FUX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.42Å | 1.47Å | |
| C1 | OXT | doub | 1.25Å | 54.38Å | |
| C1 | H1 | sing | 1.13Å | 1.10Å | |
| C2 | O3 | sing | 1.36Å | 1.34Å | Aromatic |
| C2 | C6 | doub | 1.38Å | 1.33Å | Aromatic |
| O3 | C4 | sing | 1.36Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.34Å | Aromatic |
| C4 | C7 | sing | 1.47Å | 1.53Å | |
| C5 | C6 | sing | 1.42Å | 1.48Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | O8 | sing | 1.43Å | 1.45Å | |
| C7 | H71 | sing | 1.11Å | 1.11Å | |
| C7 | H72 | sing | 1.11Å | 1.11Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | OXT | 117.3° | 124.3° |
| C2 | C1 | H1 | 64.1° | 118.8° |
| C1 | C2 | O3 | 119.5° | 117.9° |
| C1 | C2 | C6 | 123.3° | 131.5° |
| OXT | C1 | H1 | 178.6° | 116.9° |
| O3 | C2 | C6 | 117.2° | 110.6° |
| C2 | O3 | C4 | 100.4° | 106.6° |
| C2 | C6 | C5 | 103.2° | 106.1° |
| C2 | C6 | H6 | 124.6° | 126.5° |
| O3 | C4 | C5 | 117.1° | 110.6° |
| O3 | C4 | C7 | 116.7° | 116.3° |
| C5 | C4 | C7 | 126.1° | 133.2° |
| C4 | C5 | C6 | 102.2° | 106.1° |
| C4 | C5 | H5 | 125.5° | 126.4° |
| C4 | C7 | O8 | 112.8° | 110.2° |
| C4 | C7 | H71 | 111.0° | 112.4° |
| C4 | C7 | H72 | 111.0° | 112.2° |
| C6 | C5 | H5 | 132.3° | 127.5° |
| C5 | C6 | H6 | 132.3° | 127.4° |
| O8 | C7 | H71 | 111.0° | 107.6° |
| O8 | C7 | H72 | 111.0° | 107.8° |
| C7 | O8 | HO8 | 112.8° | 106.3° |
| H71 | C7 | H72 | 99.4° | 106.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | OXT | H1 | 179.5° | 180.0° |
| C1 | C2 | O3 | C6 | 179.6° | 180.0° |
| C1 | C2 | O3 | C4 | 179.4° | 180.0° |
| C1 | C2 | C6 | C5 | 179.6° | 180.0° |
| C1 | C2 | C6 | H6 | 0.4° | 0.0° |
| OXT | C1 | C2 | O3 | 7.9° | 180.0° |
| OXT | C1 | C2 | C6 | 172.5° | 0.0° |
| H1 | C1 | C2 | O3 | 172.1° | 0.0° |
| H1 | C1 | C2 | C6 | 7.5° | 180.0° |
| C2 | O3 | C4 | C5 | 0.3° | 0.1° |
| C2 | O3 | C4 | C7 | 179.6° | 180.0° |
| O3 | C2 | C6 | C5 | 0.0° | 0.0° |
| O3 | C2 | C6 | H6 | 180.0° | 180.0° |
| C6 | C2 | O3 | C4 | 0.2° | 0.1° |
| C2 | C6 | C5 | C4 | 0.2° | 0.0° |
| C2 | C6 | C5 | H6 | 180.0° | 180.0° |
| C2 | C6 | C5 | H5 | 179.8° | 180.0° |
| O3 | C4 | C5 | C7 | 180.0° | 179.9° |
| O3 | C4 | C5 | C6 | 0.3° | 0.0° |
| O3 | C4 | C5 | H5 | 179.6° | 180.0° |
| O3 | C4 | C7 | O8 | 7.5° | 89.9° |
| O3 | C4 | C7 | H71 | 132.7° | 30.2° |
| O3 | C4 | C7 | H72 | 117.8° | 149.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C4 | C7 | O8 | 172.5° | 90.0° |
| C5 | C4 | C7 | H71 | 47.3° | 149.9° |
| C5 | C4 | C7 | H72 | 62.2° | 30.2° |
| C7 | C4 | C5 | C6 | 179.6° | 180.0° |
| C7 | C4 | C5 | H5 | 0.4° | 0.1° |
| C4 | C7 | O8 | H71 | 125.2° | 123.0° |
| C4 | C7 | O8 | H72 | 125.3° | 122.8° |
| C4 | C7 | H71 | H72 | 116.9° | 123.1° |
| C4 | C7 | O8 | HO8 | 180.0° | 146.9° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| O8 | C7 | H71 | H72 | 116.9° | 115.3° |
| H71 | C7 | O8 | HO8 | 54.8° | 90.2° |
| H72 | C7 | O8 | HO8 | 54.7° | 24.1° |
