4CH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL9 | C4 | sing | 1.74Å | 1.80Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | O7 | sing | 1.36Å | 1.36Å | |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL9 | C4 | C5 | 119.9° | 119.9° |
| CL9 | C4 | C3 | 120.6° | 119.9° |
| C5 | C4 | C3 | 119.5° | 120.2° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C4 | C5 | H5 | 119.9° | 120.1° |
| C4 | C3 | C2 | 120.2° | 120.0° |
| C4 | C3 | H3 | 119.9° | 120.1° |
| C5 | C6 | C1 | 120.0° | 119.9° |
| C6 | C5 | H5 | 119.9° | 119.9° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C6 | C1 | O7 | 120.4° | 120.0° |
| C6 | C1 | C2 | 119.9° | 120.0° |
| C1 | C6 | H6 | 120.0° | 120.0° |
| O7 | C1 | C2 | 119.7° | 120.0° |
| C1 | O7 | HO7 | 109.5° | 114.0° |
| C1 | C2 | C3 | 120.2° | 119.9° |
| C1 | C2 | H2 | 119.9° | 120.0° |
| C3 | C2 | H2 | 119.9° | 120.0° |
| C2 | C3 | H3 | 119.9° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL9 | C4 | C5 | C3 | 179.3° | 179.7° |
| CL9 | C4 | C5 | C6 | 179.8° | 180.0° |
| CL9 | C4 | C3 | C2 | 179.6° | 179.7° |
| CL9 | C4 | C5 | H5 | 0.2° | 0.0° |
| CL9 | C4 | C3 | H3 | 0.4° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.0° | 0.0° |
| C5 | C4 | C3 | C2 | 1.1° | 0.5° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 178.8° | 179.8° |
| C3 | C4 | C5 | C6 | 0.6° | 0.3° |
| C4 | C3 | C2 | C1 | 1.1° | 0.5° |
| C4 | C3 | C2 | H3 | 180.0° | 179.7° |
| C3 | C4 | C5 | H5 | 179.4° | 179.8° |
| C4 | C3 | C2 | H2 | 178.9° | 179.7° |
| C5 | C6 | C1 | H6 | 180.0° | 179.9° |
| C5 | C6 | C1 | O7 | 179.7° | 180.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C6 | C1 | O7 | C2 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.5° | 0.3° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | C1 | O7 | HO7 | 28.2° | 90.0° |
| C6 | C1 | C2 | H2 | 179.5° | 179.9° |
| O7 | C1 | C2 | C3 | 179.7° | 179.7° |
| O7 | C1 | C6 | H6 | 0.3° | 0.0° |
| O7 | C1 | C2 | H2 | 0.3° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C2 | C1 | O7 | HO7 | 152.0° | 90.0° |
| C1 | C2 | C3 | H3 | 178.9° | 179.8° |
| H5 | C5 | C6 | H6 | 0.0° | 0.1° |
| H2 | C2 | C3 | H3 | 1.1° | 0.0° |
