FBV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.36Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.43Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.44Å | Aromatic |
| C4 | S | sing | 1.76Å | 1.76Å | |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | F | sing | 1.35Å | 1.35Å | |
| S | N2 | sing | 1.66Å | 1.60Å | |
| S | O1 | doub | 1.42Å | 1.48Å | |
| S | O2 | doub | 1.42Å | 1.42Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N2 | H21N | sing | 0.97Å | 1.00Å | |
| N2 | H22N | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.7° | 120.0° |
| C1 | C2 | C3 | 121.9° | 120.1° |
| C2 | C1 | H1 | 119.7° | 120.0° |
| C1 | C2 | H2 | 119.1° | 120.0° |
| C1 | C6 | C5 | 118.3° | 120.0° |
| C6 | C1 | H1 | 119.6° | 120.0° |
| C1 | C6 | H6 | 120.9° | 120.0° |
| C2 | C3 | C4 | 119.1° | 120.0° |
| C3 | C2 | H2 | 119.1° | 120.0° |
| C2 | C3 | H3 | 120.5° | 120.0° |
| C3 | C4 | C5 | 115.2° | 120.0° |
| C3 | C4 | S | 122.2° | 120.0° |
| C4 | C3 | H3 | 120.4° | 120.0° |
| C5 | C4 | S | 122.6° | 120.0° |
| C4 | C5 | C6 | 124.9° | 119.9° |
| C4 | C5 | F | 115.0° | 120.0° |
| C4 | S | N2 | 107.6° | 107.2° |
| C4 | S | O1 | 104.7° | 106.4° |
| C4 | S | O2 | 104.5° | 106.4° |
| C6 | C5 | F | 120.1° | 120.1° |
| C5 | C6 | H6 | 120.8° | 120.0° |
| N2 | S | O1 | 110.7° | 106.4° |
| N2 | S | O2 | 109.2° | 106.4° |
| S | N2 | H21N | 109.5° | 120.0° |
| S | N2 | H22N | 109.4° | 120.0° |
| O1 | S | O2 | 119.3° | 123.2° |
| H21N | N2 | H22N | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.6° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.9° | 0.0° |
| C2 | C1 | C6 | C5 | 0.6° | 0.1° |
| C2 | C1 | C6 | H6 | 179.4° | 180.0° |
| C1 | C2 | C3 | H3 | 178.1° | 180.0° |
| C6 | C1 | C2 | C3 | 0.5° | 0.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | F | 178.1° | 179.9° |
| C6 | C1 | C2 | H2 | 179.5° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 2.2° | 0.1° |
| C2 | C3 | C4 | S | 179.8° | 179.9° |
| C3 | C2 | C1 | H1 | 179.5° | 179.7° |
| C3 | C4 | C5 | S | 178.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.2° | 0.0° |
| C3 | C4 | C5 | F | 176.8° | 180.0° |
| C3 | C4 | S | N2 | 126.5° | 115.0° |
| C3 | C4 | S | O1 | 115.7° | 131.5° |
| C3 | C4 | S | O2 | 10.5° | 1.4° |
| C4 | C3 | C2 | H2 | 178.1° | 180.0° |
| C4 | C5 | C6 | F | 177.9° | 180.0° |
| C5 | C4 | S | N2 | 55.6° | 65.0° |
| C5 | C4 | S | O1 | 62.2° | 48.5° |
| C5 | C4 | S | O2 | 171.6° | 178.6° |
| C4 | C5 | C6 | H6 | 179.8° | 179.9° |
| C5 | C4 | C3 | H3 | 177.8° | 180.0° |
| S | C4 | C5 | C6 | 179.2° | 180.0° |
| S | C4 | C5 | F | 1.2° | 0.0° |
| C4 | S | N2 | O1 | 113.9° | 113.5° |
| C4 | S | N2 | O2 | 112.8° | 113.6° |
| C4 | S | O1 | O2 | 116.4° | 123.0° |
| S | C4 | C3 | H3 | 0.2° | 0.0° |
| C4 | S | N2 | H21N | 32.2° | 150.0° |
| C4 | S | N2 | H22N | 87.8° | 30.0° |
| C5 | C6 | C1 | H1 | 179.4° | 179.7° |
| F | C5 | C6 | H6 | 1.9° | 0.1° |
| N2 | S | O1 | O2 | 128.0° | 123.0° |
| S | N2 | H21N | H22N | 120.0° | 180.0° |
| O1 | S | N2 | H21N | 146.0° | 36.5° |
| O1 | S | N2 | H22N | 26.0° | 143.5° |
| O2 | S | N2 | H21N | 80.6° | 96.4° |
| O2 | S | N2 | H22N | 159.4° | 83.5° |
| H1 | C1 | C2 | H2 | 0.5° | 0.3° |
| H1 | C1 | C6 | H6 | 0.6° | 0.4° |
| H2 | C2 | C3 | H3 | 1.9° | 0.1° |
