AD3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.54Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.55Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | C1' | sing | 1.54Å | 1.55Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.51Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.36Å | 1.41Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.42Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.48Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | N6 | sing | 1.39Å | 1.33Å | |
| C6 | N1 | doub | 1.32Å | 1.39Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | C3 | doub | 1.37Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.39Å | 1.43Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5' | O5' | HO5' | 116.1° | 106.8° |
| O5' | C5' | C4' | 116.1° | 109.5° |
| O5' | C5' | H5'1 | 109.8° | 109.4° |
| O5' | C5' | H5'2 | 109.8° | 109.4° |
| C4' | C5' | H5'1 | 109.8° | 109.5° |
| C4' | C5' | H5'2 | 109.8° | 109.5° |
| C5' | C4' | O4' | 91.7° | 110.4° |
| C5' | C4' | C3' | 102.2° | 110.5° |
| C5' | C4' | H4' | 121.9° | 110.3° |
| H5'1 | C5' | H5'2 | 100.4° | 109.5° |
| O4' | C4' | C3' | 103.2° | 104.8° |
| O4' | C4' | H4' | 121.1° | 110.3° |
| C4' | O4' | C1' | 116.1° | 105.3° |
| C3' | C4' | H4' | 113.0° | 110.4° |
| C4' | C3' | O3' | 110.8° | 110.5° |
| C4' | C3' | C2' | 107.6° | 104.1° |
| C4' | C3' | H3' | 110.7° | 110.5° |
| O4' | C1' | C2' | 104.2° | 104.9° |
| O4' | C1' | N9 | 109.4° | 110.4° |
| O4' | C1' | H1' | 118.3° | 110.3° |
| O3' | C3' | C2' | 111.8° | 110.6° |
| O3' | C3' | H3' | 106.4° | 110.5° |
| C3' | O3' | HO3' | 110.7° | 106.8° |
| C2' | C3' | H3' | 109.6° | 110.6° |
| C3' | C2' | O2' | 118.3° | 110.5° |
| C3' | C2' | C1' | 105.3° | 104.0° |
| C3' | C2' | H2' | 107.6° | 110.5° |
| O2' | C2' | C1' | 112.6° | 110.8° |
| O2' | C2' | H2' | 99.3° | 110.5° |
| C2' | O2' | HO2' | 118.3° | 106.8° |
| C1' | C2' | H2' | 113.8° | 110.4° |
| C2' | C1' | N9 | 121.6° | 110.4° |
| C2' | C1' | H1' | 105.0° | 110.3° |
| N9 | C1' | H1' | 99.3° | 110.4° |
| C1' | N9 | C8 | 125.8° | 126.4° |
| C1' | N9 | C4 | 129.9° | 126.3° |
| C8 | N9 | C4 | 104.4° | 107.3° |
| N9 | C8 | N7 | 115.0° | 110.0° |
| N9 | C8 | H8 | 125.4° | 125.0° |
| N9 | C4 | C5 | 105.9° | 106.2° |
| N9 | C4 | C3 | 128.0° | 135.2° |
| N7 | C8 | H8 | 119.6° | 125.0° |
| C8 | N7 | C5 | 103.9° | 109.6° |
| N7 | C5 | C6 | 133.5° | 134.5° |
| N7 | C5 | C4 | 110.8° | 106.9° |
| C6 | C5 | C4 | 115.7° | 118.5° |
| C5 | C6 | N6 | 123.2° | 120.0° |
| C5 | C6 | N1 | 118.0° | 120.0° |
| C5 | C4 | C3 | 126.1° | 118.6° |
| N6 | C6 | N1 | 118.8° | 120.0° |
| C6 | N6 | HN61 | 123.2° | 120.0° |
| C6 | N6 | HN62 | 107.4° | 120.0° |
| C6 | N1 | C2 | 120.4° | 122.2° |
| HN61 | N6 | HN62 | 107.3° | 120.0° |
| N1 | C2 | C3 | 127.6° | 121.5° |
| N1 | C2 | H2 | 115.7° | 119.3° |
| C3 | C2 | H2 | 116.7° | 119.2° |
| C2 | C3 | C4 | 112.1° | 119.0° |
| C2 | C3 | H3 | 122.2° | 120.5° |
| C4 | C3 | H3 | 125.7° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5' | C5' | C4' | H5'1 | 125.2° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 119.9° |
| O5' | C5' | H5'1 | H5'2 | 115.6° | 119.9° |
| O5' | C5' | C4' | O4' | 69.0° | 61.4° |
| O5' | C5' | C4' | C3' | 172.8° | 176.9° |
| O5' | C5' | C4' | H4' | 59.9° | 60.8° |
| HO5' | O5' | C5' | C4' | 179.9° | 180.0° |
| HO5' | O5' | C5' | H5'1 | 54.7° | 60.0° |
| HO5' | O5' | C5' | H5'2 | 54.8° | 60.0° |
| C4' | C5' | H5'1 | H5'2 | 115.6° | 120.1° |
| C5' | C4' | O4' | C3' | 102.9° | 119.0° |
| C5' | C4' | O4' | H4' | 129.5° | 122.2° |
| C5' | C4' | C3' | H4' | 132.8° | 122.3° |
| C5' | C4' | O4' | C1' | 121.1° | 159.5° |
| C5' | C4' | C3' | O3' | 135.4° | 98.3° |
| C5' | C4' | C3' | C2' | 102.1° | 143.0° |
| C5' | C4' | C3' | H3' | 17.6° | 24.2° |
| H5'1 | C5' | C4' | O4' | 56.2° | 178.6° |
| H5'1 | C5' | C4' | C3' | 47.6° | 63.2° |
| H5'1 | C5' | C4' | H4' | 174.9° | 59.2° |
| H5'2 | C5' | C4' | O4' | 165.7° | 58.5° |
| H5'2 | C5' | C4' | C3' | 61.9° | 56.9° |
| H5'2 | C5' | C4' | H4' | 65.4° | 179.3° |
| O4' | C4' | C3' | H4' | 132.5° | 118.8° |
| O4' | C4' | C3' | O3' | 129.9° | 142.7° |
| O4' | C4' | C3' | C2' | 7.5° | 24.0° |
| O4' | C4' | C3' | H3' | 112.3° | 94.7° |
| C4' | O4' | C1' | C2' | 20.5° | 40.4° |
| C4' | O4' | C1' | N9 | 152.0° | 159.3° |
| C4' | O4' | C1' | H1' | 95.5° | 78.4° |
| C3' | C4' | O4' | C1' | 18.2° | 40.5° |
| C4' | C3' | O3' | C2' | 120.0° | 114.7° |
| C4' | C3' | O3' | H3' | 120.4° | 122.6° |
| C4' | C3' | C2' | H3' | 120.4° | 118.7° |
| C4' | C3' | O3' | HO3' | 179.9° | 61.4° |
| C4' | C3' | C2' | O2' | 130.5° | 118.8° |
| C4' | C3' | C2' | C1' | 3.5° | 0.1° |
| C4' | C3' | C2' | H2' | 118.2° | 118.6° |
| H4' | C4' | O4' | C1' | 109.5° | 78.3° |
| H4' | C4' | C3' | O3' | 2.6° | 24.0° |
| H4' | C4' | C3' | C2' | 125.0° | 94.7° |
| H4' | C4' | C3' | H3' | 115.2° | 146.6° |
| O4' | C1' | C2' | C3' | 13.5° | 23.8° |
| O4' | C1' | C2' | O2' | 143.9° | 142.5° |
| O4' | C1' | C2' | N9 | 123.9° | 118.9° |
| O4' | C1' | C2' | H1' | 125.0° | 118.8° |
| O4' | C1' | C2' | H2' | 104.0° | 94.7° |
| O4' | C1' | N9 | H1' | 124.5° | 122.3° |
| O4' | C1' | N9 | C8 | 178.6° | 27.0° |
| O4' | C1' | N9 | C4 | 0.7° | 152.9° |
| O3' | C3' | C2' | H3' | 117.8° | 122.6° |
| O3' | C3' | C2' | O2' | 8.7° | 0.1° |
| O3' | C3' | C2' | C1' | 118.3° | 118.8° |
| O3' | C3' | C2' | H2' | 120.0° | 122.7° |
| C2' | C3' | O3' | HO3' | 59.9° | 176.1° |
| C3' | C2' | O2' | C1' | 123.4° | 114.7° |
| C3' | C2' | O2' | H2' | 115.8° | 122.6° |
| C3' | C2' | C1' | H2' | 117.6° | 118.5° |
| C3' | C2' | O2' | HO2' | 179.9° | 61.5° |
| C3' | C2' | C1' | N9 | 137.4° | 142.7° |
| C3' | C2' | C1' | H1' | 111.4° | 95.0° |
| H3' | C3' | O3' | HO3' | 59.7° | 61.2° |
| H3' | C3' | C2' | O2' | 109.1° | 122.5° |
| H3' | C3' | C2' | C1' | 124.0° | 118.5° |
| H3' | C3' | C2' | H2' | 2.2° | 0.0° |
| O2' | C2' | C1' | H2' | 112.1° | 122.7° |
| O2' | C2' | C1' | N9 | 92.2° | 98.5° |
| O2' | C2' | C1' | H1' | 18.9° | 23.7° |
| C1' | C2' | O2' | HO2' | 56.6° | 176.2° |
| C2' | C1' | N9 | H1' | 114.1° | 122.2° |
| C2' | C1' | N9 | C8 | 57.1° | 88.5° |
| C2' | C1' | N9 | C4 | 122.2° | 91.6° |
| H2' | C2' | O2' | HO2' | 64.2° | 61.1° |
| H2' | C2' | C1' | N9 | 19.9° | 24.2° |
| H2' | C2' | C1' | H1' | 131.0° | 146.4° |
| C1' | N9 | C8 | C4 | 179.4° | 179.9° |
| C1' | N9 | C8 | N7 | 179.5° | 179.9° |
| C1' | N9 | C8 | H8 | 0.5° | 0.0° |
| C1' | N9 | C4 | C5 | 179.4° | 179.8° |
| C1' | N9 | C4 | C3 | 0.3° | 0.1° |
| H1' | C1' | N9 | C8 | 56.9° | 149.3° |
| H1' | C1' | N9 | C4 | 123.8° | 30.7° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.2° | 0.3° |
| C8 | N9 | C4 | C5 | 0.0° | 0.3° |
| C8 | N9 | C4 | C3 | 179.7° | 180.0° |
| C4 | N9 | C8 | N7 | 0.1° | 0.0° |
| C4 | N9 | C8 | H8 | 180.0° | 179.9° |
| N9 | C4 | C5 | N7 | 0.1° | 0.4° |
| N9 | C4 | C5 | C6 | 179.7° | 179.7° |
| N9 | C4 | C5 | C3 | 179.7° | 179.8° |
| N9 | C4 | C3 | C2 | 179.6° | 180.0° |
| N9 | C4 | C3 | H3 | 0.4° | 0.0° |
| C8 | N7 | C5 | C6 | 179.6° | 179.5° |
| C8 | N7 | C5 | C4 | 0.2° | 0.4° |
| H8 | C8 | N7 | C5 | 179.9° | 179.8° |
| N7 | C5 | C6 | C4 | 179.8° | 179.0° |
| N7 | C5 | C6 | N6 | 0.0° | 0.7° |
| N7 | C5 | C6 | N1 | 179.8° | 179.5° |
| N7 | C5 | C4 | C3 | 179.8° | 179.8° |
| C5 | C6 | N6 | N1 | 179.8° | 179.7° |
| C5 | C6 | N6 | HN61 | 180.0° | 179.7° |
| C5 | C6 | N6 | HN62 | 54.8° | 0.6° |
| C5 | C6 | N1 | C2 | 0.0° | 0.3° |
| C6 | C5 | C4 | C3 | 0.0° | 0.5° |
| C4 | C5 | C6 | N6 | 179.8° | 179.7° |
| C4 | C5 | C6 | N1 | 0.0° | 0.5° |
| C5 | C4 | C3 | C2 | 0.0° | 0.3° |
| C5 | C4 | C3 | H3 | 179.9° | 179.8° |
| C6 | N6 | HN61 | HN62 | 125.2° | 179.7° |
| N6 | C6 | N1 | C2 | 179.8° | 180.0° |
| N1 | C6 | N6 | HN61 | 0.3° | 0.0° |
| N1 | C6 | N6 | HN62 | 125.4° | 179.7° |
| C6 | N1 | C2 | C3 | 0.0° | 0.0° |
| C6 | N1 | C2 | H2 | 180.0° | 180.0° |
| N1 | C2 | C3 | H2 | 180.0° | 180.0° |
| N1 | C2 | C3 | C4 | 0.1° | 0.0° |
| N1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| H2 | C2 | C3 | C4 | 180.0° | 180.0° |
| H2 | C2 | C3 | H3 | 0.1° | 0.0° |
