NYW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C2 | sing | 1.39Å | 1.34Å | |
| C2 | N1 | doub | 1.33Å | 1.37Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.36Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.36Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| C2' | C1' | sing | 1.55Å | 1.54Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C5 | N7 | sing | 1.36Å | 1.39Å | Aromatic |
| C1' | N9 | sing | 1.47Å | 1.46Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| O4' | C4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| O5' | PA | sing | 1.61Å | 1.57Å | |
| O2A | PA | doub | 1.48Å | 1.56Å | |
| PA | O1A | sing | 1.61Å | 1.51Å | |
| PA | C3A | sing | 1.82Å | 1.80Å | |
| O2B | PB | doub | 1.48Å | 1.54Å | |
| C3A | PB | sing | 1.82Å | 1.80Å | |
| PB | O3B | sing | 1.61Å | 1.54Å | |
| PB | O1B | sing | 1.61Å | 1.49Å | |
| O1B | H1 | sing | 0.97Å | 0.95Å | |
| O3B | H2 | sing | 0.97Å | 0.95Å | |
| O1A | H3 | sing | 0.97Å | 0.95Å | |
| C3A | H3A2 | sing | 1.09Å | 1.10Å | |
| C3A | H3A1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| 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 | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C2 | N1 | 116.9° | 118.8° |
| N2 | C2 | N3 | 116.7° | 118.9° |
| C2 | N2 | H22 | 109.5° | 120.0° |
| C2 | N2 | H21 | 109.5° | 120.0° |
| N1 | C2 | N3 | 126.4° | 122.3° |
| C2 | N1 | C6 | 118.0° | 121.1° |
| C2 | N3 | C4 | 113.0° | 120.6° |
| N1 | C6 | N6 | 116.9° | 120.7° |
| N1 | C6 | C5 | 119.6° | 118.6° |
| N3 | C4 | C5 | 126.6° | 119.2° |
| N3 | C4 | N9 | 127.6° | 134.9° |
| O2' | C2' | C1' | 109.8° | 110.9° |
| O2' | C2' | C3' | 113.8° | 111.0° |
| O2' | C2' | H2' | 111.0° | 110.9° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| N6 | C6 | C5 | 123.6° | 120.7° |
| C6 | N6 | HN61 | 109.5° | 120.0° |
| C6 | N6 | HN62 | 109.5° | 120.0° |
| C6 | C5 | C4 | 116.4° | 118.3° |
| C6 | C5 | N7 | 132.8° | 134.6° |
| C5 | C4 | N9 | 105.8° | 106.0° |
| C4 | C5 | N7 | 110.8° | 107.2° |
| C4 | N9 | C1' | 126.9° | 126.3° |
| C4 | N9 | C8 | 105.7° | 107.5° |
| C1' | C2' | C3' | 103.3° | 102.1° |
| C2' | C1' | N9 | 113.6° | 110.6° |
| C2' | C1' | O4' | 107.6° | 103.5° |
| C1' | C2' | H2' | 109.3° | 110.8° |
| C2' | C1' | H1' | 107.7° | 110.6° |
| C2' | C3' | O3' | 115.3° | 110.6° |
| C2' | C3' | C4' | 102.6° | 104.2° |
| C2' | C3' | H3' | 108.5° | 110.5° |
| C3' | C2' | H2' | 109.3° | 110.9° |
| C5 | N7 | C8 | 103.7° | 109.4° |
| N9 | C1' | O4' | 110.0° | 110.7° |
| C1' | N9 | C8 | 127.4° | 126.2° |
| N9 | C1' | H1' | 108.6° | 110.6° |
| C1' | O4' | C4' | 108.1° | 107.0° |
| O4' | C1' | H1' | 109.2° | 110.7° |
| N9 | C8 | N7 | 114.0° | 109.9° |
| N9 | C8 | H8 | 123.0° | 125.1° |
| O3' | C3' | C4' | 111.4° | 110.5° |
| O3' | C3' | H3' | 110.0° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | O4' | 103.5° | 107.4° |
| C3' | C4' | C5' | 113.9° | 109.9° |
| C3' | C4' | H4' | 108.8° | 109.9° |
| C4' | C3' | H3' | 108.7° | 110.4° |
| N7 | C8 | H8 | 123.0° | 125.0° |
| O4' | C4' | C5' | 111.5° | 109.9° |
| O4' | C4' | H4' | 109.9° | 109.8° |
| C4' | C5' | O5' | 111.6° | 109.5° |
| C4' | C5' | H5'2 | 108.9° | 109.5° |
| C4' | C5' | H5'1 | 108.9° | 109.5° |
| C5' | C4' | H4' | 109.0° | 109.9° |
| C5' | O5' | PA | 122.1° | 123.0° |
| O5' | C5' | H5'2 | 108.9° | 109.5° |
| O5' | C5' | H5'1 | 108.9° | 109.5° |
| O5' | PA | O2A | 109.5° | 109.4° |
| O5' | PA | O1A | 112.2° | 109.5° |
| O5' | PA | C3A | 102.0° | 109.5° |
| O2A | PA | O1A | 106.9° | 109.5° |
| O2A | PA | C3A | 104.6° | 109.5° |
| O1A | PA | C3A | 121.0° | 109.5° |
| PA | O1A | H3 | 109.5° | 114.0° |
| PA | C3A | PB | 117.7° | 109.4° |
| PA | C3A | H3A2 | 107.4° | 109.4° |
| PA | C3A | H3A1 | 107.4° | 109.4° |
| O2B | PB | C3A | 105.9° | 109.5° |
| O2B | PB | O3B | 106.8° | 109.5° |
| O2B | PB | O1B | 112.4° | 109.5° |
| C3A | PB | O3B | 107.3° | 109.4° |
| C3A | PB | O1B | 113.1° | 109.5° |
| PB | C3A | H3A2 | 107.4° | 109.5° |
| PB | C3A | H3A1 | 107.4° | 109.5° |
| O3B | PB | O1B | 111.0° | 109.5° |
| PB | O3B | H2 | 109.5° | 114.0° |
| PB | O1B | H1 | 109.5° | 114.0° |
| H3A2 | C3A | H3A1 | 109.5° | 109.5° |
| H5'2 | C5' | H5'1 | 109.5° | 109.4° |
| HN61 | N6 | HN62 | 109.5° | 120.0° |
| H22 | N2 | H21 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C2 | N1 | N3 | 179.0° | 180.0° |
| N2 | C2 | N1 | C6 | 179.1° | 180.0° |
| N2 | C2 | N3 | C4 | 178.9° | 179.7° |
| C2 | N2 | H22 | H21 | 120.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.0° | 0.3° |
| C2 | N1 | C6 | N6 | 178.9° | 180.0° |
| C2 | N1 | C6 | C5 | 0.3° | 0.3° |
| N1 | C2 | N2 | H22 | 0.0° | 0.1° |
| N1 | C2 | N2 | H21 | 120.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.2° | 0.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.2° |
| C2 | N3 | C4 | N9 | 178.4° | 179.7° |
| N3 | C2 | N2 | H22 | 179.1° | 179.9° |
| N3 | C2 | N2 | H21 | 60.9° | 0.0° |
| N1 | C6 | N6 | C5 | 179.2° | 179.7° |
| N1 | C6 | C5 | C4 | 0.2° | 0.3° |
| N1 | C6 | C5 | N7 | 178.6° | 179.7° |
| N1 | C6 | N6 | HN61 | 0.0° | 179.8° |
| N1 | C6 | N6 | HN62 | 120.0° | 0.3° |
| N3 | C4 | C5 | C6 | 0.0° | 0.0° |
| N3 | C4 | C5 | N9 | 178.8° | 180.0° |
| N3 | C4 | C5 | N7 | 179.1° | 180.0° |
| N3 | C4 | N9 | C1' | 3.7° | 0.0° |
| N3 | C4 | N9 | C8 | 178.9° | 180.0° |
| O2' | C2' | C1' | C3' | 121.7° | 118.3° |
| O2' | C2' | C1' | H2' | 122.0° | 123.6° |
| O2' | C2' | C3' | H2' | 124.7° | 123.7° |
| O2' | C2' | C1' | N9 | 120.7° | 86.2° |
| O2' | C2' | C1' | O4' | 117.3° | 155.2° |
| O2' | C2' | C3' | O3' | 27.7° | 20.4° |
| O2' | C2' | C3' | C4' | 93.6° | 139.1° |
| O2' | C2' | C3' | H3' | 151.5° | 102.3° |
| O2' | C2' | C1' | H1' | 0.4° | 36.7° |
| N6 | C6 | C5 | C4 | 179.0° | 180.0° |
| N6 | C6 | C5 | N7 | 2.2° | 0.0° |
| C6 | N6 | HN61 | HN62 | 120.0° | 179.9° |
| C6 | C5 | C4 | N7 | 179.1° | 180.0° |
| C6 | C5 | C4 | N9 | 178.8° | 180.0° |
| C6 | C5 | N7 | C8 | 178.6° | 180.0° |
| C5 | C6 | N6 | HN61 | 179.2° | 0.0° |
| C5 | C6 | N6 | HN62 | 60.8° | 180.0° |
| C5 | C4 | N9 | C1' | 177.5° | 180.0° |
| C5 | C4 | N9 | C8 | 0.2° | 0.0° |
| C4 | C5 | N7 | C8 | 0.3° | 0.0° |
| C4 | N9 | C1' | C2' | 89.6° | 85.0° |
| N9 | C4 | C5 | N7 | 0.3° | 0.0° |
| C4 | N9 | C1' | C8 | 176.8° | 180.0° |
| C4 | N9 | C1' | O4' | 149.7° | 160.9° |
| C4 | N9 | C8 | N7 | 0.0° | 0.0° |
| C4 | N9 | C1' | H1' | 30.2° | 37.9° |
| C4 | N9 | C8 | H8 | 180.0° | 180.0° |
| C1' | C2' | C3' | H2' | 116.3° | 118.1° |
| C2' | C1' | N9 | O4' | 120.6° | 114.1° |
| C2' | C1' | N9 | H1' | 119.8° | 122.9° |
| C2' | C1' | O4' | H1' | 116.7° | 118.5° |
| C2' | C1' | N9 | C8 | 87.2° | 95.0° |
| C1' | C2' | C3' | O3' | 146.7° | 97.8° |
| C1' | C2' | C3' | C4' | 25.4° | 20.9° |
| C2' | C1' | O4' | C4' | 20.0° | 39.9° |
| C1' | C2' | C3' | H3' | 89.5° | 139.5° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C3' | C2' | C1' | N9 | 117.6° | 155.5° |
| C3' | C2' | C1' | O4' | 4.4° | 37.0° |
| C2' | C3' | O3' | C4' | 116.4° | 114.9° |
| C2' | C3' | O3' | H3' | 123.0° | 122.6° |
| C2' | C3' | C4' | H3' | 114.7° | 118.6° |
| C2' | C3' | C4' | O4' | 37.8° | 1.9° |
| C2' | C3' | C4' | C5' | 159.0° | 121.4° |
| C2' | C3' | C4' | H4' | 79.2° | 117.5° |
| C2' | C3' | O3' | HO3' | 180.0° | 65.2° |
| C3' | C2' | O2' | HO2' | 64.8° | 67.3° |
| C3' | C2' | C1' | H1' | 122.0° | 81.6° |
| C5 | N7 | C8 | N9 | 0.2° | 0.0° |
| C5 | N7 | C8 | H8 | 179.8° | 180.0° |
| N9 | C1' | O4' | H1' | 119.2° | 122.9° |
| C1' | N9 | C8 | N7 | 177.3° | 180.0° |
| N9 | C1' | O4' | C4' | 144.2° | 158.4° |
| N9 | C1' | C2' | H2' | 1.2° | 37.4° |
| C1' | N9 | C8 | H8 | 2.7° | 0.0° |
| O4' | C1' | N9 | C8 | 33.5° | 19.1° |
| C1' | O4' | C4' | C3' | 36.5° | 26.4° |
| C1' | O4' | C4' | C5' | 159.4° | 145.9° |
| C1' | O4' | C4' | H4' | 79.6° | 93.0° |
| O4' | C1' | C2' | H2' | 120.8° | 81.2° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C8 | N9 | C1' | H1' | 153.0° | 142.1° |
| O3' | C3' | C4' | H3' | 121.3° | 122.6° |
| O3' | C3' | C4' | O4' | 161.7° | 120.7° |
| O3' | C3' | C4' | C5' | 77.1° | 119.8° |
| O3' | C3' | C4' | H4' | 44.8° | 1.3° |
| O3' | C3' | C2' | H2' | 97.0° | 144.1° |
| C3' | C4' | O4' | C5' | 122.8° | 119.5° |
| C3' | C4' | O4' | H4' | 116.2° | 119.4° |
| C3' | C4' | C5' | H4' | 121.8° | 121.0° |
| C3' | C4' | C5' | O5' | 177.7° | 175.3° |
| C3' | C4' | C5' | H5'2 | 62.0° | 64.7° |
| C3' | C4' | C5' | H5'1 | 57.4° | 55.3° |
| C4' | C3' | O3' | HO3' | 63.6° | 179.9° |
| C4' | C3' | C2' | H2' | 141.7° | 97.2° |
| O4' | C4' | C5' | H4' | 121.6° | 121.0° |
| O4' | C4' | C5' | O5' | 61.0° | 66.7° |
| O4' | C4' | C5' | H5'2 | 178.7° | 53.3° |
| O4' | C4' | C5' | H5'1 | 59.3° | 173.3° |
| O4' | C4' | C3' | H3' | 77.0° | 116.7° |
| C4' | O4' | C1' | H1' | 96.6° | 78.6° |
| C4' | C5' | O5' | H5'2 | 120.3° | 120.0° |
| C4' | C5' | O5' | H5'1 | 120.3° | 120.0° |
| C4' | C5' | O5' | PA | 160.8° | 180.0° |
| C4' | C5' | H5'2 | H5'1 | 119.0° | 120.0° |
| C5' | C4' | C3' | H3' | 44.2° | 2.8° |
| C5' | O5' | PA | O2A | 44.0° | 55.0° |
| C5' | O5' | PA | O1A | 162.6° | 65.0° |
| C5' | O5' | PA | C3A | 66.4° | 175.0° |
| O5' | C5' | H5'2 | H5'1 | 119.0° | 120.0° |
| O5' | C5' | C4' | H4' | 60.6° | 54.3° |
| O5' | PA | O2A | O1A | 121.8° | 120.0° |
| O5' | PA | O2A | C3A | 108.7° | 120.0° |
| O5' | PA | O1A | C3A | 120.5° | 120.0° |
| O5' | PA | C3A | PB | 56.8° | 180.0° |
| O5' | PA | O1A | H3 | 120.1° | 60.0° |
| O5' | PA | C3A | H3A2 | 177.9° | 60.0° |
| O5' | PA | C3A | H3A1 | 64.4° | 60.0° |
| PA | O5' | C5' | H5'2 | 40.5° | 60.0° |
| PA | O5' | C5' | H5'1 | 78.9° | 60.0° |
| O2A | PA | O1A | C3A | 119.4° | 120.0° |
| O2A | PA | C3A | PB | 170.9° | 60.0° |
| O2A | PA | O1A | H3 | 0.0° | 180.0° |
| O2A | PA | C3A | H3A2 | 67.9° | 179.9° |
| O2A | PA | C3A | H3A1 | 49.7° | 60.0° |
| O1A | PA | C3A | PB | 68.6° | 60.0° |
| O1A | PA | C3A | H3A2 | 52.6° | 60.0° |
| O1A | PA | C3A | H3A1 | 170.2° | 180.0° |
| PA | C3A | PB | O2B | 53.4° | 60.0° |
| PA | C3A | PB | H3A2 | 121.2° | 120.0° |
| PA | C3A | PB | H3A1 | 121.2° | 119.9° |
| PA | C3A | PB | O3B | 60.4° | 180.0° |
| PA | C3A | PB | O1B | 176.8° | 60.0° |
| C3A | PA | O1A | H3 | 119.4° | 60.0° |
| PA | C3A | H3A2 | H3A1 | 116.3° | 120.0° |
| O2B | PB | C3A | O3B | 113.8° | 120.0° |
| O2B | PB | C3A | O1B | 123.5° | 120.0° |
| O2B | PB | O3B | O1B | 122.9° | 120.0° |
| O2B | PB | O1B | H1 | 0.0° | 180.0° |
| O2B | PB | O3B | H2 | 0.0° | 60.0° |
| O2B | PB | C3A | H3A2 | 174.6° | 60.0° |
| O2B | PB | C3A | H3A1 | 67.8° | 180.0° |
| C3A | PB | O3B | O1B | 124.0° | 120.0° |
| C3A | PB | O1B | H1 | 119.8° | 60.0° |
| C3A | PB | O3B | H2 | 113.2° | 180.0° |
| PB | C3A | H3A2 | H3A1 | 116.2° | 120.1° |
| O3B | PB | O1B | H1 | 119.6° | 60.0° |
| O3B | PB | C3A | H3A2 | 60.7° | 60.0° |
| O3B | PB | C3A | H3A1 | 178.4° | 60.1° |
| O1B | PB | O3B | H2 | 122.8° | 60.0° |
| O1B | PB | C3A | H3A2 | 62.0° | 180.0° |
| O1B | PB | C3A | H3A1 | 55.6° | 59.9° |
| H5'2 | C5' | C4' | H4' | 59.7° | 174.3° |
| H5'1 | C5' | C4' | H4' | 179.1° | 65.8° |
| H4' | C4' | C3' | H3' | 166.1° | 123.9° |
| H3' | C3' | O3' | HO3' | 57.0° | 57.4° |
| H3' | C3' | C2' | H2' | 26.8° | 21.4° |
| H2' | C2' | O2' | HO2' | 59.0° | 56.4° |
| H2' | C2' | C1' | H1' | 121.6° | 160.3° |
