FQD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | C3 | sing | 1.76Å | 1.70Å | Aromatic |
| S | C2 | sing | 1.75Å | 1.72Å | Aromatic |
| N | C3 | sing | 1.35Å | 1.34Å | |
| N | C6 | doub | 1.30Å | 1.34Å | |
| C3 | C | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | N1 | sing | 1.36Å | 1.34Å | |
| C | C1 | sing | 1.46Å | 1.47Å | Aromatic |
| C | C4 | sing | 1.43Å | 1.44Å | |
| C1 | C5 | sing | 1.48Å | 1.49Å | |
| N1 | C4 | sing | 1.35Å | 1.40Å | |
| C4 | O | doub | 1.22Å | 1.34Å | |
| C7 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.37Å | Aromatic |
| C8 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| C9 | F | sing | 1.35Å | 1.36Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | S | C2 | 92.9° | 92.3° |
| S | C3 | N | 124.4° | 130.6° |
| S | C3 | C | 111.0° | 109.9° |
| S | C2 | C1 | 113.1° | 111.2° |
| S | C2 | H1 | 123.5° | 124.4° |
| C3 | N | C6 | 115.9° | 121.7° |
| N | C3 | C | 124.6° | 119.6° |
| N | C6 | N1 | 128.7° | 121.8° |
| N | C6 | H2 | 115.6° | 119.1° |
| C3 | C | C1 | 111.7° | 112.2° |
| C3 | C | C4 | 114.5° | 117.9° |
| C2 | C1 | C | 111.3° | 114.4° |
| C2 | C1 | C5 | 121.7° | 122.8° |
| C1 | C2 | H1 | 123.4° | 124.4° |
| C6 | N1 | C4 | 114.0° | 120.3° |
| N1 | C6 | H2 | 115.7° | 119.1° |
| C6 | N1 | H7 | 123.0° | 119.8° |
| C1 | C | C4 | 133.9° | 129.9° |
| C | C1 | C5 | 126.6° | 122.8° |
| C | C4 | N1 | 122.3° | 118.7° |
| C | C4 | O | 119.2° | 120.7° |
| C1 | C5 | C7 | 120.6° | 120.1° |
| C1 | C5 | C8 | 120.6° | 120.1° |
| N1 | C4 | O | 118.4° | 120.6° |
| C4 | N1 | H7 | 123.0° | 119.8° |
| C5 | C7 | C10 | 120.9° | 119.9° |
| C7 | C5 | C8 | 118.7° | 119.8° |
| C5 | C7 | H4 | 119.5° | 120.1° |
| C7 | C10 | C9 | 118.3° | 120.1° |
| C7 | C10 | H3 | 120.9° | 119.9° |
| C10 | C7 | H4 | 119.5° | 120.0° |
| C5 | C8 | C11 | 120.8° | 119.9° |
| C5 | C8 | H6 | 119.6° | 120.1° |
| C10 | C9 | C11 | 123.1° | 120.2° |
| C10 | C9 | F | 118.3° | 119.9° |
| C9 | C10 | H3 | 120.9° | 120.0° |
| C8 | C11 | C9 | 118.2° | 120.1° |
| C8 | C11 | H5 | 120.9° | 120.0° |
| C11 | C8 | H6 | 119.6° | 120.0° |
| C11 | C9 | F | 118.6° | 119.9° |
| C9 | C11 | H5 | 120.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | C3 | N | C | 179.2° | 179.9° |
| S | C3 | N | C6 | 179.9° | 179.8° |
| C3 | S | C2 | C1 | 1.2° | 0.2° |
| S | C3 | C | C1 | 0.9° | 0.1° |
| S | C3 | C | C4 | 178.5° | 179.8° |
| C3 | S | C2 | H1 | 178.8° | 179.9° |
| C2 | S | C3 | N | 179.2° | 179.9° |
| C2 | S | C3 | C | 0.1° | 0.0° |
| S | C2 | C1 | H1 | 180.0° | 179.9° |
| S | C2 | C1 | C | 1.9° | 0.3° |
| S | C2 | C1 | C5 | 171.8° | 180.0° |
| C3 | N | C6 | N1 | 1.0° | 0.0° |
| N | C3 | C | C1 | 179.8° | 180.0° |
| N | C3 | C | C4 | 0.8° | 0.0° |
| C3 | N | C6 | H2 | 179.0° | 180.0° |
| C6 | N | C3 | C | 0.7° | 0.0° |
| N | C6 | N1 | H2 | 180.0° | 180.0° |
| N | C6 | N1 | C4 | 0.3° | 0.0° |
| N | C6 | N1 | H7 | 179.7° | 180.0° |
| C3 | C | C1 | C2 | 1.8° | 0.3° |
| C3 | C | C1 | C4 | 179.2° | 180.0° |
| C3 | C | C1 | C5 | 171.5° | 180.0° |
| C3 | C | C4 | N1 | 2.2° | 0.0° |
| C3 | C | C4 | O | 174.6° | 180.0° |
| C2 | C1 | C | C5 | 173.3° | 179.7° |
| C2 | C1 | C | C4 | 177.4° | 179.7° |
| C2 | C1 | C5 | C7 | 43.3° | 50.1° |
| C2 | C1 | C5 | C8 | 132.5° | 130.4° |
| C6 | N1 | C4 | C | 2.0° | 0.0° |
| C6 | N1 | C4 | H7 | 180.0° | 180.0° |
| C6 | N1 | C4 | O | 174.9° | 180.0° |
| C1 | C | C4 | N1 | 178.5° | 180.0° |
| C1 | C | C4 | O | 4.6° | 0.0° |
| C | C1 | C5 | C7 | 144.1° | 130.3° |
| C | C1 | C5 | C8 | 40.1° | 49.2° |
| C | C1 | C2 | H1 | 178.2° | 179.7° |
| C4 | C | C1 | C5 | 9.3° | 0.0° |
| C | C4 | N1 | O | 176.8° | 179.9° |
| C | C4 | N1 | H7 | 178.0° | 180.0° |
| C1 | C5 | C7 | C8 | 175.9° | 179.5° |
| C1 | C5 | C7 | C10 | 174.9° | 180.0° |
| C1 | C5 | C8 | C11 | 175.3° | 179.7° |
| C5 | C1 | C2 | H1 | 8.2° | 0.1° |
| C1 | C5 | C7 | H4 | 5.1° | 0.0° |
| C1 | C5 | C8 | H6 | 4.7° | 0.3° |
| C4 | N1 | C6 | H2 | 179.7° | 180.0° |
| O | C4 | N1 | H7 | 5.1° | 0.1° |
| C5 | C7 | C10 | H4 | 180.0° | 180.0° |
| C5 | C7 | C10 | C9 | 0.9° | 0.0° |
| C7 | C5 | C8 | C11 | 0.6° | 0.8° |
| C5 | C7 | C10 | H3 | 179.1° | 179.7° |
| C7 | C5 | C8 | H6 | 179.4° | 179.8° |
| C10 | C7 | C5 | C8 | 1.0° | 0.5° |
| C7 | C10 | C9 | H3 | 180.0° | 179.7° |
| C7 | C10 | C9 | C11 | 0.3° | 0.3° |
| C7 | C10 | C9 | F | 179.4° | 179.7° |
| C5 | C8 | C11 | H6 | 180.0° | 179.5° |
| C5 | C8 | C11 | C9 | 0.1° | 0.5° |
| C8 | C5 | C7 | H4 | 179.0° | 179.5° |
| C5 | C8 | C11 | H5 | 179.9° | 179.5° |
| C10 | C9 | C11 | C8 | 0.1° | 0.0° |
| C10 | C9 | C11 | F | 179.8° | 180.0° |
| C9 | C10 | C7 | H4 | 179.2° | 180.0° |
| C10 | C9 | C11 | H5 | 180.0° | 180.0° |
| C8 | C11 | C9 | H5 | 180.0° | 180.0° |
| C8 | C11 | C9 | F | 179.8° | 180.0° |
| C11 | C9 | C10 | H3 | 179.7° | 179.9° |
| C9 | C11 | C8 | H6 | 179.9° | 180.0° |
| F | C9 | C10 | H3 | 0.6° | 0.0° |
| F | C9 | C11 | H5 | 0.2° | 0.0° |
| H2 | C6 | N1 | H7 | 0.3° | 0.0° |
| H3 | C10 | C7 | H4 | 0.8° | 0.3° |
| H5 | C11 | C8 | H6 | 0.1° | 0.0° |
