LV4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C6 | sing | 1.35Å | 1.38Å | |
| F2 | C7 | sing | 1.40Å | 1.31Å | |
| N | C6 | sing | 1.35Å | 1.40Å | |
| N | C4 | sing | 1.40Å | 1.43Å | |
| C6 | S | doub | 1.71Å | 1.68Å | |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.44Å | Aromatic |
| C7 | F | sing | 1.40Å | 1.35Å | |
| C7 | O | sing | 1.43Å | 1.34Å | |
| C7 | F1 | sing | 1.40Å | 1.28Å | |
| C5 | C | sing | 1.38Å | 1.40Å | Aromatic |
| O | C3 | sing | 1.36Å | 1.37Å | |
| C3 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| C | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C6 | N | 115.9° | 120.0° |
| N1 | C6 | S | 121.8° | 120.0° |
| C6 | N1 | H1 | 120.0° | 120.0° |
| C6 | N1 | H2 | 120.0° | 119.9° |
| F2 | C7 | F | 108.1° | 109.5° |
| F2 | C7 | O | 113.0° | 109.4° |
| F2 | C7 | F1 | 110.0° | 109.5° |
| C6 | N | C4 | 124.6° | 120.0° |
| N | C6 | S | 122.3° | 120.0° |
| C6 | N | H4 | 117.7° | 119.9° |
| N | C4 | C5 | 121.3° | 120.1° |
| N | C4 | C3 | 120.4° | 120.0° |
| C4 | N | H4 | 117.7° | 120.1° |
| C5 | C4 | C3 | 118.3° | 119.8° |
| C4 | C5 | C | 120.6° | 120.0° |
| C4 | C5 | H3 | 119.7° | 120.0° |
| C4 | C3 | O | 121.4° | 120.2° |
| C4 | C3 | C2 | 120.7° | 119.8° |
| F | C7 | O | 107.1° | 109.4° |
| F | C7 | F1 | 105.2° | 109.5° |
| O | C7 | F1 | 112.9° | 109.5° |
| C7 | O | C3 | 119.4° | 117.1° |
| C5 | C | C1 | 119.5° | 120.2° |
| C | C5 | H3 | 119.7° | 120.0° |
| C5 | C | H5 | 120.3° | 119.9° |
| O | C3 | C2 | 117.8° | 120.0° |
| C3 | C2 | C1 | 119.4° | 120.0° |
| C3 | C2 | H7 | 120.3° | 120.0° |
| C | C1 | C2 | 121.4° | 120.2° |
| C1 | C | H5 | 120.2° | 119.9° |
| C | C1 | H6 | 119.3° | 119.9° |
| C2 | C1 | H6 | 119.3° | 119.9° |
| C1 | C2 | H7 | 120.3° | 120.0° |
| H1 | N1 | H2 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C6 | N | S | 177.8° | 179.9° |
| N1 | C6 | N | C4 | 177.4° | 174.6° |
| C6 | N1 | H1 | H2 | 180.0° | 179.7° |
| N1 | C6 | N | H4 | 2.6° | 5.5° |
| F2 | C7 | F | O | 122.0° | 120.0° |
| F2 | C7 | F | F1 | 117.6° | 120.1° |
| F2 | C7 | O | F1 | 125.7° | 120.0° |
| F2 | C7 | O | C3 | 64.8° | 60.0° |
| C6 | N | C4 | H4 | 180.0° | 180.0° |
| C6 | N | C4 | C5 | 113.8° | 44.2° |
| C6 | N | C4 | C3 | 67.4° | 135.5° |
| N | C6 | N1 | H1 | 177.8° | 180.0° |
| N | C6 | N1 | H2 | 2.1° | 0.2° |
| C4 | N | C6 | S | 4.8° | 5.5° |
| N | C4 | C5 | C3 | 178.8° | 179.7° |
| N | C4 | C5 | C | 178.3° | 179.7° |
| N | C4 | C3 | O | 3.8° | 0.3° |
| N | C4 | C3 | C2 | 179.3° | 179.7° |
| N | C4 | C5 | H3 | 1.6° | 0.3° |
| S | C6 | N1 | H1 | 0.0° | 0.0° |
| S | C6 | N1 | H2 | 180.0° | 179.7° |
| S | C6 | N | H4 | 175.2° | 174.5° |
| C4 | C5 | C | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | O | 177.4° | 180.0° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C4 | C5 | C | C1 | 0.5° | 0.0° |
| C5 | C4 | N | H4 | 66.2° | 135.8° |
| C4 | C5 | C | H5 | 179.5° | 179.9° |
| C4 | C3 | O | C7 | 106.7° | 180.0° |
| C3 | C4 | C5 | C | 0.5° | 0.0° |
| C4 | C3 | O | C2 | 177.0° | 180.0° |
| C4 | C3 | C2 | C1 | 1.3° | 0.0° |
| C3 | C4 | C5 | H3 | 179.5° | 180.0° |
| C3 | C4 | N | H4 | 112.6° | 44.5° |
| C4 | C3 | C2 | H7 | 178.7° | 180.0° |
| F | C7 | O | F1 | 115.4° | 120.0° |
| F | C7 | O | C3 | 176.3° | 60.0° |
| C7 | O | C3 | C2 | 76.2° | 0.0° |
| F1 | C7 | O | C3 | 60.9° | 180.0° |
| C5 | C | C1 | H5 | 180.0° | 179.9° |
| C5 | C | C1 | C2 | 0.4° | 0.0° |
| C5 | C | C1 | H6 | 179.6° | 179.9° |
| O | C3 | C2 | C1 | 178.4° | 180.0° |
| O | C3 | C2 | H7 | 1.7° | 0.1° |
| C3 | C2 | C1 | C | 1.3° | 0.0° |
| C3 | C2 | C1 | H7 | 180.0° | 179.9° |
| C3 | C2 | C1 | H6 | 178.7° | 179.9° |
| C | C1 | C2 | H6 | 180.0° | 179.9° |
| C1 | C | C5 | H3 | 179.5° | 180.0° |
| C | C1 | C2 | H7 | 178.7° | 179.9° |
| C2 | C1 | C | H5 | 179.6° | 180.0° |
| H3 | C5 | C | H5 | 0.5° | 0.1° |
| H5 | C | C1 | H6 | 0.4° | 0.1° |
| H6 | C1 | C2 | H7 | 1.3° | 0.0° |
