MZG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C7 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| CL1 | C6 | sing | 1.74Å | 1.72Å | |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | O1 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C7 | 118.3° | 120.0° |
| C1 | C2 | C3 | 124.2° | 120.0° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H5 | 109.5° | 109.5° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C2 | C7 | C6 | 120.5° | 120.1° |
| C7 | C2 | C3 | 117.5° | 120.0° |
| C2 | C7 | H3 | 119.7° | 120.0° |
| C7 | C6 | CL1 | 118.4° | 120.0° |
| C7 | C6 | C5 | 122.3° | 120.1° |
| C6 | C7 | H3 | 119.8° | 120.0° |
| CL1 | C6 | C5 | 119.2° | 120.0° |
| C2 | C3 | O1 | 121.5° | 120.1° |
| C2 | C3 | C4 | 121.2° | 119.9° |
| C6 | C5 | C4 | 118.4° | 120.0° |
| C6 | C5 | H2 | 120.8° | 119.9° |
| O1 | C3 | C4 | 117.3° | 120.0° |
| C3 | O1 | H7 | 109.5° | 114.0° |
| C3 | C4 | C5 | 120.0° | 119.9° |
| C3 | C4 | H1 | 120.0° | 120.1° |
| C5 | C4 | H1 | 120.0° | 120.0° |
| C4 | C5 | H2 | 120.8° | 120.0° |
| H4 | C1 | H5 | 109.4° | 109.4° |
| H4 | C1 | H6 | 109.4° | 109.4° |
| H5 | C1 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C7 | C3 | 177.2° | 179.8° |
| C1 | C2 | C7 | C6 | 179.0° | 180.0° |
| C1 | C2 | C3 | O1 | 2.7° | 0.2° |
| C1 | C2 | C3 | C4 | 178.9° | 179.8° |
| C1 | C2 | C7 | H3 | 1.0° | 0.2° |
| C2 | C1 | H4 | H5 | 120.0° | 120.0° |
| C2 | C1 | H4 | H6 | 120.0° | 120.0° |
| C2 | C1 | H5 | H6 | 120.0° | 120.1° |
| C2 | C7 | C6 | H3 | 180.0° | 179.7° |
| C2 | C7 | C6 | CL1 | 178.7° | 180.0° |
| C2 | C7 | C6 | C5 | 1.8° | 0.2° |
| C7 | C2 | C3 | O1 | 179.7° | 180.0° |
| C7 | C2 | C3 | C4 | 1.9° | 0.0° |
| C7 | C2 | C1 | H4 | 91.3° | 90.0° |
| C7 | C2 | C1 | H5 | 148.7° | 150.1° |
| C7 | C2 | C1 | H6 | 28.7° | 30.0° |
| C7 | C6 | CL1 | C5 | 177.1° | 179.8° |
| C6 | C7 | C2 | C3 | 1.8° | 0.2° |
| C7 | C6 | C5 | C4 | 1.7° | 0.0° |
| C7 | C6 | C5 | H2 | 178.3° | 180.0° |
| CL1 | C6 | C5 | C4 | 178.6° | 179.7° |
| CL1 | C6 | C5 | H2 | 1.4° | 0.2° |
| CL1 | C6 | C7 | H3 | 1.3° | 0.3° |
| C2 | C3 | O1 | C4 | 178.5° | 180.0° |
| C2 | C3 | C4 | C5 | 1.9° | 0.3° |
| C2 | C3 | C4 | H1 | 178.1° | 180.0° |
| C3 | C2 | C7 | H3 | 178.2° | 179.9° |
| C3 | C2 | C1 | H4 | 91.6° | 90.2° |
| C3 | C2 | C1 | H5 | 28.3° | 29.8° |
| C3 | C2 | C1 | H6 | 148.4° | 149.8° |
| C2 | C3 | O1 | H7 | 180.0° | 90.1° |
| C6 | C5 | C4 | C3 | 1.7° | 0.3° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 178.3° | 180.0° |
| C5 | C6 | C7 | H3 | 178.3° | 179.9° |
| O1 | C3 | C4 | C5 | 179.6° | 179.7° |
| O1 | C3 | C4 | H1 | 0.3° | 0.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | H2 | 178.3° | 179.8° |
| C4 | C3 | O1 | H7 | 1.5° | 89.9° |
| H1 | C4 | C5 | H2 | 1.7° | 0.1° |
| H4 | C1 | H5 | H6 | 120.0° | 119.9° |
