RPP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| I | C7 | sing | 2.16Å | 1.97Å | |
| N1 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | N9 | sing | 1.39Å | 1.38Å | |
| C5 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.39Å | |
| C6 | N6 | sing | 1.39Å | 1.33Å | |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| C7 | N8 | sing | 1.48Å | 1.31Å | |
| C7 | H7 | sing | 1.09Å | 1.12Å | |
| N8 | N9 | sing | 1.46Å | 1.36Å | |
| N8 | HN8 | sing | 1.01Å | 1.02Å | |
| N9 | C1' | sing | 1.47Å | 1.46Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.40Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O2' | HO'2 | sing | 0.97Å | 0.95Å | |
| O3' | HO'3 | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| O5' | HO'5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| I | C7 | C5 | 129.1° | 111.0° |
| I | C7 | N8 | 125.4° | 110.7° |
| I | C7 | H7 | 20.8° | 110.6° |
| C2 | N1 | C6 | 118.9° | 120.7° |
| N1 | C2 | N3 | 128.9° | 122.2° |
| N1 | C2 | H2 | 115.8° | 118.9° |
| N1 | C6 | C5 | 117.7° | 118.7° |
| N1 | C6 | N6 | 117.7° | 120.6° |
| N3 | C2 | H2 | 115.4° | 118.8° |
| C2 | N3 | C4 | 111.3° | 120.8° |
| N3 | C4 | C5 | 127.0° | 118.4° |
| N3 | C4 | N9 | 126.5° | 131.8° |
| C5 | C4 | N9 | 106.3° | 109.8° |
| C4 | C5 | C6 | 116.1° | 119.1° |
| C4 | C5 | C7 | 109.2° | 107.5° |
| C4 | N9 | N8 | 106.1° | 108.0° |
| C4 | N9 | C1' | 119.4° | 106.7° |
| C6 | C5 | C7 | 134.6° | 133.4° |
| C5 | C6 | N6 | 124.4° | 120.6° |
| C5 | C7 | N8 | 105.3° | 103.2° |
| C5 | C7 | H7 | 117.8° | 110.5° |
| C6 | N6 | HN61 | 117.7° | 120.0° |
| C6 | N6 | HN62 | 109.2° | 120.0° |
| HN61 | N6 | HN62 | 109.3° | 120.0° |
| N8 | C7 | H7 | 134.0° | 110.6° |
| C7 | N8 | N9 | 112.9° | 103.6° |
| C7 | N8 | HN8 | 111.0° | 106.7° |
| N9 | N8 | HN8 | 110.9° | 106.7° |
| N8 | N9 | C1' | 134.4° | 106.7° |
| N9 | C1' | C2' | 113.8° | 110.4° |
| N9 | C1' | O4' | 108.0° | 110.4° |
| N9 | C1' | H1' | 106.2° | 110.3° |
| C2' | C1' | O4' | 104.9° | 104.9° |
| C2' | C1' | H1' | 109.2° | 110.3° |
| C1' | C2' | C3' | 103.2° | 104.0° |
| C1' | C2' | O2' | 110.3° | 110.8° |
| C1' | C2' | H2' | 114.0° | 110.4° |
| O4' | C1' | H1' | 114.9° | 110.4° |
| C1' | O4' | C4' | 107.9° | 105.3° |
| C3' | C2' | O2' | 112.2° | 110.5° |
| C3' | C2' | H2' | 112.1° | 110.6° |
| C2' | C3' | C4' | 105.2° | 104.1° |
| C2' | C3' | O3' | 111.5° | 110.6° |
| C2' | C3' | H3' | 111.2° | 110.6° |
| O2' | C2' | H2' | 105.2° | 110.4° |
| C2' | O2' | HO'2 | 110.3° | 106.8° |
| C4' | C3' | O3' | 109.9° | 110.5° |
| C4' | C3' | H3' | 112.7° | 110.5° |
| C3' | C4' | O4' | 105.2° | 104.8° |
| C3' | C4' | C5' | 114.6° | 110.4° |
| C3' | C4' | H4' | 109.0° | 110.4° |
| O3' | C3' | H3' | 106.5° | 110.4° |
| C3' | O3' | HO'3 | 111.5° | 106.8° |
| O4' | C4' | C5' | 109.4° | 110.4° |
| O4' | C4' | H4' | 114.2° | 110.4° |
| C5' | C4' | H4' | 104.7° | 110.3° |
| C4' | C5' | O5' | 110.4° | 109.4° |
| C4' | C5' | H5'1 | 111.9° | 109.5° |
| C4' | C5' | H5'2 | 111.9° | 109.4° |
| O5' | C5' | H5'1 | 111.9° | 109.5° |
| O5' | C5' | H5'2 | 111.9° | 109.5° |
| C5' | O5' | HO'5 | 110.3° | 106.7° |
| H5'1 | C5' | H5'2 | 98.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| I | C7 | C5 | C4 | 175.8° | 101.8° |
| I | C7 | C5 | C6 | 1.1° | 77.3° |
| I | C7 | C5 | N8 | 175.8° | 118.6° |
| I | C7 | C5 | H7 | 21.0° | 123.1° |
| I | C7 | N8 | H7 | 24.8° | 122.9° |
| I | C7 | N8 | N9 | 178.7° | 92.6° |
| I | C7 | N8 | HN8 | 53.4° | 19.8° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.9° | 0.1° |
| C2 | N1 | C6 | C5 | 2.7° | 0.3° |
| C2 | N1 | C6 | N6 | 179.4° | 180.0° |
| C6 | N1 | C2 | N3 | 1.2° | 0.2° |
| C6 | N1 | C2 | H2 | 178.9° | 179.9° |
| N1 | C6 | C5 | C4 | 4.0° | 0.9° |
| N1 | C6 | C5 | N6 | 176.5° | 179.7° |
| N1 | C6 | C5 | C7 | 179.2° | 179.9° |
| N1 | C6 | N6 | HN61 | 180.0° | 0.0° |
| N1 | C6 | N6 | HN62 | 54.7° | 179.7° |
| C2 | N3 | C4 | C5 | 2.5° | 0.5° |
| C2 | N3 | C4 | N9 | 177.4° | 179.6° |
| H2 | C2 | N3 | C4 | 179.1° | 180.0° |
| N3 | C4 | C5 | N9 | 175.7° | 179.9° |
| N3 | C4 | C5 | C6 | 4.2° | 1.0° |
| N3 | C4 | C5 | C7 | 178.2° | 179.7° |
| N3 | C4 | N9 | N8 | 179.7° | 162.2° |
| N3 | C4 | N9 | C1' | 2.9° | 47.7° |
| C4 | C5 | C6 | C7 | 176.8° | 179.1° |
| C4 | C5 | C6 | N6 | 179.5° | 179.4° |
| C4 | C5 | C7 | N8 | 0.1° | 16.8° |
| C4 | C5 | C7 | H7 | 163.2° | 135.1° |
| C5 | C4 | N9 | N8 | 4.0° | 17.7° |
| C5 | C4 | N9 | C1' | 178.6° | 132.2° |
| N9 | C4 | C5 | C6 | 179.9° | 179.1° |
| N9 | C4 | C5 | C7 | 2.5° | 0.2° |
| C4 | N9 | N8 | C7 | 4.3° | 27.8° |
| C4 | N9 | N8 | C1' | 176.8° | 114.5° |
| C4 | N9 | N8 | HN8 | 121.0° | 140.2° |
| C4 | N9 | C1' | C2' | 129.4° | 178.4° |
| C4 | N9 | C1' | O4' | 114.6° | 62.9° |
| C4 | N9 | C1' | H1' | 9.2° | 59.4° |
| C5 | C6 | N6 | HN61 | 3.5° | 179.7° |
| C5 | C6 | N6 | HN62 | 128.8° | 0.6° |
| C6 | C5 | C7 | N8 | 176.9° | 164.1° |
| C6 | C5 | C7 | H7 | 19.9° | 45.8° |
| C7 | C5 | C6 | N6 | 2.7° | 0.4° |
| C5 | C7 | N8 | H7 | 159.3° | 118.2° |
| C5 | C7 | N8 | N9 | 2.7° | 26.2° |
| C5 | C7 | N8 | HN8 | 122.5° | 138.6° |
| C6 | N6 | HN61 | HN62 | 125.2° | 179.7° |
| C7 | N8 | N9 | HN8 | 125.3° | 112.4° |
| C7 | N8 | N9 | C1' | 178.9° | 142.2° |
| H7 | C7 | N8 | N9 | 156.5° | 144.5° |
| H7 | C7 | N8 | HN8 | 78.2° | 103.1° |
| N8 | N9 | C1' | C2' | 54.1° | 66.3° |
| N8 | N9 | C1' | O4' | 61.9° | 178.2° |
| N8 | N9 | C1' | H1' | 174.3° | 55.9° |
| HN8 | N8 | N9 | C1' | 55.8° | 105.3° |
| N9 | C1' | C2' | O4' | 117.8° | 118.9° |
| N9 | C1' | C2' | H1' | 118.5° | 122.2° |
| N9 | C1' | O4' | H1' | 118.3° | 122.2° |
| N9 | C1' | C2' | C3' | 147.3° | 142.8° |
| N9 | C1' | C2' | O2' | 92.7° | 98.5° |
| N9 | C1' | C2' | H2' | 25.5° | 24.1° |
| N9 | C1' | O4' | C4' | 160.4° | 159.4° |
| C2' | C1' | O4' | H1' | 119.9° | 118.9° |
| C1' | C2' | C3' | O2' | 118.8° | 118.9° |
| C1' | C2' | C3' | H2' | 123.1° | 118.5° |
| C1' | C2' | O2' | H2' | 123.4° | 122.6° |
| C1' | C2' | C3' | C4' | 10.5° | 0.1° |
| C1' | C2' | C3' | O3' | 108.6° | 118.8° |
| C1' | C2' | C3' | H3' | 132.7° | 118.6° |
| C2' | C1' | O4' | C4' | 38.6° | 40.5° |
| C1' | C2' | O2' | HO'2 | 179.9° | 176.2° |
| O4' | C1' | C2' | C3' | 29.5° | 23.9° |
| O4' | C1' | C2' | O2' | 149.5° | 142.6° |
| O4' | C1' | C2' | H2' | 92.4° | 94.8° |
| C1' | O4' | C4' | C3' | 31.5° | 40.6° |
| C1' | O4' | C4' | C5' | 155.0° | 159.4° |
| C1' | O4' | C4' | H4' | 88.0° | 78.3° |
| H1' | C1' | C2' | C3' | 94.2° | 95.0° |
| H1' | C1' | C2' | O2' | 25.8° | 23.7° |
| H1' | C1' | C2' | H2' | 143.9° | 146.3° |
| H1' | C1' | O4' | C4' | 81.3° | 78.4° |
| C3' | C2' | O2' | H2' | 122.2° | 122.7° |
| C2' | C3' | C4' | O3' | 120.1° | 118.7° |
| C2' | C3' | C4' | H3' | 121.3° | 118.8° |
| C2' | C3' | O3' | H3' | 121.4° | 122.7° |
| C2' | C3' | C4' | O4' | 11.3° | 24.1° |
| C2' | C3' | C4' | C5' | 131.5° | 142.9° |
| C2' | C3' | C4' | H4' | 111.6° | 94.8° |
| C3' | C2' | O2' | HO'2 | 65.5° | 61.5° |
| C2' | C3' | O3' | HO'3 | 180.0° | 176.2° |
| O2' | C2' | C3' | C4' | 129.2° | 118.7° |
| O2' | C2' | C3' | O3' | 10.2° | 0.1° |
| O2' | C2' | C3' | H3' | 108.5° | 122.6° |
| H2' | C2' | C3' | C4' | 112.6° | 118.7° |
| H2' | C2' | C3' | O3' | 128.3° | 122.6° |
| H2' | C2' | C3' | H3' | 9.6° | 0.0° |
| H2' | C2' | O2' | HO'2 | 56.7° | 61.2° |
| C4' | C3' | O3' | H3' | 122.3° | 122.6° |
| C3' | C4' | O4' | C5' | 123.6° | 118.9° |
| C3' | C4' | O4' | H4' | 119.4° | 118.8° |
| C3' | C4' | C5' | H4' | 119.3° | 122.3° |
| C4' | C3' | O3' | HO'3 | 63.8° | 61.5° |
| C3' | C4' | C5' | O5' | 176.9° | 176.9° |
| C3' | C4' | C5' | H5'1 | 51.6° | 63.1° |
| C3' | C4' | C5' | H5'2 | 57.8° | 56.9° |
| O3' | C3' | C4' | O4' | 131.4° | 142.8° |
| O3' | C3' | C4' | C5' | 108.4° | 98.3° |
| O3' | C3' | C4' | H4' | 8.6° | 23.9° |
| H3' | C3' | C4' | O4' | 110.0° | 94.7° |
| H3' | C3' | C4' | C5' | 10.2° | 24.2° |
| H3' | C3' | C4' | H4' | 127.1° | 146.4° |
| H3' | C3' | O3' | HO'3 | 58.5° | 61.1° |
| O4' | C4' | C5' | H4' | 122.8° | 122.3° |
| O4' | C4' | C5' | O5' | 65.2° | 61.5° |
| O4' | C4' | C5' | H5'1 | 169.5° | 178.5° |
| O4' | C4' | C5' | H5'2 | 60.1° | 58.5° |
| C4' | C5' | O5' | H5'1 | 125.3° | 120.0° |
| C4' | C5' | O5' | H5'2 | 125.3° | 119.9° |
| C4' | C5' | H5'1 | H5'2 | 117.7° | 119.9° |
| C4' | C5' | O5' | HO'5 | 179.9° | 180.0° |
| H4' | C4' | C5' | O5' | 57.6° | 60.8° |
| H4' | C4' | C5' | H5'1 | 67.7° | 59.2° |
| H4' | C4' | C5' | H5'2 | 177.1° | 179.2° |
| O5' | C5' | H5'1 | H5'2 | 117.8° | 120.1° |
| H5'1 | C5' | O5' | HO'5 | 54.7° | 60.0° |
| H5'2 | C5' | O5' | HO'5 | 54.8° | 60.0° |
