0XR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.36Å | 1.36Å | |
| O3 | C3 | sing | 1.36Å | 1.36Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C1' | sing | 1.47Å | 1.53Å | |
| C1' | C2' | doub | 1.35Å | 1.53Å | |
| C2' | C3' | sing | 1.42Å | 1.53Å | |
| C3' | O2' | sing | 1.35Å | 1.36Å | |
| C3' | O1' | doub | 1.22Å | 1.23Å | |
| O2' | C4' | sing | 1.43Å | 1.43Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C5' | H1 | sing | 1.09Å | 1.10Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| C2' | H6 | sing | 1.08Å | 1.08Å | |
| C1' | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C5 | H12 | sing | 1.08Å | 1.08Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| O3 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C3 | 120.0° | 119.9° |
| O4 | C4 | C5 | 120.0° | 119.9° |
| C4 | O4 | H13 | 109.5° | 114.0° |
| O3 | C3 | C4 | 119.2° | 120.0° |
| O3 | C3 | C2 | 120.8° | 120.0° |
| C3 | O3 | H14 | 109.5° | 114.0° |
| C3 | C4 | C5 | 120.1° | 120.2° |
| C4 | C3 | C2 | 120.0° | 120.0° |
| C4 | C5 | C6 | 119.8° | 120.2° |
| C4 | C5 | H12 | 120.1° | 120.0° |
| C3 | C2 | C1 | 120.0° | 119.9° |
| C3 | C2 | H10 | 120.0° | 120.1° |
| C5 | C6 | C1 | 120.2° | 120.0° |
| C5 | C6 | H11 | 119.9° | 120.0° |
| C6 | C5 | H12 | 120.1° | 119.9° |
| C2 | C1 | C6 | 119.9° | 119.8° |
| C2 | C1 | C1' | 121.6° | 120.1° |
| C1 | C2 | H10 | 120.0° | 120.1° |
| C6 | C1 | C1' | 118.4° | 120.1° |
| C1 | C6 | H11 | 119.9° | 120.0° |
| C1 | C1' | C2' | 111.9° | 120.0° |
| C1 | C1' | H8 | 124.1° | 120.1° |
| C1' | C2' | C3' | 110.5° | 120.0° |
| C1' | C2' | H6 | 124.7° | 120.0° |
| C2' | C1' | H8 | 124.0° | 120.0° |
| C2' | C3' | O2' | 118.3° | 120.0° |
| C2' | C3' | O1' | 121.0° | 120.0° |
| C3' | C2' | H6 | 124.7° | 120.0° |
| O2' | C3' | O1' | 120.7° | 120.0° |
| C3' | O2' | C4' | 111.5° | 117.0° |
| O2' | C4' | C5' | 108.0° | 109.4° |
| O2' | C4' | H4 | 109.8° | 109.5° |
| O2' | C4' | H5 | 109.8° | 109.5° |
| C4' | C5' | H1 | 109.5° | 109.5° |
| C4' | C5' | H2 | 109.5° | 109.5° |
| C4' | C5' | H3 | 109.5° | 109.5° |
| C5' | C4' | H4 | 109.8° | 109.4° |
| C5' | C4' | H5 | 109.9° | 109.5° |
| H1 | C5' | H2 | 109.4° | 109.5° |
| H1 | C5' | H3 | 109.5° | 109.4° |
| H2 | C5' | H3 | 109.5° | 109.5° |
| H4 | C4' | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C3 | O3 | 1.1° | 0.2° |
| O4 | C4 | C3 | C5 | 179.8° | 179.9° |
| O4 | C4 | C3 | C2 | 179.8° | 180.0° |
| O4 | C4 | C5 | C6 | 180.0° | 180.0° |
| O4 | C4 | C5 | H12 | 0.0° | 0.1° |
| O3 | C3 | C4 | C2 | 179.0° | 179.8° |
| O3 | C3 | C4 | C5 | 179.1° | 180.0° |
| O3 | C3 | C2 | C1 | 178.7° | 179.7° |
| O3 | C3 | C2 | H10 | 1.3° | 0.2° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C4 | C3 | C2 | C1 | 0.3° | 0.1° |
| C4 | C3 | C2 | H10 | 179.7° | 180.0° |
| C3 | C4 | C5 | H12 | 179.8° | 179.8° |
| C3 | C4 | O4 | H13 | 180.0° | 90.0° |
| C4 | C3 | O3 | H14 | 180.0° | 90.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.1° |
| C4 | C5 | C6 | H12 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.0° | 0.1° |
| C4 | C5 | C6 | H11 | 180.0° | 179.9° |
| C5 | C4 | O4 | H13 | 0.2° | 89.9° |
| C3 | C2 | C1 | H10 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.5° | 0.3° |
| C3 | C2 | C1 | C1' | 176.0° | 180.0° |
| C2 | C3 | O3 | H14 | 1.0° | 89.8° |
| C5 | C6 | C1 | C2 | 0.4° | 0.3° |
| C5 | C6 | C1 | H11 | 180.0° | 180.0° |
| C5 | C6 | C1 | C1' | 176.3° | 180.0° |
| C2 | C1 | C6 | C1' | 176.7° | 179.6° |
| C2 | C1 | C1' | C2' | 0.6° | 180.0° |
| C2 | C1 | C1' | H8 | 179.4° | 0.1° |
| C2 | C1 | C6 | H11 | 179.6° | 179.7° |
| C6 | C1 | C1' | C2' | 176.0° | 0.3° |
| C6 | C1 | C1' | H8 | 4.0° | 179.7° |
| C6 | C1 | C2 | H10 | 179.4° | 179.8° |
| C1 | C6 | C5 | H12 | 180.0° | 180.0° |
| C1 | C1' | C2' | H8 | 180.0° | 180.0° |
| C1 | C1' | C2' | C3' | 176.6° | 180.0° |
| C1 | C1' | C2' | H6 | 3.4° | 0.0° |
| C1' | C1 | C2 | H10 | 4.0° | 0.1° |
| C1' | C1 | C6 | H11 | 3.7° | 0.1° |
| C1' | C2' | C3' | H6 | 180.0° | 180.0° |
| C1' | C2' | C3' | O2' | 168.2° | 180.0° |
| C1' | C2' | C3' | O1' | 12.6° | 0.0° |
| C2' | C3' | O2' | O1' | 179.2° | 180.0° |
| C2' | C3' | O2' | C4' | 178.5° | 180.0° |
| C3' | C2' | C1' | H8 | 3.4° | 0.0° |
| C3' | O2' | C4' | C5' | 168.3° | 180.0° |
| C3' | O2' | C4' | H4 | 71.9° | 60.1° |
| C3' | O2' | C4' | H5 | 48.5° | 60.0° |
| O2' | C3' | C2' | H6 | 11.8° | 0.0° |
| O1' | C3' | O2' | C4' | 0.7° | 0.0° |
| O1' | C3' | C2' | H6 | 167.4° | 180.0° |
| O2' | C4' | C5' | H4 | 119.7° | 119.9° |
| O2' | C4' | C5' | H5 | 119.8° | 120.0° |
| O2' | C4' | C5' | H1 | 180.0° | 60.0° |
| O2' | C4' | C5' | H2 | 60.0° | 60.1° |
| O2' | C4' | C5' | H3 | 60.0° | 180.0° |
| O2' | C4' | H4 | H5 | 120.7° | 120.1° |
| C4' | C5' | H1 | H2 | 120.0° | 120.0° |
| C4' | C5' | H1 | H3 | 120.0° | 120.0° |
| C4' | C5' | H2 | H3 | 120.0° | 120.0° |
| C5' | C4' | H4 | H5 | 120.7° | 120.0° |
| H1 | C5' | H2 | H3 | 120.0° | 120.0° |
| H1 | C5' | C4' | H4 | 60.3° | 60.0° |
| H1 | C5' | C4' | H5 | 60.2° | 180.0° |
| H2 | C5' | C4' | H4 | 179.7° | 180.0° |
| H2 | C5' | C4' | H5 | 59.8° | 60.0° |
| H3 | C5' | C4' | H4 | 59.7° | 60.0° |
| H3 | C5' | C4' | H5 | 179.8° | 60.0° |
| H6 | C2' | C1' | H8 | 176.6° | 180.0° |
| H11 | C6 | C5 | H12 | 0.0° | 0.0° |
