MFZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.42Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.47Å | 1.47Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | C4 | trip | 1.17Å | 1.20Å | |
| C4 | C5 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | doub | 1.36Å | 1.38Å | Aromatic |
| C5 | C16 | sing | 1.47Å | 1.42Å | Aromatic |
| C6 | N7 | sing | 1.37Å | 1.35Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N7 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C16 | sing | 1.40Å | 1.43Å | Aromatic |
| C10 | CL1 | sing | 1.74Å | 1.74Å | |
| C10 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | CL2 | sing | 1.74Å | 1.74Å | |
| C14 | C16 | doub | 1.39Å | 1.43Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | HO1 | 109.5° | 114.0° |
| O1 | C2 | C3 | 112.3° | 109.5° |
| O1 | C2 | H2 | 108.8° | 109.5° |
| O1 | C2 | H2A | 108.8° | 109.5° |
| C3 | C2 | H2 | 108.8° | 109.5° |
| C3 | C2 | H2A | 108.7° | 109.5° |
| C2 | C3 | C4 | 179.8° | 180.0° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| C3 | C4 | C5 | 179.7° | 180.0° |
| C4 | C5 | C6 | 118.3° | 126.7° |
| C4 | C5 | C16 | 132.5° | 126.7° |
| C6 | C5 | C16 | 109.2° | 106.6° |
| C5 | C6 | N7 | 108.5° | 109.7° |
| C5 | C6 | H6 | 125.8° | 125.1° |
| C5 | C16 | C9 | 104.4° | 106.0° |
| C5 | C16 | C14 | 139.1° | 133.9° |
| N7 | C6 | H6 | 125.8° | 125.2° |
| C6 | N7 | C9 | 109.8° | 110.2° |
| C6 | N7 | HN7 | 125.1° | 124.9° |
| C9 | N7 | HN7 | 125.1° | 124.9° |
| N7 | C9 | C10 | 131.3° | 133.2° |
| N7 | C9 | C16 | 108.1° | 107.5° |
| C10 | C9 | C16 | 120.5° | 119.4° |
| C9 | C10 | CL1 | 119.6° | 120.0° |
| C9 | C10 | C12 | 121.1° | 120.0° |
| C9 | C16 | C14 | 116.4° | 120.0° |
| CL1 | C10 | C12 | 119.2° | 120.0° |
| C10 | C12 | C13 | 119.7° | 120.6° |
| C10 | C12 | H12 | 120.2° | 119.7° |
| C13 | C12 | H12 | 120.1° | 119.7° |
| C12 | C13 | C14 | 120.5° | 120.3° |
| C12 | C13 | H13 | 119.7° | 119.8° |
| C14 | C13 | H13 | 119.7° | 119.8° |
| C13 | C14 | CL2 | 117.6° | 120.1° |
| C13 | C14 | C16 | 121.6° | 119.7° |
| CL2 | C14 | C16 | 120.7° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | H2 | 120.4° | 120.0° |
| O1 | C2 | C3 | H2A | 120.4° | 120.0° |
| O1 | C2 | H2 | H2A | 118.7° | 120.0° |
| O1 | C2 | C3 | C4 | 41.0° | 0.0° |
| HO1 | O1 | C2 | C3 | 180.0° | 180.0° |
| HO1 | O1 | C2 | H2 | 59.6° | 60.0° |
| HO1 | O1 | C2 | H2A | 59.6° | 60.0° |
| C3 | C2 | H2 | H2A | 118.7° | 120.0° |
| C2 | C3 | C4 | C5 | 16.2° | 100.6° |
| H2 | C2 | C3 | C4 | 161.4° | 120.0° |
| H2A | C2 | C3 | C4 | 79.5° | 120.0° |
| C3 | C4 | C5 | C6 | 88.1° | 79.4° |
| C3 | C4 | C5 | C16 | 92.3° | 100.9° |
| C4 | C5 | C6 | C16 | 179.6° | 179.7° |
| C4 | C5 | C6 | N7 | 179.6° | 180.0° |
| C4 | C5 | C6 | H6 | 0.5° | 0.0° |
| C4 | C5 | C16 | C9 | 179.5° | 179.9° |
| C4 | C5 | C16 | C14 | 1.4° | 0.8° |
| C5 | C6 | N7 | H6 | 180.0° | 180.0° |
| C5 | C6 | N7 | C9 | 0.0° | 0.0° |
| C5 | C6 | N7 | HN7 | 180.0° | 180.0° |
| C6 | C5 | C16 | C9 | 0.1° | 0.4° |
| C6 | C5 | C16 | C14 | 179.0° | 179.5° |
| C16 | C5 | C6 | N7 | 0.1° | 0.2° |
| C16 | C5 | C6 | H6 | 179.9° | 179.8° |
| C5 | C16 | C9 | N7 | 0.1° | 0.4° |
| C5 | C16 | C9 | C10 | 178.7° | 179.8° |
| C5 | C16 | C9 | C14 | 179.4° | 179.3° |
| C5 | C16 | C14 | C13 | 179.0° | 179.6° |
| C5 | C16 | C14 | CL2 | 1.1° | 0.7° |
| C6 | N7 | C9 | HN7 | 180.0° | 180.0° |
| C6 | N7 | C9 | C10 | 178.5° | 180.0° |
| C6 | N7 | C9 | C16 | 0.1° | 0.3° |
| H6 | C6 | N7 | C9 | 180.0° | 180.0° |
| H6 | C6 | N7 | HN7 | 0.1° | 0.0° |
| N7 | C9 | C10 | C16 | 178.3° | 179.7° |
| N7 | C9 | C10 | CL1 | 0.2° | 0.0° |
| N7 | C9 | C10 | C12 | 179.2° | 180.0° |
| N7 | C9 | C16 | C14 | 179.3° | 179.7° |
| HN7 | N7 | C9 | C10 | 1.5° | 0.0° |
| HN7 | N7 | C9 | C16 | 179.9° | 179.7° |
| C9 | C10 | CL1 | C12 | 179.4° | 179.9° |
| C9 | C10 | C12 | C13 | 0.7° | 0.1° |
| C9 | C10 | C12 | H12 | 179.3° | 179.9° |
| C10 | C9 | C16 | C14 | 0.7° | 0.6° |
| C16 | C9 | C10 | CL1 | 178.5° | 179.7° |
| C16 | C9 | C10 | C12 | 0.9° | 0.2° |
| C9 | C16 | C14 | C13 | 0.1° | 0.6° |
| C9 | C16 | C14 | CL2 | 179.8° | 179.8° |
| CL1 | C10 | C12 | C13 | 178.7° | 180.0° |
| CL1 | C10 | C12 | H12 | 1.3° | 0.1° |
| C10 | C12 | C13 | H12 | 180.0° | 179.8° |
| C10 | C12 | C13 | C14 | 0.2° | 0.1° |
| C10 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | CL2 | 179.9° | 179.9° |
| C12 | C13 | C14 | C16 | 0.1° | 0.2° |
| H12 | C12 | C13 | C14 | 179.8° | 179.9° |
| H12 | C12 | C13 | H13 | 0.1° | 0.1° |
| C13 | C14 | CL2 | C16 | 180.0° | 179.7° |
| H13 | C13 | C14 | CL2 | 0.1° | 0.0° |
| H13 | C13 | C14 | C16 | 179.9° | 179.7° |
