A38
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3P | P | sing | 1.48Å | 1.48Å | |
| O3P | H3P | sing | 4.68Å | 0.99Å | |
| P | O1P | doub | 1.61Å | 1.48Å | |
| P | O2P | sing | 1.61Å | 1.61Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| O2P | H2P | sing | 0.97Å | 0.99Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| 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 | 1.55Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.60Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HA | sing | 0.97Å | 0.99Å | |
| C2' | C1' | sing | 1.54Å | 1.58Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C1' | N9 | sing | 1.47Å | 1.49Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.35Å | 1.39Å | |
| N9 | C4 | sing | 1.38Å | 1.41Å | |
| C8 | N7 | sing | 1.35Å | 1.34Å | |
| C8 | O | doub | 1.22Å | 1.23Å | |
| N7 | C5 | sing | 1.39Å | 1.36Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.39Å | 1.33Å | |
| C6 | N1 | sing | 1.33Å | 1.34Å | 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 | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.06Å | |
| N3 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | O3P | H3P | 109.5° | 83.1° |
| O3P | P | O1P | 119.7° | 109.5° |
| O3P | P | O2P | 108.8° | 109.4° |
| O3P | P | O5' | 107.6° | 109.4° |
| O1P | P | O2P | 108.0° | 109.5° |
| O1P | P | O5' | 108.3° | 109.5° |
| O2P | P | O5' | 103.2° | 109.5° |
| P | O2P | H2P | 109.5° | 106.7° |
| P | O5' | C5' | 121.4° | 106.8° |
| O5' | C5' | C4' | 112.0° | 109.5° |
| O5' | C5' | H5'1 | 108.9° | 109.5° |
| O5' | C5' | H5'2 | 108.0° | 109.5° |
| C4' | C5' | H5'1 | 108.9° | 109.5° |
| C4' | C5' | H5'2 | 108.0° | 109.5° |
| C5' | C4' | O4' | 112.6° | 110.7° |
| C5' | C4' | C3' | 112.4° | 110.6° |
| C5' | C4' | H4' | 104.9° | 110.6° |
| H5'1 | C5' | H5'2 | 111.2° | 109.4° |
| O4' | C4' | C3' | 108.5° | 103.5° |
| O4' | C4' | H4' | 109.1° | 110.5° |
| C4' | O4' | C1' | 107.0° | 106.9° |
| C3' | C4' | H4' | 109.3° | 110.6° |
| C4' | C3' | O3' | 106.1° | 110.9° |
| C4' | C3' | C2' | 98.4° | 102.1° |
| C4' | C3' | H3' | 119.3° | 110.9° |
| O4' | C1' | C2' | 99.4° | 107.4° |
| O4' | C1' | N9 | 106.7° | 109.9° |
| O4' | C1' | H1' | 119.9° | 109.9° |
| O3' | C3' | C2' | 112.4° | 110.9° |
| O3' | C3' | H3' | 106.9° | 110.8° |
| C3' | O3' | HA | 109.5° | 106.8° |
| C2' | C3' | H3' | 113.6° | 110.9° |
| C3' | C2' | C1' | 95.5° | 104.2° |
| C3' | C2' | H2'1 | 112.8° | 110.4° |
| C3' | C2' | H2'2 | 117.4° | 110.5° |
| C1' | C2' | H2'1 | 112.8° | 110.5° |
| C1' | C2' | H2'2 | 117.4° | 110.5° |
| C2' | C1' | N9 | 116.1° | 109.8° |
| C2' | C1' | H1' | 111.0° | 109.9° |
| H2'1 | C2' | H2'2 | 101.5° | 110.5° |
| N9 | C1' | H1' | 104.3° | 109.9° |
| C1' | N9 | C8 | 123.6° | 125.7° |
| C1' | N9 | C4 | 129.7° | 125.6° |
| C8 | N9 | C4 | 106.6° | 108.6° |
| N9 | C8 | N7 | 105.8° | 109.6° |
| N9 | C8 | O | 129.0° | 125.2° |
| N9 | C4 | C5 | 109.4° | 106.8° |
| N9 | C4 | N3 | 125.2° | 134.2° |
| N7 | C8 | O | 125.1° | 125.2° |
| C8 | N7 | C5 | 114.4° | 108.1° |
| C8 | N7 | H7 | 122.8° | 126.0° |
| C5 | N7 | H7 | 122.8° | 125.9° |
| N7 | C5 | C6 | 137.9° | 134.6° |
| N7 | C5 | C4 | 103.7° | 106.9° |
| C6 | C5 | C4 | 118.4° | 118.5° |
| C5 | C6 | N6 | 124.6° | 120.7° |
| C5 | C6 | N1 | 116.5° | 118.6° |
| C5 | C4 | N3 | 125.4° | 119.0° |
| N6 | C6 | N1 | 118.9° | 120.7° |
| C6 | N6 | H6N1 | 120.0° | 120.0° |
| C6 | N6 | H6N2 | 120.0° | 120.0° |
| C6 | N1 | C2 | 119.7° | 120.9° |
| H6N1 | N6 | H6N2 | 120.0° | 120.0° |
| N1 | C2 | N3 | 129.1° | 122.3° |
| N1 | C2 | H2 | 115.4° | 118.9° |
| N3 | C2 | H2 | 115.4° | 118.8° |
| C2 | N3 | C4 | 110.8° | 120.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O1P | O2P | 125.1° | 120.0° |
| O3P | P | O1P | O5' | 123.7° | 120.0° |
| O3P | P | O2P | O5' | 114.1° | 120.0° |
| O3P | P | O2P | H2P | 105.4° | 180.0° |
| O3P | P | O5' | C5' | 170.5° | 55.0° |
| H3P | O3P | P | O1P | 160.3° | 120.6° |
| H3P | O3P | P | O2P | 74.9° | 119.3° |
| H3P | O3P | P | O5' | 36.3° | 0.6° |
| O1P | P | O2P | O5' | 114.6° | 120.0° |
| O1P | P | O2P | H2P | 123.3° | 60.0° |
| O1P | P | O5' | C5' | 39.8° | 175.0° |
| O2P | P | O5' | C5' | 74.5° | 65.0° |
| O5' | P | O2P | H2P | 8.7° | 60.0° |
| P | O5' | C5' | C4' | 179.3° | 180.0° |
| P | O5' | C5' | H5'1 | 60.3° | 60.0° |
| P | O5' | C5' | H5'2 | 60.5° | 60.0° |
| O5' | C5' | C4' | H5'1 | 120.4° | 120.0° |
| O5' | C5' | C4' | H5'2 | 118.8° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 118.9° | 120.0° |
| O5' | C5' | C4' | O4' | 64.3° | 70.8° |
| O5' | C5' | C4' | C3' | 58.6° | 175.0° |
| O5' | C5' | C4' | H4' | 177.2° | 52.1° |
| C4' | C5' | H5'1 | H5'2 | 118.9° | 120.0° |
| C5' | C4' | O4' | C3' | 125.0° | 118.6° |
| C5' | C4' | O4' | H4' | 116.0° | 122.9° |
| C5' | C4' | C3' | H4' | 116.1° | 122.9° |
| C5' | C4' | O4' | C1' | 136.8° | 158.5° |
| C5' | C4' | C3' | O3' | 141.8° | 86.2° |
| C5' | C4' | C3' | C2' | 101.9° | 155.6° |
| C5' | C4' | C3' | H3' | 21.3° | 37.4° |
| H5'1 | C5' | C4' | O4' | 175.3° | 169.2° |
| H5'1 | C5' | C4' | C3' | 61.8° | 55.0° |
| H5'1 | C5' | C4' | H4' | 56.8° | 67.9° |
| H5'2 | C5' | C4' | O4' | 54.5° | 49.3° |
| H5'2 | C5' | C4' | C3' | 177.4° | 64.9° |
| H5'2 | C5' | C4' | H4' | 64.0° | 172.2° |
| O4' | C4' | C3' | H4' | 118.8° | 118.4° |
| O4' | C4' | C3' | O3' | 93.1° | 155.1° |
| O4' | C4' | C3' | C2' | 23.3° | 36.9° |
| O4' | C4' | C3' | H3' | 146.4° | 81.3° |
| C4' | O4' | C1' | C2' | 42.0° | 26.4° |
| C4' | O4' | C1' | N9 | 163.1° | 145.8° |
| C4' | O4' | C1' | H1' | 78.9° | 93.1° |
| C3' | C4' | O4' | C1' | 11.8° | 39.9° |
| C4' | C3' | O3' | C2' | 106.5° | 112.7° |
| C4' | C3' | O3' | H3' | 128.3° | 123.6° |
| C4' | C3' | C2' | H3' | 127.2° | 118.2° |
| C4' | C3' | O3' | HA | 157.9° | 174.2° |
| C4' | C3' | C2' | C1' | 45.2° | 20.9° |
| C4' | C3' | C2' | H2'1 | 72.4° | 97.8° |
| C4' | C3' | C2' | H2'2 | 170.1° | 139.6° |
| H4' | C4' | O4' | C1' | 107.2° | 78.6° |
| H4' | C4' | C3' | O3' | 25.8° | 36.7° |
| H4' | C4' | C3' | C2' | 142.1° | 81.5° |
| H4' | C4' | C3' | H3' | 94.8° | 160.3° |
| O4' | C1' | C2' | C3' | 54.0° | 2.0° |
| O4' | C1' | C2' | N9 | 113.9° | 119.4° |
| O4' | C1' | C2' | H1' | 127.2° | 119.5° |
| O4' | C1' | C2' | H2'1 | 63.7° | 120.6° |
| O4' | C1' | C2' | H2'2 | 178.8° | 116.7° |
| O4' | C1' | N9 | H1' | 127.8° | 121.0° |
| O4' | C1' | N9 | C8 | 76.9° | 53.3° |
| O4' | C1' | N9 | C4 | 101.4° | 126.7° |
| O3' | C3' | C2' | H3' | 121.5° | 123.6° |
| O3' | C3' | C2' | C1' | 66.1° | 139.1° |
| O3' | C3' | C2' | H2'1 | 176.3° | 20.4° |
| O3' | C3' | C2' | H2'2 | 58.8° | 102.2° |
| C2' | C3' | O3' | HA | 51.5° | 61.5° |
| C3' | C2' | C1' | H2'1 | 117.6° | 118.6° |
| C3' | C2' | C1' | H2'2 | 124.9° | 118.7° |
| C3' | C2' | H2'1 | H2'2 | 126.6° | 122.6° |
| C3' | C2' | C1' | N9 | 167.9° | 121.5° |
| C3' | C2' | C1' | H1' | 73.2° | 117.5° |
| H3' | C3' | O3' | HA | 73.8° | 62.2° |
| H3' | C3' | C2' | C1' | 172.4° | 97.3° |
| H3' | C3' | C2' | H2'1 | 54.8° | 144.0° |
| H3' | C3' | C2' | H2'2 | 62.7° | 21.4° |
| C1' | C2' | H2'1 | H2'2 | 126.5° | 122.6° |
| C2' | C1' | N9 | H1' | 122.5° | 121.0° |
| C2' | C1' | N9 | C8 | 32.7° | 64.6° |
| C2' | C1' | N9 | C4 | 149.0° | 115.3° |
| H2'1 | C2' | C1' | N9 | 50.2° | 119.9° |
| H2'1 | C2' | C1' | H1' | 169.1° | 1.1° |
| H2'2 | C2' | C1' | N9 | 67.3° | 2.7° |
| H2'2 | C2' | C1' | H1' | 51.6° | 123.7° |
| C1' | N9 | C8 | C4 | 178.6° | 179.9° |
| C1' | N9 | C8 | N7 | 178.6° | 180.0° |
| C1' | N9 | C8 | O | 1.3° | 0.1° |
| C1' | N9 | C4 | C5 | 178.4° | 179.7° |
| C1' | N9 | C4 | N3 | 1.5° | 0.1° |
| H1' | C1' | N9 | C8 | 155.3° | 174.4° |
| H1' | C1' | N9 | C4 | 26.4° | 5.7° |
| N9 | C8 | N7 | O | 179.9° | 179.9° |
| N9 | C8 | N7 | C5 | 0.0° | 0.3° |
| N9 | C8 | N7 | H7 | 180.0° | 179.9° |
| C8 | N9 | C4 | C5 | 0.1° | 0.2° |
| C8 | N9 | C4 | N3 | 179.9° | 180.0° |
| C4 | N9 | C8 | N7 | 0.0° | 0.0° |
| C4 | N9 | C8 | O | 179.9° | 180.0° |
| N9 | C4 | C5 | N7 | 0.1° | 0.4° |
| N9 | C4 | C5 | C6 | 180.0° | 179.6° |
| N9 | C4 | C5 | N3 | 180.0° | 179.8° |
| N9 | C4 | N3 | C2 | 180.0° | 180.0° |
| C8 | N7 | C5 | H7 | 180.0° | 179.7° |
| C8 | N7 | C5 | C6 | 180.0° | 179.4° |
| C8 | N7 | C5 | C4 | 0.1° | 0.5° |
| O | C8 | N7 | C5 | 179.9° | 179.8° |
| O | C8 | N7 | H7 | 0.1° | 0.0° |
| N7 | C5 | C6 | C4 | 179.9° | 178.9° |
| N7 | C5 | C6 | N6 | 0.2° | 0.8° |
| N7 | C5 | C6 | N1 | 179.9° | 179.5° |
| N7 | C5 | C4 | N3 | 179.9° | 179.8° |
| H7 | N7 | C5 | C6 | 0.1° | 0.8° |
| H7 | N7 | C5 | C4 | 179.9° | 179.8° |
| C5 | C6 | N6 | N1 | 180.0° | 179.6° |
| C5 | C6 | N6 | H6N1 | 0.0° | 179.7° |
| C5 | C6 | N6 | H6N2 | 180.0° | 0.6° |
| C5 | C6 | N1 | C2 | 0.0° | 0.4° |
| C6 | C5 | C4 | N3 | 0.0° | 0.6° |
| C4 | C5 | C6 | N6 | 180.0° | 179.7° |
| C4 | C5 | C6 | N1 | 0.0° | 0.6° |
| C5 | C4 | N3 | C2 | 0.0° | 0.3° |
| C6 | N6 | H6N1 | H6N2 | 180.0° | 179.7° |
| N6 | C6 | N1 | C2 | 180.0° | 180.0° |
| N1 | C6 | N6 | H6N1 | 180.0° | 0.0° |
| N1 | C6 | N6 | H6N2 | 0.1° | 179.7° |
| C6 | N1 | C2 | N3 | 0.0° | 0.0° |
| C6 | N1 | C2 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.0° | 0.0° |
| H2 | C2 | N3 | C4 | 180.0° | 180.0° |
