M0F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C10 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.48Å | 1.49Å | |
| C10 | O1 | sing | 1.35Å | 1.31Å | |
| C12 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C13 | doub | 1.34Å | 1.34Å | Aromatic |
| C4 | C3 | sing | 1.47Å | 1.44Å | Aromatic |
| C13 | O3 | sing | 1.34Å | 1.37Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| O3 | C14 | sing | 1.35Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.37Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.37Å | Aromatic |
| C1 | C | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C | sing | 1.38Å | 1.39Å | Aromatic |
| C | O | sing | 1.36Å | 1.37Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| O | H4 | sing | 0.97Å | 0.95Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C10 | C9 | 120.7° | 120.0° |
| O2 | C10 | O1 | 123.4° | 120.0° |
| C12 | C11 | C9 | 120.7° | 119.9° |
| C11 | C12 | C6 | 121.1° | 120.1° |
| C12 | C11 | H6 | 119.6° | 120.1° |
| C11 | C12 | H7 | 119.4° | 119.9° |
| C11 | C9 | C10 | 119.8° | 120.2° |
| C11 | C9 | C8 | 118.4° | 119.7° |
| C9 | C11 | H6 | 119.7° | 120.1° |
| C9 | C10 | O1 | 115.9° | 120.0° |
| C10 | C9 | C8 | 121.8° | 120.1° |
| C10 | O1 | H12 | 109.5° | 117.0° |
| C12 | C6 | C5 | 120.1° | 119.9° |
| C12 | C6 | C7 | 118.2° | 120.3° |
| C6 | C12 | H7 | 119.4° | 119.9° |
| C9 | C8 | C7 | 120.6° | 119.9° |
| C9 | C8 | H11 | 119.7° | 120.1° |
| C5 | C6 | C7 | 121.1° | 119.8° |
| C6 | C5 | C4 | 120.4° | 109.4° |
| C6 | C5 | H1 | 106.6° | 109.5° |
| C6 | C5 | H2 | 106.7° | 109.5° |
| C6 | C7 | C8 | 121.0° | 120.1° |
| C6 | C7 | H10 | 119.5° | 119.9° |
| C8 | C7 | H10 | 119.5° | 119.9° |
| C7 | C8 | H11 | 119.7° | 120.1° |
| C5 | C4 | C13 | 124.1° | 126.9° |
| C5 | C4 | C3 | 130.6° | 126.9° |
| C4 | C5 | H1 | 106.7° | 109.5° |
| C4 | C5 | H2 | 106.7° | 109.5° |
| C13 | C4 | C3 | 105.2° | 106.2° |
| C4 | C13 | O3 | 113.2° | 110.2° |
| C4 | C13 | H8 | 123.4° | 124.9° |
| C4 | C3 | C2 | 135.7° | 134.3° |
| C4 | C3 | C14 | 106.3° | 105.5° |
| C13 | O3 | C14 | 105.1° | 110.9° |
| O3 | C13 | H8 | 123.4° | 124.9° |
| C2 | C3 | C14 | 118.1° | 120.3° |
| C3 | C2 | C1 | 119.9° | 119.8° |
| C3 | C2 | H3 | 120.1° | 120.2° |
| C3 | C14 | O3 | 110.3° | 107.3° |
| C3 | C14 | C15 | 123.7° | 119.3° |
| O3 | C14 | C15 | 126.0° | 133.4° |
| C2 | C1 | C | 120.3° | 120.4° |
| C1 | C2 | H3 | 120.1° | 120.1° |
| C2 | C1 | H5 | 119.8° | 119.9° |
| C14 | C15 | C | 117.5° | 119.7° |
| C14 | C15 | H9 | 121.2° | 120.1° |
| C1 | C | C15 | 120.5° | 120.6° |
| C1 | C | O | 120.3° | 119.7° |
| C | C1 | H5 | 119.9° | 119.8° |
| C15 | C | O | 119.2° | 119.7° |
| C | C15 | H9 | 121.3° | 120.2° |
| C | O | H4 | 109.5° | 114.0° |
| H1 | C5 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C10 | C9 | C11 | 0.7° | 0.0° |
| O2 | C10 | C9 | O1 | 179.5° | 180.0° |
| O2 | C10 | C9 | C8 | 177.1° | 179.8° |
| O2 | C10 | O1 | H12 | 0.0° | 0.0° |
| C12 | C11 | C9 | H6 | 180.0° | 180.0° |
| C12 | C11 | C9 | C10 | 176.2° | 180.0° |
| C11 | C12 | C6 | H7 | 180.0° | 180.0° |
| C12 | C11 | C9 | C8 | 1.6° | 0.2° |
| C11 | C12 | C6 | C5 | 167.3° | 180.0° |
| C11 | C12 | C6 | C7 | 3.1° | 0.3° |
| C11 | C9 | C10 | C8 | 177.7° | 179.8° |
| C11 | C9 | C10 | O1 | 179.9° | 180.0° |
| C9 | C11 | C12 | C6 | 1.0° | 0.0° |
| C11 | C9 | C8 | C7 | 2.0° | 0.2° |
| C9 | C11 | C12 | H7 | 179.0° | 180.0° |
| C11 | C9 | C8 | H11 | 178.0° | 179.7° |
| C10 | C9 | C8 | C7 | 175.8° | 180.0° |
| C10 | C9 | C11 | H6 | 3.8° | 0.0° |
| C10 | C9 | C8 | H11 | 4.2° | 0.1° |
| C9 | C10 | O1 | H12 | 179.5° | 180.0° |
| O1 | C10 | C9 | C8 | 2.4° | 0.2° |
| C12 | C6 | C5 | C7 | 170.2° | 179.7° |
| C12 | C6 | C7 | C8 | 2.7° | 0.3° |
| C12 | C6 | C5 | C4 | 115.7° | 89.7° |
| C12 | C6 | C5 | H1 | 122.8° | 30.2° |
| C12 | C6 | C5 | H2 | 5.9° | 150.3° |
| C6 | C12 | C11 | H6 | 179.0° | 180.0° |
| C12 | C6 | C7 | H10 | 177.3° | 179.7° |
| C9 | C8 | C7 | C6 | 0.1° | 0.1° |
| C9 | C8 | C7 | H11 | 180.0° | 179.9° |
| C8 | C9 | C11 | H6 | 178.4° | 179.8° |
| C9 | C8 | C7 | H10 | 179.8° | 179.9° |
| C5 | C6 | C7 | C8 | 167.6° | 180.0° |
| C6 | C5 | C4 | H1 | 121.5° | 119.9° |
| C6 | C5 | C4 | H2 | 121.5° | 120.0° |
| C6 | C5 | C4 | C13 | 163.7° | 95.0° |
| C6 | C5 | C4 | C3 | 21.0° | 84.7° |
| C6 | C5 | H1 | H2 | 115.1° | 120.1° |
| C5 | C6 | C12 | H7 | 12.7° | 0.0° |
| C5 | C6 | C7 | H10 | 12.4° | 0.0° |
| C6 | C7 | C8 | H10 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 74.2° | 90.0° |
| C7 | C6 | C5 | H1 | 47.3° | 150.0° |
| C7 | C6 | C5 | H2 | 164.3° | 30.0° |
| C7 | C6 | C12 | H7 | 176.9° | 179.7° |
| C6 | C7 | C8 | H11 | 179.8° | 180.0° |
| C5 | C4 | C13 | C3 | 176.3° | 179.8° |
| C5 | C4 | C13 | O3 | 175.5° | 180.0° |
| C5 | C4 | C3 | C2 | 4.3° | 0.1° |
| C5 | C4 | C3 | C14 | 175.1° | 180.0° |
| C4 | C5 | H1 | H2 | 115.1° | 120.0° |
| C5 | C4 | C13 | H8 | 4.5° | 0.0° |
| C4 | C13 | O3 | H8 | 180.0° | 180.0° |
| C13 | C4 | C3 | C2 | 179.8° | 179.7° |
| C13 | C4 | C3 | C14 | 0.9° | 0.2° |
| C4 | C13 | O3 | C14 | 0.4° | 0.1° |
| C13 | C4 | C5 | H1 | 74.8° | 145.0° |
| C13 | C4 | C5 | H2 | 42.1° | 25.0° |
| C3 | C4 | C13 | O3 | 0.9° | 0.2° |
| C4 | C3 | C2 | C14 | 179.3° | 179.9° |
| C4 | C3 | C14 | O3 | 0.7° | 0.1° |
| C4 | C3 | C2 | C1 | 178.8° | 179.9° |
| C4 | C3 | C14 | C15 | 178.9° | 179.9° |
| C3 | C4 | C5 | H1 | 100.5° | 35.2° |
| C3 | C4 | C5 | H2 | 142.6° | 155.2° |
| C4 | C3 | C2 | H3 | 1.2° | 0.1° |
| C3 | C4 | C13 | H8 | 179.2° | 179.8° |
| C13 | O3 | C14 | C3 | 0.2° | 0.0° |
| C13 | O3 | C14 | C15 | 179.4° | 179.8° |
| C2 | C3 | C14 | O3 | 179.8° | 179.8° |
| C3 | C2 | C1 | H3 | 180.0° | 180.0° |
| C2 | C3 | C14 | C15 | 0.5° | 0.0° |
| C3 | C2 | C1 | C | 0.0° | 0.0° |
| C3 | C2 | C1 | H5 | 180.0° | 180.0° |
| C3 | C14 | O3 | C15 | 179.6° | 179.7° |
| C14 | C3 | C2 | C1 | 0.4° | 0.0° |
| C3 | C14 | C15 | C | 0.2° | 0.0° |
| C14 | C3 | C2 | H3 | 179.6° | 180.0° |
| C3 | C14 | C15 | H9 | 179.8° | 180.0° |
| O3 | C14 | C15 | C | 179.8° | 179.7° |
| C14 | O3 | C13 | H8 | 179.6° | 179.9° |
| O3 | C14 | C15 | H9 | 0.2° | 0.3° |
| C2 | C1 | C | H5 | 180.0° | 180.0° |
| C2 | C1 | C | C15 | 0.3° | 0.0° |
| C2 | C1 | C | O | 179.5° | 180.0° |
| C14 | C15 | C | C1 | 0.2° | 0.0° |
| C14 | C15 | C | H9 | 180.0° | 179.9° |
| C14 | C15 | C | O | 179.6° | 180.0° |
| C1 | C | C15 | O | 179.8° | 180.0° |
| C | C1 | C2 | H3 | 180.0° | 180.0° |
| C1 | C | O | H4 | 180.0° | 90.0° |
| C1 | C | C15 | H9 | 179.8° | 180.0° |
| C15 | C | O | H4 | 0.2° | 90.0° |
| C15 | C | C1 | H5 | 179.7° | 180.0° |
| O | C | C1 | H5 | 0.5° | 0.0° |
| O | C | C15 | H9 | 0.4° | 0.0° |
| H3 | C2 | C1 | H5 | 0.0° | 0.0° |
| H6 | C11 | C12 | H7 | 1.0° | 0.0° |
| H10 | C7 | C8 | H11 | 0.2° | 0.0° |
