MAF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | O1 | sing | 1.43Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| C2 | F2 | sing | 1.40Å | 1.38Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O5 | 109.5° | 109.8° |
| C2 | C1 | O1 | 118.8° | 109.3° |
| C2 | C1 | H1 | 112.2° | 109.5° |
| C1 | C2 | F2 | 98.1° | 109.5° |
| C1 | C2 | C3 | 119.3° | 109.0° |
| C1 | C2 | H2 | 112.4° | 109.6° |
| O5 | C1 | O1 | 108.9° | 109.4° |
| O5 | C1 | H1 | 112.2° | 109.5° |
| C1 | O5 | C5 | 118.2° | 107.7° |
| O1 | C1 | H1 | 6.7° | 109.3° |
| C1 | O1 | HO1 | 118.9° | 106.8° |
| F2 | C2 | C3 | 100.4° | 109.6° |
| F2 | C2 | H2 | 112.4° | 109.5° |
| C3 | C2 | H2 | 112.4° | 109.6° |
| C2 | C3 | O3 | 106.7° | 109.6° |
| C2 | C3 | C4 | 118.6° | 108.7° |
| C2 | C3 | H3 | 108.5° | 109.6° |
| O3 | C3 | C4 | 105.5° | 109.7° |
| O3 | C3 | H3 | 108.6° | 109.6° |
| C3 | O3 | HO3 | 106.7° | 106.8° |
| C4 | C3 | H3 | 108.6° | 109.6° |
| C3 | C4 | O4 | 113.4° | 109.6° |
| C3 | C4 | C5 | 109.4° | 109.0° |
| C3 | C4 | H4 | 109.8° | 109.5° |
| O4 | C4 | C5 | 104.6° | 109.6° |
| O4 | C4 | H4 | 109.8° | 109.5° |
| C4 | O4 | HO4 | 113.4° | 106.9° |
| C5 | C4 | H4 | 109.8° | 109.6° |
| C4 | C5 | O5 | 107.7° | 109.8° |
| C4 | C5 | C6 | 111.4° | 109.4° |
| C4 | C5 | H5 | 110.2° | 109.4° |
| O5 | C5 | C6 | 106.8° | 109.5° |
| O5 | C5 | H5 | 110.3° | 109.4° |
| C6 | C5 | H5 | 110.3° | 109.4° |
| C5 | C6 | O6 | 109.1° | 109.5° |
| C5 | C6 | H61 | 112.4° | 109.5° |
| C5 | C6 | H62 | 112.4° | 109.5° |
| O6 | C6 | H61 | 112.4° | 109.4° |
| O6 | C6 | H62 | 112.4° | 109.5° |
| C6 | O6 | HO6 | 109.1° | 106.9° |
| H61 | C6 | H62 | 98.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O5 | O1 | 131.4° | 120.0° |
| C2 | C1 | O5 | H1 | 125.3° | 120.2° |
| C2 | C1 | O1 | H1 | 5.4° | 119.8° |
| C1 | C2 | F2 | C3 | 122.0° | 119.6° |
| C1 | C2 | F2 | H2 | 118.3° | 120.2° |
| C1 | C2 | C3 | H2 | 134.8° | 120.0° |
| C1 | C2 | C3 | O3 | 106.0° | 173.6° |
| C1 | C2 | C3 | C4 | 12.8° | 53.7° |
| C1 | C2 | C3 | H3 | 137.2° | 66.1° |
| C2 | C1 | O5 | C5 | 45.3° | 67.5° |
| C2 | C1 | O1 | HO1 | 180.0° | 179.7° |
| O5 | C1 | O1 | H1 | 120.8° | 119.9° |
| O5 | C1 | C2 | F2 | 106.5° | 58.7° |
| O5 | C1 | C2 | C3 | 0.3° | 61.2° |
| O5 | C1 | C2 | H2 | 135.2° | 178.9° |
| C1 | O5 | C5 | C4 | 75.2° | 67.6° |
| C1 | O5 | C5 | C6 | 165.0° | 172.3° |
| C1 | O5 | C5 | H5 | 45.1° | 52.5° |
| O5 | C1 | O1 | HO1 | 53.8° | 60.0° |
| O1 | C1 | C2 | F2 | 127.6° | 178.8° |
| O1 | C1 | C2 | C3 | 125.6° | 58.9° |
| O1 | C1 | C2 | H2 | 9.2° | 61.1° |
| O1 | C1 | O5 | C5 | 86.2° | 52.5° |
| H1 | C1 | C2 | F2 | 128.2° | 61.5° |
| H1 | C1 | C2 | C3 | 124.9° | 178.6° |
| H1 | C1 | C2 | H2 | 9.9° | 58.6° |
| H1 | C1 | O5 | C5 | 80.0° | 172.2° |
| H1 | C1 | O1 | HO1 | 174.6° | 59.9° |
| F2 | C2 | C3 | H2 | 119.7° | 120.2° |
| F2 | C2 | C3 | O3 | 0.5° | 53.8° |
| F2 | C2 | C3 | C4 | 118.3° | 66.2° |
| F2 | C2 | C3 | H3 | 117.3° | 174.1° |
| C2 | C3 | O3 | C4 | 127.0° | 119.3° |
| C2 | C3 | O3 | H3 | 116.8° | 120.3° |
| C2 | C3 | C4 | H3 | 124.4° | 119.8° |
| C2 | C3 | O3 | HO3 | 180.0° | 59.9° |
| C2 | C3 | C4 | O4 | 130.0° | 173.7° |
| C2 | C3 | C4 | C5 | 13.6° | 53.7° |
| C2 | C3 | C4 | H4 | 106.9° | 66.1° |
| H2 | C2 | C3 | O3 | 119.2° | 66.5° |
| H2 | C2 | C3 | C4 | 122.0° | 173.6° |
| H2 | C2 | C3 | H3 | 2.4° | 53.9° |
| O3 | C3 | C4 | H3 | 116.2° | 120.4° |
| O3 | C3 | C4 | O4 | 110.7° | 66.4° |
| O3 | C3 | C4 | C5 | 133.0° | 173.6° |
| O3 | C3 | C4 | H4 | 12.5° | 53.7° |
| C4 | C3 | O3 | HO3 | 53.1° | 179.2° |
| C3 | C4 | O4 | C5 | 119.1° | 119.6° |
| C3 | C4 | O4 | H4 | 123.2° | 120.1° |
| C3 | C4 | C5 | H4 | 120.5° | 119.8° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | O5 | 52.2° | 61.3° |
| C3 | C4 | C5 | C6 | 169.0° | 178.6° |
| C3 | C4 | C5 | H5 | 68.2° | 58.8° |
| H3 | C3 | O3 | HO3 | 63.2° | 60.4° |
| H3 | C3 | C4 | O4 | 5.6° | 53.9° |
| H3 | C3 | C4 | C5 | 110.8° | 66.0° |
| H3 | C3 | C4 | H4 | 128.7° | 174.1° |
| O4 | C4 | C5 | H4 | 117.8° | 120.3° |
| O4 | C4 | C5 | O5 | 173.9° | 178.8° |
| O4 | C4 | C5 | C6 | 69.3° | 58.6° |
| O4 | C4 | C5 | H5 | 53.6° | 61.1° |
| C5 | C4 | O4 | HO4 | 60.9° | 179.6° |
| C4 | C5 | O5 | C6 | 119.8° | 120.1° |
| C4 | C5 | O5 | H5 | 120.3° | 120.1° |
| C4 | C5 | C6 | H5 | 122.8° | 119.8° |
| C4 | C5 | C6 | O6 | 63.1° | 179.8° |
| C4 | C5 | C6 | H61 | 62.2° | 60.2° |
| C4 | C5 | C6 | H62 | 171.6° | 59.7° |
| H4 | C4 | O4 | HO4 | 56.8° | 60.1° |
| H4 | C4 | C5 | O5 | 68.3° | 58.5° |
| H4 | C4 | C5 | C6 | 48.5° | 61.6° |
| H4 | C4 | C5 | H5 | 171.3° | 178.6° |
| O5 | C5 | C6 | H5 | 119.8° | 119.8° |
| O5 | C5 | C6 | O6 | 54.3° | 59.8° |
| O5 | C5 | C6 | H61 | 179.5° | 60.1° |
| O5 | C5 | C6 | H62 | 71.0° | 179.9° |
| C5 | C6 | O6 | H61 | 125.3° | 120.0° |
| C5 | C6 | O6 | H62 | 125.3° | 120.1° |
| C5 | C6 | H61 | H62 | 118.3° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 179.9° |
| H5 | C5 | C6 | O6 | 174.1° | 60.0° |
| H5 | C5 | C6 | H61 | 60.6° | 180.0° |
| H5 | C5 | C6 | H62 | 48.8° | 60.1° |
| O6 | C6 | H61 | H62 | 118.3° | 120.0° |
| H61 | C6 | O6 | HO6 | 54.7° | 59.9° |
| H62 | C6 | O6 | HO6 | 54.7° | 60.0° |
