C2U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7B | C7 | sing | 1.35Å | 1.25Å | |
| C7 | O7A | doub | 1.21Å | 1.24Å | |
| C7 | C6 | sing | 1.47Å | 1.49Å | |
| C6 | C1 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | O5 | sing | 1.36Å | 1.36Å | |
| C5 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | CL4 | sing | 1.74Å | 1.76Å | |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | CL2 | sing | 1.74Å | 1.77Å | |
| O7B | HO7B | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7B | C7 | O7A | 125.0° | 120.0° |
| O7B | C7 | C6 | 118.7° | 120.0° |
| C7 | O7B | HO7B | 109.5° | 117.0° |
| O7A | C7 | C6 | 116.1° | 120.0° |
| C7 | C6 | C1 | 119.4° | 120.2° |
| C7 | C6 | C5 | 120.0° | 120.2° |
| C1 | C6 | C5 | 120.6° | 119.6° |
| C6 | C1 | C2 | 118.1° | 119.9° |
| C6 | C1 | H1 | 120.9° | 120.0° |
| C6 | C5 | O5 | 122.5° | 120.1° |
| C6 | C5 | C4 | 119.0° | 119.8° |
| C1 | C2 | C3 | 122.9° | 120.3° |
| C1 | C2 | CL2 | 118.4° | 119.8° |
| C2 | C1 | H1 | 120.9° | 120.1° |
| O5 | C5 | C4 | 118.5° | 120.1° |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| C5 | C4 | CL4 | 118.2° | 120.0° |
| C5 | C4 | C3 | 122.9° | 120.1° |
| CL4 | C4 | C3 | 119.0° | 119.9° |
| C4 | C3 | C2 | 116.4° | 120.4° |
| C4 | C3 | H3 | 121.8° | 119.8° |
| C3 | C2 | CL2 | 118.6° | 119.9° |
| C2 | C3 | H3 | 121.8° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7B | C7 | O7A | C6 | 174.6° | 180.0° |
| O7B | C7 | C6 | C1 | 2.8° | 0.0° |
| O7B | C7 | C6 | C5 | 178.3° | 179.7° |
| O7A | C7 | C6 | C1 | 172.2° | 180.0° |
| O7A | C7 | C6 | C5 | 6.8° | 0.3° |
| O7A | C7 | O7B | HO7B | 0.0° | 0.0° |
| C7 | C6 | C1 | C5 | 178.9° | 179.7° |
| C7 | C6 | C1 | C2 | 179.4° | 179.9° |
| C7 | C6 | C5 | O5 | 1.0° | 0.0° |
| C7 | C6 | C5 | C4 | 178.1° | 180.0° |
| C6 | C7 | O7B | HO7B | 174.5° | 180.0° |
| C7 | C6 | C1 | H1 | 0.6° | 0.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.9° |
| C1 | C6 | C5 | O5 | 179.9° | 179.8° |
| C1 | C6 | C5 | C4 | 0.8° | 0.3° |
| C6 | C1 | C2 | C3 | 1.9° | 0.1° |
| C6 | C1 | C2 | CL2 | 179.4° | 180.0° |
| C5 | C6 | C1 | C2 | 0.4° | 0.3° |
| C6 | C5 | O5 | C4 | 179.1° | 180.0° |
| C6 | C5 | C4 | CL4 | 178.1° | 180.0° |
| C6 | C5 | C4 | C3 | 0.7° | 0.1° |
| C5 | C6 | C1 | H1 | 179.6° | 179.8° |
| C6 | C5 | O5 | HO5 | 147.8° | 90.0° |
| C1 | C2 | C3 | C4 | 2.0° | 0.3° |
| C1 | C2 | C3 | CL2 | 177.4° | 180.0° |
| C1 | C2 | C3 | H3 | 177.9° | 180.0° |
| O5 | C5 | C4 | CL4 | 1.0° | 0.0° |
| O5 | C5 | C4 | C3 | 179.8° | 179.9° |
| C5 | C4 | CL4 | C3 | 178.8° | 179.9° |
| C5 | C4 | C3 | C2 | 0.7° | 0.3° |
| C4 | C5 | O5 | HO5 | 33.1° | 90.0° |
| C5 | C4 | C3 | H3 | 179.3° | 180.0° |
| CL4 | C4 | C3 | C2 | 179.5° | 179.7° |
| CL4 | C4 | C3 | H3 | 0.5° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.7° |
| C4 | C3 | C2 | CL2 | 179.5° | 179.7° |
| C3 | C2 | C1 | H1 | 178.1° | 180.0° |
| CL2 | C2 | C1 | H1 | 0.6° | 0.1° |
| CL2 | C2 | C3 | H3 | 0.5° | 0.0° |
