4' | C3' | 112.1° | 110.4° |
| C4' | C5' | O5' | 111.1° | 109.5° |
| C5' | C4' | H4' | 104.6° | 110.3° |
| C4' | C5' | H5' | 108.9° | 109.5° |
| C4' | C5' | H5'A | 108.6° | 109.5° |
| C4' | C3' | O3' | 110.1° | 110.5° |
| C4' | C3' | C2' | 103.2° | 104.0° |
| C3' | C4' | H4' | 112.6° | 110.5° |
| C4' | C3' | H3' | 113.6° | 110.6° |
| O5' | C5' | H5' | 108.9° | 109.5° |
| O5' | C5' | H5'A | 108.5° | 109.5° |
| C5' | O5' | HO5' | 109.5° | 114.0° |
| O3' | C3' | C2' | 110.8° | 110.5° |
| O3' | C3' | H3' | 106.3° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C2' | O2' | 110.9° | 110.5° |
| C2' | C3' | H3' | 112.9° | 110.6° |
| C3' | C2' | H2' | 112.1° | 110.5° |
| O2' | C2' | H2' | 106.9° | 110.5° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| H5' | C5' | H5'A | 110.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C2 | O2 | N1 | 179.9° | 179.7° |
| N3 | C2 | N1 | C6 | 0.2° | 0.0° |
| C2 | N3 | C4 | N5 | 0.1° | 0.6° |
| C2 | N3 | C4 | O4 | 179.9° | 180.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
| N3 | C2 | N1 | C1' | 179.7° | 180.0° |
| O2 | C2 | N1 | C6 | 179.9° | 179.7° |
| O2 | C2 | N3 | C4 | 179.9° | 180.0° |
| O2 | C2 | N1 | C1' | 0.4° | 0.3° |
| O2 | C2 | N3 | HN3 | 0.1° | 0.0° |
| C2 | N1 | C6 | O6 | 179.9° | 180.0° |
| C2 | N1 | C6 | N5 | 0.3° | 0.0° |
| C2 | N1 | C6 | C1' | 179.5° | 180.0° |
| N1 | C2 | N3 | C4 | 0.0° | 0.3° |
| C2 | N1 | C1' | O4' | 127.1° | 126.5° |
| C2 | N1 | C1' | C2' | 113.9° | 118.1° |
| N1 | C2 | N3 | HN3 | 180.0° | 179.7° |
| C2 | N1 | C1' | H1' | 5.5° | 4.2° |
| O6 | C6 | N5 | N1 | 179.8° | 180.0° |
| O6 | C6 | N5 | C4 | 180.0° | 179.7° |
| O6 | C6 | N1 | C1' | 0.4° | 0.1° |
| O6 | C6 | N5 | HN5 | 0.0° | 0.1° |
| C6 | N5 | C4 | HN5 | 180.0° | 179.7° |
| C6 | N5 | C4 | O4 | 180.0° | 180.0° |
| C6 | N5 | C4 | N3 | 0.0° | 0.6° |
| N5 | C6 | N1 | C1' | 179.8° | 180.0° |
| N1 | C6 | N5 | C4 | 0.2° | 0.3° |
| C6 | N1 | C1' | O4' | 52.4° | 53.6° |
| C6 | N1 | C1' | C2' | 66.6° | 61.8° |
| N1 | C6 | N5 | HN5 | 179.8° | 180.0° |
| C6 | N1 | C1' | H1' | 174.0° | 175.8° |
| N5 | C4 | O4 | N3 | 180.0° | 179.4° |
| N5 | C4 | N3 | HN3 | 179.9° | 179.4° |
| O4 | C4 | N5 | HN5 | 0.1° | 0.3° |
| O4 | C4 | N3 | HN3 | 0.1° | 0.1° |
| N3 | C4 | N5 | HN5 | 180.0° | 179.7° |
| N1 | C1' | O4' | C2' | 123.9° | 118.9° |
| N1 | C1' | O4' | H1' | 116.5° | 122.2° |
| N1 | C1' | C2' | H1' | 116.5° | 122.3° |
| N1 | C1' | O4' | C4' | 158.7° | 159.4° |
| N1 | C1' | C2' | C3' | 132.6° | 142.8° |
| N1 | C1' | C2' | O2' | 108.8° | 98.5° |
| N1 | C1' | C2' | H2' | 10.5° | 24.2° |
| O4' | C1' | C2' | H1' | 121.8° | 118.8° |
| C1' | O4' | C4' | C5' | 165.2° | 159.3° |
| C1' | O4' | C4' | C3' | 44.8° | 40.5° |
| O4' | C1' | C2' | C3' | 10.8° | 23.9° |
| O4' | C1' | C2' | O2' | 129.4° | 142.6° |
| C1' | O4' | C4' | H4' | 77.3° | 78.4° |
| O4' | C1' | C2' | H2' | 111.3° | 94.7° |
| C2' | C1' | O4' | C4' | 34.8° | 40.5° |
| C1' | C2' | C3' | C4' | 15.3° | 0.0° |
| C1' | C2' | C3' | O3' | 133.1° | 118.7° |
| C1' | C2' | C3' | O2' | 117.7° | 118.7° |
| C1' | C2' | C3' | H2' | 122.9° | 118.6° |
| C1' | C2' | O2' | H2' | 123.2° | 122.7° |
| C1' | C2' | C3' | H3' | 107.7° | 118.7° |
| C1' | C2' | O2' | HO2' | 3.1° | 180.0° |
| O4' | C4' | C5' | C3' | 115.0° | 115.4° |
| O4' | C4' | C5' | H4' | 122.7° | 122.2° |
| O4' | C4' | C3' | H4' | 122.5° | 118.9° |
| O4' | C4' | C5' | O5' | 39.3° | 66.4° |
| O4' | C4' | C3' | O3' | 155.1° | 142.6° |
| O4' | C4' | C3' | C2' | 36.8° | 24.0° |
| C4' | O4' | C1' | H1' | 84.8° | 78.4° |
| O4' | C4' | C5' | H5' | 80.7° | 173.5° |
| O4' | C4' | C5' | H5'A | 158.6° | 53.5° |
| O4' | C4' | C3' | H3' | 85.8° | 94.8° |
| C5' | C4' | C3' | H4' | 117.6° | 122.3° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 119.3° | 120.0° |
| C5' | C4' | C3' | O3' | 85.0° | 98.5° |
| C5' | C4' | C3' | C2' | 156.7° | 142.8° |
| C4' | C5' | H5' | H5'A | 119.3° | 120.0° |
| C4' | C5' | O5' | HO5' | 79.0° | 180.0° |
| C5' | C4' | C3' | H3' | 34.1° | 24.0° |
| C3' | C4' | C5' | O5' | 75.7° | 178.2° |
| C4' | C3' | O3' | C2' | 113.5° | 114.6° |
| C4' | C3' | O3' | H3' | 123.4° | 122.7° |
| C4' | C3' | C2' | H3' | 123.0° | 118.7° |
| C4' | C3' | C2' | O2' | 102.4° | 118.7° |
| C3' | C4' | C5' | H5' | 164.3° | 58.1° |
| C3' | C4' | C5' | H5'A | 43.6° | 61.8° |
| C4' | C3' | O3' | HO3' | 2.2° | 61.5° |
| C4' | C3' | C2' | H2' | 138.2° | 118.7° |
| O5' | C5' | C4' | H4' | 162.0° | 55.8° |
| O5' | C5' | H5' | H5'A | 119.3° | 120.0° |
| O3' | C3' | C2' | H3' | 119.2° | 122.6° |
| O3' | C3' | C2' | O2' | 15.4° | 0.0° |
| O3' | C3' | C4' | H4' | 32.6° | 23.7° |
| O3' | C3' | C2' | H2' | 104.0° | 122.7° |
| C3' | C2' | O2' | H2' | 122.5° | 122.7° |
| C3' | C2' | C1' | H1' | 111.0° | 94.9° |
| C2' | C3' | C4' | H4' | 85.7° | 94.9° |
| C2' | C3' | O3' | HO3' | 111.3° | 176.1° |
| C3' | C2' | O2' | HO2' | 111.2° | 65.3° |
| O2' | C2' | C1' | H1' | 7.6° | 23.8° |
| O2' | C2' | C3' | H3' | 134.6° | 122.6° |
| H1' | C1' | C2' | H2' | 127.0° | 146.5° |
| H4' | C4' | C5' | H5' | 42.0° | 64.2° |
| H4' | C4' | C5' | H5'A | 78.7° | 175.8° |
| H4' | C4' | C3' | H3' | 151.7° | 146.3° |
| H5' | C5' | O5' | HO5' | 161.0° | 60.0° |
| H5'A | C5' | O5' | HO5' | 40.4° | 60.0° |
| H3' | C3' | O3' | HO3' | 125.7° | 61.2° |
| H3' | C3' | C2' | H2' | 15.2° | 0.1° |
| H2' | C2' | O2' | HO2' | 126.3° | 57.3° |
