K5W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | F | sing | 1.35Å | 1.35Å | |
| C4 | C5 | doub | 1.39Å | 1.36Å | Aromatic |
| C | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C | S | sing | 1.76Å | 1.77Å | |
| C5 | F1 | sing | 1.35Å | 1.36Å | |
| N | S | sing | 1.66Å | 1.59Å | |
| O1 | S | doub | 1.42Å | 1.44Å | |
| S | O | doub | 1.42Å | 1.43Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| N | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 121.3° | 120.1° |
| C2 | C3 | C4 | 118.1° | 120.0° |
| C3 | C2 | H2 | 119.3° | 120.0° |
| C2 | C3 | H3 | 121.0° | 120.0° |
| C2 | C1 | C | 120.1° | 120.1° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C1 | C2 | H2 | 119.4° | 120.0° |
| C3 | C4 | F | 119.9° | 120.0° |
| C3 | C4 | C5 | 120.8° | 119.9° |
| C4 | C3 | H3 | 121.0° | 120.0° |
| C1 | C | C5 | 117.1° | 120.0° |
| C1 | C | S | 121.4° | 120.0° |
| C | C1 | H1 | 120.0° | 120.0° |
| F | C4 | C5 | 119.3° | 120.0° |
| C4 | C5 | C | 122.6° | 120.0° |
| C4 | C5 | F1 | 117.5° | 120.1° |
| C5 | C | S | 121.5° | 120.1° |
| C | C5 | F1 | 119.9° | 120.0° |
| C | S | N | 106.7° | 107.2° |
| C | S | O1 | 103.5° | 106.5° |
| C | S | O | 105.8° | 106.4° |
| N | S | O1 | 110.9° | 106.4° |
| N | S | O | 110.8° | 106.3° |
| S | N | H4 | 109.5° | 120.0° |
| S | N | H5 | 109.4° | 120.0° |
| O1 | S | O | 118.1° | 123.2° |
| H4 | N | H5 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C3 | C2 | C1 | C | 0.1° | 0.0° |
| C2 | C3 | C4 | F | 177.3° | 180.0° |
| C2 | C3 | C4 | C5 | 1.0° | 0.1° |
| C3 | C2 | C1 | H1 | 179.9° | 179.8° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C | H1 | 180.0° | 179.8° |
| C2 | C1 | C | C5 | 1.2° | 0.1° |
| C2 | C1 | C | S | 177.9° | 179.7° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C3 | C4 | F | C5 | 178.4° | 179.9° |
| C3 | C4 | C5 | C | 2.3° | 0.0° |
| C3 | C4 | C5 | F1 | 178.9° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C1 | C | C5 | C4 | 2.3° | 0.0° |
| C1 | C | C5 | S | 176.7° | 179.7° |
| C1 | C | C5 | F1 | 178.9° | 180.0° |
| C1 | C | S | N | 0.5° | 115.0° |
| C1 | C | S | O1 | 117.6° | 1.5° |
| C1 | C | S | O | 117.6° | 131.5° |
| C | C1 | C2 | H2 | 179.8° | 180.0° |
| F | C4 | C5 | C | 176.1° | 179.9° |
| F | C4 | C5 | F1 | 2.8° | 0.0° |
| F | C4 | C3 | H3 | 2.7° | 0.1° |
| C4 | C5 | C | F1 | 178.8° | 180.0° |
| C4 | C5 | C | S | 179.0° | 179.7° |
| C5 | C4 | C3 | H3 | 179.0° | 180.0° |
| C5 | C | S | N | 176.0° | 65.3° |
| C5 | C | S | O1 | 59.0° | 178.8° |
| C5 | C | S | O | 65.9° | 48.2° |
| C5 | C | C1 | H1 | 178.8° | 179.7° |
| S | C | C5 | F1 | 2.1° | 0.3° |
| C | S | N | O1 | 112.1° | 113.6° |
| C | S | N | O | 114.7° | 113.5° |
| C | S | O1 | O | 116.5° | 123.0° |
| S | C | C1 | H1 | 2.1° | 0.1° |
| C | S | N | H4 | 180.0° | 0.0° |
| C | S | N | H5 | 60.0° | 180.0° |
| N | S | O1 | O | 129.4° | 122.8° |
| S | N | H4 | H5 | 120.0° | 180.0° |
| O1 | S | N | H4 | 67.9° | 113.6° |
| O1 | S | N | H5 | 52.1° | 66.4° |
| O | S | N | H4 | 65.3° | 113.6° |
| O | S | N | H5 | 174.7° | 66.5° |
| H1 | C1 | C2 | H2 | 0.2° | 0.2° |
| H2 | C2 | C3 | H3 | 0.0° | 0.0° |
