JZ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C14 | sing | 1.74Å | 1.70Å | |
| C14 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | OAB | sing | 1.36Å | 1.37Å | |
| C11 | C7 | sing | 1.51Å | 1.54Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C14 | C5 | 118.0° | 120.0° |
| CL | C14 | C13 | 119.3° | 120.0° |
| C5 | C14 | C13 | 122.7° | 120.1° |
| C14 | C5 | C6 | 118.7° | 119.9° |
| C14 | C5 | H5 | 120.7° | 120.0° |
| C14 | C13 | C12 | 118.4° | 120.1° |
| C14 | C13 | H13 | 120.8° | 119.9° |
| C5 | C6 | C11 | 120.0° | 119.9° |
| C5 | C6 | OAB | 117.4° | 120.0° |
| C6 | C5 | H5 | 120.6° | 120.1° |
| C11 | C6 | OAB | 122.6° | 120.1° |
| C6 | C11 | C7 | 121.8° | 120.0° |
| C6 | C11 | C12 | 120.3° | 120.0° |
| C6 | OAB | HOAB | 109.5° | 114.0° |
| C7 | C11 | C12 | 118.0° | 120.0° |
| C11 | C7 | H7 | 109.5° | 109.5° |
| C11 | C7 | H7A | 109.5° | 109.5° |
| C11 | C7 | H7B | 109.5° | 109.5° |
| C11 | C12 | C13 | 119.9° | 120.1° |
| C11 | C12 | H12 | 120.1° | 120.0° |
| C13 | C12 | H12 | 120.0° | 119.9° |
| C12 | C13 | H13 | 120.8° | 120.0° |
| H7 | C7 | H7A | 109.4° | 109.4° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C14 | C5 | C13 | 179.2° | 179.7° |
| CL | C14 | C5 | C6 | 179.5° | 180.0° |
| CL | C14 | C13 | C12 | 179.9° | 179.7° |
| CL | C14 | C5 | H5 | 0.5° | 0.0° |
| CL | C14 | C13 | H13 | 0.1° | 0.1° |
| C14 | C5 | C6 | H5 | 180.0° | 180.0° |
| C14 | C5 | C6 | C11 | 0.1° | 0.0° |
| C14 | C5 | C6 | OAB | 179.5° | 180.0° |
| C5 | C14 | C13 | C12 | 0.9° | 0.5° |
| C5 | C14 | C13 | H13 | 179.1° | 179.7° |
| C13 | C14 | C5 | C6 | 0.4° | 0.2° |
| C14 | C13 | C12 | C11 | 1.0° | 0.6° |
| C14 | C13 | C12 | H13 | 180.0° | 179.8° |
| C13 | C14 | C5 | H5 | 179.7° | 179.8° |
| C14 | C13 | C12 | H12 | 179.0° | 179.7° |
| C5 | C6 | C11 | OAB | 179.4° | 180.0° |
| C5 | C6 | C11 | C7 | 178.9° | 180.0° |
| C5 | C6 | C11 | C12 | 0.1° | 0.0° |
| C5 | C6 | OAB | HOAB | 180.0° | 90.0° |
| C6 | C11 | C7 | C12 | 178.9° | 180.0° |
| C6 | C11 | C12 | C13 | 0.6° | 0.3° |
| C11 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C11 | C7 | H7 | 90.6° | 90.0° |
| C6 | C11 | C7 | H7A | 149.4° | 150.0° |
| C6 | C11 | C7 | H7B | 29.4° | 30.0° |
| C6 | C11 | C12 | H12 | 179.4° | 180.0° |
| C11 | C6 | OAB | HOAB | 0.6° | 90.0° |
| OAB | C6 | C11 | C7 | 0.5° | 0.0° |
| OAB | C6 | C11 | C12 | 179.3° | 179.9° |
| OAB | C6 | C5 | H5 | 0.5° | 0.0° |
| C7 | C11 | C12 | C13 | 179.5° | 179.7° |
| C11 | C7 | H7 | H7A | 120.0° | 120.0° |
| C11 | C7 | H7 | H7B | 120.0° | 120.0° |
| C11 | C7 | H7A | H7B | 120.0° | 120.0° |
| C7 | C11 | C12 | H12 | 0.5° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.7° |
| C12 | C11 | C7 | H7 | 90.5° | 90.0° |
| C12 | C11 | C7 | H7A | 29.5° | 30.0° |
| C12 | C11 | C7 | H7B | 149.5° | 149.9° |
| C11 | C12 | C13 | H13 | 179.0° | 179.6° |
| H7 | C7 | H7A | H7B | 120.0° | 120.0° |
| H12 | C12 | C13 | H13 | 1.0° | 0.0° |
