RBV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | N2 | sing | 1.29Å | 1.36Å | Aromatic |
| N1 | C5 | sing | 1.35Å | 1.32Å | Aromatic |
| N1 | C1' | sing | 1.47Å | 1.45Å | |
| N2 | C3 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | N4 | sing | 1.35Å | 1.37Å | Aromatic |
| C3 | C6 | sing | 1.48Å | 1.53Å | |
| N3 | C6 | sing | 1.35Å | 1.43Å | |
| O3 | C6 | doub | 1.22Å | 1.24Å | |
| N4 | C5 | doub | 1.31Å | 1.36Å | Aromatic |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.41Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N3 | HN3A | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | N1 | C5 | 109.3° | 108.5° |
| N2 | N1 | C1' | 125.1° | 125.7° |
| N1 | N2 | C3 | 108.0° | 108.7° |
| C5 | N1 | C1' | 125.6° | 125.7° |
| N1 | C5 | N4 | 107.4° | 107.6° |
| N1 | C5 | H5 | 126.3° | 126.2° |
| N1 | C1' | C2' | 113.8° | 110.6° |
| N1 | C1' | O4' | 108.2° | 110.6° |
| N1 | C1' | H1' | 107.1° | 110.6° |
| N2 | C3 | N4 | 107.2° | 107.9° |
| N2 | C3 | C6 | 126.4° | 126.0° |
| N4 | C3 | C6 | 126.4° | 126.1° |
| C3 | N4 | C5 | 108.1° | 107.3° |
| C3 | C6 | N3 | 120.5° | 120.0° |
| C3 | C6 | O3 | 120.4° | 120.0° |
| N3 | C6 | O3 | 119.1° | 120.0° |
| C6 | N3 | HN3 | 120.0° | 120.0° |
| C6 | N3 | HN3A | 120.0° | 120.0° |
| N4 | C5 | H5 | 126.3° | 126.3° |
| C2' | C1' | O4' | 108.7° | 103.5° |
| C1' | C2' | O2' | 110.9° | 110.9° |
| C1' | C2' | C3' | 105.5° | 102.1° |
| C2' | C1' | H1' | 106.7° | 110.6° |
| C1' | C2' | H2' | 112.7° | 110.9° |
| C1' | O4' | C4' | 111.5° | 107.0° |
| O4' | C1' | H1' | 112.5° | 110.7° |
| O2' | C2' | C3' | 113.7° | 110.9° |
| O2' | C2' | H2' | 104.3° | 110.7° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C2' | C3' | O3' | 109.0° | 110.5° |
| C2' | C3' | C4' | 105.9° | 104.2° |
| C3' | C2' | H2' | 109.9° | 110.9° |
| C2' | C3' | H3' | 112.1° | 110.5° |
| O3' | C3' | C4' | 109.5° | 110.5° |
| O3' | C3' | H3' | 108.6° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | O4' | 107.7° | 107.3° |
| C3' | C4' | C5' | 115.0° | 109.9° |
| C4' | C3' | H3' | 111.6° | 110.6° |
| C3' | C4' | H4' | 106.7° | 109.9° |
| O4' | C4' | C5' | 108.6° | 109.9° |
| O4' | C4' | H4' | 113.3° | 109.9° |
| C4' | C5' | O5' | 111.8° | 109.4° |
| C5' | C4' | H4' | 105.7° | 110.0° |
| C4' | C5' | H5' | 108.7° | 109.4° |
| C4' | C5' | H5'A | 108.7° | 109.5° |
| O5' | C5' | H5' | 108.7° | 109.4° |
| O5' | C5' | H5'A | 108.7° | 109.5° |
| C5' | O5' | HO5' | 109.5° | 114.0° |
| HN3 | N3 | HN3A | 120.0° | 120.0° |
| H5' | C5' | H5'A | 110.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | N1 | C5 | C1' | 179.7° | 179.7° |
| N1 | N2 | C3 | N4 | 0.4° | 0.0° |
| N1 | N2 | C3 | C6 | 179.7° | 180.0° |
| N2 | N1 | C5 | N4 | 0.2° | 0.0° |
| N2 | N1 | C1' | C2' | 150.5° | 54.9° |
| N2 | N1 | C1' | O4' | 88.7° | 59.1° |
| N2 | N1 | C5 | H5 | 179.8° | 180.0° |
| N2 | N1 | C1' | H1' | 32.8° | 177.8° |
| C5 | N1 | N2 | C3 | 0.4° | 0.1° |
| N1 | C5 | N4 | C3 | 0.1° | 0.0° |
| N1 | C5 | N4 | H5 | 180.0° | 180.0° |
| C5 | N1 | C1' | C2' | 29.9° | 124.7° |
| C5 | N1 | C1' | O4' | 91.0° | 121.3° |
| C5 | N1 | C1' | H1' | 147.6° | 1.8° |
| C1' | N1 | N2 | C3 | 179.9° | 179.7° |
| C1' | N1 | C5 | N4 | 179.9° | 179.7° |
| N1 | C1' | C2' | O4' | 120.6° | 118.5° |
| N1 | C1' | C2' | H1' | 117.9° | 122.9° |
| N1 | C1' | O4' | H1' | 118.1° | 122.9° |
| N1 | C1' | C2' | O2' | 122.3° | 86.3° |
| N1 | C1' | C2' | C3' | 114.1° | 155.5° |
| N1 | C1' | O4' | C4' | 115.4° | 158.6° |
| C1' | N1 | C5 | H5 | 0.1° | 0.3° |
| N1 | C1' | C2' | H2' | 5.8° | 37.2° |
| N2 | C3 | N4 | C6 | 179.9° | 180.0° |
| N2 | C3 | C6 | N3 | 48.7° | 180.0° |
| N2 | C3 | C6 | O3 | 129.9° | 0.0° |
| N2 | C3 | N4 | C5 | 0.3° | 0.0° |
| N4 | C3 | C6 | N3 | 131.2° | 0.0° |
| N4 | C3 | C6 | O3 | 50.2° | 180.0° |
| C3 | N4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C6 | N3 | O3 | 178.6° | 180.0° |
| C6 | C3 | N4 | C5 | 179.8° | 180.0° |
| C3 | C6 | N3 | HN3 | 178.6° | 0.1° |
| C3 | C6 | N3 | HN3A | 1.4° | 180.0° |
| C6 | N3 | HN3 | HN3A | 180.0° | 180.0° |
| O3 | C6 | N3 | HN3 | 0.0° | 180.0° |
| O3 | C6 | N3 | HN3A | 180.0° | 0.0° |
| C2' | C1' | O4' | H1' | 117.9° | 118.6° |
| C1' | C2' | O2' | C3' | 118.7° | 112.7° |
| C1' | C2' | O2' | H2' | 121.6° | 123.6° |
| C1' | C2' | C3' | H2' | 121.7° | 118.3° |
| C1' | C2' | C3' | O3' | 120.0° | 97.8° |
| C1' | C2' | C3' | C4' | 2.2° | 20.9° |
| C2' | C1' | O4' | C4' | 8.6° | 40.1° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | H3' | 119.7° | 139.7° |
| O4' | C1' | C2' | O2' | 117.1° | 155.2° |
| O4' | C1' | C2' | C3' | 6.5° | 37.0° |
| C1' | O4' | C4' | C3' | 7.1° | 26.5° |
| C1' | O4' | C4' | C5' | 118.0° | 145.9° |
| O4' | C1' | C2' | H2' | 126.4° | 81.2° |
| C1' | O4' | C4' | H4' | 124.8° | 92.9° |
| O2' | C2' | C3' | H2' | 116.5° | 123.5° |
| O2' | C2' | C3' | O3' | 1.7° | 20.5° |
| O2' | C2' | C3' | C4' | 119.5° | 139.1° |
| O2' | C2' | C1' | H1' | 4.4° | 36.6° |
| O2' | C2' | C3' | H3' | 118.6° | 102.1° |
| C2' | C3' | O3' | C4' | 115.5° | 114.8° |
| C2' | C3' | O3' | H3' | 122.4° | 122.6° |
| C2' | C3' | C4' | H3' | 122.2° | 118.7° |
| C2' | C3' | C4' | O4' | 2.6° | 2.0° |
| C2' | C3' | C4' | C5' | 118.6° | 121.4° |
| C3' | C2' | C1' | H1' | 128.0° | 81.6° |
| C3' | C2' | O2' | HO2' | 61.3° | 67.3° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | H4' | 124.6° | 117.4° |
| O3' | C3' | C4' | H3' | 120.3° | 122.6° |
| O3' | C3' | C4' | O4' | 114.8° | 120.7° |
| O3' | C3' | C4' | C5' | 124.0° | 119.9° |
| O3' | C3' | C2' | H2' | 118.2° | 144.0° |
| O3' | C3' | C4' | H4' | 7.1° | 1.3° |
| C3' | C4' | O4' | C5' | 125.1° | 119.4° |
| C3' | C4' | O4' | H4' | 117.8° | 119.4° |
| C3' | C4' | C5' | H4' | 117.4° | 121.1° |
| C3' | C4' | C5' | O5' | 162.8° | 175.0° |
| C4' | C3' | C2' | H2' | 124.0° | 97.4° |
| C4' | C3' | O3' | HO3' | 64.5° | 176.3° |
| C3' | C4' | C5' | H5' | 77.2° | 55.1° |
| C3' | C4' | C5' | H5'A | 42.8° | 65.0° |
| O4' | C4' | C5' | H4' | 121.9° | 121.1° |
| O4' | C4' | C5' | O5' | 42.1° | 67.2° |
| C4' | O4' | C1' | H1' | 126.4° | 78.5° |
| O4' | C4' | C3' | H3' | 124.8° | 116.7° |
| O4' | C4' | C5' | H5' | 162.1° | 172.9° |
| O4' | C4' | C5' | H5'A | 77.9° | 52.8° |
| C4' | C5' | O5' | H5' | 120.0° | 119.9° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C5' | C4' | C3' | H3' | 3.6° | 2.7° |
| C4' | C5' | H5' | H5'A | 119.1° | 120.0° |
| C4' | C5' | O5' | HO5' | 180.0° | 180.0° |
| O5' | C5' | C4' | H4' | 79.8° | 53.9° |
| O5' | C5' | H5' | H5'A | 119.1° | 120.1° |
| H1' | C1' | C2' | H2' | 112.2° | 160.1° |
| H2' | C2' | O2' | HO2' | 58.4° | 56.4° |
| H2' | C2' | C3' | H3' | 2.1° | 21.4° |
| H3' | C3' | O3' | HO3' | 57.6° | 61.1° |
| H3' | C3' | C4' | H4' | 113.2° | 123.9° |
| H4' | C4' | C5' | H5' | 40.2° | 66.0° |
| H4' | C4' | C5' | H5'A | 160.2° | 174.0° |
| H5' | C5' | O5' | HO5' | 60.0° | 60.1° |
| H5'A | C5' | O5' | HO5' | 60.0° | 60.0° |
