HPR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.39Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.34Å | Aromatic |
| C4 | N9 | sing | 1.39Å | 1.36Å | |
| C5 | C6 | doub | 1.39Å | 1.43Å | Aromatic |
| C5 | N7 | sing | 1.41Å | 1.36Å | |
| C6 | O6 | sing | 1.36Å | 1.47Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| N7 | C8 | sing | 1.48Å | 1.34Å | |
| N7 | HN7 | sing | 1.01Å | 1.02Å | |
| C8 | N9 | sing | 1.48Å | 1.35Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| N9 | C1' | sing | 1.47Å | 1.45Å | |
| C1' | C2' | sing | 1.54Å | 1.58Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.55Å | 1.64Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | O4' | sing | 1.44Å | 1.37Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| C5' | O5' | sing | 1.43Å | 1.45Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 121.3° | 120.9° |
| N1 | C2 | N3 | 121.6° | 122.1° |
| N1 | C2 | H2 | 119.5° | 118.9° |
| N1 | C6 | C5 | 116.3° | 118.9° |
| N1 | C6 | O6 | 105.9° | 120.6° |
| N3 | C2 | H2 | 118.8° | 119.0° |
| C2 | N3 | C4 | 120.4° | 120.8° |
| N3 | C4 | C5 | 121.0° | 118.8° |
| N3 | C4 | N9 | 130.8° | 131.8° |
| C5 | C4 | N9 | 108.2° | 109.4° |
| C4 | C5 | C6 | 119.4° | 118.5° |
| C4 | C5 | N7 | 107.9° | 109.2° |
| C4 | N9 | C8 | 107.7° | 105.6° |
| C4 | N9 | C1' | 125.7° | 106.7° |
| C6 | C5 | N7 | 132.8° | 132.3° |
| C5 | C6 | O6 | 109.8° | 120.5° |
| C5 | N7 | C8 | 107.7° | 105.0° |
| C5 | N7 | HN7 | 112.9° | 106.7° |
| C6 | O6 | HO6 | 105.9° | 106.8° |
| C8 | N7 | HN7 | 112.9° | 106.7° |
| N7 | C8 | N9 | 108.5° | 103.1° |
| N7 | C8 | H81 | 112.6° | 110.7° |
| N7 | C8 | H82 | 112.6° | 110.7° |
| N9 | C8 | H81 | 112.6° | 110.7° |
| N9 | C8 | H82 | 112.6° | 110.7° |
| C8 | N9 | C1' | 126.2° | 106.7° |
| H81 | C8 | H82 | 97.8° | 110.7° |
| N9 | C1' | C2' | 109.3° | 110.0° |
| N9 | C1' | O4' | 111.3° | 109.9° |
| N9 | C1' | H1' | 107.1° | 109.9° |
| C2' | C1' | O4' | 105.2° | 107.2° |
| C2' | C1' | H1' | 112.9° | 109.8° |
| C1' | C2' | O2' | 111.1° | 110.5° |
| C1' | C2' | C3' | 108.7° | 104.3° |
| C1' | C2' | H2' | 109.2° | 110.5° |
| O4' | C1' | H1' | 111.1° | 109.9° |
| C1' | O4' | C4' | 107.2° | 107.0° |
| O2' | C2' | C3' | 110.4° | 110.5° |
| O2' | C2' | H2' | 107.5° | 110.4° |
| C2' | O2' | HO2' | 111.1° | 106.8° |
| C3' | C2' | H2' | 109.9° | 110.5° |
| C2' | C3' | O3' | 111.1° | 110.9° |
| C2' | C3' | C4' | 91.0° | 102.0° |
| C2' | C3' | H3' | 120.9° | 110.9° |
| O3' | C3' | C4' | 112.9° | 111.1° |
| O3' | C3' | H3' | 102.0° | 110.8° |
| C3' | O3' | HO3' | 111.1° | 106.8° |
| C4' | C3' | H3' | 119.4° | 110.8° |
| C3' | C4' | O4' | 110.9° | 103.6° |
| C3' | C4' | C5' | 112.7° | 110.7° |
| C3' | C4' | H4' | 106.0° | 110.7° |
| O4' | C4' | C5' | 108.9° | 110.6° |
| O4' | C4' | H4' | 110.1° | 110.5° |
| C5' | C4' | H4' | 108.2° | 110.5° |
| C4' | C5' | O5' | 110.1° | 109.5° |
| C4' | C5' | H5'1 | 112.0° | 109.4° |
| C4' | C5' | H5'2 | 112.0° | 109.5° |
| O5' | C5' | H5'1 | 112.0° | 109.5° |
| O5' | C5' | H5'2 | 111.9° | 109.5° |
| C5' | O5' | HO5' | 110.2° | 106.8° |
| H5'1 | C5' | H5'2 | 98.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.3° | 0.1° |
| C2 | N1 | C6 | C5 | 1.1° | 0.0° |
| C2 | N1 | C6 | O6 | 121.2° | 180.0° |
| C6 | N1 | C2 | N3 | 0.5° | 0.1° |
| C6 | N1 | C2 | H2 | 179.5° | 180.0° |
| N1 | C6 | C5 | C4 | 1.0° | 0.1° |
| N1 | C6 | C5 | O6 | 120.2° | 180.0° |
| N1 | C6 | C5 | N7 | 178.8° | 180.0° |
| N1 | C6 | O6 | HO6 | 180.0° | 89.9° |
| C2 | N3 | C4 | C5 | 0.5° | 0.0° |
| C2 | N3 | C4 | N9 | 178.3° | 180.0° |
| H2 | C2 | N3 | C4 | 179.6° | 180.0° |
| N3 | C4 | C5 | N9 | 179.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.2° | 0.1° |
| N3 | C4 | C5 | N7 | 179.6° | 180.0° |
| N3 | C4 | N9 | C8 | 179.6° | 163.0° |
| N3 | C4 | N9 | C1' | 7.2° | 49.7° |
| C4 | C5 | C6 | N7 | 179.8° | 179.9° |
| C4 | C5 | C6 | O6 | 119.2° | 179.9° |
| C4 | C5 | N7 | C8 | 0.6° | 17.0° |
| C4 | C5 | N7 | HN7 | 125.9° | 130.0° |
| C5 | C4 | N9 | C8 | 1.6° | 17.1° |
| C5 | C4 | N9 | C1' | 171.6° | 130.4° |
| N9 | C4 | C5 | C6 | 179.2° | 179.9° |
| N9 | C4 | C5 | N7 | 0.6° | 0.0° |
| C4 | N9 | C8 | N7 | 2.0° | 26.5° |
| C4 | N9 | C8 | C1' | 173.2° | 113.3° |
| C4 | N9 | C8 | H81 | 127.2° | 92.0° |
| C4 | N9 | C8 | H82 | 123.3° | 144.9° |
| C4 | N9 | C1' | C2' | 135.0° | 68.2° |
| C4 | N9 | C1' | O4' | 109.2° | 174.0° |
| C4 | N9 | C1' | H1' | 12.4° | 52.9° |
| C5 | C6 | O6 | HO6 | 53.7° | 90.1° |
| C6 | C5 | N7 | C8 | 179.6° | 163.1° |
| C6 | C5 | N7 | HN7 | 54.3° | 50.1° |
| N7 | C5 | C6 | O6 | 61.0° | 0.0° |
| C5 | N7 | C8 | HN7 | 125.3° | 113.0° |
| C5 | N7 | C8 | N9 | 1.6° | 26.3° |
| C5 | N7 | C8 | H81 | 126.9° | 92.1° |
| C5 | N7 | C8 | H82 | 123.7° | 144.7° |
| N7 | C8 | N9 | H81 | 125.3° | 118.5° |
| N7 | C8 | N9 | H82 | 125.3° | 118.4° |
| N7 | C8 | H81 | H82 | 118.5° | 123.1° |
| N7 | C8 | N9 | C1' | 171.2° | 139.8° |
| HN7 | N7 | C8 | N9 | 126.9° | 139.3° |
| HN7 | N7 | C8 | H81 | 107.9° | 20.8° |
| HN7 | N7 | C8 | H82 | 1.6° | 102.3° |
| N9 | C8 | H81 | H82 | 118.5° | 123.1° |
| C8 | N9 | C1' | C2' | 37.0° | 179.3° |
| C8 | N9 | C1' | O4' | 78.8° | 61.5° |
| C8 | N9 | C1' | H1' | 159.6° | 59.6° |
| H81 | C8 | N9 | C1' | 46.0° | 21.3° |
| H82 | C8 | N9 | C1' | 63.5° | 101.8° |
| N9 | C1' | C2' | O4' | 119.6° | 119.5° |
| N9 | C1' | C2' | H1' | 119.1° | 121.1° |
| N9 | C1' | O4' | H1' | 119.2° | 121.1° |
| N9 | C1' | C2' | O2' | 135.9° | 119.6° |
| N9 | C1' | C2' | C3' | 102.4° | 121.6° |
| N9 | C1' | C2' | H2' | 17.5° | 2.9° |
| N9 | C1' | O4' | C4' | 129.3° | 146.1° |
| C2' | C1' | O4' | H1' | 122.5° | 119.4° |
| C1' | C2' | O2' | C3' | 120.7° | 114.9° |
| C1' | C2' | O2' | H2' | 119.4° | 122.5° |
| C1' | C2' | C3' | H2' | 119.5° | 118.7° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | O3' | 146.8° | 139.1° |
| C1' | C2' | C3' | C4' | 31.7° | 20.7° |
| C1' | C2' | C3' | H3' | 93.8° | 97.3° |
| C2' | C1' | O4' | C4' | 11.0° | 26.5° |
| O4' | C1' | C2' | O2' | 104.5° | 120.9° |
| O4' | C1' | C2' | C3' | 17.3° | 2.1° |
| O4' | C1' | C2' | H2' | 137.2° | 116.6° |
| C1' | O4' | C4' | C3' | 34.9° | 40.0° |
| C1' | O4' | C4' | C5' | 159.4° | 158.6° |
| C1' | O4' | C4' | H4' | 82.1° | 78.6° |
| H1' | C1' | C2' | O2' | 16.8° | 1.5° |
| H1' | C1' | C2' | C3' | 138.6° | 117.3° |
| H1' | C1' | C2' | H2' | 101.5° | 124.0° |
| H1' | C1' | O4' | C4' | 111.5° | 92.9° |
| O2' | C2' | C3' | H2' | 118.4° | 122.5° |
| O2' | C2' | C3' | O3' | 24.7° | 20.3° |
| O2' | C2' | C3' | C4' | 90.4° | 98.1° |
| O2' | C2' | C3' | H3' | 144.0° | 143.9° |
| C3' | C2' | O2' | HO2' | 59.3° | 65.1° |
| C2' | C3' | O3' | C4' | 100.5° | 112.7° |
| C2' | C3' | O3' | H3' | 130.2° | 123.7° |
| C2' | C3' | C4' | H3' | 126.8° | 118.1° |
| C2' | C3' | O3' | HO3' | 179.9° | 180.0° |
| C2' | C3' | C4' | O4' | 41.4° | 36.8° |
| C2' | C3' | C4' | C5' | 163.8° | 155.5° |
| C2' | C3' | C4' | H4' | 78.1° | 81.7° |
| H2' | C2' | O2' | HO2' | 60.6° | 57.5° |
| H2' | C2' | C3' | O3' | 93.7° | 102.2° |
| H2' | C2' | C3' | C4' | 151.2° | 139.4° |
| H2' | C2' | C3' | H3' | 25.6° | 21.4° |
| O3' | C3' | C4' | H3' | 119.7° | 123.6° |
| O3' | C3' | C4' | O4' | 154.9° | 155.1° |
| O3' | C3' | C4' | C5' | 82.8° | 86.3° |
| O3' | C3' | C4' | H4' | 35.4° | 36.5° |
| C4' | C3' | O3' | HO3' | 79.6° | 67.3° |
| C3' | C4' | O4' | C5' | 124.5° | 118.6° |
| C3' | C4' | O4' | H4' | 117.0° | 118.6° |
| C3' | C4' | C5' | H4' | 116.9° | 123.0° |
| C3' | C4' | C5' | O5' | 39.3° | 177.8° |
| C3' | C4' | C5' | H5'1 | 164.6° | 57.8° |
| C3' | C4' | C5' | H5'2 | 85.9° | 62.2° |
| H3' | C3' | O3' | HO3' | 49.8° | 56.4° |
| H3' | C3' | C4' | O4' | 85.4° | 81.3° |
| H3' | C3' | C4' | C5' | 36.9° | 37.3° |
| H3' | C3' | C4' | H4' | 155.1° | 160.2° |
| O4' | C4' | C5' | H4' | 119.6° | 122.8° |
| O4' | C4' | C5' | O5' | 84.1° | 63.5° |
| O4' | C4' | C5' | H5'1 | 41.1° | 56.5° |
| O4' | C4' | C5' | H5'2 | 150.7° | 176.4° |
| C4' | C5' | O5' | H5'1 | 125.3° | 119.9° |
| C4' | C5' | O5' | H5'2 | 125.2° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 117.9° | 119.9° |
| C4' | C5' | O5' | HO5' | 180.0° | 180.0° |
| H4' | C4' | C5' | O5' | 156.2° | 59.3° |
| H4' | C4' | C5' | H5'1 | 78.5° | 179.2° |
| H4' | C4' | C5' | H5'2 | 31.0° | 60.8° |
| O5' | C5' | H5'1 | H5'2 | 117.9° | 120.1° |
| H5'1 | C5' | O5' | HO5' | 54.8° | 60.0° |
| H5'2 | C5' | O5' | HO5' | 54.7° | 60.0° |
