QSO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.33Å | 1.39Å | |
| O1 | C8A | sing | 1.35Å | 1.38Å | |
| C8 | C8A | doub | 1.39Å | 1.44Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.43Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.37Å | |
| O4 | C7 | sing | 1.36Å | 1.35Å | |
| C8A | C4A | sing | 1.41Å | 1.44Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C6' | C5' | doub | 1.38Å | 1.42Å | Aromatic |
| C6' | C1' | sing | 1.39Å | 1.43Å | Aromatic |
| C3 | C1' | sing | 1.48Å | 1.50Å | |
| C3 | C4 | sing | 1.48Å | 1.52Å | |
| C5' | C4' | sing | 1.39Å | 1.43Å | Aromatic |
| C1' | C2' | doub | 1.39Å | 1.43Å | Aromatic |
| C4A | C4 | sing | 1.47Å | 1.51Å | |
| C4A | C5 | doub | 1.40Å | 1.52Å | Aromatic |
| CM | O5 | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.38Å | 1.50Å | Aromatic |
| C4 | O2 | doub | 1.22Å | 1.23Å | |
| C4' | O5 | sing | 1.36Å | 1.38Å | |
| C4' | C3' | doub | 1.39Å | 1.43Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | O3 | sing | 1.36Å | 1.36Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CM | HM3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | C8A | 118.4° | 121.3° |
| O1 | C2 | C3 | 126.4° | 123.1° |
| O1 | C2 | H2 | 116.8° | 118.4° |
| O1 | C8A | C8 | 118.1° | 120.5° |
| O1 | C8A | C4A | 123.6° | 120.4° |
| C8A | C8 | C7 | 125.1° | 120.2° |
| C8 | C8A | C4A | 118.3° | 119.1° |
| C8A | C8 | H8 | 117.5° | 119.9° |
| C8 | C7 | O4 | 120.6° | 119.6° |
| C8 | C7 | C6 | 118.1° | 120.8° |
| C7 | C8 | H8 | 117.4° | 119.9° |
| C2 | C3 | C1' | 121.2° | 121.0° |
| C2 | C3 | C4 | 117.4° | 118.1° |
| C3 | C2 | H2 | 116.8° | 118.5° |
| O4 | C7 | C6 | 121.3° | 119.6° |
| C7 | O4 | HO4 | 109.5° | 114.0° |
| C8A | C4A | C4 | 117.4° | 118.1° |
| C8A | C4A | C5 | 119.8° | 120.4° |
| C7 | C6 | C5 | 121.5° | 120.1° |
| C7 | C6 | H6 | 119.2° | 120.0° |
| C5' | C6' | C1' | 121.3° | 119.9° |
| C6' | C5' | C4' | 121.8° | 120.1° |
| C6' | C5' | H5' | 119.1° | 120.0° |
| C5' | C6' | H6' | 119.3° | 120.0° |
| C6' | C1' | C3 | 120.9° | 120.0° |
| C6' | C1' | C2' | 117.1° | 119.9° |
| C1' | C6' | H6' | 119.4° | 120.0° |
| C1' | C3 | C4 | 121.4° | 120.9° |
| C3 | C1' | C2' | 122.0° | 120.1° |
| C3 | C4 | C4A | 116.7° | 115.8° |
| C3 | C4 | O2 | 120.9° | 122.1° |
| C5' | C4' | O5 | 121.0° | 120.0° |
| C5' | C4' | C3' | 116.8° | 120.1° |
| C4' | C5' | H5' | 119.1° | 120.0° |
| C1' | C2' | C3' | 121.3° | 120.0° |
| C1' | C2' | H2' | 119.4° | 120.1° |
| C4 | C4A | C5 | 122.8° | 121.4° |
| C4A | C4 | O2 | 122.4° | 122.1° |
| C4A | C5 | C6 | 117.3° | 119.4° |
| C4A | C5 | O3 | 124.1° | 120.2° |
| CM | O5 | C4' | 115.4° | 117.0° |
| O5 | CM | HM1 | 109.5° | 109.5° |
| O5 | CM | HM2 | 109.4° | 109.5° |
| O5 | CM | HM3 | 109.4° | 109.5° |
| C6 | C5 | O3 | 118.6° | 120.3° |
| C5 | C6 | H6 | 119.2° | 119.9° |
| O5 | C4' | C3' | 122.2° | 119.9° |
| C4' | C3' | C2' | 121.8° | 120.0° |
| C4' | C3' | H3' | 119.1° | 119.9° |
| C3' | C2' | H2' | 119.3° | 120.0° |
| C2' | C3' | H3' | 119.1° | 120.0° |
| C5 | O3 | HO3 | 109.5° | 114.0° |
| HM1 | CM | HM2 | 109.5° | 109.5° |
| HM1 | CM | HM3 | 109.4° | 109.4° |
| HM2 | CM | HM3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | O1 | C8A | C8 | 179.8° | 164.7° |
| O1 | C2 | C3 | H2 | 180.0° | 179.7° |
| C2 | O1 | C8A | C4A | 1.0° | 16.4° |
| O1 | C2 | C3 | C1' | 179.8° | 179.4° |
| O1 | C2 | C3 | C4 | 0.2° | 0.6° |
| O1 | C8A | C8 | C4A | 179.2° | 178.9° |
| O1 | C8A | C8 | C7 | 180.0° | 178.5° |
| C8A | O1 | C2 | C3 | 0.6° | 16.0° |
| O1 | C8A | C4A | C4 | 1.0° | 2.0° |
| O1 | C8A | C4A | C5 | 179.9° | 178.6° |
| C8A | O1 | C2 | H2 | 179.4° | 163.7° |
| O1 | C8A | C8 | H8 | 0.0° | 1.5° |
| C8A | C8 | C7 | H8 | 180.0° | 180.0° |
| C8A | C8 | C7 | O4 | 179.7° | 180.0° |
| C8A | C8 | C7 | C6 | 0.4° | 0.4° |
| C8 | C8A | C4A | C4 | 179.9° | 179.1° |
| C8 | C8A | C4A | C5 | 0.9° | 0.3° |
| C8 | C7 | O4 | C6 | 179.9° | 179.5° |
| C7 | C8 | C8A | C4A | 0.8° | 0.4° |
| C8 | C7 | C6 | C5 | 0.2° | 0.3° |
| C8 | C7 | O4 | HO4 | 169.0° | 89.5° |
| C8 | C7 | C6 | H6 | 179.8° | 179.7° |
| C2 | C3 | C1' | C6' | 60.4° | 115.3° |
| C2 | C3 | C1' | C4 | 179.5° | 180.0° |
| C2 | C3 | C1' | C2' | 119.3° | 64.9° |
| C2 | C3 | C4 | C4A | 0.1° | 12.8° |
| C2 | C3 | C4 | O2 | 179.6° | 167.2° |
| O4 | C7 | C6 | C5 | 179.9° | 179.8° |
| O4 | C7 | C6 | H6 | 0.1° | 0.2° |
| O4 | C7 | C8 | H8 | 0.3° | 0.0° |
| C8A | C4A | C4 | C3 | 0.5° | 12.0° |
| C8A | C4A | C4 | C5 | 178.9° | 179.4° |
| C8A | C4A | C5 | C6 | 0.7° | 0.1° |
| C8A | C4A | C4 | O2 | 180.0° | 168.0° |
| C8A | C4A | C5 | O3 | 179.6° | 179.9° |
| C4A | C8A | C8 | H8 | 179.2° | 179.6° |
| C7 | C6 | C5 | C4A | 0.4° | 0.1° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | O3 | 180.0° | 179.9° |
| C6 | C7 | O4 | HO4 | 11.1° | 90.0° |
| C6 | C7 | C8 | H8 | 179.6° | 179.6° |
| C5' | C6' | C1' | H6' | 180.0° | 179.5° |
| C5' | C6' | C1' | C3 | 180.0° | 179.7° |
| C6' | C5' | C4' | H5' | 180.0° | 179.8° |
| C5' | C6' | C1' | C2' | 0.2° | 0.5° |
| C6' | C5' | C4' | O5 | 179.5° | 179.7° |
| C6' | C5' | C4' | C3' | 0.1° | 0.2° |
| C6' | C1' | C3 | C2' | 179.8° | 179.8° |
| C6' | C1' | C3 | C4 | 120.0° | 64.8° |
| C1' | C6' | C5' | C4' | 0.1° | 0.5° |
| C6' | C1' | C2' | C3' | 0.3° | 0.2° |
| C6' | C1' | C2' | H2' | 179.7° | 179.7° |
| C1' | C6' | C5' | H5' | 180.0° | 179.7° |
| C1' | C3 | C4 | C4A | 179.7° | 167.2° |
| C1' | C3 | C4 | O2 | 0.8° | 12.8° |
| C3 | C1' | C2' | C3' | 179.9° | 180.0° |
| C1' | C3 | C2 | H2 | 0.2° | 0.9° |
| C3 | C1' | C2' | H2' | 0.1° | 0.0° |
| C3 | C1' | C6' | H6' | 0.0° | 0.2° |
| C4 | C3 | C1' | C2' | 60.2° | 115.0° |
| C3 | C4 | C4A | O2 | 179.5° | 180.0° |
| C3 | C4 | C4A | C5 | 179.4° | 167.4° |
| C4 | C3 | C2 | H2 | 179.8° | 179.1° |
| C5' | C4' | O5 | CM | 99.7° | 0.0° |
| C5' | C4' | O5 | C3' | 179.6° | 180.0° |
| C5' | C4' | C3' | C2' | 0.0° | 0.0° |
| C5' | C4' | C3' | H3' | 180.0° | 180.0° |
| C4' | C5' | C6' | H6' | 179.9° | 180.0° |
| C1' | C2' | C3' | C4' | 0.2° | 0.1° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | H3' | 179.9° | 180.0° |
| C2' | C1' | C6' | H6' | 179.8° | 180.0° |
| C4 | C4A | C5 | C6 | 179.6° | 179.3° |
| C4 | C4A | C5 | O3 | 0.7° | 0.7° |
| C4A | C5 | C6 | O3 | 179.6° | 180.0° |
| C5 | C4A | C4 | O2 | 1.1° | 12.6° |
| C4A | C5 | C6 | H6 | 179.6° | 179.9° |
| C4A | C5 | O3 | HO3 | 15.4° | 89.9° |
| CM | O5 | C4' | C3' | 80.7° | 180.0° |
| O5 | CM | HM1 | HM2 | 120.0° | 120.0° |
| O5 | CM | HM1 | HM3 | 120.0° | 120.0° |
| O5 | CM | HM2 | HM3 | 120.0° | 120.1° |
| C6 | C5 | O3 | HO3 | 164.2° | 90.0° |
| O5 | C4' | C3' | C2' | 179.6° | 180.0° |
| O5 | C4' | C3' | H3' | 0.4° | 0.0° |
| O5 | C4' | C5' | H5' | 0.5° | 0.1° |
| C4' | O5 | CM | HM1 | 67.8° | 60.1° |
| C4' | O5 | CM | HM2 | 52.2° | 60.0° |
| C4' | O5 | CM | HM3 | 172.2° | 180.0° |
| C4' | C3' | C2' | H3' | 180.0° | 179.9° |
| C4' | C3' | C2' | H2' | 179.8° | 180.0° |
| C3' | C4' | C5' | H5' | 179.9° | 179.9° |
| O3 | C5 | C6 | H6 | 0.0° | 0.1° |
| H2' | C2' | C3' | H3' | 0.2° | 0.0° |
| H5' | C5' | C6' | H6' | 0.0° | 0.2° |
| HM1 | CM | HM2 | HM3 | 120.0° | 119.9° |
