MGZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F20 | C19 | sing | 1.40Å | 1.34Å | |
| F22 | C19 | sing | 1.40Å | 1.34Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C15 | sing | 1.51Å | 1.53Å | |
| C19 | F21 | sing | 1.40Å | 1.33Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | O12 | sing | 1.36Å | 1.40Å | |
| O12 | C8 | sing | 1.43Å | 1.39Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C4 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | CL1 | sing | 1.74Å | 1.73Å | |
| C9 | O10 | doub | 1.21Å | 1.26Å | |
| C9 | O11 | sing | 1.34Å | 1.26Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| O11 | H6 | sing | 0.97Å | 0.95Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F20 | C19 | F22 | 109.4° | 109.5° |
| F20 | C19 | C15 | 108.7° | 109.5° |
| F20 | C19 | F21 | 107.6° | 109.5° |
| F22 | C19 | C15 | 111.9° | 109.5° |
| F22 | C19 | F21 | 108.2° | 109.4° |
| C17 | C18 | C15 | 121.8° | 120.2° |
| C18 | C17 | C16 | 119.9° | 120.0° |
| C18 | C17 | H9 | 120.1° | 120.0° |
| C17 | C18 | H10 | 119.1° | 119.9° |
| C18 | C15 | C19 | 119.6° | 120.0° |
| C18 | C15 | C14 | 118.3° | 120.0° |
| C15 | C18 | H10 | 119.1° | 120.0° |
| C17 | C16 | C13 | 118.7° | 120.0° |
| C17 | C16 | H7 | 120.6° | 120.0° |
| C16 | C17 | H9 | 120.1° | 120.0° |
| C15 | C19 | F21 | 110.9° | 109.4° |
| C19 | C15 | C14 | 122.2° | 120.0° |
| C15 | C14 | C13 | 119.7° | 120.0° |
| C15 | C14 | H8 | 120.2° | 120.0° |
| C16 | C13 | C14 | 121.6° | 119.9° |
| C16 | C13 | O12 | 117.0° | 120.0° |
| C13 | C16 | H7 | 120.6° | 120.0° |
| C14 | C13 | O12 | 121.1° | 120.1° |
| C13 | C14 | H8 | 120.1° | 120.0° |
| C13 | O12 | C8 | 126.3° | 117.0° |
| O12 | C8 | C7 | 102.6° | 109.5° |
| O12 | C8 | C9 | 105.3° | 109.4° |
| O12 | C8 | H5 | 112.5° | 109.5° |
| C7 | C8 | C9 | 115.3° | 109.5° |
| C8 | C7 | C4 | 116.3° | 120.0° |
| C8 | C7 | C6 | 123.1° | 120.0° |
| C7 | C8 | H5 | 110.5° | 109.5° |
| C8 | C9 | O10 | 121.2° | 120.0° |
| C8 | C9 | O11 | 120.2° | 120.0° |
| C9 | C8 | H5 | 110.4° | 109.5° |
| C7 | C4 | C3 | 119.8° | 120.0° |
| C4 | C7 | C6 | 120.5° | 120.0° |
| C7 | C4 | H2 | 120.1° | 120.0° |
| C4 | C3 | C2 | 119.8° | 120.0° |
| C4 | C3 | H1 | 120.1° | 120.0° |
| C3 | C4 | H2 | 120.1° | 120.0° |
| C7 | C6 | C5 | 119.5° | 120.0° |
| C7 | C6 | H4 | 120.2° | 120.0° |
| C3 | C2 | C5 | 121.1° | 120.0° |
| C3 | C2 | CL1 | 118.0° | 120.0° |
| C2 | C3 | H1 | 120.1° | 120.0° |
| C6 | C5 | C2 | 119.3° | 120.0° |
| C6 | C5 | H3 | 120.4° | 120.0° |
| C5 | C6 | H4 | 120.3° | 120.0° |
| C5 | C2 | CL1 | 120.9° | 120.0° |
| C2 | C5 | H3 | 120.3° | 120.0° |
| O10 | C9 | O11 | 118.6° | 120.0° |
| C9 | O11 | H6 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F20 | C19 | F22 | C15 | 120.6° | 120.1° |
| F20 | C19 | F22 | F21 | 117.0° | 120.0° |
| F20 | C19 | C15 | C18 | 81.6° | 150.0° |
| F20 | C19 | C15 | F21 | 118.1° | 120.0° |
| F20 | C19 | C15 | C14 | 98.1° | 30.0° |
| F22 | C19 | C15 | C18 | 39.4° | 30.0° |
| F22 | C19 | C15 | F21 | 120.9° | 119.9° |
| F22 | C19 | C15 | C14 | 141.0° | 150.1° |
| C17 | C18 | C15 | H10 | 180.0° | 179.7° |
| C18 | C17 | C16 | H9 | 180.0° | 179.9° |
| C17 | C18 | C15 | C19 | 179.6° | 179.7° |
| C17 | C18 | C15 | C14 | 0.1° | 0.3° |
| C18 | C17 | C16 | C13 | 1.3° | 0.1° |
| C18 | C17 | C16 | H7 | 178.7° | 180.0° |
| C15 | C18 | C17 | C16 | 0.2° | 0.4° |
| C18 | C15 | C19 | C14 | 179.7° | 180.0° |
| C18 | C15 | C19 | F21 | 160.3° | 90.0° |
| C18 | C15 | C14 | C13 | 0.8° | 0.0° |
| C18 | C15 | C14 | H8 | 179.2° | 179.9° |
| C15 | C18 | C17 | H9 | 179.9° | 179.7° |
| C17 | C16 | C13 | H7 | 180.0° | 180.0° |
| C17 | C16 | C13 | C14 | 2.3° | 0.2° |
| C17 | C16 | C13 | O12 | 176.9° | 180.0° |
| C16 | C17 | C18 | H10 | 179.9° | 180.0° |
| C19 | C15 | C14 | C13 | 179.5° | 180.0° |
| C19 | C15 | C14 | H8 | 0.5° | 0.0° |
| C19 | C15 | C18 | H10 | 0.4° | 0.0° |
| F21 | C19 | C15 | C14 | 20.1° | 90.0° |
| C15 | C14 | C13 | C16 | 2.0° | 0.3° |
| C15 | C14 | C13 | H8 | 180.0° | 180.0° |
| C15 | C14 | C13 | O12 | 176.5° | 180.0° |
| C14 | C15 | C18 | H10 | 179.9° | 180.0° |
| C16 | C13 | C14 | O12 | 174.4° | 179.7° |
| C16 | C13 | O12 | C8 | 111.7° | 5.4° |
| C16 | C13 | C14 | H8 | 178.0° | 179.8° |
| C13 | C16 | C17 | H9 | 178.7° | 180.0° |
| C14 | C13 | O12 | C8 | 73.6° | 174.3° |
| C14 | C13 | C16 | H7 | 177.7° | 179.7° |
| C13 | O12 | C8 | C7 | 92.9° | 155.3° |
| C13 | O12 | C8 | C9 | 146.1° | 84.7° |
| C13 | O12 | C8 | H5 | 25.8° | 35.3° |
| O12 | C13 | C16 | H7 | 3.1° | 0.0° |
| O12 | C13 | C14 | H8 | 3.5° | 0.0° |
| O12 | C8 | C7 | C9 | 113.8° | 119.9° |
| O12 | C8 | C7 | H5 | 120.2° | 120.0° |
| O12 | C8 | C9 | H5 | 121.6° | 120.0° |
| O12 | C8 | C7 | C4 | 97.9° | 145.0° |
| O12 | C8 | C7 | C6 | 79.6° | 34.7° |
| O12 | C8 | C9 | O10 | 72.9° | 5.0° |
| O12 | C8 | C9 | O11 | 104.8° | 175.0° |
| C7 | C8 | C9 | H5 | 126.1° | 120.0° |
| C8 | C7 | C4 | C6 | 177.6° | 179.7° |
| C8 | C7 | C4 | C3 | 179.3° | 180.0° |
| C8 | C7 | C6 | C5 | 178.8° | 179.8° |
| C7 | C8 | C9 | O10 | 39.4° | 114.9° |
| C7 | C8 | C9 | O11 | 142.9° | 65.0° |
| C8 | C7 | C4 | H2 | 0.7° | 0.1° |
| C8 | C7 | C6 | H4 | 1.1° | 0.2° |
| C9 | C8 | C7 | C4 | 148.2° | 95.1° |
| C9 | C8 | C7 | C6 | 34.3° | 85.2° |
| C8 | C9 | O10 | O11 | 177.7° | 180.0° |
| C8 | C9 | O11 | H6 | 177.7° | 180.0° |
| C7 | C4 | C3 | H2 | 180.0° | 179.9° |
| C7 | C4 | C3 | C2 | 1.0° | 0.1° |
| C4 | C7 | C6 | C5 | 1.5° | 0.5° |
| C7 | C4 | C3 | H1 | 179.0° | 180.0° |
| C4 | C7 | C6 | H4 | 178.5° | 180.0° |
| C4 | C7 | C8 | H5 | 22.2° | 25.0° |
| C3 | C4 | C7 | C6 | 1.7° | 0.3° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | C5 | 0.0° | 0.0° |
| C4 | C3 | C2 | CL1 | 179.9° | 179.8° |
| C7 | C6 | C5 | H4 | 180.0° | 179.5° |
| C7 | C6 | C5 | C2 | 0.5° | 0.4° |
| C6 | C7 | C4 | H2 | 178.3° | 179.8° |
| C7 | C6 | C5 | H3 | 179.5° | 179.5° |
| C6 | C7 | C8 | H5 | 160.3° | 154.8° |
| C3 | C2 | C5 | C6 | 0.3° | 0.2° |
| C3 | C2 | C5 | CL1 | 179.9° | 179.8° |
| C2 | C3 | C4 | H2 | 179.0° | 180.0° |
| C3 | C2 | C5 | H3 | 179.7° | 179.7° |
| C6 | C5 | C2 | H3 | 180.0° | 179.9° |
| C6 | C5 | C2 | CL1 | 179.9° | 180.0° |
| C5 | C2 | C3 | H1 | 180.0° | 180.0° |
| C2 | C5 | C6 | H4 | 179.5° | 180.0° |
| CL1 | C2 | C3 | H1 | 0.1° | 0.2° |
| CL1 | C2 | C5 | H3 | 0.1° | 0.1° |
| O10 | C9 | C8 | H5 | 165.5° | 125.0° |
| O10 | C9 | O11 | H6 | 0.0° | 0.0° |
| O11 | C9 | C8 | H5 | 16.9° | 55.0° |
| H1 | C3 | C4 | H2 | 1.0° | 0.0° |
| H3 | C5 | C6 | H4 | 0.5° | 0.1° |
| H7 | C16 | C17 | H9 | 1.3° | 0.0° |
| H9 | C17 | C18 | H10 | 0.1° | 0.0° |
