SDG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O3P | sing | 1.61Å | 1.61Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| N3 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C2 | sing | 1.39Å | 1.35Å | |
| C2 | N1 | sing | 1.33Å | 1.38Å | Aromatic |
| O1P | P | doub | 1.48Å | 1.49Å | |
| P | O5' | sing | 1.61Å | 1.58Å | |
| P | O2P | sing | 1.61Å | 1.50Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.38Å | Aromatic |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| N1 | C6 | doub | 1.32Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.47Å | Aromatic |
| C6 | SE | sing | 1.96Å | 1.81Å | |
| C5 | N7 | sing | 1.36Å | 1.39Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| SE | HSE | sing | 1.56Å | 1.50Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | O3P | HO3P | 109.5° | 114.0° |
| O3P | P | O1P | 105.4° | 109.5° |
| O3P | P | O5' | 102.5° | 109.5° |
| O3P | P | O2P | 110.0° | 109.5° |
| N3 | C2 | N2 | 119.9° | 118.9° |
| N3 | C2 | N1 | 124.5° | 122.2° |
| C2 | N3 | C4 | 112.6° | 120.4° |
| N2 | C2 | N1 | 115.5° | 118.9° |
| C2 | N2 | HN2 | 109.5° | 120.0° |
| C2 | N2 | HN2A | 109.5° | 120.0° |
| C2 | N1 | C6 | 124.7° | 121.2° |
| O1P | P | O5' | 108.6° | 109.5° |
| O1P | P | O2P | 120.1° | 109.5° |
| O5' | P | O2P | 108.9° | 109.5° |
| P | O5' | C5' | 122.3° | 123.0° |
| P | O2P | HO2P | 109.5° | 114.0° |
| O5' | C5' | C4' | 108.5° | 109.5° |
| O5' | C5' | H5' | 109.8° | 109.5° |
| O5' | C5' | H5'A | 110.0° | 109.5° |
| C1' | N9 | C4 | 125.7° | 126.3° |
| C1' | N9 | C8 | 128.3° | 126.3° |
| N9 | C1' | C2' | 108.7° | 110.4° |
| N9 | C1' | O4' | 101.1° | 110.4° |
| N9 | C1' | H1' | 113.5° | 110.5° |
| C4 | N9 | C8 | 105.9° | 107.4° |
| N9 | C4 | N3 | 126.0° | 134.9° |
| N9 | C4 | C5 | 105.5° | 106.0° |
| N9 | C8 | N7 | 113.1° | 110.1° |
| N9 | C8 | H8 | 123.5° | 125.0° |
| N3 | C4 | C5 | 128.4° | 119.1° |
| C4 | C5 | C6 | 118.1° | 118.4° |
| C4 | C5 | N7 | 110.8° | 107.0° |
| HN2 | N2 | HN2A | 109.4° | 120.0° |
| N1 | C6 | C5 | 111.7° | 118.7° |
| N1 | C6 | SE | 120.8° | 120.6° |
| C5 | C6 | SE | 127.5° | 120.7° |
| C6 | C5 | N7 | 131.1° | 134.6° |
| C6 | SE | HSE | 109.5° | 101.0° |
| C5 | N7 | C8 | 104.4° | 109.5° |
| N7 | C8 | H8 | 123.4° | 125.0° |
| C3' | C2' | C1' | 104.8° | 104.1° |
| C3' | C2' | H2' | 111.1° | 110.5° |
| C3' | C2' | H2'A | 112.1° | 110.6° |
| C2' | C3' | C4' | 104.0° | 104.0° |
| C2' | C3' | O3' | 110.9° | 110.5° |
| C2' | C3' | H3' | 111.8° | 110.6° |
| C1' | C2' | H2' | 111.0° | 110.5° |
| C1' | C2' | H2'A | 112.1° | 110.5° |
| C2' | C1' | O4' | 103.9° | 104.8° |
| C2' | C1' | H1' | 111.1° | 110.3° |
| H2' | C2' | H2'A | 105.9° | 110.4° |
| C4' | C5' | H5' | 109.8° | 109.5° |
| C4' | C5' | H5'A | 110.0° | 109.4° |
| C5' | C4' | C3' | 115.7° | 110.4° |
| C5' | C4' | O4' | 110.6° | 110.4° |
| C5' | C4' | H4' | 103.3° | 110.3° |
| H5' | C5' | H5'A | 108.8° | 109.4° |
| C3' | C4' | O4' | 106.4° | 104.8° |
| C3' | C4' | H4' | 107.8° | 110.4° |
| C4' | C3' | O3' | 108.7° | 110.5° |
| C4' | C3' | H3' | 114.0° | 110.5° |
| O4' | C4' | H4' | 113.1° | 110.4° |
| C4' | O4' | C1' | 107.4° | 105.3° |
| O4' | C1' | H1' | 117.7° | 110.4° |
| O3' | C3' | H3' | 107.4° | 110.6° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O1P | O5' | 109.2° | 120.0° |
| O3P | P | O1P | O2P | 124.7° | 120.0° |
| O3P | P | O5' | O2P | 116.5° | 120.0° |
| O3P | P | O2P | HO2P | 123.2° | 60.0° |
| O3P | P | O5' | C5' | 107.3° | 175.0° |
| HO3P | O3P | P | O1P | 2.9° | 59.9° |
| HO3P | O3P | P | O5' | 110.6° | 179.9° |
| HO3P | O3P | P | O2P | 133.6° | 60.1° |
| N3 | C2 | N2 | N1 | 179.8° | 179.8° |
| C2 | N3 | C4 | N9 | 175.2° | 180.0° |
| C2 | N3 | C4 | C5 | 1.0° | 0.0° |
| N3 | C2 | N2 | HN2 | 174.9° | 179.7° |
| N3 | C2 | N2 | HN2A | 54.9° | 0.2° |
| N3 | C2 | N1 | C6 | 0.3° | 0.1° |
| N2 | C2 | N3 | C4 | 179.8° | 179.7° |
| C2 | N2 | HN2 | HN2A | 120.0° | 180.0° |
| N2 | C2 | N1 | C6 | 179.9° | 179.7° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| N1 | C2 | N2 | HN2 | 4.8° | 0.0° |
| N1 | C2 | N2 | HN2A | 124.8° | 180.0° |
| C2 | N1 | C6 | C5 | 1.0° | 0.0° |
| C2 | N1 | C6 | SE | 177.5° | 180.0° |
| O1P | P | O5' | O2P | 132.4° | 120.0° |
| O1P | P | O2P | HO2P | 0.8° | 180.0° |
| O1P | P | O5' | C5' | 141.6° | 55.0° |
| O5' | P | O2P | HO2P | 125.2° | 60.0° |
| P | O5' | C5' | C4' | 172.8° | 180.0° |
| P | O5' | C5' | H5' | 52.8° | 59.9° |
| P | O5' | C5' | H5'A | 66.8° | 60.0° |
| O2P | P | O5' | C5' | 9.2° | 65.0° |
| O5' | C5' | C4' | H5' | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'A | 120.4° | 120.0° |
| O5' | C5' | H5' | H5'A | 120.4° | 119.9° |
| O5' | C5' | C4' | C3' | 153.5° | 175.0° |
| O5' | C5' | C4' | O4' | 85.4° | 69.6° |
| O5' | C5' | C4' | H4' | 35.9° | 52.7° |
| C1' | N9 | C4 | C8 | 175.3° | 179.9° |
| C1' | N9 | C4 | N3 | 6.6° | 0.1° |
| C1' | N9 | C4 | C5 | 170.3° | 180.0° |
| C1' | N9 | C8 | N7 | 170.7° | 180.0° |
| C1' | N9 | C8 | H8 | 9.3° | 0.1° |
| N9 | C1' | C2' | C3' | 139.5° | 142.8° |
| N9 | C1' | C2' | O4' | 107.0° | 118.9° |
| N9 | C1' | C2' | H1' | 125.5° | 122.3° |
| N9 | C1' | C2' | H2' | 19.5° | 98.6° |
| N9 | C1' | C2' | H2'A | 98.7° | 24.0° |
| N9 | C1' | O4' | C4' | 150.3° | 159.3° |
| N9 | C1' | O4' | H1' | 124.2° | 122.4° |
| N9 | C4 | N3 | C5 | 176.2° | 180.0° |
| N9 | C4 | C5 | C6 | 174.4° | 180.0° |
| N9 | C4 | C5 | N7 | 4.1° | 0.0° |
| C4 | N9 | C8 | N7 | 4.4° | 0.0° |
| C4 | N9 | C8 | H8 | 175.6° | 180.0° |
| C4 | N9 | C1' | C2' | 102.2° | 85.0° |
| C4 | N9 | C1' | O4' | 148.9° | 159.6° |
| C4 | N9 | C1' | H1' | 21.9° | 37.2° |
| C8 | N9 | C4 | N3 | 178.1° | 180.0° |
| C8 | N9 | C4 | C5 | 5.0° | 0.0° |
| N9 | C8 | N7 | C5 | 1.9° | 0.0° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| C8 | N9 | C1' | C2' | 72.0° | 95.1° |
| C8 | N9 | C1' | O4' | 36.9° | 20.3° |
| C8 | N9 | C1' | H1' | 163.9° | 142.7° |
| N3 | C4 | C5 | C6 | 2.4° | 0.0° |
| N3 | C4 | C5 | N7 | 179.1° | 180.0° |
| C4 | C5 | C6 | N1 | 2.1° | 0.0° |
| C4 | C5 | C6 | N7 | 178.2° | 180.0° |
| C4 | C5 | C6 | SE | 176.2° | 180.0° |
| C4 | C5 | N7 | C8 | 1.5° | 0.0° |
| N1 | C6 | C5 | SE | 178.4° | 180.0° |
| N1 | C6 | C5 | N7 | 179.7° | 180.0° |
| N1 | C6 | SE | HSE | 178.7° | 90.0° |
| C6 | C5 | N7 | C8 | 176.8° | 180.0° |
| C5 | C6 | SE | HSE | 0.4° | 90.0° |
| SE | C6 | C5 | N7 | 2.0° | 0.0° |
| C5 | N7 | C8 | H8 | 178.1° | 180.0° |
| C3' | C2' | C1' | H2' | 120.0° | 118.6° |
| C3' | C2' | C1' | H2'A | 121.8° | 118.8° |
| C3' | C2' | H2' | H2'A | 121.9° | 122.7° |
| C2' | C3' | C4' | C5' | 129.9° | 142.8° |
| C2' | C3' | C4' | O3' | 118.2° | 118.6° |
| C2' | C3' | C4' | H3' | 122.0° | 118.7° |
| C2' | C3' | C4' | O4' | 6.6° | 24.0° |
| C2' | C3' | C4' | H4' | 115.0° | 94.9° |
| C3' | C2' | C1' | O4' | 32.4° | 23.9° |
| C3' | C2' | C1' | H1' | 95.0° | 94.9° |
| C2' | C3' | O3' | H3' | 122.5° | 122.7° |
| C2' | C3' | O3' | HO3' | 5.1° | 65.4° |
| C1' | C2' | H2' | H2'A | 121.9° | 122.6° |
| C1' | C2' | C3' | C4' | 15.3° | 0.0° |
| C2' | C1' | O4' | C4' | 37.7° | 40.5° |
| C2' | C1' | O4' | H1' | 123.2° | 118.8° |
| C1' | C2' | C3' | O3' | 101.3° | 118.7° |
| C1' | C2' | C3' | H3' | 138.7° | 118.6° |
| H2' | C2' | C3' | C4' | 104.7° | 118.6° |
| H2' | C2' | C1' | O4' | 87.6° | 142.6° |
| H2' | C2' | C1' | H1' | 145.0° | 23.8° |
| H2' | C2' | C3' | O3' | 138.7° | 0.0° |
| H2' | C2' | C3' | H3' | 18.8° | 122.7° |
| H2'A | C2' | C3' | C4' | 137.1° | 118.7° |
| H2'A | C2' | C1' | O4' | 154.2° | 94.8° |
| H2'A | C2' | C1' | H1' | 26.8° | 146.4° |
| H2'A | C2' | C3' | O3' | 20.5° | 122.6° |
| H2'A | C2' | C3' | H3' | 99.5° | 0.1° |
| C4' | C5' | H5' | H5'A | 120.4° | 120.0° |
| C5' | C4' | C3' | O4' | 123.3° | 118.8° |
| C5' | C4' | C3' | H4' | 115.0° | 122.2° |
| C5' | C4' | O4' | H4' | 115.4° | 122.2° |
| C5' | C4' | O4' | C1' | 154.5° | 159.4° |
| C5' | C4' | C3' | O3' | 111.9° | 98.6° |
| C5' | C4' | C3' | H3' | 7.9° | 24.1° |
| H5' | C5' | C4' | C3' | 86.6° | 65.0° |
| H5' | C5' | C4' | O4' | 34.6° | 50.4° |
| H5' | C5' | C4' | H4' | 155.9° | 172.7° |
| H5'A | C5' | C4' | C3' | 33.1° | 55.0° |
| H5'A | C5' | C4' | O4' | 154.2° | 170.4° |
| H5'A | C5' | C4' | H4' | 84.5° | 67.3° |
| C3' | C4' | O4' | H4' | 118.2° | 118.9° |
| C3' | C4' | O4' | C1' | 28.1° | 40.5° |
| C4' | C3' | O3' | H3' | 123.8° | 122.7° |
| C4' | C3' | O3' | HO3' | 108.6° | 180.0° |
| C4' | O4' | C1' | H1' | 85.6° | 78.3° |
| O4' | C4' | C3' | O3' | 124.8° | 142.6° |
| O4' | C4' | C3' | H3' | 115.5° | 94.7° |
| H4' | C4' | O4' | C1' | 90.1° | 78.4° |
| H4' | C4' | C3' | O3' | 3.2° | 23.7° |
| H4' | C4' | C3' | H3' | 122.9° | 146.4° |
| H3' | C3' | O3' | HO3' | 127.6° | 57.4° |
