L1Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C4 | sing | 1.35Å | 1.35Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| F1 | C5 | sing | 1.35Å | 1.34Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | F3 | sing | 1.35Å | 1.35Å | |
| C8 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | S | sing | 1.76Å | 1.79Å | |
| C7 | F2 | sing | 1.35Å | 1.34Å | |
| N | S | sing | 1.66Å | 1.59Å | |
| O1 | S | doub | 1.42Å | 1.45Å | |
| S | O | doub | 1.42Å | 1.43Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C4 | C3 | 119.2° | 120.0° |
| F | C4 | C5 | 118.0° | 120.0° |
| C1 | C2 | C3 | 112.8° | 109.5° |
| C2 | C1 | C | 113.5° | 109.5° |
| C2 | C1 | H6 | 108.4° | 109.5° |
| C2 | C1 | H7 | 108.4° | 109.4° |
| C1 | C2 | H8 | 108.7° | 109.5° |
| C1 | C2 | H9 | 108.6° | 109.5° |
| C2 | C3 | C4 | 122.1° | 120.0° |
| C2 | C3 | C8 | 122.1° | 119.9° |
| C3 | C2 | H8 | 108.6° | 109.4° |
| C3 | C2 | H9 | 108.6° | 109.5° |
| C1 | C | H3 | 109.5° | 109.4° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H5 | 109.5° | 109.5° |
| C | C1 | H6 | 108.5° | 109.5° |
| C | C1 | H7 | 108.4° | 109.5° |
| C3 | C4 | C5 | 122.8° | 120.0° |
| C4 | C3 | C8 | 115.8° | 120.0° |
| C4 | C5 | F1 | 117.3° | 120.0° |
| C4 | C5 | C6 | 121.1° | 119.9° |
| C3 | C8 | F3 | 119.4° | 120.0° |
| C3 | C8 | C7 | 122.3° | 119.9° |
| F1 | C5 | C6 | 121.6° | 120.0° |
| C5 | C6 | C7 | 116.5° | 120.0° |
| C5 | C6 | S | 124.6° | 120.0° |
| F3 | C8 | C7 | 118.3° | 120.0° |
| C8 | C7 | C6 | 121.5° | 120.0° |
| C8 | C7 | F2 | 118.0° | 120.0° |
| C7 | C6 | S | 118.9° | 120.0° |
| C6 | C7 | F2 | 120.5° | 120.0° |
| C6 | S | N | 109.1° | 107.2° |
| C6 | S | O1 | 103.2° | 106.4° |
| C6 | S | O | 104.4° | 106.4° |
| N | S | O1 | 109.6° | 106.4° |
| N | S | O | 110.6° | 106.4° |
| S | N | H1 | 109.5° | 120.1° |
| S | N | H2 | 109.5° | 120.0° |
| O1 | S | O | 119.2° | 123.2° |
| H1 | N | H2 | 109.5° | 119.9° |
| H3 | C | H4 | 109.5° | 109.4° |
| H3 | C | H5 | 109.4° | 109.5° |
| H4 | C | H5 | 109.4° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H8 | C2 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C4 | C3 | C2 | 0.9° | 0.3° |
| F | C4 | C3 | C5 | 178.5° | 179.7° |
| F | C4 | C3 | C8 | 178.5° | 179.7° |
| F | C4 | C5 | F1 | 4.2° | 0.3° |
| F | C4 | C5 | C6 | 177.9° | 179.7° |
| C1 | C2 | C3 | H8 | 120.5° | 120.0° |
| C1 | C2 | C3 | H9 | 120.5° | 120.1° |
| C2 | C1 | C | H6 | 120.6° | 120.0° |
| C2 | C1 | C | H7 | 120.6° | 120.0° |
| C1 | C2 | C3 | C4 | 96.1° | 90.0° |
| C1 | C2 | C3 | C8 | 81.4° | 90.0° |
| C2 | C1 | C | H3 | 180.0° | 60.0° |
| C2 | C1 | C | H4 | 60.0° | 59.9° |
| C2 | C1 | C | H5 | 60.0° | 180.0° |
| C2 | C1 | H6 | H7 | 118.1° | 120.0° |
| C1 | C2 | H8 | H9 | 118.5° | 120.0° |
| C3 | C2 | C1 | C | 67.5° | 180.0° |
| C2 | C3 | C4 | C8 | 177.6° | 180.0° |
| C2 | C3 | C4 | C5 | 177.6° | 180.0° |
| C2 | C3 | C8 | F3 | 1.6° | 0.0° |
| C2 | C3 | C8 | C7 | 177.3° | 180.0° |
| C3 | C2 | C1 | H6 | 171.9° | 60.0° |
| C3 | C2 | C1 | H7 | 53.1° | 60.0° |
| C3 | C2 | H8 | H9 | 118.5° | 120.0° |
| C1 | C | H3 | H4 | 120.0° | 119.9° |
| C1 | C | H3 | H5 | 120.0° | 120.0° |
| C1 | C | H4 | H5 | 120.0° | 120.0° |
| C | C1 | H6 | H7 | 118.2° | 120.0° |
| C | C1 | C2 | H8 | 172.0° | 60.0° |
| C | C1 | C2 | H9 | 53.0° | 60.0° |
| C3 | C4 | C5 | F1 | 177.3° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C4 | C3 | C8 | F3 | 179.2° | 180.0° |
| C4 | C3 | C8 | C7 | 0.4° | 0.0° |
| C4 | C3 | C2 | H8 | 143.4° | 30.0° |
| C4 | C3 | C2 | H9 | 24.4° | 150.0° |
| C5 | C4 | C3 | C8 | 0.0° | 0.0° |
| C4 | C5 | F1 | C6 | 177.9° | 180.0° |
| C4 | C5 | C6 | C7 | 0.9° | 0.0° |
| C4 | C5 | C6 | S | 179.7° | 179.9° |
| C3 | C8 | F3 | C7 | 178.9° | 180.0° |
| C3 | C8 | C7 | C6 | 0.1° | 0.0° |
| C3 | C8 | C7 | F2 | 178.4° | 179.9° |
| C8 | C3 | C2 | H8 | 39.1° | 150.0° |
| C8 | C3 | C2 | H9 | 158.1° | 30.1° |
| F1 | C5 | C6 | C7 | 176.9° | 180.0° |
| F1 | C5 | C6 | S | 1.9° | 0.0° |
| C5 | C6 | C7 | C8 | 0.5° | 0.0° |
| C5 | C6 | C7 | S | 178.9° | 180.0° |
| C5 | C6 | C7 | F2 | 177.7° | 179.9° |
| C5 | C6 | S | N | 2.1° | 90.0° |
| C5 | C6 | S | O1 | 118.5° | 23.5° |
| C5 | C6 | S | O | 116.1° | 156.5° |
| F3 | C8 | C7 | C6 | 178.9° | 180.0° |
| F3 | C8 | C7 | F2 | 2.8° | 0.0° |
| C8 | C7 | C6 | F2 | 178.2° | 179.9° |
| C8 | C7 | C6 | S | 179.4° | 179.9° |
| C7 | C6 | S | N | 176.7° | 90.0° |
| C7 | C6 | S | O1 | 60.3° | 156.5° |
| C7 | C6 | S | O | 65.1° | 23.5° |
| S | C6 | C7 | F2 | 1.2° | 0.0° |
| C6 | S | N | O1 | 112.3° | 113.6° |
| C6 | S | N | O | 114.3° | 113.5° |
| C6 | S | O1 | O | 115.2° | 123.0° |
| C6 | S | N | H1 | 180.0° | 150.0° |
| C6 | S | N | H2 | 60.0° | 30.0° |
| N | S | O1 | O | 128.8° | 122.9° |
| S | N | H1 | H2 | 120.0° | 180.0° |
| O1 | S | N | H1 | 67.6° | 96.4° |
| O1 | S | N | H2 | 52.3° | 83.5° |
| O | S | N | H1 | 65.7° | 36.5° |
| O | S | N | H2 | 174.3° | 143.6° |
| H3 | C | H4 | H5 | 120.0° | 120.1° |
| H3 | C | C1 | H6 | 59.4° | 60.1° |
| H3 | C | C1 | H7 | 59.4° | 179.9° |
| H4 | C | C1 | H6 | 179.4° | 180.0° |
| H4 | C | C1 | H7 | 60.6° | 60.0° |
| H5 | C | C1 | H6 | 60.6° | 60.0° |
| H5 | C | C1 | H7 | 179.4° | 60.0° |
| H6 | C1 | C2 | H8 | 51.4° | 180.0° |
| H6 | C1 | C2 | H9 | 67.6° | 60.0° |
| H7 | C1 | C2 | H8 | 67.4° | 60.0° |
| H7 | C1 | C2 | H9 | 173.6° | 180.0° |
