DOU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PG | O1G | doub | 1.48Å | 1.50Å | |
| PG | O2G | sing | 1.61Å | 1.54Å | |
| PG | O3G | sing | 1.61Å | 1.58Å | |
| PG | O3B | sing | 1.61Å | 1.62Å | |
| PB | O1B | doub | 1.48Å | 1.51Å | |
| PB | O2B | sing | 1.61Å | 1.56Å | |
| PB | O3B | sing | 1.61Å | 1.62Å | |
| PB | C3A | sing | 1.82Å | 1.83Å | |
| PA | O1A | doub | 1.48Å | 1.52Å | |
| PA | O2A | sing | 1.61Å | 1.57Å | |
| PA | C3A | sing | 1.82Å | 1.83Å | |
| PA | O5' | sing | 1.61Å | 1.57Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.55Å | 1.54Å | |
| C1' | N9 | sing | 1.47Å | 1.48Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.35Å | |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.33Å | Aromatic |
| O2G | H1 | sing | 0.97Å | 0.95Å | |
| O3G | H3 | sing | 0.97Å | 0.95Å | |
| O2B | H4 | sing | 0.97Å | 0.95Å | |
| O2A | H5 | 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 | H8 | sing | 1.08Å | 1.08Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | PG | O2G | 110.3° | 109.5° |
| O1G | PG | O3G | 116.6° | 109.5° |
| O1G | PG | O3B | 110.7° | 109.5° |
| O2G | PG | O3G | 109.1° | 109.4° |
| O2G | PG | O3B | 104.6° | 109.5° |
| PG | O2G | H1 | 109.5° | 114.0° |
| O3G | PG | O3B | 104.6° | 109.5° |
| PG | O3G | H3 | 109.5° | 114.0° |
| PG | O3B | PB | 112.5° | 134.0° |
| O1B | PB | O2B | 111.3° | 109.5° |
| O1B | PB | O3B | 108.6° | 109.5° |
| O1B | PB | C3A | 111.1° | 109.5° |
| O2B | PB | O3B | 106.9° | 109.4° |
| O2B | PB | C3A | 108.9° | 109.5° |
| PB | O2B | H4 | 109.5° | 114.0° |
| O3B | PB | C3A | 110.0° | 109.5° |
| PB | C3A | PA | 113.7° | 109.5° |
| PB | C3A | H3A2 | 108.4° | 109.4° |
| PB | C3A | H3A1 | 108.4° | 109.4° |
| O1A | PA | O2A | 106.2° | 109.5° |
| O1A | PA | C3A | 111.7° | 109.5° |
| O1A | PA | O5' | 115.1° | 109.5° |
| O2A | PA | C3A | 113.1° | 109.5° |
| O2A | PA | O5' | 102.9° | 109.4° |
| PA | O2A | H5 | 109.5° | 114.1° |
| C3A | PA | O5' | 107.7° | 109.5° |
| PA | C3A | H3A2 | 108.4° | 109.5° |
| PA | C3A | H3A1 | 108.4° | 109.5° |
| PA | O5' | C5' | 110.6° | 123.0° |
| O5' | C5' | C4' | 106.8° | 109.5° |
| O5' | C5' | H5'1 | 110.2° | 109.5° |
| O5' | C5' | H5'2 | 110.2° | 109.5° |
| C5' | C4' | O4' | 109.7° | 109.9° |
| C5' | C4' | C3' | 114.0° | 109.9° |
| C4' | C5' | H5'1 | 110.1° | 109.5° |
| C4' | C5' | H5'2 | 110.2° | 109.5° |
| C5' | C4' | H4' | 109.4° | 109.9° |
| O4' | C4' | C3' | 104.1° | 107.3° |
| C4' | O4' | C1' | 110.2° | 107.0° |
| O4' | C4' | H4' | 110.3° | 109.9° |
| C4' | C3' | O3' | 112.6° | 110.5° |
| C4' | C3' | C2' | 101.6° | 104.2° |
| C3' | C4' | H4' | 109.2° | 110.0° |
| C4' | C3' | H3' | 108.6° | 110.5° |
| O4' | C1' | C2' | 106.4° | 103.5° |
| O4' | C1' | N9 | 109.4° | 110.6° |
| O4' | C1' | H1' | 109.5° | 110.7° |
| O3' | C3' | C2' | 115.0° | 110.5° |
| O3' | C3' | H3' | 110.0° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 113.9° |
| C3' | C2' | O2' | 110.6° | 110.9° |
| C3' | C2' | C1' | 100.9° | 102.1° |
| C2' | C3' | H3' | 108.6° | 110.6° |
| C3' | C2' | H2' | 110.7° | 110.9° |
| O2' | C2' | C1' | 111.3° | 110.9° |
| O2' | C2' | H2' | 112.2° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C2' | C1' | N9 | 114.6° | 110.6° |
| C1' | C2' | H2' | 110.6° | 111.0° |
| C2' | C1' | H1' | 108.0° | 110.6° |
| C1' | N9 | C8 | 126.3° | 126.3° |
| C1' | N9 | C4 | 127.5° | 126.3° |
| N9 | C1' | H1' | 108.8° | 110.7° |
| C8 | N9 | C4 | 106.1° | 107.4° |
| N9 | C8 | N7 | 113.8° | 110.0° |
| N9 | C8 | H8 | 123.1° | 125.0° |
| N9 | C4 | C5 | 105.6° | 106.0° |
| N9 | C4 | N3 | 128.6° | 134.9° |
| C8 | N7 | C5 | 104.6° | 109.4° |
| N7 | C8 | H8 | 123.1° | 125.0° |
| N7 | C5 | C6 | 133.8° | 134.7° |
| N7 | C5 | C4 | 109.8° | 107.1° |
| C6 | C5 | C4 | 116.3° | 118.2° |
| C5 | C6 | N6 | 123.2° | 120.8° |
| C5 | C6 | N1 | 119.1° | 118.4° |
| C5 | C4 | N3 | 125.8° | 119.1° |
| N6 | C6 | N1 | 117.7° | 120.8° |
| C6 | N6 | HN62 | 109.5° | 120.0° |
| C6 | N6 | HN61 | 109.4° | 119.9° |
| C6 | N1 | C2 | 117.9° | 121.2° |
| N1 | C2 | N3 | 128.7° | 122.5° |
| N1 | C2 | H2 | 115.6° | 118.7° |
| C2 | N3 | C4 | 112.1° | 120.6° |
| N3 | C2 | H2 | 115.6° | 118.8° |
| H3A2 | C3A | H3A1 | 109.5° | 109.5° |
| H5'1 | C5' | H5'2 | 109.5° | 109.4° |
| HN62 | N6 | HN61 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O2G | O3G | 129.4° | 120.0° |
| O1G | PG | O2G | O3B | 119.2° | 120.1° |
| O1G | PG | O3G | O3B | 122.7° | 120.0° |
| O1G | PG | O3B | PB | 57.2° | 40.0° |
| O1G | PG | O2G | H1 | 0.0° | 59.9° |
| O1G | PG | O3G | H3 | 0.0° | 180.0° |
| O2G | PG | O3G | O3B | 111.5° | 120.0° |
| O2G | PG | O3B | PB | 176.1° | 160.0° |
| O2G | PG | O3G | H3 | 125.8° | 60.0° |
| O3G | PG | O3B | PB | 69.3° | 80.0° |
| O3G | PG | O2G | H1 | 129.4° | 60.0° |
| PG | O3B | PB | O1B | 52.4° | 60.0° |
| PG | O3B | PB | O2B | 172.6° | 60.0° |
| PG | O3B | PB | C3A | 69.4° | 180.0° |
| O3B | PG | O2G | H1 | 119.1° | 180.0° |
| O3B | PG | O3G | H3 | 122.7° | 60.0° |
| O1B | PB | O2B | O3B | 118.4° | 120.0° |
| O1B | PB | O2B | C3A | 122.8° | 120.0° |
| O1B | PB | O3B | C3A | 121.8° | 120.0° |
| O1B | PB | C3A | PA | 50.6° | 60.0° |
| O1B | PB | O2B | H4 | 0.0° | 180.0° |
| O1B | PB | C3A | H3A2 | 171.2° | 180.0° |
| O1B | PB | C3A | H3A1 | 70.0° | 60.0° |
| O2B | PB | O3B | C3A | 118.1° | 120.0° |
| O2B | PB | C3A | PA | 72.2° | 60.0° |
| O2B | PB | C3A | H3A2 | 48.3° | 60.0° |
| O2B | PB | C3A | H3A1 | 167.1° | 180.0° |
| O3B | PB | C3A | PA | 170.9° | 180.0° |
| O3B | PB | O2B | H4 | 118.4° | 60.0° |
| O3B | PB | C3A | H3A2 | 68.5° | 60.0° |
| O3B | PB | C3A | H3A1 | 50.3° | 60.0° |
| PB | C3A | PA | O1A | 167.4° | 60.0° |
| PB | C3A | PA | O2A | 72.9° | 60.1° |
| PB | C3A | PA | H3A2 | 120.6° | 120.0° |
| PB | C3A | PA | H3A1 | 120.6° | 120.0° |
| PB | C3A | PA | O5' | 40.0° | 180.0° |
| C3A | PB | O2B | H4 | 122.8° | 60.0° |
| PB | C3A | H3A2 | H3A1 | 118.1° | 119.9° |
| O1A | PA | O2A | C3A | 122.8° | 120.0° |
| O1A | PA | O2A | O5' | 121.3° | 120.0° |
| O1A | PA | C3A | O5' | 127.4° | 120.0° |
| O1A | PA | O5' | C5' | 4.2° | 55.0° |
| O1A | PA | O2A | H5 | 0.0° | 179.9° |
| O1A | PA | C3A | H3A2 | 46.8° | 180.0° |
| O1A | PA | C3A | H3A1 | 72.0° | 60.0° |
| O2A | PA | C3A | O5' | 113.0° | 119.9° |
| O2A | PA | O5' | C5' | 110.8° | 65.0° |
| O2A | PA | C3A | H3A2 | 166.4° | 59.9° |
| O2A | PA | C3A | H3A1 | 47.7° | 180.0° |
| C3A | PA | O5' | C5' | 129.5° | 175.0° |
| C3A | PA | O2A | H5 | 122.8° | 59.9° |
| PA | C3A | H3A2 | H3A1 | 118.1° | 120.1° |
| PA | O5' | C5' | C4' | 167.9° | 180.0° |
| O5' | PA | O2A | H5 | 121.3° | 60.1° |
| O5' | PA | C3A | H3A2 | 80.6° | 60.0° |
| O5' | PA | C3A | H3A1 | 160.7° | 60.0° |
| PA | O5' | C5' | H5'1 | 48.3° | 60.0° |
| PA | O5' | C5' | H5'2 | 72.5° | 59.9° |
| O5' | C5' | C4' | H5'1 | 119.6° | 120.0° |
| O5' | C5' | C4' | H5'2 | 119.6° | 120.0° |
| O5' | C5' | C4' | O4' | 77.5° | 66.5° |
| O5' | C5' | C4' | C3' | 38.8° | 175.7° |
| O5' | C5' | H5'1 | H5'2 | 121.3° | 120.0° |
| O5' | C5' | C4' | H4' | 161.5° | 54.6° |
| C5' | C4' | O4' | C3' | 122.4° | 119.4° |
| C5' | C4' | O4' | H4' | 120.6° | 121.0° |
| C5' | C4' | C3' | H4' | 122.7° | 121.1° |
| C5' | C4' | O4' | C1' | 141.4° | 146.0° |
| C5' | C4' | C3' | O3' | 80.3° | 119.9° |
| C5' | C4' | C3' | C2' | 156.2° | 121.4° |
| C4' | C5' | H5'1 | H5'2 | 121.2° | 120.0° |
| C5' | C4' | C3' | H3' | 41.8° | 2.7° |
| O4' | C4' | C3' | H4' | 117.8° | 119.5° |
| O4' | C4' | C3' | O3' | 160.2° | 120.7° |
| O4' | C4' | C3' | C2' | 36.7° | 2.0° |
| C4' | O4' | C1' | C2' | 6.6° | 40.1° |
| C4' | O4' | C1' | N9 | 117.7° | 158.6° |
| O4' | C4' | C5' | H5'1 | 162.9° | 53.5° |
| O4' | C4' | C5' | H5'2 | 42.1° | 173.5° |
| O4' | C4' | C3' | H3' | 77.6° | 116.8° |
| C4' | O4' | C1' | H1' | 123.2° | 78.4° |
| C3' | C4' | O4' | C1' | 19.1° | 26.6° |
| C4' | C3' | O3' | C2' | 115.8° | 114.8° |
| C4' | C3' | O3' | H3' | 121.3° | 122.6° |
| C4' | C3' | C2' | H3' | 114.4° | 118.7° |
| C4' | C3' | C2' | O2' | 78.4° | 139.1° |
| C4' | C3' | C2' | C1' | 39.5° | 20.9° |
| C3' | C4' | C5' | H5'1 | 80.8° | 64.3° |
| C3' | C4' | C5' | H5'2 | 158.4° | 55.7° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | H2' | 156.5° | 97.4° |
| O4' | C1' | C2' | C3' | 29.2° | 37.1° |
| O4' | C1' | C2' | O2' | 88.2° | 155.3° |
| O4' | C1' | C2' | N9 | 121.1° | 118.4° |
| O4' | C1' | C2' | H1' | 117.5° | 118.6° |
| O4' | C1' | N9 | H1' | 119.6° | 123.0° |
| O4' | C1' | N9 | C8 | 69.1° | 23.5° |
| O4' | C1' | N9 | C4 | 112.9° | 156.7° |
| C1' | O4' | C4' | H4' | 98.0° | 93.0° |
| O4' | C1' | C2' | H2' | 146.3° | 81.2° |
| O3' | C3' | C2' | H3' | 123.7° | 122.6° |
| O3' | C3' | C2' | O2' | 43.5° | 20.4° |
| O3' | C3' | C2' | C1' | 161.4° | 97.7° |
| O3' | C3' | C4' | H4' | 42.4° | 1.2° |
| O3' | C3' | C2' | H2' | 81.5° | 144.0° |
| C3' | C2' | O2' | C1' | 111.3° | 112.7° |
| C3' | C2' | O2' | H2' | 124.2° | 123.7° |
| C3' | C2' | C1' | H2' | 117.2° | 118.3° |
| C3' | C2' | C1' | N9 | 91.9° | 155.5° |
| C2' | C3' | C4' | H4' | 81.1° | 117.5° |
| C2' | C3' | O3' | HO3' | 64.2° | 65.2° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.4° |
| C3' | C2' | C1' | H1' | 146.7° | 81.5° |
| O2' | C2' | C1' | H2' | 125.5° | 123.5° |
| O2' | C2' | C1' | N9 | 150.7° | 86.3° |
| O2' | C2' | C3' | H3' | 167.2° | 102.2° |
| O2' | C2' | C1' | H1' | 29.3° | 36.7° |
| C2' | C1' | N9 | H1' | 121.0° | 123.0° |
| C2' | C1' | N9 | C8 | 50.3° | 90.5° |
| C2' | C1' | N9 | C4 | 127.7° | 89.2° |
| C1' | C2' | C3' | H3' | 74.9° | 139.6° |
| C1' | C2' | O2' | HO2' | 68.8° | 174.1° |
| C1' | N9 | C8 | C4 | 178.3° | 179.8° |
| C1' | N9 | C8 | N7 | 178.9° | 180.0° |
| C1' | N9 | C4 | C5 | 178.8° | 179.9° |
| C1' | N9 | C4 | N3 | 1.7° | 0.7° |
| N9 | C1' | C2' | H2' | 25.3° | 37.3° |
| C1' | N9 | C8 | H8 | 1.1° | 0.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.4° | 0.0° |
| C8 | N9 | C4 | C5 | 0.5° | 0.3° |
| C8 | N9 | C4 | N3 | 180.0° | 179.6° |
| C8 | N9 | C1' | H1' | 171.3° | 146.6° |
| C4 | N9 | C8 | N7 | 0.6° | 0.2° |
| N9 | C4 | C5 | N7 | 0.3° | 0.3° |
| N9 | C4 | C5 | C6 | 179.5° | 179.8° |
| N9 | C4 | C5 | N3 | 179.5° | 179.4° |
| N9 | C4 | N3 | C2 | 179.3° | 179.6° |
| C4 | N9 | C1' | H1' | 6.7° | 33.7° |
| C4 | N9 | C8 | H8 | 179.4° | 179.8° |
| C8 | N7 | C5 | C6 | 179.8° | 180.0° |
| C8 | N7 | C5 | C4 | 0.0° | 0.2° |
| N7 | C5 | C6 | C4 | 179.8° | 179.8° |
| N7 | C5 | C6 | N6 | 0.3° | 0.1° |
| N7 | C5 | C6 | N1 | 179.6° | 180.0° |
| N7 | C5 | C4 | N3 | 179.8° | 179.7° |
| C5 | N7 | C8 | H8 | 179.6° | 180.0° |
| C5 | C6 | N6 | N1 | 180.0° | 179.9° |
| C5 | C6 | N1 | C2 | 0.2° | 0.0° |
| C6 | C5 | C4 | N3 | 0.0° | 0.4° |
| C5 | C6 | N6 | HN62 | 179.9° | 0.0° |
| C5 | C6 | N6 | HN61 | 59.9° | 180.0° |
| C4 | C5 | C6 | N6 | 179.9° | 179.7° |
| C4 | C5 | C6 | N1 | 0.1° | 0.2° |
| C5 | C4 | N3 | C2 | 0.0° | 0.5° |
| N6 | C6 | N1 | C2 | 179.8° | 179.9° |
| C6 | N6 | HN62 | HN61 | 120.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| N1 | C6 | N6 | HN62 | 0.0° | 180.0° |
| N1 | C6 | N6 | HN61 | 120.0° | 0.0° |
| C6 | N1 | C2 | H2 | 179.8° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.1° | 0.3° |
| C4 | N3 | C2 | H2 | 180.0° | 179.8° |
| H5'1 | C5' | C4' | H4' | 41.9° | 174.6° |
| H5'2 | C5' | C4' | H4' | 78.9° | 65.4° |
| H4' | C4' | C3' | H3' | 164.6° | 123.7° |
| H3' | C3' | O3' | HO3' | 58.7° | 57.5° |
| H3' | C3' | C2' | H2' | 42.2° | 21.4° |
| H2' | C2' | O2' | HO2' | 55.8° | 62.2° |
| H2' | C2' | C1' | H1' | 96.2° | 160.2° |
