1DP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O3P | sing | 1.61Å | 1.60Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| O5' | P | sing | 1.61Å | 1.59Å | |
| O1P | P | doub | 1.48Å | 1.49Å | |
| P | O2P | sing | 1.61Å | 1.49Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| N9 | C1' | sing | 1.46Å | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C4 | N9 | sing | 1.38Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.34Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | C6 | sing | 1.39Å | 1.35Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N6 | C6 | sing | 1.39Å | 1.33Å | |
| C6 | C5 | doub | 1.41Å | 1.39Å | Aromatic |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C5 | N7 | sing | 1.36Å | 1.38Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| O2' | C2' | sing | 1.43Å | 1.41Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | O3P | HO3P | 109.5° | 114.0° |
| O3P | P | O5' | 103.6° | 109.5° |
| O3P | P | O1P | 106.0° | 109.5° |
| O3P | P | O2P | 109.1° | 109.5° |
| O5' | P | O1P | 108.8° | 109.5° |
| O5' | P | O2P | 108.6° | 109.5° |
| P | O5' | C5' | 121.5° | 123.0° |
| O1P | P | O2P | 119.6° | 109.5° |
| P | O2P | HO2P | 109.5° | 114.0° |
| O5' | C5' | C4' | 109.5° | 109.5° |
| O5' | C5' | H5' | 109.5° | 109.4° |
| O5' | C5' | H5'A | 109.4° | 109.5° |
| C4' | C5' | H5' | 109.4° | 109.5° |
| C4' | C5' | H5'A | 109.4° | 109.5° |
| C5' | C4' | C3' | 116.0° | 109.9° |
| C5' | C4' | O4' | 108.9° | 109.9° |
| C5' | C4' | H4' | 103.9° | 109.9° |
| H5' | C5' | H5'A | 109.5° | 109.5° |
| C3' | C4' | O4' | 104.3° | 107.3° |
| C3' | C4' | H4' | 108.5° | 110.0° |
| C4' | C3' | C2' | 102.0° | 104.2° |
| C4' | C3' | O3' | 111.7° | 110.5° |
| C4' | C3' | H3' | 113.1° | 110.5° |
| O4' | C4' | H4' | 115.6° | 109.9° |
| C4' | O4' | C1' | 109.8° | 107.0° |
| O4' | C1' | C2' | 107.1° | 103.5° |
| O4' | C1' | N9 | 107.7° | 110.6° |
| O4' | C1' | H1' | 112.7° | 110.6° |
| C2' | C1' | N9 | 111.0° | 110.8° |
| C2' | C1' | H1' | 109.5° | 110.6° |
| C1' | C2' | O2' | 109.5° | 110.9° |
| C1' | C2' | C3' | 101.2° | 102.1° |
| C1' | C2' | H2' | 115.3° | 110.9° |
| N9 | C1' | H1' | 108.8° | 110.5° |
| C1' | N9 | C4 | 126.4° | 126.3° |
| C1' | N9 | C8 | 127.8° | 126.3° |
| C4 | N9 | C8 | 105.8° | 107.4° |
| N9 | C4 | N3 | 127.2° | 133.8° |
| N9 | C4 | C5 | 105.7° | 105.9° |
| N9 | C8 | N7 | 113.9° | 110.0° |
| N9 | C8 | H8 | 123.1° | 125.0° |
| N3 | C4 | C5 | 127.0° | 120.4° |
| C4 | N3 | C2 | 110.3° | 121.8° |
| C4 | C5 | C6 | 117.1° | 118.9° |
| C4 | C5 | N7 | 110.9° | 107.2° |
| N3 | C2 | C1 | 129.2° | 121.4° |
| N3 | C2 | H2 | 115.4° | 119.3° |
| C1 | C2 | H2 | 115.4° | 119.3° |
| C2 | C1 | C6 | 118.7° | 119.4° |
| C2 | C1 | H1 | 120.7° | 120.3° |
| C6 | C1 | H1 | 120.6° | 120.3° |
| C1 | C6 | N6 | 118.9° | 121.0° |
| C1 | C6 | C5 | 117.6° | 118.1° |
| N6 | C6 | C5 | 123.5° | 121.0° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| C6 | C5 | N7 | 132.0° | 133.9° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
| C5 | N7 | C8 | 103.7° | 109.5° |
| N7 | C8 | H8 | 123.1° | 125.0° |
| O2' | C2' | C3' | 111.4° | 110.9° |
| O2' | C2' | H2' | 105.8° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C3' | C2' | H2' | 113.6° | 110.9° |
| C2' | C3' | O3' | 110.1° | 110.5° |
| C2' | C3' | H3' | 114.7° | 110.4° |
| O3' | C3' | H3' | 105.4° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O5' | O1P | 112.5° | 120.0° |
| O3P | P | O5' | O2P | 115.9° | 120.0° |
| O3P | P | O1P | O2P | 123.7° | 120.0° |
| O3P | P | O2P | HO2P | 3.6° | 60.0° |
| O3P | P | O5' | C5' | 67.6° | 175.0° |
| HO3P | O3P | P | O5' | 32.5° | 180.0° |
| HO3P | O3P | P | O1P | 82.1° | 60.0° |
| HO3P | O3P | P | O2P | 148.0° | 60.0° |
| O5' | P | O1P | O2P | 125.4° | 120.0° |
| O5' | P | O2P | HO2P | 115.8° | 60.0° |
| P | O5' | C5' | C4' | 175.1° | 180.0° |
| P | O5' | C5' | H5' | 55.1° | 60.0° |
| P | O5' | C5' | H5'A | 64.9° | 60.0° |
| O1P | P | O2P | HO2P | 118.6° | 180.0° |
| O1P | P | O5' | C5' | 179.9° | 55.0° |
| O2P | P | O5' | C5' | 48.3° | 65.0° |
| O5' | C5' | C4' | H5' | 120.0° | 119.9° |
| O5' | C5' | C4' | H5'A | 120.0° | 120.0° |
| O5' | C5' | H5' | H5'A | 120.0° | 120.0° |
| O5' | C5' | C4' | C3' | 52.3° | 175.7° |
| O5' | C5' | C4' | O4' | 65.0° | 66.5° |
| O5' | C5' | C4' | H4' | 171.2° | 54.5° |
| C4' | C5' | H5' | H5'A | 119.9° | 120.0° |
| C5' | C4' | C3' | O4' | 119.8° | 119.4° |
| C5' | C4' | C3' | H4' | 116.4° | 121.1° |
| C5' | C4' | O4' | H4' | 116.5° | 121.0° |
| C5' | C4' | O4' | C1' | 143.1° | 145.9° |
| C5' | C4' | C3' | C2' | 155.4° | 121.4° |
| C5' | C4' | C3' | O3' | 87.0° | 119.9° |
| C5' | C4' | C3' | H3' | 31.8° | 2.8° |
| H5' | C5' | C4' | C3' | 67.8° | 64.3° |
| H5' | C5' | C4' | O4' | 175.0° | 53.5° |
| H5' | C5' | C4' | H4' | 51.2° | 174.5° |
| H5'A | C5' | C4' | C3' | 172.2° | 55.7° |
| H5'A | C5' | C4' | O4' | 55.0° | 173.5° |
| H5'A | C5' | C4' | H4' | 68.8° | 65.5° |
| C3' | C4' | O4' | H4' | 119.1° | 119.6° |
| C3' | C4' | O4' | C1' | 18.6° | 26.5° |
| C4' | C3' | C2' | C1' | 38.2° | 20.9° |
| C4' | C3' | C2' | O2' | 78.1° | 139.1° |
| C4' | C3' | C2' | O3' | 118.7° | 118.7° |
| C4' | C3' | C2' | H3' | 122.6° | 118.7° |
| C4' | C3' | C2' | H2' | 162.5° | 97.3° |
| C4' | C3' | O3' | H3' | 123.3° | 122.6° |
| C4' | C3' | O3' | HO3' | 179.1° | 176.2° |
| C4' | O4' | C1' | C2' | 6.2° | 40.1° |
| C4' | O4' | C1' | N9 | 113.2° | 158.7° |
| C4' | O4' | C1' | H1' | 126.7° | 78.4° |
| O4' | C4' | C3' | C2' | 35.7° | 2.0° |
| O4' | C4' | C3' | O3' | 153.2° | 120.7° |
| O4' | C4' | C3' | H3' | 88.0° | 116.6° |
| H4' | C4' | O4' | C1' | 100.5° | 93.0° |
| H4' | C4' | C3' | C2' | 88.1° | 117.4° |
| H4' | C4' | C3' | O3' | 29.4° | 1.3° |
| H4' | C4' | C3' | H3' | 148.2° | 123.9° |
| O4' | C1' | C2' | N9 | 117.4° | 118.6° |
| O4' | C1' | C2' | H1' | 122.4° | 118.5° |
| O4' | C1' | N9 | H1' | 122.5° | 122.9° |
| O4' | C1' | N9 | C4 | 169.1° | 156.2° |
| O4' | C1' | N9 | C8 | 11.7° | 23.5° |
| O4' | C1' | C2' | O2' | 89.4° | 155.2° |
| O4' | C1' | C2' | C3' | 28.3° | 37.0° |
| O4' | C1' | C2' | H2' | 151.3° | 81.2° |
| C2' | C1' | N9 | H1' | 120.6° | 123.0° |
| C2' | C1' | N9 | C4 | 73.9° | 89.7° |
| C2' | C1' | N9 | C8 | 105.2° | 90.6° |
| C1' | C2' | O2' | C3' | 111.1° | 112.7° |
| C1' | C2' | O2' | H2' | 124.9° | 123.6° |
| C1' | C2' | C3' | H2' | 124.3° | 118.2° |
| C1' | C2' | O2' | HO2' | 133.5° | 180.0° |
| C1' | C2' | C3' | O3' | 156.9° | 97.8° |
| C1' | C2' | C3' | H3' | 84.4° | 139.6° |
| C1' | N9 | C4 | C8 | 179.3° | 179.8° |
| C1' | N9 | C4 | N3 | 0.8° | 0.0° |
| C1' | N9 | C4 | C5 | 178.9° | 180.0° |
| C1' | N9 | C8 | N7 | 178.8° | 179.9° |
| C1' | N9 | C8 | H8 | 1.2° | 0.0° |
| N9 | C1' | C2' | O2' | 153.2° | 86.2° |
| N9 | C1' | C2' | C3' | 89.1° | 155.6° |
| N9 | C1' | C2' | H2' | 34.0° | 37.4° |
| H1' | C1' | N9 | C4 | 46.6° | 33.3° |
| H1' | C1' | N9 | C8 | 134.2° | 146.4° |
| H1' | C1' | C2' | O2' | 33.0° | 36.7° |
| H1' | C1' | C2' | C3' | 150.7° | 81.5° |
| H1' | C1' | C2' | H2' | 86.2° | 160.3° |
| N9 | C4 | N3 | C5 | 179.6° | 180.0° |
| N9 | C4 | N3 | C2 | 179.4° | 180.0° |
| N9 | C4 | C5 | C6 | 179.6° | 180.0° |
| N9 | C4 | C5 | N7 | 0.4° | 0.0° |
| C4 | N9 | C8 | N7 | 0.5° | 0.4° |
| C4 | N9 | C8 | H8 | 179.5° | 179.7° |
| C8 | N9 | C4 | N3 | 179.9° | 179.8° |
| C8 | N9 | C4 | C5 | 0.5° | 0.2° |
| N9 | C8 | N7 | C5 | 0.3° | 0.4° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| C4 | N3 | C2 | C1 | 0.1° | 0.1° |
| C4 | N3 | C2 | H2 | 179.9° | 179.9° |
| N3 | C4 | C5 | C6 | 0.0° | 0.0° |
| N3 | C4 | C5 | N7 | 180.0° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.1° |
| C4 | C5 | C6 | C1 | 0.2° | 0.0° |
| C4 | C5 | C6 | N6 | 179.8° | 180.0° |
| C4 | C5 | C6 | N7 | 180.0° | 180.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.2° |
| N3 | C2 | C1 | H2 | 180.0° | 180.0° |
| N3 | C2 | C1 | C6 | 0.1° | 0.0° |
| N3 | C2 | C1 | H1 | 179.9° | 179.9° |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C2 | C1 | C6 | N6 | 179.8° | 179.9° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| H2 | C2 | C1 | C6 | 179.9° | 180.0° |
| H2 | C2 | C1 | H1 | 0.1° | 0.0° |
| C1 | C6 | N6 | C5 | 180.0° | 179.9° |
| C1 | C6 | N6 | HN6 | 141.3° | 0.0° |
| C1 | C6 | N6 | HN6A | 98.6° | 180.0° |
| C1 | C6 | C5 | N7 | 179.8° | 180.0° |
| H1 | C1 | C6 | N6 | 0.2° | 0.0° |
| H1 | C1 | C6 | C5 | 179.8° | 179.9° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| N6 | C6 | C5 | N7 | 0.2° | 0.0° |
| C5 | C6 | N6 | HN6 | 38.7° | 180.0° |
| C5 | C6 | N6 | HN6A | 81.4° | 0.0° |
| C6 | C5 | N7 | C8 | 179.9° | 179.8° |
| C5 | N7 | C8 | H8 | 179.7° | 179.7° |
| O2' | C2' | C3' | H2' | 119.4° | 123.6° |
| O2' | C2' | C3' | O3' | 40.6° | 20.4° |
| O2' | C2' | C3' | H3' | 159.3° | 102.2° |
| C3' | C2' | O2' | HO2' | 115.4° | 67.3° |
| C2' | C3' | O3' | H3' | 124.2° | 122.6° |
| C2' | C3' | O3' | HO3' | 68.4° | 61.4° |
| H2' | C2' | O2' | HO2' | 8.5° | 56.4° |
| H2' | C2' | C3' | O3' | 78.8° | 144.0° |
| H2' | C2' | C3' | H3' | 39.9° | 21.4° |
| H3' | C3' | O3' | HO3' | 55.8° | 61.1° |
