FOA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.47Å | 1.45Å | |
| C1 | O6 | doub | 1.22Å | 1.27Å | |
| C1 | O7 | sing | 1.35Å | 1.23Å | |
| C2 | C3 | doub | 1.37Å | 1.34Å | Aromatic |
| C2 | O8 | sing | 1.35Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.35Å | 1.34Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | O8 | sing | 1.34Å | 1.37Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O6 | 118.8° | 119.9° |
| C2 | C1 | O7 | 116.5° | 120.0° |
| C1 | C2 | C3 | 130.9° | 126.0° |
| C1 | C2 | O8 | 118.5° | 125.9° |
| O6 | C1 | O7 | 124.7° | 120.0° |
| C1 | O7 | HO7 | 109.5° | 120.0° |
| C3 | C2 | O8 | 110.6° | 108.1° |
| C2 | C3 | C4 | 106.4° | 106.7° |
| C2 | C3 | H3 | 126.8° | 126.7° |
| C2 | O8 | C5 | 104.9° | 109.3° |
| C4 | C3 | H3 | 126.8° | 126.7° |
| C3 | C4 | C5 | 107.9° | 107.1° |
| C3 | C4 | H4 | 126.1° | 126.4° |
| C5 | C4 | H4 | 126.0° | 126.5° |
| C4 | C5 | O8 | 110.3° | 108.8° |
| C4 | C5 | H5 | 124.9° | 125.6° |
| O8 | C5 | H5 | 124.9° | 125.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O6 | O7 | 179.9° | 179.9° |
| C1 | C2 | C3 | O8 | 179.7° | 179.7° |
| C1 | C2 | C3 | C4 | 179.7° | 179.9° |
| C1 | C2 | C3 | H3 | 0.3° | 0.4° |
| C1 | C2 | O8 | C5 | 179.7° | 179.9° |
| C2 | C1 | O7 | HO7 | 179.9° | 180.0° |
| O6 | C1 | C2 | C3 | 179.6° | 0.4° |
| O6 | C1 | C2 | O8 | 0.8° | 180.0° |
| O6 | C1 | O7 | HO7 | 0.0° | 0.0° |
| O7 | C1 | C2 | C3 | 0.6° | 179.7° |
| O7 | C1 | C2 | O8 | 179.1° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 0.1° | 0.5° |
| C2 | C3 | C4 | H4 | 179.9° | 179.8° |
| C3 | C2 | O8 | C5 | 0.0° | 0.2° |
| O8 | C2 | C3 | C4 | 0.0° | 0.4° |
| O8 | C2 | C3 | H3 | 180.0° | 180.0° |
| C2 | O8 | C5 | C4 | 0.1° | 0.0° |
| C2 | O8 | C5 | H5 | 179.9° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | O8 | 0.1° | 0.3° |
| C3 | C4 | C5 | H5 | 179.9° | 179.8° |
| H3 | C3 | C4 | C5 | 179.9° | 180.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.3° |
| C4 | C5 | O8 | H5 | 180.0° | 179.9° |
| H4 | C4 | C5 | O8 | 179.9° | 180.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.1° |
