O02
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | N4 | sing | 1.37Å | 1.41Å | |
| N4 | C2 | sing | 1.39Å | 1.38Å | |
| C2 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C6 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C1' | N9 | sing | 1.47Å | 1.47Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.39Å | Aromatic |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C5' | O5' | sing | 1.43Å | 1.45Å | |
| O5' | PA | sing | 1.61Å | 1.58Å | |
| O2A | PA | doub | 1.48Å | 1.57Å | |
| PA | O1A | sing | 1.61Å | 1.50Å | |
| PA | C3A | sing | 1.82Å | 1.80Å | |
| O3B | PB | doub | 1.48Å | 1.54Å | |
| C3A | PB | sing | 1.82Å | 1.79Å | |
| PB | O1B | sing | 1.61Å | 1.49Å | |
| PB | O2B | sing | 1.61Å | 1.54Å | |
| O1B | H1 | sing | 0.97Å | 0.95Å | |
| O2B | 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' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | 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 | H5 | sing | 1.08Å | 1.08Å | |
| N6 | H61 | sing | 0.97Å | 1.00Å | |
| N6 | H62 | sing | 0.97Å | 1.00Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| N5 | H12 | sing | 1.01Å | 1.00Å | |
| N5 | H11 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | N4 | C2 | 128.2° | 120.0° |
| N5 | N4 | H4 | 104.6° | 120.0° |
| N4 | N5 | H12 | 109.5° | 111.0° |
| N4 | N5 | H11 | 109.5° | 111.0° |
| N4 | C2 | N3 | 118.7° | 118.8° |
| N4 | C2 | N1 | 114.3° | 118.9° |
| C2 | N4 | H4 | 104.6° | 120.0° |
| N3 | C2 | N1 | 127.0° | 122.3° |
| C2 | N3 | C4 | 111.9° | 120.5° |
| C2 | N1 | C6 | 119.1° | 121.1° |
| N3 | C4 | N9 | 127.6° | 134.8° |
| N3 | C4 | C5 | 126.7° | 119.2° |
| O2' | C2' | C1' | 108.3° | 110.9° |
| O2' | C2' | C3' | 112.1° | 111.0° |
| O2' | C2' | H2' | 112.2° | 110.9° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| N1 | C6 | C5 | 118.8° | 118.6° |
| N1 | C6 | N6 | 117.4° | 120.7° |
| N9 | C4 | C5 | 105.6° | 106.0° |
| C4 | N9 | C1' | 127.5° | 126.2° |
| C4 | N9 | C8 | 105.7° | 107.4° |
| C4 | C5 | C6 | 116.5° | 118.3° |
| C4 | C5 | N7 | 110.8° | 107.2° |
| C1' | C2' | C3' | 102.8° | 102.0° |
| C2' | C1' | N9 | 114.9° | 110.6° |
| C2' | C1' | O4' | 107.4° | 103.5° |
| C1' | C2' | H2' | 110.5° | 110.9° |
| C2' | C1' | H1' | 107.4° | 110.6° |
| C2' | C3' | O3' | 113.0° | 110.6° |
| C2' | C3' | C4' | 102.8° | 104.2° |
| C2' | C3' | H3' | 109.7° | 110.5° |
| C3' | C2' | H2' | 110.5° | 110.8° |
| C5 | C6 | N6 | 123.9° | 120.7° |
| C6 | C5 | N7 | 132.7° | 134.5° |
| C6 | N6 | H61 | 109.5° | 120.0° |
| C6 | N6 | H62 | 109.4° | 120.1° |
| N9 | C1' | O4' | 110.0° | 110.6° |
| C1' | N9 | C8 | 126.8° | 126.3° |
| N9 | C1' | H1' | 108.2° | 110.5° |
| C1' | O4' | C4' | 110.3° | 107.0° |
| O4' | C1' | H1' | 108.8° | 110.7° |
| N9 | C8 | N7 | 114.2° | 110.0° |
| N9 | C8 | H5 | 122.9° | 125.0° |
| C5 | N7 | C8 | 103.7° | 109.4° |
| O3' | C3' | C4' | 109.7° | 110.5° |
| O3' | C3' | H3' | 111.4° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | O4' | 104.7° | 107.4° |
| C3' | C4' | C5' | 113.9° | 109.9° |
| C3' | C4' | H4' | 108.6° | 109.9° |
| C4' | C3' | H3' | 109.9° | 110.5° |
| O4' | C4' | C5' | 111.2° | 109.9° |
| O4' | C4' | H4' | 109.6° | 109.9° |
| C4' | C5' | O5' | 111.1° | 109.5° |
| C4' | C5' | H5'1 | 109.1° | 109.5° |
| C4' | C5' | H5'2 | 109.1° | 109.4° |
| C5' | C4' | H4' | 108.7° | 109.9° |
| N7 | C8 | H5 | 122.9° | 125.0° |
| C5' | O5' | PA | 124.5° | 123.0° |
| O5' | C5' | H5'1 | 109.1° | 109.5° |
| O5' | C5' | H5'2 | 109.1° | 109.5° |
| O5' | PA | O2A | 111.3° | 109.5° |
| O5' | PA | O1A | 110.6° | 109.4° |
| O5' | PA | C3A | 99.2° | 109.5° |
| O2A | PA | O1A | 109.1° | 109.4° |
| O2A | PA | C3A | 105.9° | 109.5° |
| O1A | PA | C3A | 120.3° | 109.5° |
| PA | O1A | H3 | 109.5° | 114.0° |
| PA | C3A | PB | 112.2° | 109.5° |
| PA | C3A | H3A2 | 108.7° | 109.5° |
| PA | C3A | H3A1 | 108.8° | 109.4° |
| O3B | PB | C3A | 108.0° | 109.5° |
| O3B | PB | O1B | 108.5° | 109.4° |
| O3B | PB | O2B | 107.1° | 109.5° |
| C3A | PB | O1B | 109.2° | 109.5° |
| C3A | PB | O2B | 107.7° | 109.5° |
| PB | C3A | H3A2 | 108.8° | 109.5° |
| PB | C3A | H3A1 | 108.8° | 109.5° |
| O1B | PB | O2B | 116.0° | 109.5° |
| PB | O1B | H1 | 109.5° | 114.0° |
| PB | O2B | H2 | 109.5° | 114.0° |
| H3A2 | C3A | H3A1 | 109.5° | 109.5° |
| H5'1 | C5' | H5'2 | 109.4° | 109.4° |
| H61 | N6 | H62 | 109.5° | 119.9° |
| H12 | N5 | H11 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | N4 | C2 | H4 | 122.5° | 180.0° |
| N5 | N4 | C2 | N3 | 0.9° | 180.0° |
| N5 | N4 | C2 | N1 | 179.9° | 0.3° |
| N4 | N5 | H12 | H11 | 120.0° | 124.0° |
| N4 | C2 | N3 | N1 | 179.1° | 179.7° |
| N4 | C2 | N3 | C4 | 178.7° | 180.0° |
| N4 | C2 | N1 | C6 | 178.7° | 179.7° |
| C2 | N4 | N5 | H12 | 180.0° | 56.0° |
| C2 | N4 | N5 | H11 | 60.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.4° | 0.0° |
| C2 | N3 | C4 | N9 | 178.4° | 179.7° |
| C2 | N3 | C4 | C5 | 0.2° | 0.5° |
| N3 | C2 | N4 | H4 | 123.3° | 0.0° |
| N1 | C2 | N3 | C4 | 0.5° | 0.3° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| C2 | N1 | C6 | N6 | 179.7° | 180.0° |
| N1 | C2 | N4 | H4 | 57.4° | 179.7° |
| N3 | C4 | N9 | C5 | 178.8° | 179.2° |
| N3 | C4 | C5 | C6 | 0.1° | 0.5° |
| N3 | C4 | N9 | C1' | 0.6° | 0.7° |
| N3 | C4 | N9 | C8 | 179.1° | 179.6° |
| N3 | C4 | C5 | N7 | 179.1° | 179.7° |
| O2' | C2' | C1' | C3' | 118.8° | 118.2° |
| O2' | C2' | C1' | H2' | 123.3° | 123.7° |
| O2' | C2' | C3' | H2' | 126.0° | 123.6° |
| O2' | C2' | C1' | N9 | 137.6° | 86.3° |
| O2' | C2' | C1' | O4' | 99.7° | 155.2° |
| O2' | C2' | C3' | O3' | 33.8° | 20.3° |
| O2' | C2' | C3' | C4' | 84.4° | 139.0° |
| O2' | C2' | C3' | H3' | 158.7° | 102.3° |
| O2' | C2' | C1' | H1' | 17.2° | 36.6° |
| N1 | C6 | C5 | C4 | 0.1° | 0.2° |
| N1 | C6 | C5 | N6 | 179.8° | 180.0° |
| N1 | C6 | C5 | N7 | 178.8° | 179.9° |
| N1 | C6 | N6 | H61 | 0.0° | 179.9° |
| N1 | C6 | N6 | H62 | 120.0° | 0.0° |
| C4 | N9 | C1' | C2' | 91.7° | 84.7° |
| N9 | C4 | C5 | C6 | 178.9° | 179.9° |
| C4 | N9 | C1' | C8 | 178.2° | 179.7° |
| C4 | N9 | C1' | O4' | 147.0° | 161.2° |
| N9 | C4 | C5 | N7 | 0.3° | 0.4° |
| C4 | N9 | C8 | N7 | 0.3° | 0.2° |
| C4 | N9 | C1' | H1' | 28.3° | 38.2° |
| C4 | N9 | C8 | H5 | 179.7° | 179.8° |
| C4 | C5 | C6 | N7 | 178.9° | 179.7° |
| C4 | C5 | C6 | N6 | 179.9° | 179.8° |
| C5 | C4 | N9 | C1' | 178.2° | 179.9° |
| C5 | C4 | N9 | C8 | 0.3° | 0.4° |
| C4 | C5 | N7 | C8 | 0.1° | 0.2° |
| C1' | C2' | C3' | H2' | 117.9° | 118.2° |
| C2' | C1' | N9 | O4' | 121.3° | 114.1° |
| C2' | C1' | N9 | H1' | 120.0° | 122.9° |
| C2' | C1' | O4' | H1' | 115.9° | 118.6° |
| C2' | C1' | N9 | C8 | 90.1° | 95.0° |
| C1' | C2' | C3' | O3' | 149.9° | 97.9° |
| C1' | C2' | C3' | C4' | 31.8° | 20.9° |
| C2' | C1' | O4' | C4' | 2.0° | 40.0° |
| C1' | C2' | C3' | H3' | 85.2° | 139.5° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C3' | C2' | C1' | N9 | 103.5° | 155.5° |
| C3' | C2' | C1' | O4' | 19.2° | 37.0° |
| C2' | C3' | O3' | C4' | 114.1° | 114.8° |
| C2' | C3' | O3' | H3' | 124.0° | 122.6° |
| C2' | C3' | C4' | H3' | 116.8° | 118.7° |
| C2' | C3' | C4' | O4' | 33.7° | 2.0° |
| C2' | C3' | C4' | C5' | 155.4° | 121.5° |
| C2' | C3' | C4' | H4' | 83.4° | 117.5° |
| C2' | C3' | O3' | HO3' | 180.0° | 65.2° |
| C3' | C2' | O2' | HO2' | 67.3° | 67.3° |
| C3' | C2' | C1' | H1' | 136.0° | 81.7° |
| C6 | C5 | N7 | C8 | 178.9° | 180.0° |
| C5 | C6 | N6 | H61 | 179.8° | 0.1° |
| C5 | C6 | N6 | H62 | 59.8° | 180.0° |
| N6 | C6 | C5 | N7 | 1.0° | 0.0° |
| C6 | N6 | H61 | H62 | 120.0° | 179.9° |
| N9 | C1' | O4' | H1' | 118.3° | 122.9° |
| N9 | C1' | O4' | C4' | 127.7° | 158.5° |
| C1' | N9 | C8 | N7 | 178.2° | 180.0° |
| N9 | C1' | C2' | H2' | 14.4° | 37.4° |
| C1' | N9 | C8 | H5 | 1.8° | 0.0° |
| O4' | C1' | N9 | C8 | 31.2° | 19.1° |
| C1' | O4' | C4' | C3' | 22.7° | 26.5° |
| C1' | O4' | C4' | C5' | 146.1° | 146.0° |
| C1' | O4' | C4' | H4' | 93.7° | 93.0° |
| O4' | C1' | C2' | H2' | 137.1° | 81.1° |
| N9 | C8 | N7 | C5 | 0.1° | 0.0° |
| N9 | C8 | N7 | H5 | 180.0° | 180.0° |
| C8 | N9 | C1' | H1' | 149.9° | 142.2° |
| C5 | N7 | C8 | H5 | 179.9° | 180.0° |
| O3' | C3' | C4' | H3' | 122.8° | 122.5° |
| O3' | C3' | C4' | O4' | 154.1° | 120.8° |
| O3' | C3' | C4' | C5' | 84.2° | 119.8° |
| O3' | C3' | C4' | H4' | 37.1° | 1.2° |
| O3' | C3' | C2' | H2' | 92.2° | 144.0° |
| C3' | C4' | O4' | C5' | 123.4° | 119.5° |
| C3' | C4' | O4' | H4' | 116.4° | 119.5° |
| C3' | C4' | C5' | H4' | 121.2° | 121.0° |
| C3' | C4' | C5' | O5' | 172.6° | 175.3° |
| C3' | C4' | C5' | H5'1 | 52.3° | 64.6° |
| C3' | C4' | C5' | H5'2 | 67.1° | 55.3° |
| C4' | C3' | O3' | HO3' | 65.9° | 180.0° |
| C4' | C3' | C2' | H2' | 149.7° | 97.3° |
| O4' | C4' | C5' | H4' | 120.8° | 121.0° |
| O4' | C4' | C5' | O5' | 69.4° | 66.7° |
| O4' | C4' | C5' | H5'1 | 170.4° | 53.3° |
| O4' | C4' | C5' | H5'2 | 50.9° | 173.3° |
| O4' | C4' | C3' | H3' | 83.1° | 116.7° |
| C4' | O4' | C1' | H1' | 114.0° | 78.6° |
| C4' | C5' | O5' | H5'1 | 120.3° | 120.0° |
| C4' | C5' | O5' | H5'2 | 120.3° | 120.0° |
| C4' | C5' | O5' | PA | 155.2° | 180.0° |
| C4' | C5' | H5'1 | H5'2 | 119.3° | 119.9° |
| C5' | C4' | C3' | H3' | 38.6° | 2.8° |
| C5' | O5' | PA | O2A | 56.9° | 54.9° |
| C5' | O5' | PA | O1A | 178.4° | 65.0° |
| C5' | O5' | PA | C3A | 54.2° | 175.0° |
| O5' | C5' | H5'1 | H5'2 | 119.2° | 120.0° |
| O5' | C5' | C4' | H4' | 51.4° | 54.3° |
| O5' | PA | O2A | O1A | 122.3° | 119.9° |
| O5' | PA | O2A | C3A | 106.9° | 120.0° |
| O5' | PA | O1A | C3A | 114.7° | 120.0° |
| O5' | PA | C3A | PB | 64.5° | 180.0° |
| O5' | PA | O1A | H3 | 122.8° | 60.0° |
| O5' | PA | C3A | H3A2 | 175.1° | 60.0° |
| O5' | PA | C3A | H3A1 | 55.9° | 60.0° |
| PA | O5' | C5' | H5'1 | 34.9° | 60.0° |
| PA | O5' | C5' | H5'2 | 84.6° | 60.0° |
| O2A | PA | O1A | C3A | 122.5° | 120.0° |
| O2A | PA | C3A | PB | 179.9° | 60.0° |
| O2A | PA | O1A | H3 | 0.0° | 180.0° |
| O2A | PA | C3A | H3A2 | 59.7° | 180.0° |
| O2A | PA | C3A | H3A1 | 59.5° | 60.0° |
| O1A | PA | C3A | PB | 56.0° | 60.0° |
| O1A | PA | C3A | H3A2 | 64.4° | 60.0° |
| O1A | PA | C3A | H3A1 | 176.4° | 180.0° |
| PA | C3A | PB | O3B | 52.5° | 60.0° |
| PA | C3A | PB | H3A2 | 120.4° | 120.0° |
| PA | C3A | PB | H3A1 | 120.4° | 119.9° |
| PA | C3A | PB | O1B | 65.3° | 60.0° |
| PA | C3A | PB | O2B | 167.9° | 180.0° |
| C3A | PA | O1A | H3 | 122.5° | 60.0° |
| PA | C3A | H3A2 | H3A1 | 118.7° | 120.0° |
| O3B | PB | C3A | O1B | 117.9° | 120.0° |
| O3B | PB | C3A | O2B | 115.3° | 120.0° |
| O3B | PB | O1B | O2B | 120.5° | 120.0° |
| O3B | PB | O1B | H1 | 0.0° | 180.0° |
| O3B | PB | O2B | H2 | 0.0° | 60.0° |
| O3B | PB | C3A | H3A2 | 172.9° | 179.9° |
| O3B | PB | C3A | H3A1 | 67.9° | 60.0° |
| C3A | PB | O1B | O2B | 121.9° | 120.0° |
| C3A | PB | O1B | H1 | 117.5° | 60.1° |
| C3A | PB | O2B | H2 | 116.0° | 180.0° |
| PB | C3A | H3A2 | H3A1 | 118.8° | 120.0° |
| O1B | PB | O2B | H2 | 121.3° | 60.0° |
| O1B | PB | C3A | H3A2 | 55.0° | 60.0° |
| O1B | PB | C3A | H3A1 | 174.3° | 179.9° |
| O2B | PB | O1B | H1 | 120.5° | 60.0° |
| O2B | PB | C3A | H3A2 | 71.8° | 60.0° |
| O2B | PB | C3A | H3A1 | 47.5° | 60.1° |
| H5'1 | C5' | C4' | H4' | 68.9° | 174.3° |
| H5'2 | C5' | C4' | H4' | 171.6° | 65.7° |
| H4' | C4' | C3' | H3' | 159.8° | 123.8° |
| H3' | C3' | O3' | HO3' | 56.0° | 57.4° |
| H3' | C3' | C2' | H2' | 32.7° | 21.4° |
| H2' | C2' | O2' | HO2' | 57.8° | 56.3° |
| H2' | C2' | C1' | H1' | 106.0° | 160.3° |
| H4 | N4 | N5 | H12 | 57.5° | 124.0° |
| H4 | N4 | N5 | H11 | 62.5° | 0.0° |
