523
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C6 | doub | 1.29Å | 1.41Å | Aromatic |
| N1 | C1' | sing | 1.47Å | 1.52Å | |
| N1 | C2 | sing | 1.58Å | 1.40Å | Aromatic |
| C2 | N3 | sing | 1.37Å | 1.34Å | Aromatic |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| N3 | C4 | sing | 1.39Å | 1.33Å | Aromatic |
| N3 | HN3 | sing | 1.02Å | 1.00Å | |
| C4 | C5 | doub | 1.36Å | 1.42Å | Aromatic |
| C4 | N4 | sing | 1.37Å | 1.37Å | |
| C5 | C5A | sing | 1.50Å | 1.48Å | |
| C5 | C6 | sing | 1.49Å | 1.37Å | Aromatic |
| C5A | H5A1 | sing | 1.09Å | 1.10Å | |
| C5A | H5A2 | sing | 1.09Å | 1.10Å | |
| C5A | H5A3 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.10Å | 1.08Å | |
| N4 | HN41 | sing | 0.99Å | 1.00Å | |
| N4 | HN42 | sing | 0.99Å | 1.00Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | C2' | sing | 1.52Å | 1.54Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.51Å | 1.55Å | |
| C2' | H2'1 | sing | 1.10Å | 1.10Å | |
| C2' | H2'2 | sing | 1.10Å | 1.10Å | |
| C3' | C4' | sing | 1.52Å | 1.58Å | |
| C3' | O3' | sing | 1.41Å | 1.45Å | |
| C3' | H3' | sing | 1.10Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.47Å | |
| C4' | C5' | sing | 1.52Å | 1.56Å | |
| C4' | H4' | sing | 1.10Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.42Å | 1.45Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| O5' | PA | sing | 1.62Å | 1.65Å | |
| PA | O2A | doub | 1.50Å | 1.62Å | |
| PA | O1A | sing | 1.62Å | 1.47Å | |
| PA | O3A | sing | 1.62Å | 1.59Å | |
| O1A | HO1A | sing | 0.98Å | 0.95Å | |
| O3A | PB | sing | 1.62Å | 1.64Å | |
| PB | O2B | doub | 1.50Å | 1.57Å | |
| PB | O3B | sing | 1.62Å | 1.59Å | |
| PB | O1B | sing | 1.62Å | 1.49Å | |
| O1B | HO1B | sing | 0.98Å | 0.95Å | |
| O3B | PG | sing | 1.62Å | 1.61Å | |
| PG | O1G | doub | 1.50Å | 1.52Å | |
| PG | O3G | sing | 1.62Å | 1.59Å | |
| PG | O2G | sing | 1.62Å | 1.62Å | |
| O2G | HO2G | sing | 0.98Å | 0.95Å | |
| O3G | HO3G | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N1 | C1' | 118.6° | 126.5° |
| C6 | N1 | C2 | 118.2° | 115.5° |
| N1 | C6 | C5 | 120.2° | 124.6° |
| N1 | C6 | H6 | 119.9° | 118.2° |
| C1' | N1 | C2 | 123.2° | 118.0° |
| N1 | C1' | O4' | 108.9° | 116.0° |
| N1 | C1' | C2' | 111.4° | 108.8° |
| N1 | C1' | H1' | 107.8° | 105.8° |
| N1 | C2 | N3 | 120.5° | 117.2° |
| N1 | C2 | O2 | 122.0° | 116.0° |
| N3 | C2 | O2 | 117.5° | 126.8° |
| C2 | N3 | C4 | 122.3° | 124.1° |
| C2 | N3 | HN3 | 118.9° | 118.0° |
| C4 | N3 | HN3 | 118.8° | 117.9° |
| N3 | C4 | C5 | 120.1° | 119.2° |
| N3 | C4 | N4 | 119.9° | 117.5° |
| C5 | C4 | N4 | 120.0° | 123.3° |
| C4 | C5 | C5A | 120.6° | 126.7° |
| C4 | C5 | C6 | 118.7° | 119.5° |
| C4 | N4 | HN41 | 109.5° | 118.2° |
| C4 | N4 | HN42 | 109.4° | 118.2° |
| C5A | C5 | C6 | 120.7° | 113.9° |
| C5 | C5A | H5A1 | 109.5° | 109.4° |
| C5 | C5A | H5A2 | 109.5° | 109.5° |
| C5 | C5A | H5A3 | 109.4° | 109.5° |
| C5 | C6 | H6 | 119.9° | 117.3° |
| H5A1 | C5A | H5A2 | 109.4° | 109.6° |
| H5A1 | C5A | H5A3 | 109.5° | 109.7° |
| H5A2 | C5A | H5A3 | 109.5° | 109.2° |
| HN41 | N4 | HN42 | 109.5° | 123.5° |
| O4' | C1' | C2' | 107.1° | 106.5° |
| O4' | C1' | H1' | 112.1° | 108.5° |
| C1' | O4' | C4' | 111.0° | 108.8° |
| C2' | C1' | H1' | 109.6° | 111.2° |
| C1' | C2' | C3' | 105.2° | 102.3° |
| C1' | C2' | H2'1 | 110.9° | 115.3° |
| C1' | C2' | H2'2 | 111.8° | 110.0° |
| C3' | C2' | H2'1 | 110.9° | 113.0° |
| C3' | C2' | H2'2 | 111.8° | 109.5° |
| C2' | C3' | C4' | 103.5° | 101.4° |
| C2' | C3' | O3' | 108.7° | 111.4° |
| C2' | C3' | H3' | 114.0° | 110.6° |
| H2'1 | C2' | H2'2 | 106.2° | 106.7° |
| C4' | C3' | O3' | 110.1° | 112.3° |
| C4' | C3' | H3' | 112.6° | 111.8° |
| C3' | C4' | O4' | 101.9° | 106.1° |
| C3' | C4' | C5' | 117.1° | 113.4° |
| C3' | C4' | H4' | 107.7° | 111.2° |
| O3' | C3' | H3' | 107.8° | 109.2° |
| C3' | O3' | HO3' | 109.5° | 106.5° |
| O4' | C4' | C5' | 102.3° | 109.5° |
| O4' | C4' | H4' | 121.2° | 107.9° |
| C5' | C4' | H4' | 107.3° | 108.6° |
| C4' | C5' | O5' | 101.8° | 109.0° |
| C4' | C5' | H5'1 | 112.1° | 110.6° |
| C4' | C5' | H5'2 | 113.7° | 110.6° |
| O5' | C5' | H5'1 | 112.1° | 108.8° |
| O5' | C5' | H5'2 | 113.7° | 108.7° |
| C5' | O5' | PA | 116.9° | 119.9° |
| H5'1 | C5' | H5'2 | 103.7° | 109.1° |
| O5' | PA | O2A | 113.0° | 114.8° |
| O5' | PA | O1A | 110.4° | 104.4° |
| O5' | PA | O3A | 105.0° | 104.5° |
| O2A | PA | O1A | 110.7° | 114.4° |
| O2A | PA | O3A | 107.6° | 114.2° |
| O1A | PA | O3A | 110.0° | 103.2° |
| PA | O1A | HO1A | 109.5° | 118.9° |
| PA | O3A | PB | 116.0° | 131.3° |
| O3A | PB | O2B | 108.8° | 115.6° |
| O3A | PB | O3B | 103.2° | 101.6° |
| O3A | PB | O1B | 119.5° | 104.2° |
| O2B | PB | O3B | 103.8° | 115.0° |
| O2B | PB | O1B | 105.6° | 114.8° |
| O3B | PB | O1B | 114.8° | 103.9° |
| PB | O3B | PG | 112.3° | 131.8° |
| PB | O1B | HO1B | 109.5° | 118.9° |
| O3B | PG | O1G | 111.7° | 114.7° |
| O3B | PG | O3G | 109.0° | 103.1° |
| O3B | PG | O2G | 104.7° | 103.6° |
| O1G | PG | O3G | 109.2° | 115.1° |
| O1G | PG | O2G | 113.4° | 115.3° |
| O3G | PG | O2G | 108.8° | 103.5° |
| PG | O3G | HO3G | 109.5° | 119.0° |
| PG | O2G | HO2G | 109.5° | 119.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N1 | C1' | C2 | 178.7° | 180.0° |
| C6 | N1 | C2 | N3 | 1.9° | 0.0° |
| C6 | N1 | C2 | O2 | 179.7° | 180.0° |
| N1 | C6 | C5 | C4 | 0.7° | 0.0° |
| N1 | C6 | C5 | C5A | 179.9° | 180.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | N1 | C1' | O4' | 33.3° | 29.6° |
| C6 | N1 | C1' | C2' | 151.3° | 90.4° |
| C6 | N1 | C1' | H1' | 88.5° | 150.0° |
| C1' | N1 | C2 | N3 | 179.3° | 180.0° |
| C1' | N1 | C2 | O2 | 0.9° | 0.0° |
| C1' | N1 | C6 | C5 | 179.8° | 180.0° |
| C1' | N1 | C6 | H6 | 0.2° | 0.1° |
| N1 | C1' | O4' | C2' | 120.6° | 121.2° |
| N1 | C1' | O4' | H1' | 119.2° | 118.9° |
| N1 | C1' | C2' | H1' | 119.2° | 116.2° |
| N1 | C1' | C2' | C3' | 116.6° | 97.2° |
| N1 | C1' | C2' | H2'1 | 123.4° | 25.8° |
| N1 | C1' | C2' | H2'2 | 5.0° | 146.5° |
| N1 | C1' | O4' | C4' | 140.4° | 114.0° |
| N1 | C2 | N3 | O2 | 178.5° | 180.0° |
| N1 | C2 | N3 | C4 | 1.8° | 0.0° |
| N1 | C2 | N3 | HN3 | 178.2° | 180.0° |
| C2 | N1 | C6 | C5 | 1.4° | 0.0° |
| C2 | N1 | C6 | H6 | 178.6° | 179.9° |
| C2 | N1 | C1' | O4' | 148.0° | 150.4° |
| C2 | N1 | C1' | C2' | 30.0° | 89.6° |
| C2 | N1 | C1' | H1' | 90.2° | 30.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 1.1° | 0.0° |
| C2 | N3 | C4 | N4 | 179.6° | 180.0° |
| O2 | C2 | N3 | C4 | 179.7° | 180.0° |
| O2 | C2 | N3 | HN3 | 0.3° | 0.0° |
| N3 | C4 | C5 | N4 | 179.3° | 180.0° |
| N3 | C4 | C5 | C5A | 179.7° | 180.0° |
| N3 | C4 | C5 | C6 | 0.6° | 0.0° |
| N3 | C4 | N4 | HN41 | 137.6° | 65.0° |
| N3 | C4 | N4 | HN42 | 102.5° | 115.1° |
| HN3 | N3 | C4 | C5 | 178.9° | 180.0° |
| HN3 | N3 | C4 | N4 | 0.4° | 0.0° |
| C4 | C5 | C5A | C6 | 179.1° | 180.0° |
| C4 | C5 | C5A | H5A1 | 85.9° | 163.8° |
| C4 | C5 | C5A | H5A2 | 154.1° | 43.7° |
| C4 | C5 | C5A | H5A3 | 34.1° | 75.9° |
| C4 | C5 | C6 | H6 | 179.3° | 179.9° |
| C5 | C4 | N4 | HN41 | 43.1° | 115.1° |
| C5 | C4 | N4 | HN42 | 76.9° | 64.9° |
| N4 | C4 | C5 | C5A | 1.0° | 0.0° |
| N4 | C4 | C5 | C6 | 179.9° | 180.0° |
| C4 | N4 | HN41 | HN42 | 120.0° | 180.0° |
| C5 | C5A | H5A1 | H5A2 | 120.0° | 120.1° |
| C5 | C5A | H5A1 | H5A3 | 120.0° | 120.1° |
| C5 | C5A | H5A2 | H5A3 | 120.0° | 119.8° |
| C5A | C5 | C6 | H6 | 0.1° | 0.1° |
| C6 | C5 | C5A | H5A1 | 93.2° | 16.2° |
| C6 | C5 | C5A | H5A2 | 26.7° | 136.3° |
| C6 | C5 | C5A | H5A3 | 146.8° | 104.1° |
| H5A1 | C5A | H5A2 | H5A3 | 120.0° | 120.1° |
| O4' | C1' | C2' | H1' | 121.8° | 118.1° |
| O4' | C1' | C2' | C3' | 2.4° | 28.5° |
| O4' | C1' | C2' | H2'1 | 117.6° | 151.5° |
| O4' | C1' | C2' | H2'2 | 124.0° | 87.8° |
| C1' | O4' | C4' | C3' | 32.6° | 17.2° |
| C1' | O4' | C4' | C5' | 154.0° | 139.9° |
| C1' | O4' | C4' | H4' | 86.8° | 102.0° |
| C1' | C2' | C3' | H2'1 | 120.0° | 124.6° |
| C1' | C2' | C3' | H2'2 | 121.6° | 116.7° |
| C1' | C2' | H2'1 | H2'2 | 121.7° | 122.5° |
| C1' | C2' | C3' | C4' | 21.2° | 37.4° |
| C1' | C2' | C3' | O3' | 138.2° | 157.1° |
| C1' | C2' | C3' | H3' | 101.5° | 81.3° |
| C2' | C1' | O4' | C4' | 19.7° | 7.2° |
| H1' | C1' | C2' | C3' | 124.2° | 146.6° |
| H1' | C1' | C2' | H2'1 | 4.2° | 90.4° |
| H1' | C1' | C2' | H2'2 | 114.2° | 30.3° |
| H1' | C1' | O4' | C4' | 100.5° | 127.1° |
| C3' | C2' | H2'1 | H2'2 | 121.7° | 120.3° |
| C2' | C3' | C4' | O3' | 116.1° | 119.0° |
| C2' | C3' | C4' | H3' | 123.6° | 117.8° |
| C2' | C3' | O3' | H3' | 124.0° | 122.5° |
| C2' | C3' | C4' | O4' | 31.9° | 34.4° |
| C2' | C3' | C4' | C5' | 142.6° | 154.6° |
| C2' | C3' | C4' | H4' | 96.6° | 82.7° |
| C2' | C3' | O3' | HO3' | 93.0° | 170.0° |
| H2'1 | C2' | C3' | C4' | 98.8° | 162.0° |
| H2'1 | C2' | C3' | O3' | 18.2° | 78.3° |
| H2'1 | C2' | C3' | H3' | 138.5° | 43.3° |
| H2'2 | C2' | C3' | C4' | 142.8° | 79.3° |
| H2'2 | C2' | C3' | O3' | 100.2° | 40.4° |
| H2'2 | C2' | C3' | H3' | 20.1° | 162.0° |
| C4' | C3' | O3' | H3' | 123.2° | 124.6° |
| C3' | C4' | O4' | C5' | 121.4° | 122.7° |
| C3' | C4' | O4' | H4' | 119.4° | 119.2° |
| C3' | C4' | C5' | H4' | 121.0° | 124.1° |
| C4' | C3' | O3' | HO3' | 154.3° | 77.1° |
| C3' | C4' | C5' | O5' | 128.2° | 179.5° |
| C3' | C4' | C5' | H5'1 | 111.8° | 59.9° |
| C3' | C4' | C5' | H5'2 | 5.5° | 61.0° |
| O3' | C3' | C4' | O4' | 148.0° | 153.4° |
| O3' | C3' | C4' | C5' | 101.4° | 86.4° |
| O3' | C3' | C4' | H4' | 19.4° | 36.3° |
| H3' | C3' | C4' | O4' | 91.6° | 83.5° |
| H3' | C3' | C4' | C5' | 19.0° | 36.7° |
| H3' | C3' | C4' | H4' | 139.8° | 159.5° |
| H3' | C3' | O3' | HO3' | 31.0° | 47.5° |
| O4' | C4' | C5' | H4' | 128.6° | 117.6° |
| O4' | C4' | C5' | O5' | 121.4° | 61.3° |
| O4' | C4' | C5' | H5'1 | 1.4° | 58.3° |
| O4' | C4' | C5' | H5'2 | 115.9° | 179.2° |
| C4' | C5' | O5' | H5'1 | 120.0° | 120.7° |
| C4' | C5' | O5' | H5'2 | 122.7° | 120.6° |
| C4' | C5' | H5'1 | H5'2 | 123.1° | 121.8° |
| C4' | C5' | O5' | PA | 176.4° | 120.0° |
| H4' | C4' | C5' | O5' | 7.2° | 56.3° |
| H4' | C4' | C5' | H5'1 | 127.2° | 175.9° |
| H4' | C4' | C5' | H5'2 | 115.5° | 63.2° |
| O5' | C5' | H5'1 | H5'2 | 123.1° | 118.5° |
| C5' | O5' | PA | O2A | 168.3° | 60.0° |
| C5' | O5' | PA | O1A | 43.8° | 174.0° |
| C5' | O5' | PA | O3A | 74.8° | 65.9° |
| H5'1 | C5' | O5' | PA | 56.4° | 0.7° |
| H5'2 | C5' | O5' | PA | 60.8° | 119.3° |
| O5' | PA | O2A | O1A | 124.4° | 120.7° |
| O5' | PA | O2A | O3A | 115.4° | 120.7° |
| O5' | PA | O1A | O3A | 115.4° | 109.0° |
| O5' | PA | O1A | HO1A | 101.6° | 80.1° |
| O5' | PA | O3A | PB | 163.8° | 173.7° |
| O2A | PA | O1A | O3A | 118.8° | 124.7° |
| O2A | PA | O1A | HO1A | 24.2° | 46.2° |
| O2A | PA | O3A | PB | 75.6° | 60.0° |
| O1A | PA | O3A | PB | 45.0° | 64.8° |
| O3A | PA | O1A | HO1A | 143.0° | 170.9° |
| PA | O3A | PB | O2B | 42.6° | 60.0° |
| PA | O3A | PB | O3B | 67.2° | 174.7° |
| PA | O3A | PB | O1B | 164.0° | 67.0° |
| O3A | PB | O2B | O3B | 109.4° | 118.0° |
| O3A | PB | O2B | O1B | 129.5° | 121.5° |
| O3A | PB | O3B | O1B | 131.8° | 108.0° |
| O3A | PB | O1B | HO1B | 177.1° | 176.2° |
| O3A | PB | O3B | PG | 136.6° | 174.3° |
| O2B | PB | O3B | O1B | 114.8° | 126.3° |
| O2B | PB | O1B | HO1B | 60.0° | 48.7° |
| O2B | PB | O3B | PG | 23.2° | 60.0° |
| O3B | PB | O1B | HO1B | 53.7° | 77.7° |
| PB | O3B | PG | O1G | 128.0° | 60.0° |
| PB | O3B | PG | O3G | 7.3° | 65.9° |
| PB | O3B | PG | O2G | 108.9° | 173.5° |
| O1B | PB | O3B | PG | 91.6° | 66.3° |
| O3B | PG | O1G | O3G | 120.6° | 119.4° |
| O3B | PG | O1G | O2G | 118.0° | 120.2° |
| O3B | PG | O3G | O2G | 113.6° | 107.6° |
| O3B | PG | O2G | HO2G | 155.5° | 174.5° |
| O3B | PG | O3G | HO3G | 128.6° | 173.9° |
| O1G | PG | O3G | O2G | 124.2° | 126.7° |
| O1G | PG | O2G | HO2G | 33.5° | 48.4° |
| O1G | PG | O3G | HO3G | 6.3° | 48.2° |
| O3G | PG | O2G | HO2G | 88.2° | 78.2° |
| O2G | PG | O3G | HO3G | 117.8° | 78.5° |
