KSW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | sing | 1.49Å | 1.51Å | |
| C5 | C4 | doub | 1.34Å | 1.52Å | |
| O1 | C6 | doub | 1.21Å | 1.24Å | |
| C6 | C2 | sing | 1.49Å | 1.47Å | |
| C4 | C3 | sing | 1.48Å | 1.50Å | |
| C2 | C3 | doub | 1.33Å | 1.34Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 104.5° | 107.3° |
| C5 | C6 | O1 | 125.6° | 127.0° |
| C5 | C6 | C2 | 108.6° | 106.0° |
| C6 | C5 | H6 | 127.7° | 126.4° |
| C5 | C4 | C3 | 104.9° | 109.7° |
| C5 | C4 | H5 | 127.6° | 125.2° |
| C4 | C5 | H6 | 127.7° | 126.4° |
| O1 | C6 | C2 | 125.7° | 127.0° |
| C6 | C2 | C3 | 108.7° | 107.3° |
| C6 | C2 | C1 | 119.8° | 126.3° |
| C4 | C3 | C2 | 112.6° | 109.7° |
| C4 | C3 | H4 | 123.7° | 125.1° |
| C3 | C4 | H5 | 127.5° | 125.1° |
| C3 | C2 | C1 | 131.5° | 126.4° |
| C2 | C3 | H4 | 123.7° | 125.2° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | H6 | 180.0° | 179.6° |
| C5 | C6 | O1 | C2 | 178.7° | 179.5° |
| C6 | C5 | C4 | C3 | 1.9° | 0.3° |
| C5 | C6 | C2 | C3 | 6.5° | 0.4° |
| C5 | C6 | C2 | C1 | 173.5° | 179.9° |
| C6 | C5 | C4 | H5 | 178.1° | 179.8° |
| C4 | C5 | C6 | O1 | 178.6° | 180.0° |
| C4 | C5 | C6 | C2 | 2.5° | 0.4° |
| C5 | C4 | C3 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 6.3° | 0.0° |
| C5 | C4 | C3 | H4 | 173.7° | 179.9° |
| O1 | C6 | C2 | C3 | 174.6° | 180.0° |
| O1 | C6 | C2 | C1 | 5.4° | 0.2° |
| O1 | C6 | C5 | H6 | 1.4° | 0.4° |
| C6 | C2 | C3 | C4 | 8.0° | 0.2° |
| C6 | C2 | C3 | C1 | 180.0° | 179.7° |
| C6 | C2 | C1 | H1 | 180.0° | 90.3° |
| C6 | C2 | C1 | H2 | 60.0° | 29.7° |
| C6 | C2 | C1 | H3 | 60.0° | 149.7° |
| C6 | C2 | C3 | H4 | 172.0° | 179.8° |
| C2 | C6 | C5 | H6 | 177.5° | 180.0° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 172.0° | 180.0° |
| C3 | C4 | C5 | H6 | 178.1° | 179.8° |
| C3 | C2 | C1 | H1 | 0.1° | 90.0° |
| C3 | C2 | C1 | H2 | 120.0° | 150.0° |
| C3 | C2 | C1 | H3 | 119.9° | 30.0° |
| C2 | C3 | C4 | H5 | 173.7° | 179.9° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 8.0° | 0.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 6.3° | 0.0° |
| H5 | C4 | C5 | H6 | 1.9° | 0.2° |
