3U4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| O9 | C1 | doub | 1.21Å | 1.28Å | |
| C5 | C6 | doub | 1.38Å | 1.36Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.49Å | |
| C2 | C7 | doub | 1.40Å | 1.37Å | Aromatic |
| C1 | O8 | sing | 1.35Å | 1.27Å | |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | F10 | sing | 1.35Å | 1.34Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| O8 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 122.3° | 120.2° |
| C4 | C3 | C2 | 114.6° | 119.9° |
| C4 | C3 | H1 | 122.7° | 120.0° |
| C3 | C4 | H2 | 118.9° | 119.9° |
| C4 | C5 | C6 | 122.0° | 120.4° |
| C5 | C4 | H2 | 118.8° | 119.9° |
| C4 | C5 | H3 | 119.0° | 119.8° |
| C3 | C2 | C1 | 117.5° | 120.2° |
| C3 | C2 | C7 | 123.1° | 119.6° |
| C2 | C3 | H1 | 122.7° | 120.1° |
| O9 | C1 | C2 | 115.3° | 120.0° |
| O9 | C1 | O8 | 127.0° | 120.0° |
| C5 | C6 | C7 | 115.6° | 120.1° |
| C6 | C5 | H3 | 119.0° | 119.8° |
| C5 | C6 | H4 | 122.2° | 120.0° |
| C1 | C2 | C7 | 119.3° | 120.2° |
| C2 | C1 | O8 | 117.7° | 120.0° |
| C2 | C7 | C6 | 122.4° | 119.8° |
| C2 | C7 | F10 | 121.5° | 120.1° |
| C1 | O8 | H5 | 109.5° | 117.0° |
| C6 | C7 | F10 | 116.1° | 120.1° |
| C7 | C6 | H4 | 122.2° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 2.8° | 0.0° |
| C4 | C3 | C2 | C1 | 178.4° | 179.9° |
| C4 | C3 | C2 | C7 | 1.7° | 0.2° |
| C3 | C4 | C5 | H3 | 177.1° | 180.0° |
| C5 | C4 | C3 | C2 | 0.8° | 0.0° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 2.1° | 0.2° |
| C5 | C4 | C3 | H1 | 179.2° | 180.0° |
| C4 | C5 | C6 | H4 | 177.9° | 180.0° |
| C3 | C2 | C1 | O9 | 51.7° | 180.0° |
| C3 | C2 | C1 | C7 | 176.8° | 179.7° |
| C3 | C2 | C1 | O8 | 129.8° | 0.3° |
| C3 | C2 | C7 | C6 | 2.4° | 0.5° |
| C3 | C2 | C7 | F10 | 178.3° | 179.7° |
| C2 | C3 | C4 | H2 | 179.2° | 180.0° |
| O9 | C1 | C2 | O8 | 178.5° | 179.6° |
| O9 | C1 | C2 | C7 | 131.5° | 0.3° |
| O9 | C1 | O8 | H5 | 0.0° | 0.3° |
| C5 | C6 | C7 | C2 | 0.4° | 0.5° |
| C5 | C6 | C7 | H4 | 180.0° | 179.8° |
| C5 | C6 | C7 | F10 | 179.7° | 179.7° |
| C6 | C5 | C4 | H2 | 177.1° | 180.0° |
| C1 | C2 | C7 | C6 | 179.0° | 179.8° |
| C1 | C2 | C7 | F10 | 1.7° | 0.0° |
| C1 | C2 | C3 | H1 | 1.7° | 0.0° |
| C2 | C1 | O8 | H5 | 178.3° | 179.9° |
| C7 | C2 | C1 | O8 | 47.0° | 180.0° |
| C2 | C7 | C6 | F10 | 179.3° | 179.8° |
| C7 | C2 | C3 | H1 | 178.3° | 179.7° |
| C2 | C7 | C6 | H4 | 179.6° | 179.7° |
| C7 | C6 | C5 | H3 | 177.8° | 179.7° |
| F10 | C7 | C6 | H4 | 0.3° | 0.0° |
| H1 | C3 | C4 | H2 | 0.9° | 0.1° |
| H2 | C4 | C5 | H3 | 2.9° | 0.1° |
| H3 | C5 | C6 | H4 | 2.1° | 0.0° |
