DDS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.47Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.48Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.36Å | |
| N7 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.49Å | |
| PA | O1A | doub | 1.48Å | 1.51Å | |
| PA | O2A | sing | 1.61Å | 1.51Å | |
| PA | O3A | sing | 1.61Å | 1.61Å | |
| PA | O5' | sing | 1.61Å | 1.62Å | |
| PB | O1B | doub | 1.48Å | 1.51Å | |
| PB | O2B | sing | 1.61Å | 1.51Å | |
| PB | O3A | sing | 1.61Å | 1.61Å | |
| PB | O3B | sing | 1.61Å | 1.61Å | |
| PG | O1G | doub | 1.48Å | 1.51Å | |
| PG | O2G | sing | 1.61Å | 1.51Å | |
| PG | O3B | sing | 1.61Å | 1.61Å | |
| PG | O3G | sing | 1.61Å | 1.51Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C3' | C4' | sing | 1.55Å | 1.52Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C3' | H3'A | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å | |
| O2G | HO2G | sing | 0.97Å | 0.95Å | |
| O3G | HO3G | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 121.6° | 121.2° |
| N1 | C2 | N3 | 123.7° | 122.5° |
| N1 | C2 | H2 | 118.1° | 118.8° |
| N1 | C6 | C5 | 117.8° | 118.5° |
| N1 | C6 | N6 | 121.3° | 120.8° |
| C2 | N3 | C4 | 121.0° | 120.6° |
| N3 | C2 | H2 | 118.2° | 118.7° |
| N3 | C4 | C5 | 118.4° | 119.1° |
| N3 | C4 | N9 | 135.2° | 134.9° |
| C5 | C4 | N9 | 106.3° | 106.0° |
| C4 | C5 | C6 | 117.4° | 118.2° |
| C4 | C5 | N7 | 106.7° | 107.1° |
| C4 | N9 | C8 | 108.2° | 107.5° |
| C4 | N9 | C1' | 126.7° | 126.3° |
| C6 | C5 | N7 | 135.8° | 134.7° |
| C5 | C6 | N6 | 120.9° | 120.8° |
| C5 | N7 | C8 | 107.3° | 109.5° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| N7 | C8 | N9 | 111.5° | 110.0° |
| N7 | C8 | H8 | 124.3° | 125.0° |
| C8 | N9 | C1' | 125.1° | 126.3° |
| N9 | C8 | H8 | 124.3° | 125.0° |
| N9 | C1' | C2' | 111.6° | 109.8° |
| N9 | C1' | O4' | 108.5° | 109.9° |
| N9 | C1' | H1' | 108.0° | 109.8° |
| O1A | PA | O2A | 118.1° | 109.4° |
| O1A | PA | O3A | 106.9° | 109.5° |
| O1A | PA | O5' | 108.3° | 109.5° |
| O2A | PA | O3A | 108.2° | 109.4° |
| O2A | PA | O5' | 109.6° | 109.5° |
| PA | O2A | HO2A | 109.5° | 114.0° |
| O3A | PA | O5' | 105.0° | 109.5° |
| PA | O3A | PB | 123.1° | 134.0° |
| PA | O5' | C5' | 120.1° | 123.0° |
| O1B | PB | O2B | 120.2° | 109.5° |
| O1B | PB | O3A | 108.4° | 109.5° |
| O1B | PB | O3B | 109.3° | 109.5° |
| O2B | PB | O3A | 109.3° | 109.5° |
| O2B | PB | O3B | 108.3° | 109.5° |
| PB | O2B | HO2B | 109.5° | 114.0° |
| O3A | PB | O3B | 99.4° | 109.4° |
| PB | O3B | PG | 119.7° | 134.0° |
| O1G | PG | O2G | 113.7° | 109.5° |
| O1G | PG | O3B | 104.8° | 109.4° |
| O1G | PG | O3G | 114.2° | 109.5° |
| O2G | PG | O3B | 103.6° | 109.5° |
| O2G | PG | O3G | 115.0° | 109.5° |
| PG | O2G | HO2G | 109.5° | 114.0° |
| O3B | PG | O3G | 103.8° | 109.5° |
| PG | O3G | HO3G | 109.5° | 114.0° |
| C2' | C1' | O4' | 107.3° | 107.3° |
| C1' | C2' | C3' | 106.1° | 104.1° |
| C2' | C1' | H1' | 109.2° | 109.9° |
| C1' | C2' | H2' | 110.6° | 110.5° |
| C1' | C2' | H2'A | 110.6° | 110.5° |
| C1' | O4' | C4' | 111.9° | 107.0° |
| O4' | C1' | H1' | 112.3° | 110.0° |
| C2' | C3' | C4' | 105.9° | 102.1° |
| C3' | C2' | H2' | 110.6° | 110.5° |
| C3' | C2' | H2'A | 110.6° | 110.5° |
| C2' | C3' | H3' | 110.7° | 110.9° |
| C2' | C3' | H3'A | 110.7° | 110.9° |
| C3' | C4' | O4' | 106.9° | 103.5° |
| C3' | C4' | C5' | 109.3° | 110.6° |
| C4' | C3' | H3' | 110.7° | 111.0° |
| C4' | C3' | H3'A | 110.7° | 110.9° |
| C3' | C4' | H4' | 111.6° | 110.5° |
| O4' | C4' | C5' | 110.4° | 110.7° |
| O4' | C4' | H4' | 110.5° | 110.6° |
| C4' | C5' | O5' | 112.9° | 109.5° |
| C5' | C4' | H4' | 108.1° | 110.7° |
| C4' | C5' | H5' | 108.3° | 109.5° |
| C4' | C5' | H5'A | 108.3° | 109.5° |
| O5' | C5' | H5' | 108.3° | 109.5° |
| O5' | C5' | H5'A | 108.3° | 109.4° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
| H2' | C2' | H2'A | 108.3° | 110.6° |
| H3' | C3' | H3'A | 108.2° | 110.8° |
| H5' | C5' | H5'A | 110.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.2° | 0.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| C2 | N1 | C6 | N6 | 180.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | N6 | 180.0° | 180.0° |
| N1 | C6 | C5 | N7 | 179.9° | 179.9° |
| C6 | N1 | C2 | H2 | 180.0° | 180.0° |
| N1 | C6 | N6 | HN6 | 0.0° | 0.1° |
| N1 | C6 | N6 | HN6A | 120.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.0° |
| C2 | N3 | C4 | N9 | 179.3° | 180.0° |
| N3 | C4 | C5 | N9 | 179.2° | 180.0° |
| N3 | C4 | C5 | C6 | 0.3° | 0.0° |
| N3 | C4 | C5 | N7 | 179.9° | 179.9° |
| N3 | C4 | N9 | C8 | 179.9° | 180.0° |
| N3 | C4 | N9 | C1' | 1.9° | 0.0° |
| C4 | N3 | C2 | H2 | 179.8° | 180.0° |
| C4 | C5 | C6 | N7 | 179.8° | 180.0° |
| C4 | C5 | C6 | N6 | 179.8° | 180.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.1° |
| C5 | C4 | N9 | C8 | 0.9° | 0.0° |
| C5 | C4 | N9 | C1' | 179.1° | 179.9° |
| N9 | C4 | C5 | C6 | 179.5° | 180.0° |
| N9 | C4 | C5 | N7 | 0.7° | 0.0° |
| C4 | N9 | C8 | N7 | 0.9° | 0.0° |
| C4 | N9 | C8 | C1' | 178.3° | 179.9° |
| C4 | N9 | C1' | C2' | 59.6° | 85.0° |
| C4 | N9 | C1' | O4' | 177.6° | 157.1° |
| C4 | N9 | C8 | H8 | 179.2° | 180.0° |
| C4 | N9 | C1' | H1' | 60.5° | 35.9° |
| C6 | C5 | N7 | C8 | 179.9° | 180.0° |
| C5 | C6 | N6 | HN6 | 180.0° | 180.0° |
| C5 | C6 | N6 | HN6A | 59.9° | 0.0° |
| N7 | C5 | C6 | N6 | 0.0° | 0.0° |
| C5 | N7 | C8 | N9 | 0.4° | 0.0° |
| C5 | N7 | C8 | H8 | 179.6° | 180.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 179.9° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 179.1° | 179.9° |
| C8 | N9 | C1' | C2' | 122.5° | 95.1° |
| C8 | N9 | C1' | O4' | 4.5° | 22.8° |
| C8 | N9 | C1' | H1' | 117.5° | 144.0° |
| N9 | C1' | C2' | O4' | 118.8° | 119.4° |
| N9 | C1' | C2' | H1' | 119.3° | 121.0° |
| N9 | C1' | O4' | H1' | 119.3° | 121.1° |
| N9 | C1' | C2' | C3' | 122.0° | 121.5° |
| N9 | C1' | O4' | C4' | 114.7° | 145.9° |
| C1' | N9 | C8 | H8 | 0.9° | 0.1° |
| N9 | C1' | C2' | H2' | 118.0° | 119.9° |
| N9 | C1' | C2' | H2'A | 2.0° | 2.8° |
| O1A | PA | O2A | O3A | 121.5° | 120.0° |
| O1A | PA | O2A | O5' | 124.6° | 120.0° |
| O1A | PA | O3A | O5' | 115.0° | 120.0° |
| O1A | PA | O3A | PB | 178.8° | 45.0° |
| O1A | PA | O5' | C5' | 71.6° | 55.0° |
| O1A | PA | O2A | HO2A | 0.0° | 179.9° |
| O2A | PA | O3A | O5' | 116.9° | 120.0° |
| O2A | PA | O3A | PB | 53.1° | 75.0° |
| O2A | PA | O5' | C5' | 158.3° | 65.0° |
| PA | O3A | PB | O1B | 108.2° | 45.0° |
| PA | O3A | PB | O2B | 24.5° | 75.0° |
| PA | O3A | PB | O3B | 137.7° | 165.0° |
| O3A | PA | O5' | C5' | 42.3° | 175.0° |
| O3A | PA | O2A | HO2A | 121.4° | 60.1° |
| O5' | PA | O3A | PB | 63.9° | 165.0° |
| PA | O5' | C5' | C4' | 152.1° | 180.0° |
| PA | O5' | C5' | H5' | 87.9° | 60.0° |
| PA | O5' | C5' | H5'A | 32.1° | 60.0° |
| O5' | PA | O2A | HO2A | 124.6° | 60.0° |
| O1B | PB | O2B | O3A | 126.2° | 120.0° |
| O1B | PB | O2B | O3B | 126.5° | 120.0° |
| O1B | PB | O3A | O3B | 114.1° | 120.0° |
| O1B | PB | O3B | PG | 160.2° | 40.0° |
| O1B | PB | O2B | HO2B | 0.0° | 180.0° |
| O2B | PB | O3A | O3B | 113.2° | 120.0° |
| O2B | PB | O3B | PG | 27.6° | 80.0° |
| O3A | PB | O3B | PG | 86.4° | 160.0° |
| O3A | PB | O2B | HO2B | 126.2° | 60.0° |
| PB | O3B | PG | O1G | 140.8° | 40.0° |
| PB | O3B | PG | O2G | 99.7° | 80.0° |
| PB | O3B | PG | O3G | 20.8° | 160.0° |
| O3B | PB | O2B | HO2B | 126.5° | 60.0° |
| O1G | PG | O2G | O3B | 113.1° | 120.0° |
| O1G | PG | O2G | O3G | 134.3° | 120.0° |
| O1G | PG | O3B | O3G | 120.0° | 120.0° |
| O1G | PG | O2G | HO2G | 0.0° | 180.0° |
| O1G | PG | O3G | HO3G | 0.0° | 60.0° |
| O2G | PG | O3B | O3G | 120.5° | 120.0° |
| O2G | PG | O3G | HO3G | 134.1° | 60.0° |
| O3B | PG | O2G | HO2G | 113.1° | 60.0° |
| O3B | PG | O3G | HO3G | 113.4° | 180.0° |
| O3G | PG | O2G | HO2G | 134.3° | 60.0° |
| C2' | C1' | O4' | H1' | 120.0° | 119.5° |
| C1' | C2' | C3' | H2' | 120.0° | 118.6° |
| C1' | C2' | C3' | H2'A | 120.0° | 118.6° |
| C1' | C2' | C3' | C4' | 10.6° | 20.8° |
| C2' | C1' | O4' | C4' | 6.1° | 26.5° |
| C1' | C2' | H2' | H2'A | 121.4° | 122.6° |
| C1' | C2' | C3' | H3' | 109.5° | 139.1° |
| C1' | C2' | C3' | H3'A | 130.5° | 97.4° |
| O4' | C1' | C2' | C3' | 3.2° | 2.1° |
| C1' | O4' | C4' | C3' | 12.9° | 40.0° |
| C1' | O4' | C4' | C5' | 105.9° | 158.6° |
| O4' | C1' | C2' | H2' | 123.2° | 120.7° |
| O4' | C1' | C2' | H2'A | 116.8° | 116.6° |
| C1' | O4' | C4' | H4' | 134.5° | 78.4° |
| C2' | C3' | C4' | H3' | 120.0° | 118.3° |
| C2' | C3' | C4' | H3'A | 120.0° | 118.2° |
| C2' | C3' | C4' | O4' | 14.2° | 37.0° |
| C2' | C3' | C4' | C5' | 105.3° | 155.5° |
| C3' | C2' | C1' | H1' | 118.7° | 117.6° |
| C3' | C2' | H2' | H2'A | 121.4° | 122.7° |
| C2' | C3' | H3' | H3'A | 121.5° | 123.6° |
| C2' | C3' | C4' | H4' | 135.1° | 81.5° |
| C3' | C4' | O4' | C5' | 118.8° | 118.5° |
| C3' | C4' | O4' | H4' | 121.6° | 118.4° |
| C3' | C4' | C5' | H4' | 121.7° | 122.9° |
| C3' | C4' | C5' | O5' | 177.3° | 175.0° |
| C4' | C3' | C2' | H2' | 130.6° | 97.8° |
| C4' | C3' | C2' | H2'A | 109.5° | 139.5° |
| C4' | C3' | H3' | H3'A | 121.5° | 123.6° |
| C3' | C4' | C5' | H5' | 57.3° | 55.0° |
| C3' | C4' | C5' | H5'A | 62.7° | 65.1° |
| O4' | C4' | C5' | H4' | 121.0° | 123.0° |
| O4' | C4' | C5' | O5' | 65.4° | 70.9° |
| C4' | O4' | C1' | H1' | 126.1° | 93.0° |
| O4' | C4' | C3' | H3' | 105.8° | 155.3° |
| O4' | C4' | C3' | H3'A | 134.2° | 81.2° |
| O4' | C4' | C5' | H5' | 174.6° | 169.1° |
| O4' | C4' | C5' | H5'A | 54.6° | 49.0° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C5' | C4' | C3' | H3' | 134.7° | 86.2° |
| C5' | C4' | C3' | H3'A | 14.7° | 37.3° |
| C4' | C5' | H5' | H5'A | 118.6° | 120.0° |
| O5' | C5' | C4' | H4' | 55.6° | 52.1° |
| O5' | C5' | H5' | H5'A | 118.6° | 120.0° |
| H1' | C1' | C2' | H2' | 1.3° | 1.1° |
| H1' | C1' | C2' | H2'A | 121.3° | 123.8° |
| H2' | C2' | C3' | H3' | 10.5° | 20.5° |
| H2' | C2' | C3' | H3'A | 109.5° | 144.0° |
| H2'A | C2' | C3' | H3' | 130.5° | 102.2° |
| H2'A | C2' | C3' | H3'A | 10.5° | 21.3° |
| H3' | C3' | C4' | H4' | 15.1° | 36.8° |
| H3'A | C3' | C4' | H4' | 104.9° | 160.3° |
| H4' | C4' | C5' | H5' | 64.4° | 67.9° |
| H4' | C4' | C5' | H5'A | 175.6° | 172.0° |
