OAF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.34Å | 1.25Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| O1 | C1 | doub | 1.21Å | 1.25Å | |
| O4 | C2 | sing | 1.43Å | 1.42Å | |
| O3 | C2 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| F2 | C3 | sing | 1.40Å | 1.35Å | |
| C3 | F1 | sing | 1.40Å | 1.30Å | |
| O6 | C4 | doub | 1.21Å | 1.21Å | |
| C4 | O5 | sing | 1.34Å | 1.23Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | HO2 | 109.5° | 117.0° |
| O2 | C1 | C2 | 116.7° | 120.0° |
| O2 | C1 | O1 | 126.4° | 120.0° |
| C2 | C1 | O1 | 116.9° | 120.0° |
| C1 | C2 | O4 | 105.0° | 109.4° |
| C1 | C2 | O3 | 112.7° | 109.5° |
| C1 | C2 | C3 | 107.8° | 109.5° |
| O4 | C2 | O3 | 109.2° | 109.5° |
| O4 | C2 | C3 | 113.2° | 109.5° |
| C2 | O4 | HO4 | 109.5° | 114.0° |
| O3 | C2 | C3 | 109.0° | 109.5° |
| C2 | O3 | HO3 | 109.5° | 114.0° |
| C2 | C3 | C4 | 116.9° | 109.5° |
| C2 | C3 | F2 | 108.9° | 109.5° |
| C2 | C3 | F1 | 103.3° | 109.5° |
| C4 | C3 | F2 | 111.5° | 109.5° |
| C4 | C3 | F1 | 101.6° | 109.5° |
| C3 | C4 | O6 | 114.5° | 120.0° |
| C3 | C4 | O5 | 119.0° | 120.0° |
| F2 | C3 | F1 | 114.3° | 109.4° |
| O6 | C4 | O5 | 126.4° | 120.0° |
| C4 | O5 | HO5 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | C2 | O1 | 180.0° | 180.0° |
| O2 | C1 | C2 | O4 | 147.2° | 65.0° |
| O2 | C1 | C2 | O3 | 28.5° | 175.0° |
| O2 | C1 | C2 | C3 | 91.9° | 55.0° |
| HO2 | O2 | C1 | C2 | 180.0° | 180.0° |
| HO2 | O2 | C1 | O1 | 0.0° | 0.1° |
| C1 | C2 | O4 | O3 | 121.1° | 120.0° |
| C1 | C2 | O4 | C3 | 117.3° | 120.0° |
| C1 | C2 | O3 | C3 | 119.6° | 120.0° |
| C1 | C2 | O4 | HO4 | 84.6° | 60.0° |
| C1 | C2 | O3 | HO3 | 127.6° | 60.0° |
| C1 | C2 | C3 | C4 | 150.5° | 165.0° |
| C1 | C2 | C3 | F2 | 82.0° | 45.0° |
| C1 | C2 | C3 | F1 | 39.9° | 75.0° |
| O1 | C1 | C2 | O4 | 32.8° | 115.1° |
| O1 | C1 | C2 | O3 | 151.5° | 5.0° |
| O1 | C1 | C2 | C3 | 88.2° | 125.0° |
| O4 | C2 | O3 | C3 | 124.1° | 120.0° |
| O4 | C2 | O3 | HO3 | 11.3° | 180.0° |
| O4 | C2 | C3 | C4 | 93.8° | 45.0° |
| O4 | C2 | C3 | F2 | 33.6° | 75.0° |
| O4 | C2 | C3 | F1 | 155.5° | 165.0° |
| O3 | C2 | O4 | HO4 | 154.4° | 180.0° |
| O3 | C2 | C3 | C4 | 27.9° | 75.0° |
| O3 | C2 | C3 | F2 | 155.4° | 165.0° |
| O3 | C2 | C3 | F1 | 82.7° | 45.0° |
| C3 | C2 | O4 | HO4 | 32.7° | 60.0° |
| C3 | C2 | O3 | HO3 | 112.8° | 60.0° |
| C2 | C3 | C4 | F2 | 126.2° | 120.0° |
| C2 | C3 | C4 | F1 | 111.6° | 120.0° |
| C2 | C3 | F2 | F1 | 114.9° | 120.0° |
| C2 | C3 | C4 | O6 | 91.8° | 25.0° |
| C2 | C3 | C4 | O5 | 90.2° | 155.0° |
| C4 | C3 | F2 | F1 | 114.6° | 120.0° |
| C3 | C4 | O6 | O5 | 177.8° | 180.0° |
| C3 | C4 | O5 | HO5 | 177.7° | 179.9° |
| F2 | C3 | C4 | O6 | 34.4° | 145.1° |
| F2 | C3 | C4 | O5 | 143.6° | 35.0° |
| F1 | C3 | C4 | O6 | 156.6° | 95.0° |
| F1 | C3 | C4 | O5 | 21.3° | 85.0° |
| O6 | C4 | O5 | HO5 | 0.0° | 0.0° |
