LAF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | sing | 1.51Å | 1.54Å | |
| C4 | C3 | sing | 1.51Å | 1.54Å | |
| C4 | O4 | doub | 1.21Å | 1.12Å | |
| C5 | F | sing | 1.40Å | 1.37Å | |
| C5 | H5C1 | sing | 1.09Å | 1.11Å | |
| C5 | H5C2 | sing | 1.09Å | 1.12Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | H3C1 | sing | 1.09Å | 1.12Å | |
| C3 | H3C2 | sing | 1.09Å | 1.11Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | H2C1 | sing | 1.09Å | 1.11Å | |
| C2 | H2C2 | sing | 1.09Å | 1.12Å | |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | OH1 | sing | 1.34Å | 1.25Å | |
| OH1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 119.2° | 120.1° |
| C5 | C4 | O4 | 130.5° | 120.0° |
| C4 | C5 | F | 122.3° | 109.5° |
| C4 | C5 | H5C1 | 107.7° | 109.4° |
| C4 | C5 | H5C2 | 107.7° | 109.4° |
| C3 | C4 | O4 | 110.3° | 119.9° |
| C4 | C3 | C2 | 112.0° | 109.6° |
| C4 | C3 | H3C1 | 111.3° | 109.5° |
| C4 | C3 | H3C2 | 111.3° | 109.5° |
| F | C5 | H5C1 | 107.7° | 109.5° |
| F | C5 | H5C2 | 107.6° | 109.5° |
| H5C1 | C5 | H5C2 | 102.2° | 109.5° |
| C2 | C3 | H3C1 | 111.3° | 109.4° |
| C2 | C3 | H3C2 | 111.3° | 109.4° |
| C3 | C2 | C1 | 112.7° | 109.5° |
| C3 | C2 | H2C1 | 111.0° | 109.4° |
| C3 | C2 | H2C2 | 111.0° | 109.4° |
| H3C1 | C3 | H3C2 | 99.0° | 109.4° |
| C1 | C2 | H2C1 | 111.0° | 109.5° |
| C1 | C2 | H2C2 | 111.0° | 109.5° |
| C2 | C1 | O1 | 116.1° | 120.0° |
| C2 | C1 | OH1 | 118.7° | 120.0° |
| H2C1 | C2 | H2C2 | 99.3° | 109.5° |
| O1 | C1 | OH1 | 125.3° | 120.0° |
| C1 | OH1 | H1 | 118.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | O4 | 179.8° | 180.0° |
| C4 | C5 | F | H5C1 | 125.3° | 120.0° |
| C4 | C5 | F | H5C2 | 125.2° | 120.0° |
| C4 | C5 | H5C1 | H5C2 | 113.2° | 119.9° |
| C5 | C4 | C3 | C2 | 179.7° | 180.0° |
| C5 | C4 | C3 | H3C1 | 55.0° | 60.0° |
| C5 | C4 | C3 | H3C2 | 54.4° | 60.0° |
| C3 | C4 | C5 | F | 160.6° | 180.0° |
| C3 | C4 | C5 | H5C1 | 74.1° | 60.0° |
| C3 | C4 | C5 | H5C2 | 35.4° | 60.0° |
| C4 | C3 | C2 | H3C1 | 125.3° | 120.0° |
| C4 | C3 | C2 | H3C2 | 125.3° | 120.0° |
| C4 | C3 | H3C1 | H3C2 | 117.2° | 120.0° |
| C4 | C3 | C2 | C1 | 106.0° | 180.0° |
| C4 | C3 | C2 | H2C1 | 128.7° | 60.0° |
| C4 | C3 | C2 | H2C2 | 19.3° | 60.0° |
| O4 | C4 | C5 | F | 19.6° | 0.0° |
| O4 | C4 | C5 | H5C1 | 105.7° | 120.0° |
| O4 | C4 | C5 | H5C2 | 144.8° | 120.0° |
| O4 | C4 | C3 | C2 | 0.1° | 0.0° |
| O4 | C4 | C3 | H3C1 | 125.1° | 120.0° |
| O4 | C4 | C3 | H3C2 | 125.4° | 120.0° |
| F | C5 | H5C1 | H5C2 | 113.2° | 120.1° |
| C2 | C3 | H3C1 | H3C2 | 117.2° | 119.9° |
| C3 | C2 | C1 | H2C1 | 125.2° | 120.0° |
| C3 | C2 | C1 | H2C2 | 125.2° | 120.0° |
| C3 | C2 | H2C1 | H2C2 | 116.9° | 119.9° |
| C3 | C2 | C1 | O1 | 47.9° | 0.0° |
| C3 | C2 | C1 | OH1 | 132.0° | 180.0° |
| H3C1 | C3 | C2 | C1 | 19.3° | 60.0° |
| H3C1 | C3 | C2 | H2C1 | 106.0° | 180.0° |
| H3C1 | C3 | C2 | H2C2 | 144.5° | 60.1° |
| H3C2 | C3 | C2 | C1 | 128.7° | 60.0° |
| H3C2 | C3 | C2 | H2C1 | 3.5° | 60.1° |
| H3C2 | C3 | C2 | H2C2 | 106.0° | 180.0° |
| C1 | C2 | H2C1 | H2C2 | 116.9° | 120.1° |
| C2 | C1 | O1 | OH1 | 180.0° | 180.0° |
| C2 | C1 | OH1 | H1 | 180.0° | 180.0° |
| H2C1 | C2 | C1 | O1 | 77.3° | 120.0° |
| H2C1 | C2 | C1 | OH1 | 102.7° | 60.0° |
| H2C2 | C2 | C1 | O1 | 173.2° | 120.0° |
| H2C2 | C2 | C1 | OH1 | 6.8° | 60.0° |
| O1 | C1 | OH1 | H1 | 0.1° | 0.0° |
