FMF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | sing | 1.54Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.46Å | |
| C5 | O5 | sing | 1.43Å | 1.41Å | |
| C5 | H5 | sing | 1.10Å | 1.11Å | |
| C2 | F2 | sing | 1.37Å | 1.34Å | |
| C2 | C3 | sing | 1.52Å | 1.61Å | |
| C2 | C1 | sing | 1.52Å | 1.50Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C3 | O3 | sing | 1.42Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C3 | H3 | sing | 1.10Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.42Å | 1.35Å | |
| C4 | H4 | sing | 1.10Å | 1.12Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | O6 | sing | 1.42Å | 1.46Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O5 | C1 | sing | 1.42Å | 1.37Å | |
| C1 | F1 | sing | 1.36Å | 72.54Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C6 | 106.1° | 111.6° |
| C4 | C5 | O5 | 110.6° | 110.9° |
| C4 | C5 | H5 | 110.1° | 110.4° |
| C5 | C4 | C3 | 100.1° | 110.5° |
| C5 | C4 | O4 | 115.5° | 108.9° |
| C5 | C4 | H4 | 111.6° | 110.7° |
| C6 | C5 | O5 | 106.8° | 107.5° |
| C6 | C5 | H5 | 113.6° | 107.3° |
| C5 | C6 | O6 | 107.2° | 108.5° |
| C5 | C6 | H61 | 113.1° | 110.0° |
| C5 | C6 | H62 | 113.1° | 110.0° |
| O5 | C5 | H5 | 109.4° | 109.0° |
| C5 | O5 | C1 | 122.0° | 112.3° |
| F2 | C2 | C3 | 111.8° | 108.3° |
| F2 | C2 | C1 | 110.4° | 107.6° |
| F2 | C2 | H2 | 109.2° | 106.5° |
| C3 | C2 | C1 | 114.5° | 110.5° |
| C3 | C2 | H2 | 104.4° | 111.9° |
| C2 | C3 | O3 | 106.4° | 108.4° |
| C2 | C3 | C4 | 119.3° | 110.4° |
| C2 | C3 | H3 | 105.1° | 110.4° |
| C1 | C2 | H2 | 106.1° | 111.8° |
| C2 | C1 | O5 | 110.8° | 110.7° |
| C2 | C1 | F1 | 158.8° | 108.8° |
| C2 | C1 | H1 | 70.3° | 112.1° |
| O3 | C3 | C4 | 110.0° | 110.6° |
| O3 | C3 | H3 | 115.4° | 107.0° |
| C3 | O3 | HO3 | 106.4° | 106.6° |
| C4 | C3 | H3 | 101.0° | 110.0° |
| C3 | C4 | O4 | 108.8° | 109.6° |
| C3 | C4 | H4 | 118.1° | 109.5° |
| O4 | C4 | H4 | 103.3° | 107.5° |
| C4 | O4 | HO4 | 115.5° | 106.6° |
| O6 | C6 | H61 | 113.0° | 109.3° |
| O6 | C6 | H62 | 113.0° | 109.3° |
| C6 | O6 | HO6 | 107.2° | 107.1° |
| H61 | C6 | H62 | 97.4° | 109.8° |
| O5 | C1 | F1 | 81.4° | 107.3° |
| O5 | C1 | H1 | 158.9° | 110.0° |
| F1 | C1 | H1 | 104.8° | 107.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C6 | O5 | 118.1° | 121.8° |
| C4 | C5 | C6 | H5 | 121.2° | 121.1° |
| C4 | C5 | O5 | H5 | 121.5° | 121.8° |
| C5 | C4 | C3 | C2 | 22.5° | 50.9° |
| C5 | C4 | C3 | O3 | 145.7° | 170.9° |
| C5 | C4 | C3 | O4 | 121.6° | 120.1° |
| C5 | C4 | C3 | H4 | 121.2° | 122.3° |
| C5 | C4 | C3 | H3 | 91.9° | 71.2° |
| C5 | C4 | O4 | H4 | 122.2° | 120.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 99.6° |
| C4 | C5 | C6 | O6 | 166.9° | 179.5° |
| C4 | C5 | C6 | H61 | 41.6° | 60.0° |
| C4 | C5 | C6 | H62 | 67.9° | 61.0° |
| C4 | C5 | O5 | C1 | 68.6° | 60.3° |
| C6 | C5 | O5 | H5 | 123.4° | 116.0° |
| C6 | C5 | C4 | C3 | 179.7° | 174.1° |
| C6 | C5 | C4 | O4 | 63.7° | 65.4° |
| C6 | C5 | C4 | H4 | 53.9° | 52.5° |
| C5 | C6 | O6 | H61 | 125.3° | 119.9° |
| C5 | C6 | O6 | H62 | 125.3° | 119.9° |
| C5 | C6 | H61 | H62 | 119.0° | 121.1° |
| C5 | C6 | O6 | HO6 | 180.0° | 72.8° |
| C6 | C5 | O5 | C1 | 176.4° | 177.4° |
| C5 | O5 | C1 | C2 | 13.8° | 61.9° |
| O5 | C5 | C4 | C3 | 64.1° | 54.3° |
| O5 | C5 | C4 | O4 | 179.2° | 174.8° |
| O5 | C5 | C4 | H4 | 61.6° | 67.3° |
| O5 | C5 | C6 | O6 | 75.1° | 57.7° |
| O5 | C5 | C6 | H61 | 159.6° | 61.7° |
| O5 | C5 | C6 | H62 | 50.2° | 177.2° |
| C5 | O5 | C1 | F1 | 175.8° | 179.4° |
| C5 | O5 | C1 | H1 | 75.2° | 62.5° |
| H5 | C5 | C4 | C3 | 56.9° | 66.7° |
| H5 | C5 | C4 | O4 | 59.7° | 53.8° |
| H5 | C5 | C4 | H4 | 177.3° | 171.8° |
| H5 | C5 | C6 | O6 | 45.7° | 59.4° |
| H5 | C5 | C6 | H61 | 79.6° | 178.9° |
| H5 | C5 | C6 | H62 | 170.9° | 60.1° |
| H5 | C5 | O5 | C1 | 52.9° | 61.4° |
| F2 | C2 | C3 | C1 | 126.5° | 117.6° |
| F2 | C2 | C3 | H2 | 117.9° | 117.1° |
| F2 | C2 | C1 | H2 | 118.1° | 116.6° |
| F2 | C2 | C3 | O3 | 23.8° | 56.1° |
| F2 | C2 | C3 | C4 | 148.7° | 65.2° |
| F2 | C2 | C3 | H3 | 99.0° | 173.0° |
| F2 | C2 | C1 | O5 | 155.6° | 60.6° |
| F2 | C2 | C1 | F1 | 33.1° | 57.1° |
| F2 | C2 | C1 | H1 | 46.8° | 176.2° |
| C3 | C2 | C1 | H2 | 114.6° | 125.3° |
| C2 | C3 | O3 | C4 | 130.5° | 121.2° |
| C2 | C3 | O3 | H3 | 116.1° | 119.0° |
| C2 | C3 | C4 | H3 | 114.4° | 122.0° |
| C2 | C3 | O3 | HO3 | 179.9° | 25.5° |
| C2 | C3 | C4 | O4 | 144.1° | 170.9° |
| C2 | C3 | C4 | H4 | 98.7° | 71.4° |
| C3 | C2 | C1 | O5 | 28.3° | 57.4° |
| C3 | C2 | C1 | F1 | 94.2° | 175.1° |
| C3 | C2 | C1 | H1 | 174.1° | 65.8° |
| C1 | C2 | C3 | O3 | 102.7° | 173.8° |
| C1 | C2 | C3 | C4 | 22.2° | 52.4° |
| C1 | C2 | C3 | H3 | 134.5° | 69.4° |
| C2 | C1 | O5 | F1 | 162.0° | 118.6° |
| C2 | C1 | O5 | H1 | 89.1° | 124.4° |
| C2 | C1 | F1 | H1 | 73.5° | 121.8° |
| H2 | C2 | C3 | O3 | 141.7° | 61.0° |
| H2 | C2 | C3 | C4 | 93.3° | 177.7° |
| H2 | C2 | C3 | H3 | 18.9° | 55.9° |
| H2 | C2 | C1 | O5 | 86.3° | 177.3° |
| H2 | C2 | C1 | F1 | 151.2° | 59.6° |
| H2 | C2 | C1 | H1 | 71.3° | 59.6° |
| O3 | C3 | C4 | H3 | 122.4° | 117.9° |
| O3 | C3 | C4 | O4 | 92.7° | 69.0° |
| O3 | C3 | C4 | H4 | 24.5° | 48.6° |
| C4 | C3 | O3 | HO3 | 49.4° | 95.7° |
| C3 | C4 | O4 | H4 | 126.2° | 119.0° |
| C3 | C4 | O4 | HO4 | 68.5° | 139.4° |
| H3 | C3 | O3 | HO3 | 64.0° | 144.5° |
| H3 | C3 | C4 | O4 | 29.7° | 48.9° |
| H3 | C3 | C4 | H4 | 146.9° | 166.6° |
| H4 | C4 | O4 | HO4 | 57.8° | 20.4° |
| O6 | C6 | H61 | H62 | 118.9° | 119.8° |
| H61 | C6 | O6 | HO6 | 54.7° | 47.1° |
| H62 | C6 | O6 | HO6 | 54.7° | 167.3° |
| O5 | C1 | F1 | H1 | 159.4° | 118.4° |
