VVG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C2 | S1 | sing | 1.81Å | 1.79Å | |
| S1 | O1 | doub | 1.42Å | 1.43Å | |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| S1 | N1 | sing | 1.66Å | 1.64Å | |
| N1 | C3 | sing | 1.40Å | 1.43Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | F1 | sing | 1.35Å | 1.35Å | |
| C3 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | S1 | 113.0° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 108.6° | 109.5° |
| C1 | C2 | H5 | 108.6° | 109.5° |
| C2 | S1 | O1 | 108.2° | 110.5° |
| C2 | S1 | O2 | 107.0° | 110.5° |
| C2 | S1 | N1 | 107.7° | 104.4° |
| S1 | C2 | H4 | 108.6° | 109.4° |
| S1 | C2 | H5 | 108.6° | 109.4° |
| O1 | S1 | O2 | 118.8° | 121.0° |
| O1 | S1 | N1 | 108.5° | 104.3° |
| O2 | S1 | N1 | 106.2° | 104.3° |
| S1 | N1 | C3 | 123.2° | 120.0° |
| S1 | N1 | H6 | 105.9° | 120.0° |
| N1 | C3 | C4 | 120.6° | 120.1° |
| N1 | C3 | C8 | 121.7° | 120.0° |
| C3 | N1 | H6 | 105.9° | 120.0° |
| C3 | C4 | C5 | 119.9° | 119.9° |
| C4 | C3 | C8 | 117.7° | 119.9° |
| C3 | C4 | H7 | 120.1° | 120.0° |
| C4 | C5 | C6 | 120.8° | 120.2° |
| C5 | C4 | H7 | 120.1° | 120.0° |
| C4 | C5 | H8 | 119.6° | 119.9° |
| C5 | C6 | C7 | 120.4° | 120.1° |
| C6 | C5 | H8 | 119.6° | 119.9° |
| C5 | C6 | H9 | 119.8° | 119.9° |
| C6 | C7 | C8 | 118.7° | 120.1° |
| C7 | C6 | H9 | 119.8° | 119.9° |
| C6 | C7 | H10 | 120.7° | 120.0° |
| C7 | C8 | F1 | 118.6° | 120.1° |
| C7 | C8 | C3 | 122.6° | 119.8° |
| C8 | C7 | H10 | 120.7° | 120.0° |
| F1 | C8 | C3 | 118.8° | 120.1° |
| H2 | C1 | H1 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | S1 | H4 | 120.5° | 120.0° |
| C1 | C2 | S1 | H5 | 120.6° | 120.0° |
| C1 | C2 | S1 | O1 | 63.0° | 68.3° |
| C1 | C2 | S1 | O2 | 167.9° | 68.4° |
| C1 | C2 | S1 | N1 | 54.1° | 180.0° |
| C2 | C1 | H2 | H1 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 118.4° | 120.1° |
| C2 | S1 | O1 | O2 | 122.1° | 131.4° |
| C2 | S1 | O1 | N1 | 116.5° | 111.7° |
| C2 | S1 | O2 | N1 | 114.8° | 111.7° |
| C2 | S1 | N1 | C3 | 51.9° | 60.1° |
| C2 | S1 | N1 | H6 | 173.8° | 120.3° |
| S1 | C2 | C1 | H2 | 180.0° | 60.0° |
| S1 | C2 | C1 | H1 | 60.0° | 60.0° |
| S1 | C2 | C1 | H3 | 60.0° | 180.0° |
| S1 | C2 | H4 | H5 | 118.4° | 120.0° |
| O1 | S1 | O2 | N1 | 122.4° | 116.8° |
| O1 | S1 | N1 | C3 | 168.8° | 176.1° |
| O1 | S1 | N1 | H6 | 69.3° | 4.2° |
| O1 | S1 | C2 | H4 | 176.5° | 51.7° |
| O1 | S1 | C2 | H5 | 57.6° | 171.7° |
| O2 | S1 | N1 | C3 | 62.4° | 56.0° |
| O2 | S1 | N1 | H6 | 59.5° | 123.7° |
| O2 | S1 | C2 | H4 | 47.4° | 171.6° |
| O2 | S1 | C2 | H5 | 71.6° | 51.6° |
| S1 | N1 | C3 | H6 | 121.9° | 179.7° |
| S1 | N1 | C3 | C4 | 98.1° | 35.4° |
| S1 | N1 | C3 | C8 | 80.3° | 144.0° |
| N1 | S1 | C2 | H4 | 66.4° | 60.0° |
| N1 | S1 | C2 | H5 | 174.6° | 60.0° |
| N1 | C3 | C4 | C8 | 178.4° | 179.4° |
| N1 | C3 | C4 | C5 | 178.6° | 180.0° |
| N1 | C3 | C8 | C7 | 178.3° | 180.0° |
| N1 | C3 | C8 | F1 | 1.7° | 0.2° |
| N1 | C3 | C4 | H7 | 1.5° | 0.3° |
| C3 | C4 | C5 | H7 | 180.0° | 179.6° |
| C3 | C4 | C5 | C6 | 0.2° | 0.4° |
| C4 | C3 | C8 | C7 | 0.1° | 0.5° |
| C4 | C3 | C8 | F1 | 179.9° | 179.6° |
| C4 | C3 | N1 | H6 | 140.1° | 144.2° |
| C3 | C4 | C5 | H8 | 179.8° | 179.7° |
| C4 | C5 | C6 | H8 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.1° |
| C5 | C4 | C3 | C8 | 0.2° | 0.6° |
| C4 | C5 | C6 | H9 | 179.9° | 180.0° |
| C5 | C6 | C7 | H9 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.3° | 0.0° |
| C6 | C5 | C4 | H7 | 179.9° | 180.0° |
| C5 | C6 | C7 | H10 | 179.7° | 180.0° |
| C6 | C7 | C8 | H10 | 180.0° | 180.0° |
| C6 | C7 | C8 | F1 | 179.7° | 180.0° |
| C6 | C7 | C8 | C3 | 0.3° | 0.2° |
| C7 | C6 | C5 | H8 | 179.9° | 180.0° |
| C7 | C8 | F1 | C3 | 180.0° | 179.8° |
| C8 | C7 | C6 | H9 | 179.6° | 180.0° |
| F1 | C8 | C7 | H10 | 0.3° | 0.0° |
| C8 | C3 | N1 | H6 | 41.6° | 36.3° |
| C8 | C3 | C4 | H7 | 179.9° | 179.7° |
| C3 | C8 | C7 | H10 | 179.7° | 179.8° |
| H7 | C4 | C5 | H8 | 0.2° | 0.0° |
| H8 | C5 | C6 | H9 | 0.1° | 0.0° |
| H9 | C6 | C7 | H10 | 0.4° | 0.1° |
| H2 | C1 | H1 | H3 | 120.0° | 119.9° |
| H2 | C1 | C2 | H4 | 59.4° | 60.0° |
| H2 | C1 | C2 | H5 | 59.5° | 180.0° |
| H1 | C1 | C2 | H4 | 60.6° | 180.0° |
| H1 | C1 | C2 | H5 | 179.5° | 59.9° |
| H3 | C1 | C2 | H4 | 179.5° | 60.0° |
| H3 | C1 | C2 | H5 | 60.5° | 60.0° |
