3DA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | doub | 1.50Å | 1.49Å | |
| P | O2P | sing | 1.62Å | 1.48Å | |
| P | O5' | sing | 1.62Å | 1.59Å | |
| P | O3P | sing | 1.62Å | 60.24Å | |
| O2P | HOP2 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.42Å | |
| C5' | C4' | sing | 1.52Å | 1.50Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.52Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| C1' | C2' | sing | 1.52Å | 1.54Å | |
| C1' | H1' | sing | 1.10Å | 1.11Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| N3 | C2 | doub | 1.35Å | 1.33Å | Aromatic |
| C2 | N1 | sing | 1.36Å | 1.34Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N1 | C6 | doub | 1.35Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.41Å | 1.33Å | |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| N6 | HN61 | sing | 1.00Å | 1.02Å | |
| N6 | HN62 | sing | 1.00Å | 1.02Å | |
| C5 | N7 | sing | 1.37Å | 1.39Å | Aromatic |
| N7 | C8 | doub | 1.32Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C2' | O2' | sing | 1.41Å | 1.41Å | |
| C2' | C3' | sing | 1.51Å | 1.52Å | |
| C2' | H2'1 | sing | 1.10Å | 1.11Å | |
| O2' | HO'2 | sing | 0.97Å | 0.95Å | |
| C3' | H3'1 | sing | 1.10Å | 1.12Å | |
| C3' | H3'2 | sing | 1.09Å | 1.11Å | |
| O3P | HOP3 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 119.4° | 115.3° |
| O1P | P | O5' | 107.5° | 115.0° |
| O1P | P | O3P | 110.7° | 115.0° |
| O2P | P | O5' | 107.9° | 103.7° |
| O2P | P | O3P | 54.6° | 103.3° |
| P | O2P | HOP2 | 119.5° | 118.9° |
| O5' | P | O3P | 141.7° | 102.8° |
| P | O5' | C5' | 120.6° | 118.4° |
| P | O3P | HOP3 | 110.7° | 118.9° |
| O5' | C5' | C4' | 109.8° | 108.9° |
| O5' | C5' | H5'1 | 112.1° | 108.9° |
| O5' | C5' | H5'2 | 112.1° | 108.9° |
| C4' | C5' | H5'1 | 112.1° | 110.5° |
| C4' | C5' | H5'2 | 112.1° | 110.4° |
| C5' | C4' | O4' | 108.8° | 108.7° |
| C5' | C4' | C3' | 116.0° | 112.9° |
| C5' | C4' | H4' | 104.3° | 108.9° |
| H5'1 | C5' | H5'2 | 98.3° | 109.3° |
| O4' | C4' | C3' | 105.6° | 106.8° |
| O4' | C4' | H4' | 114.9° | 108.5° |
| C4' | O4' | C1' | 109.5° | 108.6° |
| C3' | C4' | H4' | 107.6° | 110.9° |
| C4' | C3' | C2' | 101.5° | 103.0° |
| C4' | C3' | H3'1 | 115.2° | 110.2° |
| C4' | C3' | H3'2 | 115.3° | 113.8° |
| O4' | C1' | N9 | 107.2° | 109.6° |
| O4' | C1' | C2' | 107.0° | 106.6° |
| O4' | C1' | H1' | 113.8° | 108.8° |
| N9 | C1' | C2' | 113.0° | 114.0° |
| N9 | C1' | H1' | 107.8° | 105.3° |
| C1' | N9 | C4 | 125.8° | 126.9° |
| C1' | N9 | C8 | 128.3° | 126.0° |
| C2' | C1' | H1' | 108.2° | 112.5° |
| C1' | C2' | O2' | 111.5° | 111.3° |
| C1' | C2' | C3' | 101.6° | 101.4° |
| C1' | C2' | H2'1 | 113.8° | 111.9° |
| C4 | N9 | C8 | 105.8° | 107.1° |
| N9 | C4 | N3 | 127.0° | 127.6° |
| N9 | C4 | C5 | 105.9° | 105.2° |
| N9 | C8 | N7 | 113.6° | 112.1° |
| N9 | C8 | H8 | 125.4° | 122.3° |
| N3 | C4 | C5 | 127.1° | 127.2° |
| C4 | N3 | C2 | 110.5° | 110.5° |
| C4 | C5 | C6 | 116.8° | 116.9° |
| C4 | C5 | N7 | 110.8° | 110.8° |
| N3 | C2 | N1 | 129.1° | 128.8° |
| N3 | C2 | H2 | 115.2° | 115.7° |
| N1 | C2 | H2 | 115.7° | 115.5° |
| C2 | N1 | C6 | 118.7° | 117.5° |
| N1 | C6 | N6 | 118.4° | 120.2° |
| N1 | C6 | C5 | 117.9° | 119.0° |
| N6 | C6 | C5 | 123.7° | 120.8° |
| C6 | N6 | HN61 | 118.4° | 119.4° |
| C6 | N6 | HN62 | 109.0° | 119.4° |
| C6 | C5 | N7 | 132.4° | 132.3° |
| HN61 | N6 | HN62 | 108.9° | 120.8° |
| C5 | N7 | C8 | 103.8° | 104.8° |
| N7 | C8 | H8 | 121.0° | 125.6° |
| O2' | C2' | C3' | 111.0° | 111.9° |
| O2' | C2' | H2'1 | 105.0° | 109.3° |
| C2' | O2' | HO'2 | 111.4° | 106.6° |
| C3' | C2' | H2'1 | 114.2° | 111.0° |
| C2' | C3' | H3'1 | 115.3° | 109.9° |
| C2' | C3' | H3'2 | 115.2° | 113.2° |
| H3'1 | C3' | H3'2 | 95.2° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O5' | 123.0° | 126.7° |
| O1P | P | O2P | O3P | 95.6° | 126.3° |
| O1P | P | O5' | O3P | 174.9° | 125.8° |
| O1P | P | O2P | HOP2 | 180.0° | 48.8° |
| O1P | P | O5' | C5' | 96.1° | 180.0° |
| O1P | P | O3P | HOP3 | 180.0° | 48.0° |
| O2P | P | O5' | O3P | 55.0° | 107.4° |
| O2P | P | O5' | C5' | 33.9° | 53.1° |
| O2P | P | O3P | HOP3 | 67.9° | 78.5° |
| O5' | P | O2P | HOP2 | 57.0° | 175.5° |
| P | O5' | C5' | C4' | 137.8° | 180.0° |
| P | O5' | C5' | H5'1 | 12.5° | 59.5° |
| P | O5' | C5' | H5'2 | 96.9° | 59.5° |
| O5' | P | O3P | HOP3 | 5.2° | 173.8° |
| O3P | P | O2P | HOP2 | 84.4° | 77.5° |
| O3P | P | O5' | C5' | 88.9° | 54.3° |
| O5' | C5' | C4' | H5'1 | 125.2° | 119.5° |
| O5' | C5' | C4' | H5'2 | 125.3° | 119.5° |
| O5' | C5' | H5'1 | H5'2 | 118.0° | 118.8° |
| O5' | C5' | C4' | O4' | 44.8° | 61.2° |
| O5' | C5' | C4' | C3' | 163.6° | 179.6° |
| O5' | C5' | C4' | H4' | 78.3° | 56.8° |
| C4' | C5' | H5'1 | H5'2 | 118.1° | 121.7° |
| C5' | C4' | O4' | C3' | 125.1° | 122.1° |
| C5' | C4' | O4' | H4' | 116.5° | 118.3° |
| C5' | C4' | C3' | H4' | 116.3° | 122.6° |
| C5' | C4' | O4' | C1' | 142.7° | 116.2° |
| C5' | C4' | C3' | C2' | 155.0° | 92.6° |
| C5' | C4' | C3' | H3'1 | 29.7° | 150.2° |
| C5' | C4' | C3' | H3'2 | 79.7° | 30.3° |
| H5'1 | C5' | C4' | O4' | 80.5° | 58.3° |
| H5'1 | C5' | C4' | C3' | 38.3° | 60.0° |
| H5'1 | C5' | C4' | H4' | 156.4° | 176.3° |
| H5'2 | C5' | C4' | O4' | 170.0° | 179.3° |
| H5'2 | C5' | C4' | C3' | 71.2° | 60.9° |
| H5'2 | C5' | C4' | H4' | 47.0° | 62.7° |
| O4' | C4' | C3' | H4' | 123.2° | 118.0° |
| C4' | O4' | C1' | N9 | 114.6° | 141.3° |
| C4' | O4' | C1' | C2' | 6.9° | 17.5° |
| C4' | O4' | C1' | H1' | 126.3° | 104.0° |
| O4' | C4' | C3' | C2' | 34.5° | 26.8° |
| O4' | C4' | C3' | H3'1 | 90.8° | 90.3° |
| O4' | C4' | C3' | H3'2 | 159.7° | 149.7° |
| C3' | C4' | O4' | C1' | 17.6° | 5.9° |
| C4' | C3' | C2' | C1' | 37.1° | 35.8° |
| C4' | C3' | C2' | O2' | 81.5° | 154.5° |
| C4' | C3' | C2' | H3'1 | 125.2° | 117.4° |
| C4' | C3' | C2' | H3'2 | 125.3° | 123.3° |
| C4' | C3' | C2' | H2'1 | 160.1° | 83.2° |
| C4' | C3' | H3'1 | H3'2 | 121.1° | 124.1° |
| H4' | C4' | O4' | C1' | 100.8° | 125.5° |
| H4' | C4' | C3' | C2' | 88.7° | 144.8° |
| H4' | C4' | C3' | H3'1 | 146.0° | 27.7° |
| H4' | C4' | C3' | H3'2 | 36.6° | 92.3° |
| O4' | C1' | N9 | C2' | 117.6° | 119.4° |
| O4' | C1' | N9 | H1' | 122.9° | 116.8° |
| O4' | C1' | C2' | H1' | 123.0° | 119.1° |
| O4' | C1' | N9 | C4 | 176.6° | 146.8° |
| O4' | C1' | N9 | C8 | 5.1° | 33.2° |
| O4' | C1' | C2' | O2' | 90.2° | 152.6° |
| O4' | C1' | C2' | C3' | 28.1° | 33.5° |
| O4' | C1' | C2' | H2'1 | 151.3° | 84.8° |
| N9 | C1' | C2' | H1' | 119.3° | 119.8° |
| C1' | N9 | C4 | C8 | 178.6° | 180.0° |
| C1' | N9 | C4 | N3 | 1.8° | 0.1° |
| C1' | N9 | C4 | C5 | 177.7° | 180.0° |
| C1' | N9 | C8 | N7 | 177.6° | 180.0° |
| C1' | N9 | C8 | H8 | 2.4° | 0.0° |
| N9 | C1' | C2' | O2' | 152.1° | 86.3° |
| N9 | C1' | C2' | C3' | 89.6° | 154.6° |
| N9 | C1' | C2' | H2'1 | 33.6° | 36.2° |
| C2' | C1' | N9 | C4 | 65.9° | 93.9° |
| C2' | C1' | N9 | C8 | 112.5° | 86.2° |
| C1' | C2' | O2' | C3' | 112.5° | 112.6° |
| C1' | C2' | O2' | H2'1 | 123.6° | 124.1° |
| C1' | C2' | C3' | H2'1 | 122.9° | 119.0° |
| C1' | C2' | O2' | HO'2 | 180.0° | 29.1° |
| C1' | C2' | C3' | H3'1 | 88.1° | 81.6° |
| C1' | C2' | C3' | H3'2 | 162.4° | 159.1° |
| H1' | C1' | N9 | C4 | 53.7° | 29.9° |
| H1' | C1' | N9 | C8 | 128.0° | 150.0° |
| H1' | C1' | C2' | O2' | 32.7° | 33.5° |
| H1' | C1' | C2' | C3' | 151.1° | 85.6° |
| H1' | C1' | C2' | H2'1 | 85.7° | 156.1° |
| N9 | C4 | N3 | C5 | 179.3° | 179.9° |
| N9 | C4 | N3 | C2 | 179.4° | 179.9° |
| N9 | C4 | C5 | C6 | 179.1° | 180.0° |
| N9 | C4 | C5 | N7 | 0.7° | 0.0° |
| C4 | N9 | C8 | N7 | 1.0° | 0.0° |
| C4 | N9 | C8 | H8 | 179.0° | 179.9° |
| C8 | N9 | C4 | N3 | 179.6° | 179.9° |
| C8 | N9 | C4 | C5 | 1.0° | 0.0° |
| N9 | C8 | N7 | C5 | 0.5° | 0.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C4 | N3 | C2 | N1 | 0.2° | 0.0° |
| C4 | N3 | C2 | H2 | 179.7° | 179.9° |
| N3 | C4 | C5 | C6 | 0.3° | 0.1° |
| N3 | C4 | C5 | N7 | 179.9° | 179.9° |
| C5 | C4 | N3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C6 | N1 | 0.6° | 0.0° |
| C4 | C5 | C6 | N6 | 179.0° | 179.9° |
| C4 | C5 | C6 | N7 | 179.7° | 180.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.0° |
| N3 | C2 | N1 | H2 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 0.1° | 0.1° |
| C2 | N1 | C6 | N6 | 179.1° | 180.0° |
| C2 | N1 | C6 | C5 | 0.5° | 0.0° |
| H2 | C2 | N1 | C6 | 180.0° | 180.0° |
| N1 | C6 | N6 | C5 | 179.6° | 179.9° |
| N1 | C6 | N6 | HN61 | 180.0° | 127.1° |
| N1 | C6 | N6 | HN62 | 54.7° | 59.2° |
| N1 | C6 | C5 | N7 | 179.6° | 180.0° |
| C6 | N6 | HN61 | HN62 | 125.3° | 173.7° |
| N6 | C6 | C5 | N7 | 0.8° | 0.1° |
| C5 | C6 | N6 | HN61 | 0.4° | 53.0° |
| C5 | C6 | N6 | HN62 | 125.6° | 120.8° |
| C6 | C5 | N7 | C8 | 179.6° | 180.0° |
| C5 | N7 | C8 | H8 | 179.4° | 180.0° |
| O2' | C2' | C3' | H2'1 | 118.4° | 122.3° |
| O2' | C2' | C3' | H3'1 | 153.2° | 37.1° |
| O2' | C2' | C3' | H3'2 | 43.8° | 82.2° |
| C3' | C2' | O2' | HO'2 | 67.5° | 141.7° |
| C2' | C3' | H3'1 | H3'2 | 121.1° | 123.1° |
| H2'1 | C2' | O2' | HO'2 | 56.4° | 95.0° |
| H2'1 | C2' | C3' | H3'1 | 34.8° | 159.4° |
| H2'1 | C2' | C3' | H3'2 | 74.6° | 40.1° |
