FFX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.40Å | 1.37Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | F5 | sing | 1.40Å | 1.38Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | C2 | 122.0° | 109.5° |
| F1 | C1 | O5 | 104.6° | 109.5° |
| F1 | C1 | H1 | 105.3° | 109.5° |
| C2 | C1 | O5 | 112.2° | 109.4° |
| C1 | C2 | O2 | 110.3° | 109.5° |
| C1 | C2 | C3 | 111.1° | 109.2° |
| C2 | C1 | H1 | 96.4° | 109.5° |
| C1 | C2 | H2 | 108.4° | 109.6° |
| C1 | O5 | C5 | 114.7° | 114.1° |
| O5 | C1 | H1 | 116.7° | 109.4° |
| O2 | C2 | C3 | 111.0° | 109.5° |
| O2 | C2 | H2 | 108.4° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | O3 | 112.2° | 109.6° |
| C2 | C3 | C4 | 108.8° | 109.0° |
| C3 | C2 | H2 | 107.6° | 109.6° |
| C2 | C3 | H3 | 107.5° | 109.6° |
| O3 | C3 | C4 | 107.6° | 109.6° |
| O3 | C3 | H3 | 108.7° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | O4 | 107.6° | 109.5° |
| C3 | C4 | C5 | 111.7° | 109.2° |
| C4 | C3 | H3 | 112.1° | 109.6° |
| C3 | C4 | H4 | 110.0° | 109.5° |
| O4 | C4 | C5 | 111.7° | 109.5° |
| O4 | C4 | H4 | 110.0° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | F5 | 108.9° | 109.5° |
| C4 | C5 | O5 | 110.8° | 109.4° |
| C5 | C4 | H4 | 105.8° | 109.6° |
| C4 | C5 | H5 | 109.1° | 109.5° |
| F5 | C5 | O5 | 109.9° | 109.5° |
| F5 | C5 | H5 | 110.0° | 109.5° |
| O5 | C5 | H5 | 108.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | C2 | O5 | 125.2° | 120.0° |
| F1 | C1 | C2 | H1 | 112.6° | 120.0° |
| F1 | C1 | O5 | H1 | 115.9° | 120.0° |
| F1 | C1 | C2 | O2 | 131.8° | 62.5° |
| F1 | C1 | C2 | C3 | 104.6° | 177.6° |
| F1 | C1 | O5 | C5 | 71.0° | 178.8° |
| F1 | C1 | C2 | H2 | 13.4° | 57.6° |
| C2 | C1 | O5 | H1 | 109.9° | 120.0° |
| C1 | C2 | O2 | C3 | 123.5° | 119.7° |
| C1 | C2 | O2 | H2 | 118.5° | 120.2° |
| C1 | C2 | C3 | H2 | 118.5° | 120.0° |
| C1 | C2 | C3 | O3 | 157.2° | 176.9° |
| C1 | C2 | C3 | C4 | 38.3° | 57.0° |
| C2 | C1 | O5 | C5 | 63.2° | 61.1° |
| C1 | C2 | O2 | HO2 | 165.0° | 60.0° |
| C1 | C2 | C3 | H3 | 83.3° | 62.9° |
| O5 | C1 | C2 | O2 | 103.0° | 177.5° |
| O5 | C1 | C2 | C3 | 20.5° | 57.6° |
| C1 | O5 | C5 | C4 | 37.8° | 61.1° |
| C1 | O5 | C5 | F5 | 82.7° | 178.9° |
| O5 | C1 | C2 | H2 | 138.5° | 62.4° |
| C1 | O5 | C5 | H5 | 157.2° | 58.9° |
| O2 | C2 | C3 | H2 | 118.4° | 120.1° |
| O2 | C2 | C3 | O3 | 79.7° | 63.2° |
| O2 | C2 | C3 | C4 | 161.4° | 176.9° |
| O2 | C2 | C1 | H1 | 19.3° | 57.5° |
| O2 | C2 | C3 | H3 | 39.8° | 57.0° |
| C2 | C3 | O3 | C4 | 119.7° | 119.5° |
| C2 | C3 | O3 | H3 | 118.7° | 120.2° |
| C2 | C3 | C4 | H3 | 118.7° | 119.9° |
| C2 | C3 | C4 | O4 | 173.7° | 176.9° |
| C2 | C3 | C4 | C5 | 63.4° | 57.0° |
| C3 | C2 | C1 | H1 | 142.8° | 62.3° |
| C3 | C2 | O2 | HO2 | 71.4° | 179.7° |
| C2 | C3 | O3 | HO3 | 144.6° | 180.0° |
| C2 | C3 | C4 | H4 | 53.9° | 63.0° |
| O3 | C3 | C4 | H3 | 119.5° | 120.2° |
| O3 | C3 | C4 | O4 | 51.9° | 63.2° |
| O3 | C3 | C4 | C5 | 174.9° | 176.9° |
| O3 | C3 | C2 | H2 | 38.8° | 56.9° |
| O3 | C3 | C4 | H4 | 67.9° | 56.9° |
| C3 | C4 | O4 | C5 | 123.0° | 119.7° |
| C3 | C4 | O4 | H4 | 119.9° | 120.1° |
| C3 | C4 | C5 | H4 | 119.7° | 120.0° |
| C3 | C4 | C5 | F5 | 145.9° | 177.6° |
| C3 | C4 | C5 | O5 | 24.9° | 57.6° |
| C4 | C3 | C2 | H2 | 80.1° | 63.0° |
| C4 | C3 | O3 | HO3 | 24.9° | 60.4° |
| C3 | C4 | O4 | HO4 | 133.4° | 180.0° |
| C3 | C4 | C5 | H5 | 94.0° | 62.4° |
| O4 | C4 | C5 | H4 | 119.7° | 120.1° |
| O4 | C4 | C5 | F5 | 93.5° | 62.5° |
| O4 | C4 | C5 | O5 | 145.5° | 177.5° |
| O4 | C4 | C3 | H3 | 67.5° | 57.0° |
| O4 | C4 | C5 | H5 | 26.6° | 57.5° |
| C4 | C5 | F5 | O5 | 121.6° | 119.9° |
| C4 | C5 | F5 | H5 | 119.5° | 120.0° |
| C4 | C5 | O5 | H5 | 119.5° | 120.0° |
| C5 | C4 | C3 | H3 | 55.4° | 62.9° |
| C5 | C4 | O4 | HO4 | 10.5° | 60.3° |
| F5 | C5 | O5 | H5 | 120.1° | 120.0° |
| F5 | C5 | C4 | H4 | 26.2° | 57.6° |
| C5 | O5 | C1 | H1 | 173.1° | 58.9° |
| O5 | C5 | C4 | H4 | 94.8° | 62.4° |
| H1 | C1 | C2 | H2 | 99.2° | 177.7° |
| H2 | C2 | O2 | HO2 | 46.5° | 60.1° |
| H2 | C2 | C3 | H3 | 158.3° | 177.1° |
| H3 | C3 | O3 | HO3 | 96.7° | 59.8° |
| H3 | C3 | C4 | H4 | 172.6° | 177.1° |
| H4 | C4 | O4 | HO4 | 106.7° | 59.9° |
| H4 | C4 | C5 | H5 | 146.3° | 177.7° |
