W25
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C7 | doub | 1.21Å | 1.24Å | |
| C7 | O | sing | 1.34Å | 1.24Å | |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| O2 | C6 | sing | 1.43Å | 1.40Å | |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| F | C3 | sing | 1.35Å | 1.33Å | |
| C3 | C2 | sing | 1.39Å | 1.35Å | Aromatic |
| C5 | C | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | F1 | sing | 1.35Å | 1.33Å | |
| C2 | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C | H1 | sing | 1.08Å | 1.08Å | |
| O2 | H4 | sing | 0.97Å | 0.95Å | |
| O | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C7 | O | 126.1° | 120.0° |
| O1 | C7 | C6 | 116.8° | 120.0° |
| O | C7 | C6 | 117.1° | 120.0° |
| C7 | O | H5 | 109.5° | 117.0° |
| C7 | C6 | O2 | 110.8° | 109.5° |
| C7 | C6 | C5 | 105.7° | 109.5° |
| C7 | C6 | H | 108.5° | 109.5° |
| O2 | C6 | C5 | 112.9° | 109.4° |
| O2 | C6 | H | 110.0° | 109.4° |
| C6 | O2 | H4 | 109.5° | 114.0° |
| C6 | C5 | C4 | 121.1° | 120.0° |
| C6 | C5 | C | 119.0° | 120.0° |
| C5 | C6 | H | 108.7° | 109.5° |
| C3 | C4 | C5 | 118.9° | 120.0° |
| C4 | C3 | F | 120.1° | 120.0° |
| C4 | C3 | C2 | 121.2° | 119.9° |
| C3 | C4 | H3 | 120.5° | 120.0° |
| C4 | C5 | C | 119.4° | 120.0° |
| C5 | C4 | H3 | 120.6° | 120.0° |
| F | C3 | C2 | 118.0° | 120.0° |
| C3 | C2 | F1 | 118.7° | 120.1° |
| C3 | C2 | C1 | 120.7° | 119.9° |
| C5 | C | C1 | 120.8° | 120.1° |
| C5 | C | H1 | 119.6° | 119.9° |
| F1 | C2 | C1 | 120.6° | 120.0° |
| C2 | C1 | C | 118.8° | 120.0° |
| C2 | C1 | H2 | 120.6° | 120.0° |
| C | C1 | H2 | 120.6° | 120.0° |
| C1 | C | H1 | 119.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C7 | O | C6 | 177.9° | 179.7° |
| O1 | C7 | C6 | O2 | 24.9° | 4.7° |
| O1 | C7 | C6 | C5 | 97.8° | 115.3° |
| O1 | C7 | C6 | H | 145.8° | 124.6° |
| O1 | C7 | O | H5 | 0.0° | 0.3° |
| O | C7 | C6 | O2 | 157.0° | 175.0° |
| O | C7 | C6 | C5 | 80.3° | 65.1° |
| O | C7 | C6 | H | 36.2° | 55.0° |
| C7 | C6 | O2 | C5 | 118.4° | 120.0° |
| C7 | C6 | O2 | H | 119.9° | 120.0° |
| C7 | C6 | C5 | H | 116.3° | 120.1° |
| C7 | C6 | C5 | C4 | 98.8° | 85.0° |
| C7 | C6 | C5 | C | 73.1° | 95.0° |
| C7 | C6 | O2 | H4 | 11.5° | 60.0° |
| C6 | C7 | O | H5 | 177.9° | 180.0° |
| O2 | C6 | C5 | H | 122.4° | 119.9° |
| O2 | C6 | C5 | C4 | 22.4° | 35.0° |
| O2 | C6 | C5 | C | 165.6° | 145.0° |
| C6 | C5 | C4 | C3 | 170.7° | 179.7° |
| C6 | C5 | C4 | C | 171.9° | 180.0° |
| C6 | C5 | C | C1 | 170.3° | 180.0° |
| C6 | C5 | C4 | H3 | 9.3° | 0.1° |
| C6 | C5 | C | H1 | 9.7° | 0.0° |
| C5 | C6 | O2 | H4 | 106.9° | 60.0° |
| C3 | C4 | C5 | H3 | 180.0° | 179.6° |
| C4 | C3 | F | C2 | 170.7° | 179.7° |
| C3 | C4 | C5 | C | 1.2° | 0.3° |
| C4 | C3 | C2 | F1 | 172.8° | 180.0° |
| C4 | C3 | C2 | C1 | 5.4° | 0.1° |
| C5 | C4 | C3 | F | 168.0° | 180.0° |
| C5 | C4 | C3 | C2 | 2.4° | 0.3° |
| C4 | C5 | C | C1 | 1.8° | 0.0° |
| C4 | C5 | C6 | H | 144.9° | 154.9° |
| C4 | C5 | C | H1 | 178.2° | 179.9° |
| F | C3 | C2 | F1 | 16.6° | 0.3° |
| F | C3 | C2 | C1 | 165.2° | 179.7° |
| F | C3 | C4 | H3 | 12.0° | 0.4° |
| C3 | C2 | F1 | C1 | 178.2° | 180.0° |
| C3 | C2 | C1 | C | 4.7° | 0.2° |
| C3 | C2 | C1 | H2 | 175.3° | 179.9° |
| C2 | C3 | C4 | H3 | 177.6° | 180.0° |
| C5 | C | C1 | C2 | 1.1° | 0.2° |
| C5 | C | C1 | H1 | 180.0° | 180.0° |
| C5 | C | C1 | H2 | 178.8° | 179.9° |
| C | C5 | C6 | H | 43.2° | 25.1° |
| C | C5 | C4 | H3 | 178.8° | 180.0° |
| F1 | C2 | C1 | C | 173.5° | 179.8° |
| F1 | C2 | C1 | H2 | 6.5° | 0.1° |
| C2 | C1 | C | H2 | 180.0° | 179.7° |
| C2 | C1 | C | H1 | 178.9° | 179.8° |
| H2 | C1 | C | H1 | 1.1° | 0.1° |
| H | C6 | O2 | H4 | 131.4° | 180.0° |
