A47
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3P | P | doub | 1.48Å | 1.48Å | |
| P | O1P | sing | 1.61Å | 1.50Å | |
| P | O2P | sing | 1.61Å | 1.61Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| O1P | H1P | sing | 0.97Å | 0.95Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.45Å | 1.45Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HA | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.11Å | |
| C1' | N9 | sing | 1.47Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.41Å | |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| N6 | O1 | sing | 1.42Å | 1.44Å | |
| N6 | H6 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| O1 | C1 | sing | 1.43Å | 1.37Å | |
| C1 | H1C1 | sing | 1.09Å | 1.11Å | |
| C1 | H1C2 | sing | 1.09Å | 1.11Å | |
| C1 | H1C3 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3P | P | O1P | 119.9° | 109.5° |
| O3P | P | O2P | 104.8° | 109.4° |
| O3P | P | O5' | 109.1° | 109.5° |
| O1P | P | O2P | 111.1° | 109.5° |
| O1P | P | O5' | 108.0° | 109.5° |
| P | O1P | H1P | 119.8° | 106.8° |
| O2P | P | O5' | 102.6° | 109.5° |
| P | O2P | H2P | 104.8° | 106.8° |
| P | O5' | C5' | 120.8° | 106.8° |
| O5' | C5' | C4' | 110.0° | 109.5° |
| O5' | C5' | H5'1 | 112.0° | 109.4° |
| O5' | C5' | H5'2 | 112.0° | 109.5° |
| C4' | C5' | H5'1 | 112.0° | 109.5° |
| C4' | C5' | H5'2 | 112.0° | 109.5° |
| C5' | C4' | O4' | 110.3° | 110.8° |
| C5' | C4' | C3' | 115.3° | 110.6° |
| C5' | C4' | H4' | 108.3° | 110.6° |
| H5'1 | C5' | H5'2 | 98.5° | 109.5° |
| O4' | C4' | C3' | 106.3° | 103.6° |
| O4' | C4' | H4' | 108.2° | 110.5° |
| C4' | O4' | C1' | 110.4° | 106.9° |
| C3' | C4' | H4' | 108.2° | 110.7° |
| C4' | C3' | O3' | 107.7° | 110.9° |
| C4' | C3' | C2' | 104.6° | 102.1° |
| C4' | C3' | H3' | 111.1° | 110.9° |
| O4' | C1' | C2' | 105.3° | 107.4° |
| O4' | C1' | N9 | 107.2° | 109.8° |
| O4' | C1' | H1' | 109.5° | 109.9° |
| O3' | C3' | C2' | 110.9° | 110.9° |
| O3' | C3' | H3' | 111.1° | 110.8° |
| C3' | O3' | HA | 107.7° | 106.8° |
| C2' | C3' | H3' | 111.1° | 111.0° |
| C3' | C2' | C1' | 103.9° | 104.2° |
| C3' | C2' | H2'1 | 114.3° | 110.5° |
| C3' | C2' | H2'2 | 114.3° | 110.5° |
| C1' | C2' | H2'1 | 114.3° | 110.5° |
| C1' | C2' | H2'2 | 114.3° | 110.5° |
| C2' | C1' | N9 | 115.6° | 109.9° |
| C2' | C1' | H1' | 109.5° | 109.9° |
| H2'1 | C2' | H2'2 | 96.2° | 110.5° |
| N9 | C1' | H1' | 109.5° | 109.9° |
| C1' | N9 | C8 | 127.3° | 126.3° |
| C1' | N9 | C4 | 127.0° | 126.3° |
| C8 | N9 | C4 | 105.7° | 107.4° |
| N9 | C8 | N7 | 113.9° | 110.0° |
| N9 | C8 | H8 | 123.0° | 125.0° |
| N9 | C4 | C5 | 105.8° | 106.0° |
| N9 | C4 | N3 | 127.4° | 134.9° |
| N7 | C8 | H8 | 123.0° | 125.0° |
| C8 | N7 | C5 | 103.8° | 109.4° |
| N7 | C5 | C6 | 132.4° | 134.7° |
| N7 | C5 | C4 | 110.7° | 107.1° |
| C6 | C5 | C4 | 117.0° | 118.2° |
| C5 | C6 | N6 | 124.3° | 120.8° |
| C5 | C6 | N1 | 117.4° | 118.4° |
| C5 | C4 | N3 | 126.8° | 119.1° |
| N6 | C6 | N1 | 118.3° | 120.8° |
| C6 | N6 | O1 | 113.0° | 120.0° |
| C6 | N6 | H6 | 123.5° | 120.0° |
| C6 | N1 | C2 | 118.9° | 121.2° |
| O1 | N6 | H6 | 123.5° | 120.1° |
| N6 | O1 | C1 | 110.4° | 106.8° |
| N1 | C2 | N3 | 129.2° | 122.4° |
| N1 | C2 | H2 | 115.4° | 118.7° |
| N3 | C2 | H2 | 115.4° | 118.8° |
| C2 | N3 | C4 | 110.7° | 120.6° |
| O1 | C1 | H1C1 | 110.4° | 109.5° |
| O1 | C1 | H1C2 | 111.9° | 109.4° |
| O1 | C1 | H1C3 | 111.9° | 109.5° |
| H1C1 | C1 | H1C2 | 111.9° | 109.5° |
| H1C1 | C1 | H1C3 | 111.8° | 109.4° |
| H1C2 | C1 | H1C3 | 98.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O1P | O2P | 122.5° | 120.0° |
| O3P | P | O1P | O5' | 125.7° | 120.0° |
| O3P | P | O2P | O5' | 114.0° | 120.0° |
| O3P | P | O1P | H1P | 180.0° | 60.0° |
| O3P | P | O2P | H2P | 180.0° | 180.0° |
| O3P | P | O5' | C5' | 67.5° | 55.0° |
| O1P | P | O2P | O5' | 115.2° | 120.0° |
| O1P | P | O2P | H2P | 49.2° | 60.1° |
| O1P | P | O5' | C5' | 160.7° | 175.0° |
| O2P | P | O1P | H1P | 57.5° | 60.0° |
| O2P | P | O5' | C5' | 43.3° | 65.0° |
| O5' | P | O1P | H1P | 54.3° | 180.0° |
| O5' | P | O2P | H2P | 66.0° | 60.0° |
| P | O5' | C5' | C4' | 156.6° | 180.0° |
| P | O5' | C5' | H5'1 | 31.3° | 60.0° |
| P | O5' | C5' | H5'2 | 78.2° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.2° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.2° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 117.9° | 120.0° |
| O5' | C5' | C4' | O4' | 66.6° | 70.8° |
| O5' | C5' | C4' | C3' | 53.9° | 175.0° |
| O5' | C5' | C4' | H4' | 175.2° | 52.1° |
| C4' | C5' | H5'1 | H5'2 | 117.9° | 120.0° |
| C5' | C4' | O4' | C3' | 125.7° | 118.6° |
| C5' | C4' | O4' | H4' | 118.2° | 122.9° |
| C5' | C4' | C3' | H4' | 121.4° | 122.9° |
| C5' | C4' | O4' | C1' | 137.5° | 158.5° |
| C5' | C4' | C3' | O3' | 127.5° | 86.1° |
| C5' | C4' | C3' | C2' | 114.4° | 155.7° |
| C5' | C4' | C3' | H3' | 5.6° | 37.4° |
| H5'1 | C5' | C4' | O4' | 58.6° | 169.3° |
| H5'1 | C5' | C4' | C3' | 179.1° | 55.0° |
| H5'1 | C5' | C4' | H4' | 59.6° | 67.9° |
| H5'2 | C5' | C4' | O4' | 168.2° | 49.3° |
| H5'2 | C5' | C4' | C3' | 71.4° | 65.0° |
| H5'2 | C5' | C4' | H4' | 50.0° | 172.1° |
| O4' | C4' | C3' | H4' | 116.0° | 118.4° |
| O4' | C4' | C3' | O3' | 109.9° | 155.1° |
| O4' | C4' | C3' | C2' | 8.2° | 37.0° |
| O4' | C4' | C3' | H3' | 128.2° | 81.3° |
| C4' | O4' | C1' | C2' | 27.0° | 26.4° |
| C4' | O4' | C1' | N9 | 150.6° | 145.8° |
| C4' | O4' | C1' | H1' | 90.7° | 93.2° |
| C3' | C4' | O4' | C1' | 11.8° | 39.9° |
| C4' | C3' | O3' | C2' | 114.0° | 112.7° |
| C4' | C3' | O3' | H3' | 121.9° | 123.7° |
| C4' | C3' | C2' | H3' | 120.0° | 118.2° |
| C4' | C3' | O3' | HA | 180.0° | 174.2° |
| C4' | C3' | C2' | C1' | 23.4° | 20.9° |
| C4' | C3' | C2' | H2'1 | 148.7° | 97.8° |
| C4' | C3' | C2' | H2'2 | 101.8° | 139.6° |
| H4' | C4' | O4' | C1' | 104.3° | 78.6° |
| H4' | C4' | C3' | O3' | 6.1° | 36.7° |
| H4' | C4' | C3' | C2' | 124.2° | 81.5° |
| H4' | C4' | C3' | H3' | 115.8° | 160.3° |
| O4' | C1' | C2' | C3' | 30.9° | 2.0° |
| O4' | C1' | C2' | N9 | 118.1° | 119.4° |
| O4' | C1' | C2' | H1' | 117.7° | 119.5° |
| O4' | C1' | C2' | H2'1 | 156.2° | 120.7° |
| O4' | C1' | C2' | H2'2 | 94.4° | 116.7° |
| O4' | C1' | N9 | H1' | 118.8° | 121.0° |
| O4' | C1' | N9 | C8 | 52.4° | 23.3° |
| O4' | C1' | N9 | C4 | 125.1° | 156.7° |
| O3' | C3' | C2' | H3' | 124.2° | 123.6° |
| O3' | C3' | C2' | C1' | 92.4° | 139.1° |
| O3' | C3' | C2' | H2'1 | 32.8° | 20.4° |
| O3' | C3' | C2' | H2'2 | 142.3° | 102.2° |
| C2' | C3' | O3' | HA | 66.0° | 61.5° |
| C3' | C2' | C1' | H2'1 | 125.3° | 118.7° |
| C3' | C2' | C1' | H2'2 | 125.3° | 118.7° |
| C3' | C2' | H2'1 | H2'2 | 120.2° | 122.6° |
| C3' | C2' | C1' | N9 | 149.0° | 121.4° |
| C3' | C2' | C1' | H1' | 86.8° | 117.6° |
| H3' | C3' | O3' | HA | 58.1° | 62.2° |
| H3' | C3' | C2' | C1' | 143.4° | 97.3° |
| H3' | C3' | C2' | H2'1 | 91.3° | 144.0° |
| H3' | C3' | C2' | H2'2 | 18.2° | 21.4° |
| C1' | C2' | H2'1 | H2'2 | 120.2° | 122.6° |
| C2' | C1' | N9 | H1' | 124.2° | 121.0° |
| C2' | C1' | N9 | C8 | 64.7° | 94.7° |
| C2' | C1' | N9 | C4 | 117.8° | 85.3° |
| H2'1 | C2' | C1' | N9 | 85.7° | 119.9° |
| H2'1 | C2' | C1' | H1' | 38.5° | 1.1° |
| H2'2 | C2' | C1' | N9 | 23.8° | 2.7° |
| H2'2 | C2' | C1' | H1' | 148.0° | 123.8° |
| C1' | N9 | C8 | C4 | 177.9° | 180.0° |
| C1' | N9 | C8 | N7 | 176.5° | 180.0° |
| C1' | N9 | C8 | H8 | 3.5° | 0.1° |
| C1' | N9 | C4 | C5 | 176.4° | 179.8° |
| C1' | N9 | C4 | N3 | 2.5° | 0.0° |
| H1' | C1' | N9 | C8 | 171.2° | 144.3° |
| H1' | C1' | N9 | C4 | 6.3° | 35.7° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.6° | 0.3° |
| C8 | N9 | C4 | C5 | 1.5° | 0.2° |
| C8 | N9 | C4 | N3 | 179.6° | 180.0° |
| C4 | N9 | C8 | N7 | 1.4° | 0.0° |
| C4 | N9 | C8 | H8 | 178.6° | 179.9° |
| N9 | C4 | C5 | N7 | 1.2° | 0.4° |
| N9 | C4 | C5 | C6 | 178.6° | 179.6° |
| N9 | C4 | C5 | N3 | 178.9° | 179.8° |
| N9 | C4 | N3 | C2 | 178.6° | 180.0° |
| C8 | N7 | C5 | C6 | 179.4° | 179.5° |
| C8 | N7 | C5 | C4 | 0.4° | 0.4° |
| H8 | C8 | N7 | C5 | 179.4° | 179.8° |
| N7 | C5 | C6 | C4 | 179.8° | 179.0° |
| N7 | C5 | C6 | N6 | 2.5° | 0.8° |
| N7 | C5 | C6 | N1 | 179.8° | 179.5° |
| N7 | C5 | C4 | N3 | 179.9° | 179.8° |
| C5 | C6 | N6 | N1 | 177.7° | 179.7° |
| C5 | C6 | N6 | O1 | 16.4° | 179.7° |
| C5 | C6 | N6 | H6 | 163.6° | 0.3° |
| C5 | C6 | N1 | C2 | 0.3° | 0.3° |
| C6 | C5 | C4 | N3 | 0.3° | 0.6° |
| C4 | C5 | C6 | N6 | 177.3° | 179.7° |
| C4 | C5 | C6 | N1 | 0.4° | 0.6° |
| C5 | C4 | N3 | C2 | 0.0° | 0.3° |
| C6 | N6 | O1 | H6 | 180.0° | 180.0° |
| N6 | C6 | N1 | C2 | 177.5° | 180.0° |
| C6 | N6 | O1 | C1 | 140.5° | 180.0° |
| N1 | C6 | N6 | O1 | 165.9° | 0.0° |
| N1 | C6 | N6 | H6 | 14.1° | 180.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.0° |
| C6 | N1 | C2 | H2 | 180.0° | 180.0° |
| N6 | O1 | C1 | H1C1 | 180.0° | 180.0° |
| N6 | O1 | C1 | H1C2 | 54.7° | 60.0° |
| N6 | O1 | C1 | H1C3 | 54.7° | 60.0° |
| H6 | N6 | O1 | C1 | 39.5° | 0.1° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| H2 | C2 | N3 | C4 | 179.9° | 180.0° |
| O1 | C1 | H1C1 | H1C2 | 125.3° | 120.0° |
| O1 | C1 | H1C1 | H1C3 | 125.2° | 120.0° |
| O1 | C1 | H1C2 | H1C3 | 117.8° | 120.0° |
| H1C1 | C1 | H1C2 | H1C3 | 117.8° | 120.0° |
