WAH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C6 | sing | 1.35Å | 1.29Å | |
| O1 | S | doub | 1.42Å | 1.42Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.52Å | |
| N | C1 | sing | 1.46Å | 1.44Å | |
| N | S | sing | 1.66Å | 1.59Å | |
| C5 | C4 | sing | 1.38Å | 1.36Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| S | O | doub | 1.42Å | 1.33Å | |
| S | C2 | sing | 1.81Å | 1.75Å | |
| C4 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.44Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C6 | C5 | 115.8° | 120.0° |
| F | C6 | C7 | 120.1° | 120.0° |
| O1 | S | N | 104.1° | 104.3° |
| O1 | S | O | 118.4° | 121.1° |
| O1 | S | C2 | 105.4° | 110.5° |
| C5 | C6 | C7 | 124.1° | 120.0° |
| C6 | C5 | C4 | 119.5° | 120.0° |
| C6 | C5 | H5 | 120.2° | 120.0° |
| C6 | C7 | C8 | 115.3° | 120.0° |
| C6 | C7 | H1 | 122.3° | 120.1° |
| C | C1 | N | 109.8° | 109.5° |
| C | C1 | H3 | 109.4° | 109.4° |
| C | C1 | H4 | 109.4° | 109.5° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C | H11 | 109.5° | 109.4° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | N | S | 126.6° | 120.0° |
| N | C1 | H3 | 109.4° | 109.4° |
| N | C1 | H4 | 109.4° | 109.5° |
| C1 | N | H9 | 105.0° | 120.0° |
| N | S | O | 102.5° | 104.3° |
| N | S | C2 | 117.6° | 104.4° |
| S | N | H9 | 105.0° | 120.0° |
| C5 | C4 | C3 | 118.3° | 120.0° |
| C4 | C5 | H5 | 120.3° | 120.0° |
| C5 | C4 | H6 | 120.8° | 120.0° |
| C7 | C8 | C3 | 120.6° | 120.0° |
| C8 | C7 | H1 | 122.4° | 120.0° |
| C7 | C8 | H2 | 119.7° | 120.0° |
| O | S | C2 | 109.4° | 110.5° |
| S | C2 | C3 | 106.2° | 109.5° |
| S | C2 | H7 | 110.3° | 109.5° |
| S | C2 | H8 | 110.3° | 109.4° |
| C4 | C3 | C8 | 122.2° | 120.1° |
| C4 | C3 | C2 | 121.0° | 120.0° |
| C3 | C4 | H6 | 120.9° | 119.9° |
| C8 | C3 | C2 | 116.8° | 120.0° |
| C3 | C8 | H2 | 119.7° | 120.0° |
| C3 | C2 | H7 | 110.3° | 109.5° |
| C3 | C2 | H8 | 110.3° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H7 | C2 | H8 | 109.5° | 109.5° |
| H10 | C | H11 | 109.5° | 109.4° |
| H10 | C | H12 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C6 | C5 | C7 | 178.5° | 179.9° |
| F | C6 | C5 | C4 | 177.9° | 179.4° |
| F | C6 | C7 | C8 | 178.2° | 180.0° |
| F | C6 | C7 | H1 | 1.7° | 0.3° |
| F | C6 | C5 | H5 | 2.0° | 0.2° |
| O1 | S | N | C1 | 161.6° | 178.9° |
| O1 | S | N | O | 123.9° | 127.9° |
| O1 | S | N | C2 | 116.1° | 116.1° |
| O1 | S | O | C2 | 120.7° | 131.5° |
| O1 | S | C2 | C3 | 75.5° | 68.4° |
| O1 | S | C2 | H7 | 165.1° | 51.6° |
| O1 | S | C2 | H8 | 44.0° | 171.6° |
| O1 | S | N | H9 | 39.3° | 1.0° |
| C6 | C5 | C4 | H5 | 180.0° | 179.1° |
| C5 | C6 | C7 | C8 | 0.2° | 0.1° |
| C6 | C5 | C4 | C3 | 0.7° | 0.9° |
| C5 | C6 | C7 | H1 | 179.8° | 179.8° |
| C6 | C5 | C4 | H6 | 179.3° | 179.1° |
| C7 | C6 | C5 | C4 | 0.6° | 0.6° |
| C6 | C7 | C8 | H1 | 180.0° | 179.7° |
| C6 | C7 | C8 | C3 | 0.1° | 0.4° |
| C6 | C7 | C8 | H2 | 180.0° | 179.7° |
| C7 | C6 | C5 | H5 | 179.4° | 179.7° |
| C | C1 | N | H3 | 120.0° | 119.9° |
| C | C1 | N | H4 | 120.0° | 120.0° |
| C | C1 | N | S | 151.0° | 165.0° |
| C | C1 | H3 | H4 | 119.8° | 120.0° |
| C | C1 | N | H9 | 86.7° | 14.9° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H12 | 120.0° | 120.1° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| C1 | N | S | H9 | 122.3° | 180.0° |
| C1 | N | S | O | 37.6° | 51.0° |
| C1 | N | S | C2 | 82.3° | 65.0° |
| N | C1 | H3 | H4 | 119.9° | 120.0° |
| N | C1 | C | H10 | 180.0° | 180.0° |
| N | C1 | C | H11 | 60.0° | 60.1° |
| N | C1 | C | H12 | 60.0° | 59.9° |
| N | S | O | C2 | 125.5° | 111.7° |
| N | S | C2 | C3 | 40.0° | 180.0° |
| S | N | C1 | H3 | 31.0° | 75.0° |
| S | N | C1 | H4 | 88.9° | 45.0° |
| N | S | C2 | H7 | 79.5° | 60.0° |
| N | S | C2 | H8 | 159.4° | 60.0° |
| C5 | C4 | C3 | H6 | 180.0° | 180.0° |
| C5 | C4 | C3 | C8 | 0.4° | 0.6° |
| C5 | C4 | C3 | C2 | 177.0° | 179.4° |
| C7 | C8 | C3 | C4 | 0.0° | 0.0° |
| C7 | C8 | C3 | H2 | 180.0° | 180.0° |
| C7 | C8 | C3 | C2 | 177.5° | 180.0° |
| O | S | C2 | C3 | 156.2° | 68.4° |
| O | S | C2 | H7 | 36.7° | 171.6° |
| O | S | C2 | H8 | 84.3° | 51.6° |
| O | S | N | H9 | 84.6° | 129.0° |
| S | C2 | C3 | C4 | 116.8° | 90.1° |
| S | C2 | C3 | C8 | 60.7° | 90.0° |
| S | C2 | C3 | H7 | 119.5° | 120.0° |
| S | C2 | C3 | H8 | 119.5° | 120.0° |
| S | C2 | H7 | H8 | 121.5° | 120.0° |
| C2 | S | N | H9 | 155.4° | 115.0° |
| C4 | C3 | C8 | C2 | 177.5° | 180.0° |
| C4 | C3 | C8 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 179.4° | 179.9° |
| C4 | C3 | C2 | H7 | 123.8° | 30.0° |
| C4 | C3 | C2 | H8 | 2.7° | 150.0° |
| C3 | C8 | C7 | H1 | 179.9° | 180.0° |
| C8 | C3 | C4 | H6 | 179.6° | 179.4° |
| C8 | C3 | C2 | H7 | 58.7° | 150.0° |
| C8 | C3 | C2 | H8 | 179.8° | 30.0° |
| C2 | C3 | C8 | H2 | 2.6° | 0.0° |
| C2 | C3 | C4 | H6 | 3.0° | 0.5° |
| C3 | C2 | H7 | H8 | 121.5° | 120.0° |
| H1 | C7 | C8 | H2 | 0.1° | 0.0° |
| H3 | C1 | N | H9 | 153.2° | 105.0° |
| H3 | C1 | C | H10 | 60.0° | 60.1° |
| H3 | C1 | C | H11 | 60.0° | 180.0° |
| H3 | C1 | C | H12 | 180.0° | 60.0° |
| H4 | C1 | N | H9 | 33.3° | 135.0° |
| H4 | C1 | C | H10 | 59.9° | 60.0° |
| H4 | C1 | C | H11 | 179.9° | 60.0° |
| H4 | C1 | C | H12 | 60.1° | 180.0° |
| H5 | C5 | C4 | H6 | 0.6° | 0.0° |
| H10 | C | H11 | H12 | 120.0° | 120.0° |
