GJV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C6 | sing | 1.38Å | 1.34Å | |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.39Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.36Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.46Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| O4' | C4' | sing | 1.44Å | 1.44Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| N10 | C9' | sing | 1.33Å | 1.32Å | |
| C7' | N8' | sing | 1.47Å | 1.45Å | |
| C7' | C6' | sing | 1.53Å | 1.52Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | C6' | sing | 1.53Å | 1.52Å | |
| C9' | N8' | sing | 1.37Å | 1.33Å | |
| C9' | N11 | doub | 1.33Å | 1.32Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | H1N6 | sing | 0.97Å | 1.00Å | |
| N6 | H2N6 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| N10 | H20' | sing | 0.97Å | 1.00Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| N11 | H21 | sing | 0.97Å | 1.00Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H15' | sing | 1.09Å | 1.10Å | |
| C5' | H25' | sing | 1.09Å | 1.10Å | |
| C6' | H16' | sing | 1.09Å | 1.10Å | |
| C6' | H26' | sing | 1.09Å | 1.10Å | |
| C7' | H17' | sing | 1.09Å | 1.10Å | |
| C7' | H27' | sing | 1.09Å | 1.10Å | |
| N8' | HN8' | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C6 | N1 | 118.3° | 120.8° |
| N6 | C6 | C5 | 123.9° | 120.8° |
| C6 | N6 | H1N6 | 109.5° | 120.0° |
| C6 | N6 | H2N6 | 109.5° | 119.9° |
| C6 | N1 | C2 | 118.7° | 121.2° |
| N1 | C6 | C5 | 117.7° | 118.4° |
| N1 | C2 | N3 | 128.9° | 122.5° |
| N1 | C2 | H2 | 115.5° | 118.7° |
| C6 | C5 | C4 | 117.5° | 118.2° |
| C6 | C5 | N7 | 132.8° | 134.7° |
| C2 | N3 | C4 | 111.2° | 120.6° |
| N3 | C2 | H2 | 115.5° | 118.8° |
| C4 | C5 | N7 | 109.7° | 107.2° |
| C5 | C4 | N3 | 125.9° | 119.1° |
| C5 | C4 | N9 | 106.4° | 106.0° |
| C5 | N7 | C8 | 104.4° | 109.4° |
| N3 | C4 | N9 | 127.7° | 134.9° |
| C4 | N9 | C8 | 105.8° | 107.4° |
| C4 | N9 | C1' | 127.7° | 126.3° |
| N7 | C8 | N9 | 113.7° | 110.0° |
| N7 | C8 | H8 | 123.2° | 125.0° |
| C8 | N9 | C1' | 126.4° | 126.3° |
| N9 | C8 | H8 | 123.1° | 125.0° |
| N9 | C1' | O4' | 108.3° | 110.6° |
| N9 | C1' | C2' | 113.9° | 110.6° |
| N9 | C1' | H1' | 109.4° | 110.5° |
| C1' | O4' | C4' | 110.3° | 107.0° |
| O4' | C1' | C2' | 106.6° | 103.5° |
| O4' | C1' | H1' | 110.0° | 110.7° |
| O4' | C4' | C5' | 106.3° | 110.0° |
| O4' | C4' | C3' | 105.8° | 107.3° |
| O4' | C4' | H4' | 110.1° | 109.8° |
| C1' | C2' | C3' | 101.4° | 102.1° |
| C1' | C2' | O2' | 110.3° | 110.9° |
| C2' | C1' | H1' | 108.5° | 110.6° |
| C1' | C2' | H2' | 110.4° | 110.9° |
| N10 | C9' | N8' | 119.2° | 120.0° |
| N10 | C9' | N11 | 120.2° | 120.0° |
| C9' | N10 | H10 | 120.0° | 120.0° |
| C9' | N10 | H20' | 120.0° | 120.0° |
| N8' | C7' | C6' | 112.5° | 109.5° |
| C7' | N8' | C9' | 123.9° | 120.0° |
| N8' | C7' | H17' | 108.7° | 109.5° |
| N8' | C7' | H27' | 108.7° | 109.4° |
| C7' | N8' | HN8' | 118.0° | 120.0° |
| C7' | C6' | C5' | 111.5° | 109.5° |
| C7' | C6' | H16' | 109.0° | 109.4° |
| C7' | C6' | H26' | 109.0° | 109.5° |
| C6' | C7' | H17' | 108.7° | 109.5° |
| C6' | C7' | H27' | 108.7° | 109.5° |
| C4' | C5' | C6' | 113.5° | 109.5° |
| C5' | C4' | C3' | 116.3° | 109.9° |
| C5' | C4' | H4' | 109.2° | 109.9° |
| C4' | C5' | H15' | 108.5° | 109.4° |
| C4' | C5' | H25' | 108.4° | 109.5° |
| C6' | C5' | H15' | 108.4° | 109.4° |
| C6' | C5' | H25' | 108.5° | 109.4° |
| C5' | C6' | H16' | 108.9° | 109.4° |
| C5' | C6' | H26' | 109.0° | 109.4° |
| N8' | C9' | N11 | 120.5° | 120.0° |
| C9' | N8' | HN8' | 118.0° | 120.0° |
| C9' | N11 | H11 | 120.0° | 120.0° |
| C9' | N11 | H21 | 120.0° | 120.0° |
| C4' | C3' | C2' | 102.5° | 104.2° |
| C4' | C3' | O3' | 111.3° | 110.5° |
| C4' | C3' | H3' | 109.7° | 110.6° |
| C3' | C4' | H4' | 109.0° | 109.9° |
| C3' | C2' | O2' | 112.0° | 110.9° |
| C2' | C3' | O3' | 112.1° | 110.5° |
| C3' | C2' | H2' | 110.4° | 110.9° |
| C2' | C3' | H3' | 109.7° | 110.5° |
| O2' | C2' | H2' | 111.9° | 110.9° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| O3' | C3' | H3' | 111.2° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| H1N6 | N6 | H2N6 | 109.5° | 120.0° |
| H10 | N10 | H20' | 120.0° | 120.0° |
| H11 | N11 | H21 | 120.0° | 120.0° |
| H15' | C5' | H25' | 109.5° | 109.5° |
| H16' | C6' | H26' | 109.5° | 109.5° |
| H17' | C7' | H27' | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C6 | N1 | C5 | 179.7° | 180.0° |
| N6 | C6 | N1 | C2 | 179.6° | 180.0° |
| N6 | C6 | C5 | C4 | 179.5° | 180.0° |
| N6 | C6 | C5 | N7 | 0.5° | 0.0° |
| C6 | N6 | H1N6 | H2N6 | 120.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.1° |
| N1 | C6 | C5 | C4 | 0.2° | 0.0° |
| N1 | C6 | C5 | N7 | 179.8° | 180.0° |
| C6 | N1 | C2 | H2 | 180.0° | 180.0° |
| N1 | C6 | N6 | H1N6 | 0.0° | 0.0° |
| N1 | C6 | N6 | H2N6 | 120.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.0° | 0.1° |
| C6 | C5 | C4 | N7 | 180.0° | 180.0° |
| C6 | C5 | C4 | N3 | 0.1° | 0.0° |
| C6 | C5 | C4 | N9 | 180.0° | 180.0° |
| C6 | C5 | N7 | C8 | 179.9° | 180.0° |
| C5 | C6 | N6 | H1N6 | 179.7° | 180.0° |
| C5 | C6 | N6 | H2N6 | 60.3° | 0.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.1° |
| C2 | N3 | C4 | N9 | 179.9° | 180.0° |
| C5 | C4 | N3 | N9 | 179.8° | 180.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.0° |
| C5 | C4 | N9 | C8 | 0.1° | 0.0° |
| C5 | C4 | N9 | C1' | 179.8° | 180.0° |
| N7 | C5 | C4 | N3 | 179.8° | 180.0° |
| N7 | C5 | C4 | N9 | 0.0° | 0.0° |
| C5 | N7 | C8 | N9 | 0.1° | 0.0° |
| C5 | N7 | C8 | H8 | 179.9° | 180.0° |
| N3 | C4 | N9 | C8 | 179.8° | 180.0° |
| N3 | C4 | N9 | C1' | 0.4° | 0.0° |
| C4 | N3 | C2 | H2 | 180.0° | 180.0° |
| C4 | N9 | C8 | N7 | 0.1° | 0.0° |
| C4 | N9 | C8 | C1' | 179.9° | 179.9° |
| C4 | N9 | C1' | O4' | 110.1° | 160.9° |
| C4 | N9 | C1' | C2' | 131.5° | 85.0° |
| C4 | N9 | C8 | H8 | 179.9° | 179.9° |
| C4 | N9 | C1' | H1' | 9.9° | 37.9° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C1' | 179.7° | 180.0° |
| C8 | N9 | C1' | O4' | 70.1° | 19.0° |
| C8 | N9 | C1' | C2' | 48.3° | 95.1° |
| C8 | N9 | C1' | H1' | 170.0° | 142.1° |
| N9 | C1' | O4' | C2' | 123.0° | 118.5° |
| N9 | C1' | O4' | H1' | 119.6° | 122.9° |
| N9 | C1' | O4' | C4' | 138.0° | 158.5° |
| N9 | C1' | C2' | H1' | 122.2° | 122.8° |
| N9 | C1' | C2' | C3' | 151.3° | 155.5° |
| N9 | C1' | C2' | O2' | 89.9° | 86.3° |
| C1' | N9 | C8 | H8 | 0.3° | 0.1° |
| N9 | C1' | C2' | H2' | 34.3° | 37.4° |
| O4' | C1' | C2' | H1' | 118.4° | 118.7° |
| C1' | O4' | C4' | C5' | 115.8° | 146.0° |
| C1' | O4' | C4' | C3' | 8.4° | 26.5° |
| O4' | C1' | C2' | C3' | 31.9° | 37.0° |
| O4' | C1' | C2' | O2' | 150.7° | 155.2° |
| O4' | C1' | C2' | H2' | 85.1° | 81.1° |
| C1' | O4' | C4' | H4' | 126.1° | 93.0° |
| C4' | O4' | C1' | C2' | 15.1° | 40.0° |
| O4' | C4' | C5' | C3' | 117.5° | 117.9° |
| O4' | C4' | C5' | H4' | 118.7° | 121.1° |
| O4' | C4' | C5' | C6' | 140.4° | 67.1° |
| O4' | C4' | C3' | H4' | 118.4° | 119.4° |
| O4' | C4' | C3' | C2' | 28.0° | 2.0° |
| O4' | C4' | C3' | O3' | 92.0° | 120.7° |
| C4' | O4' | C1' | H1' | 102.4° | 78.6° |
| O4' | C4' | C3' | H3' | 144.5° | 116.7° |
| O4' | C4' | C5' | H15' | 99.0° | 172.9° |
| O4' | C4' | C5' | H25' | 19.8° | 52.9° |
| C1' | C2' | C3' | C4' | 35.7° | 20.9° |
| C1' | C2' | C3' | O2' | 117.6° | 118.2° |
| C1' | C2' | C3' | H2' | 117.0° | 118.2° |
| C1' | C2' | O2' | H2' | 123.3° | 123.7° |
| C1' | C2' | C3' | O3' | 83.9° | 97.8° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | H3' | 152.1° | 139.7° |
| N10 | C9' | N8' | C7' | 0.9° | 0.1° |
| N10 | C9' | N8' | N11 | 179.2° | 179.9° |
| C9' | N10 | H10 | H20' | 180.0° | 180.0° |
| N10 | C9' | N11 | H11 | 179.2° | 180.0° |
| N10 | C9' | N11 | H21 | 0.8° | 0.0° |
| N10 | C9' | N8' | HN8' | 179.1° | 180.0° |
| N8' | C7' | C6' | H17' | 120.5° | 120.0° |
| N8' | C7' | C6' | H27' | 120.5° | 120.0° |
| N8' | C7' | C6' | C5' | 76.3° | 180.0° |
| C7' | N8' | C9' | HN8' | 180.0° | 179.9° |
| C7' | N8' | C9' | N11 | 178.3° | 180.0° |
| N8' | C7' | C6' | H16' | 43.9° | 60.1° |
| N8' | C7' | C6' | H26' | 163.3° | 60.0° |
| N8' | C7' | H17' | H27' | 118.6° | 120.0° |
| C7' | C6' | C5' | C4' | 147.8° | 180.0° |
| C7' | C6' | C5' | H16' | 120.3° | 120.0° |
| C7' | C6' | C5' | H26' | 120.3° | 120.0° |
| C6' | C7' | N8' | C9' | 152.9° | 180.0° |
| C7' | C6' | C5' | H15' | 91.6° | 60.0° |
| C7' | C6' | C5' | H25' | 27.2° | 60.0° |
| C7' | C6' | H16' | H26' | 119.1° | 120.1° |
| C6' | C7' | H17' | H27' | 118.6° | 120.0° |
| C6' | C7' | N8' | HN8' | 27.1° | 0.1° |
| C4' | C5' | C6' | H15' | 120.6° | 120.0° |
| C4' | C5' | C6' | H25' | 120.6° | 120.0° |
| C5' | C4' | C3' | H4' | 123.9° | 121.0° |
| C5' | C4' | C3' | C2' | 89.7° | 121.6° |
| C5' | C4' | C3' | O3' | 150.2° | 119.7° |
| C5' | C4' | C3' | H3' | 26.7° | 2.9° |
| C4' | C5' | H15' | H25' | 118.2° | 120.1° |
| C4' | C5' | C6' | H16' | 91.9° | 60.0° |
| C4' | C5' | C6' | H26' | 27.5° | 60.0° |
| C6' | C5' | C4' | C3' | 102.1° | 175.0° |
| C6' | C5' | C4' | H4' | 21.7° | 54.0° |
| C6' | C5' | H15' | H25' | 118.2° | 120.0° |
| C5' | C6' | H16' | H26' | 119.1° | 120.0° |
| C5' | C6' | C7' | H17' | 163.2° | 60.0° |
| C5' | C6' | C7' | H27' | 44.1° | 60.0° |
| N8' | C9' | N10 | H10 | 179.2° | 0.0° |
| N8' | C9' | N10 | H20' | 0.8° | 180.0° |
| N8' | C9' | N11 | H11 | 0.0° | 0.1° |
| N8' | C9' | N11 | H21 | 180.0° | 180.0° |
| C9' | N8' | C7' | H17' | 32.5° | 60.0° |
| C9' | N8' | C7' | H27' | 86.6° | 59.9° |
| N11 | C9' | N10 | H10 | 0.0° | 179.9° |
| N11 | C9' | N10 | H20' | 180.0° | 0.0° |
| C9' | N11 | H11 | H21 | 180.0° | 180.0° |
| N11 | C9' | N8' | HN8' | 1.7° | 0.1° |
| C4' | C3' | C2' | O3' | 119.5° | 118.7° |
| C4' | C3' | C2' | H3' | 116.4° | 118.8° |
| C4' | C3' | C2' | O2' | 153.3° | 139.1° |
| C4' | C3' | O3' | H3' | 122.6° | 122.7° |
| C4' | C3' | C2' | H2' | 81.3° | 97.3° |
| C4' | C3' | O3' | HO3' | 180.0° | 176.3° |
| C3' | C4' | C5' | H15' | 18.5° | 55.0° |
| C3' | C4' | C5' | H25' | 137.3° | 65.0° |
| C3' | C2' | O2' | H2' | 124.6° | 123.6° |
| C2' | C3' | O3' | H3' | 123.2° | 122.5° |
| C3' | C2' | C1' | H1' | 86.5° | 81.7° |
| C3' | C2' | O2' | HO2' | 67.8° | 67.3° |
| C2' | C3' | O3' | HO3' | 65.8° | 61.5° |
| C2' | C3' | C4' | H4' | 146.4° | 117.4° |
| O2' | C2' | C3' | O3' | 33.7° | 20.4° |
| O2' | C2' | C1' | H1' | 32.2° | 36.5° |
| O2' | C2' | C3' | H3' | 90.3° | 102.1° |
| O3' | C3' | C2' | H2' | 159.2° | 144.0° |
| O3' | C3' | C4' | H4' | 26.3° | 1.3° |
| H1' | C1' | C2' | H2' | 156.5° | 160.2° |
| H2' | C2' | O2' | HO2' | 56.7° | 56.3° |
| H2' | C2' | C3' | H3' | 35.1° | 21.5° |
| H3' | C3' | O3' | HO3' | 57.4° | 61.1° |
| H3' | C3' | C4' | H4' | 97.1° | 123.9° |
| H4' | C4' | C5' | H15' | 142.3° | 66.0° |
| H4' | C4' | C5' | H25' | 98.9° | 173.9° |
| H15' | C5' | C6' | H16' | 28.7° | 180.0° |
| H15' | C5' | C6' | H26' | 148.1° | 60.0° |
| H25' | C5' | C6' | H16' | 147.5° | 60.0° |
| H25' | C5' | C6' | H26' | 93.1° | NaN° |
| H16' | C6' | C7' | H17' | 76.5° | 180.0° |
| H16' | C6' | C7' | H27' | 164.4° | 60.0° |
| H26' | C6' | C7' | H17' | 42.9° | 60.0° |
| H26' | C6' | C7' | H27' | 76.2° | 180.0° |
| H17' | C7' | N8' | HN8' | 147.5° | 120.1° |
| H27' | C7' | N8' | HN8' | 93.4° | 120.0° |
