A43
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | sing | 1.48Å | 1.46Å | |
| P | O2P | doub | 1.61Å | 1.62Å | |
| P | O3P | sing | 1.61Å | 1.48Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| O1P | H1P | sing | 4.83Å | 0.95Å | |
| O3P | H3P | 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 | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.45Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | C2' | sing | 1.54Å | 1.52Å | |
| C3' | N | sing | 1.47Å | 1.45Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C1' | N9 | sing | 1.47Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| 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 | 1.06Å | |
| N7 | C5 | sing | 1.35Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| N6 | H6N1 | sing | 0.97Å | 1.00Å | |
| N6 | H6N2 | sing | 0.97Å | 1.00Å | |
| N1 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.06Å | |
| N3 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
| N | HN1 | sing | 1.01Å | 1.03Å | |
| N | HN2 | sing | 1.01Å | 1.03Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 110.0° | 109.5° |
| O1P | P | O3P | 119.8° | 109.4° |
| O1P | P | O5' | 105.2° | 109.5° |
| P | O1P | H1P | 110.0° | 79.5° |
| O2P | P | O3P | 107.5° | 109.5° |
| O2P | P | O5' | 106.2° | 109.5° |
| O3P | P | O5' | 107.4° | 109.5° |
| P | O3P | H3P | 119.8° | 106.7° |
| P | O5' | C5' | 122.2° | 106.8° |
| O5' | C5' | C4' | 109.7° | 109.5° |
| O5' | C5' | H5'1 | 109.4° | 109.5° |
| O5' | C5' | H5'2 | 109.3° | 109.5° |
| C4' | C5' | H5'1 | 109.4° | 109.4° |
| C4' | C5' | H5'2 | 109.3° | 109.4° |
| C5' | C4' | O4' | 109.1° | 110.3° |
| C5' | C4' | C3' | 117.0° | 110.6° |
| C5' | C4' | H4' | 102.5° | 110.3° |
| H5'1 | C5' | H5'2 | 109.7° | 109.5° |
| O4' | C4' | C3' | 102.1° | 104.7° |
| O4' | C4' | H4' | 117.3° | 110.4° |
| C4' | O4' | C1' | 109.0° | 105.3° |
| C3' | C4' | H4' | 109.4° | 110.3° |
| C4' | C3' | C2' | 99.7° | 104.2° |
| C4' | C3' | N | 112.6° | 110.5° |
| C4' | C3' | H3' | 115.3° | 110.5° |
| O4' | C1' | C2' | 106.0° | 104.8° |
| O4' | C1' | N9 | 108.0° | 110.5° |
| O4' | C1' | H1' | 114.0° | 110.4° |
| C2' | C3' | N | 113.6° | 110.5° |
| C2' | C3' | H3' | 114.3° | 110.5° |
| C3' | C2' | C1' | 100.9° | 104.0° |
| C3' | C2' | H2'1 | 111.6° | 110.5° |
| C3' | C2' | H2'2 | 114.4° | 110.6° |
| N | C3' | H3' | 101.9° | 110.4° |
| C3' | N | HN1 | 109.5° | 106.7° |
| C3' | N | HN2 | 109.5° | 106.7° |
| C1' | C2' | H2'1 | 111.6° | 110.5° |
| C1' | C2' | H2'2 | 114.4° | 110.5° |
| C2' | C1' | N9 | 113.1° | 110.4° |
| C2' | C1' | H1' | 108.9° | 110.4° |
| H2'1 | C2' | H2'2 | 104.3° | 110.5° |
| N9 | C1' | H1' | 107.0° | 110.3° |
| C1' | N9 | C8 | 126.0° | 126.3° |
| C1' | N9 | C4 | 128.5° | 126.3° |
| C8 | N9 | C4 | 105.5° | 107.5° |
| N9 | C8 | N7 | 114.0° | 110.0° |
| N9 | C8 | H8 | 123.0° | 125.0° |
| N9 | C4 | C5 | 105.6° | 106.0° |
| N9 | C4 | N3 | 128.2° | 134.9° |
| N7 | C8 | H8 | 123.0° | 125.0° |
| C8 | N7 | C5 | 104.0° | 109.4° |
| N7 | C5 | C6 | 131.9° | 134.7° |
| N7 | C5 | C4 | 110.9° | 107.2° |
| C6 | C5 | C4 | 117.2° | 118.1° |
| C5 | C6 | N6 | 123.5° | 120.7° |
| C5 | C6 | N1 | 117.6° | 118.5° |
| C5 | C4 | N3 | 126.1° | 119.1° |
| N6 | C6 | N1 | 118.9° | 120.8° |
| C6 | N6 | H6N1 | 120.0° | 120.0° |
| C6 | N6 | H6N2 | 120.0° | 119.9° |
| C6 | N1 | C2 | 119.1° | 121.2° |
| H6N1 | N6 | H6N2 | 120.0° | 120.0° |
| N1 | C2 | N3 | 129.3° | 122.5° |
| N1 | C2 | H2 | 115.4° | 118.7° |
| N3 | C2 | H2 | 115.3° | 118.8° |
| C2 | N3 | C4 | 110.6° | 120.7° |
| HN1 | N | HN2 | 109.5° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 132.0° | 120.0° |
| O1P | P | O2P | O5' | 113.4° | 120.0° |
| O1P | P | O3P | O5' | 119.7° | 120.0° |
| O1P | P | O3P | H3P | 180.0° | 180.0° |
| O1P | P | O5' | C5' | 174.6° | 55.0° |
| O2P | P | O3P | O5' | 113.9° | 120.0° |
| O2P | P | O1P | H1P | 180.0° | 119.8° |
| O2P | P | O3P | H3P | 53.6° | 60.0° |
| O2P | P | O5' | C5' | 58.0° | 175.0° |
| O3P | P | O1P | H1P | 54.8° | 120.3° |
| O3P | P | O5' | C5' | 56.7° | 65.0° |
| O5' | P | O1P | H1P | 66.0° | 0.3° |
| O5' | P | O3P | H3P | 60.2° | 60.0° |
| P | O5' | C5' | C4' | 174.2° | 180.0° |
| P | O5' | C5' | H5'1 | 65.7° | 60.0° |
| P | O5' | C5' | H5'2 | 54.4° | 60.0° |
| O5' | C5' | C4' | H5'1 | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'2 | 119.9° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 119.9° | 120.1° |
| O5' | C5' | C4' | O4' | 63.4° | 66.5° |
| O5' | C5' | C4' | C3' | 51.8° | 178.1° |
| O5' | C5' | C4' | H4' | 171.6° | 55.8° |
| C4' | C5' | H5'1 | H5'2 | 119.9° | 119.9° |
| C5' | C4' | O4' | C3' | 124.5° | 119.1° |
| C5' | C4' | O4' | H4' | 115.9° | 122.2° |
| C5' | C4' | C3' | H4' | 116.0° | 122.3° |
| C5' | C4' | O4' | C1' | 154.0° | 159.5° |
| C5' | C4' | C3' | C2' | 164.1° | 142.7° |
| C5' | C4' | C3' | N | 75.1° | 98.6° |
| C5' | C4' | C3' | H3' | 41.3° | 24.0° |
| H5'1 | C5' | C4' | O4' | 176.6° | 173.5° |
| H5'1 | C5' | C4' | C3' | 68.2° | 58.1° |
| H5'1 | C5' | C4' | H4' | 51.5° | 64.2° |
| H5'2 | C5' | C4' | O4' | 56.5° | 53.6° |
| H5'2 | C5' | C4' | C3' | 171.7° | 61.8° |
| H5'2 | C5' | C4' | H4' | 68.6° | 175.8° |
| O4' | C4' | C3' | H4' | 125.0° | 118.8° |
| O4' | C4' | C3' | C2' | 45.1° | 23.9° |
| O4' | C4' | C3' | N | 165.9° | 142.5° |
| O4' | C4' | C3' | H3' | 77.8° | 94.9° |
| C4' | O4' | C1' | C2' | 1.8° | 40.4° |
| C4' | O4' | C1' | N9 | 123.3° | 159.3° |
| C4' | O4' | C1' | H1' | 118.0° | 78.4° |
| C3' | C4' | O4' | C1' | 29.5° | 40.4° |
| C4' | C3' | C2' | N | 120.0° | 118.7° |
| C4' | C3' | C2' | H3' | 123.6° | 118.8° |
| C4' | C3' | N | H3' | 124.1° | 122.6° |
| C4' | C3' | C2' | C1' | 43.2° | 0.0° |
| C4' | C3' | C2' | H2'1 | 161.8° | 118.6° |
| C4' | C3' | C2' | H2'2 | 80.2° | 118.7° |
| C4' | C3' | N | HN1 | 137.3° | 178.1° |
| C4' | C3' | N | HN2 | 102.7° | 68.1° |
| H4' | C4' | O4' | C1' | 90.1° | 78.3° |
| H4' | C4' | C3' | C2' | 79.9° | 94.9° |
| H4' | C4' | C3' | N | 40.9° | 23.7° |
| H4' | C4' | C3' | H3' | 157.2° | 146.3° |
| O4' | C1' | C2' | C3' | 26.7° | 24.0° |
| O4' | C1' | C2' | N9 | 118.1° | 118.9° |
| O4' | C1' | C2' | H1' | 123.1° | 118.8° |
| O4' | C1' | C2' | H2'1 | 145.3° | 94.7° |
| O4' | C1' | C2' | H2'2 | 96.6° | 142.7° |
| O4' | C1' | N9 | H1' | 123.1° | 122.3° |
| O4' | C1' | N9 | C8 | 17.3° | 20.5° |
| O4' | C1' | N9 | C4 | 163.8° | 159.8° |
| C2' | C3' | N | H3' | 123.4° | 122.6° |
| C3' | C2' | C1' | H2'1 | 118.6° | 118.7° |
| C3' | C2' | C1' | H2'2 | 123.3° | 118.7° |
| C3' | C2' | H2'1 | H2'2 | 124.0° | 122.8° |
| C3' | C2' | C1' | N9 | 91.4° | 142.9° |
| C3' | C2' | C1' | H1' | 149.8° | 94.9° |
| C2' | C3' | N | HN1 | 24.9° | 63.3° |
| C2' | C3' | N | HN2 | 144.9° | 177.1° |
| N | C3' | C2' | C1' | 163.2° | 118.7° |
| N | C3' | C2' | H2'1 | 78.2° | 122.7° |
| N | C3' | C2' | H2'2 | 39.8° | 0.0° |
| C3' | N | HN1 | HN2 | 120.0° | 113.8° |
| H3' | C3' | C2' | C1' | 80.4° | 118.8° |
| H3' | C3' | C2' | H2'1 | 38.2° | 0.2° |
| H3' | C3' | C2' | H2'2 | 156.2° | 122.5° |
| H3' | C3' | N | HN1 | 98.5° | 59.3° |
| H3' | C3' | N | HN2 | 21.5° | 54.5° |
| C1' | C2' | H2'1 | H2'2 | 124.0° | 122.6° |
| C2' | C1' | N9 | H1' | 119.9° | 122.3° |
| C2' | C1' | N9 | C8 | 99.6° | 94.9° |
| C2' | C1' | N9 | C4 | 79.2° | 84.7° |
| H2'1 | C2' | C1' | N9 | 27.2° | 24.3° |
| H2'1 | C2' | C1' | H1' | 91.6° | 146.5° |
| H2'2 | C2' | C1' | N9 | 145.2° | 98.4° |
| H2'2 | C2' | C1' | H1' | 26.5° | 23.8° |
| C1' | N9 | C8 | C4 | 179.1° | 179.7° |
| C1' | N9 | C8 | N7 | 178.9° | 180.0° |
| C1' | N9 | C8 | H8 | 1.1° | 0.1° |
| C1' | N9 | C4 | C5 | 179.0° | 179.9° |
| C1' | N9 | C4 | N3 | 0.3° | 0.8° |
| H1' | C1' | N9 | C8 | 140.4° | 142.8° |
| H1' | C1' | N9 | C4 | 40.7° | 37.5° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.3° | 0.0° |
| C8 | N9 | C4 | C5 | 0.0° | 0.4° |
| C8 | N9 | C4 | N3 | 179.3° | 179.5° |
| C4 | N9 | C8 | N7 | 0.2° | 0.3° |
| C4 | N9 | C8 | H8 | 179.8° | 179.8° |
| N9 | C4 | C5 | N7 | 0.2° | 0.4° |
| N9 | C4 | C5 | C6 | 179.8° | 179.8° |
| N9 | C4 | C5 | N3 | 179.3° | 179.3° |
| N9 | C4 | N3 | C2 | 178.5° | 179.6° |
| C8 | N7 | C5 | C6 | 179.9° | 180.0° |
| C8 | N7 | C5 | C4 | 0.3° | 0.2° |
| H8 | C8 | N7 | C5 | 179.7° | 179.9° |
| N7 | C5 | C6 | C4 | 179.6° | 179.8° |
| N7 | C5 | C6 | N6 | 1.9° | 0.1° |
| N7 | C5 | C6 | N1 | 178.4° | 180.0° |
| N7 | C5 | C4 | N3 | 179.1° | 179.7° |
| C5 | C6 | N6 | N1 | 179.8° | 179.9° |
| C5 | C6 | N6 | H6N1 | 0.0° | 0.0° |
| C5 | C6 | N6 | H6N2 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.7° | 0.1° |
| C6 | C5 | C4 | N3 | 0.5° | 0.5° |
| C4 | C5 | C6 | N6 | 178.6° | 179.7° |
| C4 | C5 | C6 | N1 | 1.2° | 0.2° |
| C5 | C4 | N3 | C2 | 0.7° | 0.6° |
| C6 | N6 | H6N1 | H6N2 | 180.0° | 180.0° |
| N6 | C6 | N1 | C2 | 179.1° | 179.9° |
| N1 | C6 | N6 | H6N1 | 179.8° | 179.9° |
| N1 | C6 | N6 | H6N2 | 0.2° | 0.1° |
| C6 | N1 | C2 | N3 | 0.7° | 0.0° |
| C6 | N1 | C2 | H2 | 179.3° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 1.4° | 0.3° |
| H2 | C2 | N3 | C4 | 178.6° | 179.7° |
