ADS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | doub | 1.51Å | 0.00Å | |
| P | S2P | sing | 2.11Å | 0.00Å | |
| P | S3P | sing | 2.11Å | 0.00Å | |
| P | O5' | sing | 1.63Å | 29.46Å | |
| S2P | HSP2 | sing | 1.34Å | 0.00Å | |
| S3P | HSP3 | sing | 1.34Å | 0.00Å | |
| O5' | C5' | sing | 1.42Å | 1.41Å | |
| C5' | C4' | sing | 1.52Å | 1.47Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.40Å | |
| C4' | C3' | sing | 1.52Å | 1.49Å | |
| C4' | H4' | sing | 1.10Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.41Å | 1.42Å | |
| C3' | C2' | sing | 1.52Å | 1.48Å | |
| C3' | H3' | sing | 1.10Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 32.96Å | |
| C2' | C1' | sing | 1.53Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.00Å | |
| C1' | N9 | sing | 1.46Å | 1.45Å | |
| C1' | H1' | sing | 1.10Å | 1.10Å | |
| N9 | C8 | sing | 1.37Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.32Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.37Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| C6 | N6 | sing | 1.41Å | 1.32Å | |
| C6 | N1 | doub | 1.35Å | 1.33Å | Aromatic |
| N6 | HN61 | sing | 1.00Å | 1.00Å | |
| N6 | HN62 | sing | 1.00Å | 1.00Å | |
| N1 | C2 | sing | 1.36Å | 1.32Å | Aromatic |
| C2 | N3 | doub | 1.35Å | 1.31Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | sing | 1.34Å | 1.34Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | S2P | 90.0° | 108.8° |
| O1P | P | S3P | 90.0° | 108.6° |
| O1P | P | O5' | 90.0° | 110.2° |
| S2P | P | S3P | 90.0° | 109.8° |
| S2P | P | O5' | 90.0° | 109.9° |
| P | S2P | HSP2 | 90.0° | 98.0° |
| S3P | P | O5' | 90.0° | 109.6° |
| P | S3P | HSP3 | 90.0° | 97.9° |
| P | O5' | C5' | 160.7° | 120.2° |
| O5' | C5' | C4' | 102.6° | 108.7° |
| O5' | C5' | H5'1 | 111.9° | 109.2° |
| O5' | C5' | H5'2 | 113.3° | 109.2° |
| C4' | C5' | H5'1 | 111.9° | 110.1° |
| C4' | C5' | H5'2 | 113.3° | 110.1° |
| C5' | C4' | O4' | 112.2° | 109.8° |
| C5' | C4' | C3' | 114.5° | 113.5° |
| C5' | C4' | H4' | 104.4° | 108.7° |
| H5'1 | C5' | H5'2 | 104.3° | 109.6° |
| O4' | C4' | C3' | 111.1° | 105.2° |
| O4' | C4' | H4' | 108.3° | 108.3° |
| C4' | O4' | C1' | 105.6° | 108.3° |
| C3' | C4' | H4' | 105.7° | 111.2° |
| C4' | C3' | O3' | 102.4° | 112.1° |
| C4' | C3' | C2' | 101.2° | 102.3° |
| C4' | C3' | H3' | 118.0° | 110.2° |
| O4' | C1' | C2' | 108.8° | 107.6° |
| O4' | C1' | N9 | 112.3° | 109.4° |
| O4' | C1' | H1' | 108.2° | 108.3° |
| O3' | C3' | C2' | 107.3° | 113.5° |
| O3' | C3' | H3' | 112.8° | 109.0° |
| C3' | O3' | HO3' | 109.5° | 106.3° |
| C2' | C3' | H3' | 113.8° | 109.6° |
| C3' | C2' | O2' | 12.7° | 111.2° |
| C3' | C2' | C1' | 102.4° | 102.8° |
| C3' | C2' | H2' | 145.8° | 112.6° |
| O2' | C2' | C1' | 89.7° | 109.2° |
| O2' | C2' | H2' | 158.5° | 106.9° |
| C2' | O2' | HO2' | 90.0° | 107.3° |
| C1' | C2' | H2' | 111.8° | 114.1° |
| C2' | C1' | N9 | 110.0° | 113.6° |
| C2' | C1' | H1' | 110.5° | 112.6° |
| N9 | C1' | H1' | 107.0° | 105.2° |
| C1' | N9 | C8 | 130.8° | 126.1° |
| C1' | N9 | C4 | 124.6° | 126.9° |
| C8 | N9 | C4 | 104.2° | 106.9° |
| N9 | C8 | N7 | 116.7° | 112.2° |
| N9 | C8 | H8 | 121.6° | 122.2° |
| N9 | C4 | C5 | 106.8° | 105.2° |
| N9 | C4 | N3 | 126.9° | 127.5° |
| N7 | C8 | H8 | 121.7° | 125.6° |
| C8 | N7 | C5 | 101.4° | 104.8° |
| N7 | C5 | C6 | 132.8° | 132.4° |
| N7 | C5 | C4 | 110.8° | 110.8° |
| C6 | C5 | C4 | 116.5° | 116.8° |
| C5 | C6 | N6 | 122.0° | 120.7° |
| C5 | C6 | N1 | 117.4° | 119.1° |
| C5 | C4 | N3 | 126.3° | 127.3° |
| N6 | C6 | N1 | 120.5° | 120.2° |
| C6 | N6 | HN61 | 109.5° | 119.5° |
| C6 | N6 | HN62 | 109.5° | 119.4° |
| C6 | N1 | C2 | 119.6° | 117.5° |
| HN61 | N6 | HN62 | 109.4° | 120.8° |
| N1 | C2 | N3 | 128.4° | 128.9° |
| N1 | C2 | H2 | 115.8° | 115.5° |
| N3 | C2 | H2 | 115.8° | 115.6° |
| C2 | N3 | C4 | 111.7° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | S2P | S3P | 90.0° | 118.7° |
| O1P | P | S2P | O5' | 90.0° | 120.7° |
| O1P | P | S3P | O5' | 90.0° | 120.4° |
| O1P | P | S2P | HSP2 | 90.0° | 61.3° |
| O1P | P | S3P | HSP3 | 90.0° | 60.8° |
| O1P | P | O5' | C5' | 90.0° | 180.0° |
| S2P | P | S3P | O5' | 90.0° | 120.8° |
| S2P | P | S3P | HSP3 | 90.0° | 179.6° |
| S2P | P | O5' | C5' | 90.0° | 60.2° |
| S3P | P | S2P | HSP2 | 90.0° | 179.9° |
| S3P | P | O5' | C5' | 90.0° | 60.5° |
| O5' | P | S2P | HSP2 | 90.0° | 59.4° |
| O5' | P | S3P | HSP3 | 90.0° | 59.6° |
| P | O5' | C5' | C4' | 71.6° | 150.0° |
| P | O5' | C5' | H5'1 | 48.4° | 29.9° |
| P | O5' | C5' | H5'2 | 165.9° | 89.9° |
| O5' | C5' | C4' | H5'1 | 120.0° | 119.6° |
| O5' | C5' | C4' | H5'2 | 122.5° | 119.5° |
| O5' | C5' | H5'1 | H5'2 | 122.8° | 119.5° |
| O5' | C5' | C4' | O4' | 142.3° | 62.1° |
| O5' | C5' | C4' | C3' | 89.8° | 179.5° |
| O5' | C5' | C4' | H4' | 25.3° | 56.2° |
| C4' | C5' | H5'1 | H5'2 | 122.8° | 121.2° |
| C5' | C4' | O4' | C3' | 129.6° | 122.4° |
| C5' | C4' | O4' | H4' | 114.7° | 118.5° |
| C5' | C4' | C3' | H4' | 114.3° | 122.9° |
| C5' | C4' | O4' | C1' | 116.7° | 148.9° |
| C5' | C4' | C3' | O3' | 150.0° | 81.0° |
| C5' | C4' | C3' | C2' | 99.3° | 157.1° |
| C5' | C4' | C3' | H3' | 25.5° | 40.6° |
| H5'1 | C5' | C4' | O4' | 22.3° | 57.4° |
| H5'1 | C5' | C4' | C3' | 150.2° | 60.0° |
| H5'1 | C5' | C4' | H4' | 94.7° | 175.7° |
| H5'2 | C5' | C4' | O4' | 95.2° | 178.3° |
| H5'2 | C5' | C4' | C3' | 32.7° | 61.0° |
| H5'2 | C5' | C4' | H4' | 147.8° | 63.4° |
| O4' | C4' | C3' | H4' | 117.2° | 117.1° |
| O4' | C4' | C3' | O3' | 81.6° | 159.0° |
| O4' | C4' | C3' | C2' | 29.1° | 37.1° |
| O4' | C4' | C3' | H3' | 153.9° | 79.4° |
| C4' | O4' | C1' | C2' | 8.7° | 5.1° |
| C4' | O4' | C1' | N9 | 130.7° | 129.0° |
| C4' | O4' | C1' | H1' | 111.4° | 116.8° |
| C3' | C4' | O4' | C1' | 13.0° | 26.5° |
| C4' | C3' | O3' | C2' | 106.0° | 115.3° |
| C4' | C3' | O3' | H3' | 127.8° | 122.3° |
| C4' | C3' | C2' | H3' | 127.6° | 117.0° |
| C4' | C3' | O3' | HO3' | 62.3° | 136.4° |
| C4' | C3' | C2' | O2' | 34.7° | 84.0° |
| C4' | C3' | C2' | C1' | 31.5° | 32.8° |
| C4' | C3' | C2' | H2' | 147.9° | 156.0° |
| H4' | C4' | O4' | C1' | 128.6° | 92.6° |
| H4' | C4' | C3' | O3' | 35.6° | 41.9° |
| H4' | C4' | C3' | C2' | 146.3° | 80.0° |
| H4' | C4' | C3' | H3' | 88.8° | 163.5° |
| O4' | C1' | C2' | C3' | 26.3° | 18.0° |
| O4' | C1' | C2' | O2' | 27.0° | 100.1° |
| O4' | C1' | C2' | N9 | 123.4° | 121.3° |
| O4' | C1' | C2' | H1' | 118.7° | 119.3° |
| O4' | C1' | C2' | H2' | 153.3° | 140.3° |
| O4' | C1' | N9 | H1' | 118.6° | 116.1° |
| O4' | C1' | N9 | C8 | 82.2° | 33.8° |
| O4' | C1' | N9 | C4 | 106.6° | 146.1° |
| O3' | C3' | C2' | H3' | 125.5° | 122.1° |
| O3' | C3' | C2' | O2' | 72.2° | 36.9° |
| O3' | C3' | C2' | C1' | 75.4° | 153.7° |
| O3' | C3' | C2' | H2' | 105.2° | 83.1° |
| C2' | C3' | O3' | HO3' | 43.7° | 21.1° |
| C3' | C2' | O2' | C1' | 176.9° | 112.8° |
| C3' | C2' | O2' | H2' | 4.0° | 123.3° |
| C3' | C2' | C1' | H2' | 179.6° | 122.3° |
| C3' | C2' | O2' | HO2' | 90.0° | 78.0° |
| C3' | C2' | C1' | N9 | 149.8° | 103.3° |
| C3' | C2' | C1' | H1' | 92.4° | 137.3° |
| H3' | C3' | O3' | HO3' | 169.8° | 101.3° |
| H3' | C3' | C2' | O2' | 162.3° | 159.0° |
| H3' | C3' | C2' | C1' | 159.1° | 84.2° |
| H3' | C3' | C2' | H2' | 20.3° | 39.0° |
| O2' | C2' | C1' | H2' | 179.6° | 119.6° |
| O2' | C2' | C1' | N9 | 150.5° | 138.6° |
| O2' | C2' | C1' | H1' | 91.6° | 19.2° |
| C1' | C2' | O2' | HO2' | 90.0° | 34.8° |
| C2' | C1' | N9 | H1' | 120.1° | 123.6° |
| C2' | C1' | N9 | C8 | 39.2° | 86.4° |
| C2' | C1' | N9 | C4 | 132.0° | 93.7° |
| H2' | C2' | O2' | HO2' | 90.0° | 158.7° |
| H2' | C2' | C1' | N9 | 29.9° | 19.0° |
| H2' | C2' | C1' | H1' | 88.0° | 100.4° |
| C1' | N9 | C8 | C4 | 172.5° | 179.9° |
| C1' | N9 | C8 | N7 | 171.7° | 180.0° |
| C1' | N9 | C8 | H8 | 8.3° | 0.1° |
| C1' | N9 | C4 | C5 | 172.8° | 180.0° |
| C1' | N9 | C4 | N3 | 5.3° | 0.1° |
| H1' | C1' | N9 | C8 | 159.2° | 150.0° |
| H1' | C1' | N9 | C4 | 12.0° | 29.9° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.9° | 0.0° |
| C8 | N9 | C4 | C5 | 0.3° | 0.0° |
| C8 | N9 | C4 | N3 | 178.4° | 180.0° |
| C4 | N9 | C8 | N7 | 0.8° | 0.0° |
| C4 | N9 | C8 | H8 | 179.2° | 180.0° |
| N9 | C4 | C5 | N7 | 0.2° | 0.0° |
| N9 | C4 | C5 | C6 | 179.5° | 180.0° |
| N9 | C4 | C5 | N3 | 178.1° | 179.9° |
| N9 | C4 | N3 | C2 | 178.9° | 179.9° |
| C8 | N7 | C5 | C6 | 179.8° | 180.0° |
| C8 | N7 | C5 | C4 | 0.6° | 0.0° |
| H8 | C8 | N7 | C5 | 179.1° | 180.0° |
| N7 | C5 | C6 | C4 | 179.2° | 180.0° |
| N7 | C5 | C6 | N6 | 0.2° | 0.0° |
| N7 | C5 | C6 | N1 | 177.6° | 180.0° |
| N7 | C5 | C4 | N3 | 177.9° | 180.0° |
| C5 | C6 | N6 | N1 | 177.7° | 180.0° |
| C5 | C6 | N6 | HN61 | 15.0° | 45.0° |
| C5 | C6 | N6 | HN62 | 135.0° | 128.8° |
| C5 | C6 | N1 | C2 | 1.6° | 0.0° |
| C6 | C5 | C4 | N3 | 1.5° | 0.1° |
| C4 | C5 | C6 | N6 | 179.3° | 180.0° |
| C4 | C5 | C6 | N1 | 1.5° | 0.0° |
| C5 | C4 | N3 | C2 | 1.2° | 0.0° |
| C6 | N6 | HN61 | HN62 | 120.0° | 173.7° |
| N6 | C6 | N1 | C2 | 179.4° | 180.0° |
| N1 | C6 | N6 | HN61 | 162.7° | 135.0° |
| N1 | C6 | N6 | HN62 | 42.7° | 51.2° |
| C6 | N1 | C2 | N3 | 1.6° | 0.1° |
| C6 | N1 | C2 | H2 | 178.4° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 1.3° | 0.1° |
| H2 | C2 | N3 | C4 | 178.7° | 179.9° |
