6WS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL3 | C14 | sing | 1.74Å | 1.73Å | |
| CL4 | C14 | sing | 1.74Å | 1.70Å | |
| C14 | C06 | doub | 1.34Å | 1.32Å | |
| C06 | C05 | sing | 1.48Å | 1.47Å | |
| C06 | C07 | sing | 1.48Å | 1.49Å | |
| C05 | C04 | doub | 1.39Å | 1.34Å | Aromatic |
| C05 | C17 | sing | 1.39Å | 1.34Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.35Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.37Å | Aromatic |
| C07 | C13 | sing | 1.39Å | 1.35Å | Aromatic |
| C18 | C02 | sing | 1.38Å | 1.34Å | Aromatic |
| C02 | CL1 | sing | 1.74Å | 1.73Å | |
| C09 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.35Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.35Å | Aromatic |
| C10 | CL2 | sing | 1.74Å | 1.70Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C08 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL3 | C14 | CL4 | 118.1° | 120.0° |
| CL3 | C14 | C06 | 119.5° | 120.0° |
| CL4 | C14 | C06 | 122.4° | 120.0° |
| C14 | C06 | C05 | 119.3° | 120.0° |
| C14 | C06 | C07 | 125.6° | 120.0° |
| C05 | C06 | C07 | 115.0° | 120.0° |
| C06 | C05 | C04 | 124.5° | 120.1° |
| C06 | C05 | C17 | 114.3° | 120.1° |
| C06 | C07 | C08 | 126.0° | 120.1° |
| C06 | C07 | C13 | 111.9° | 120.1° |
| C04 | C05 | C17 | 121.2° | 119.8° |
| C05 | C04 | C03 | 117.9° | 119.9° |
| C05 | C04 | H2 | 121.0° | 120.1° |
| C05 | C17 | C18 | 121.1° | 119.9° |
| C05 | C17 | H7 | 119.5° | 120.0° |
| C04 | C03 | C02 | 120.5° | 120.1° |
| C04 | C03 | H1 | 119.8° | 120.0° |
| C03 | C04 | H2 | 121.1° | 120.0° |
| C07 | C08 | C09 | 118.0° | 119.9° |
| C08 | C07 | C13 | 122.0° | 119.8° |
| C07 | C08 | H3 | 121.0° | 120.1° |
| C08 | C09 | C10 | 118.6° | 120.1° |
| C09 | C08 | H3 | 121.0° | 120.0° |
| C08 | C09 | H4 | 120.7° | 120.0° |
| C17 | C18 | C02 | 119.6° | 120.1° |
| C18 | C17 | H7 | 119.4° | 120.1° |
| C17 | C18 | H8 | 120.2° | 119.9° |
| C03 | C02 | C18 | 119.8° | 120.2° |
| C03 | C02 | CL1 | 122.6° | 119.9° |
| C02 | C03 | H1 | 119.7° | 119.9° |
| C07 | C13 | C12 | 119.9° | 119.9° |
| C07 | C13 | H6 | 120.1° | 120.1° |
| C18 | C02 | CL1 | 117.6° | 119.9° |
| C02 | C18 | H8 | 120.2° | 120.0° |
| C09 | C10 | C12 | 122.6° | 120.2° |
| C09 | C10 | CL2 | 122.5° | 119.9° |
| C10 | C09 | H4 | 120.7° | 119.9° |
| C13 | C12 | C10 | 118.9° | 120.1° |
| C13 | C12 | H5 | 120.5° | 120.0° |
| C12 | C13 | H6 | 120.1° | 120.1° |
| C12 | C10 | CL2 | 114.9° | 119.9° |
| C10 | C12 | H5 | 120.6° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL3 | C14 | CL4 | C06 | 178.8° | 180.0° |
| CL3 | C14 | C06 | C05 | 1.9° | 180.0° |
| CL3 | C14 | C06 | C07 | 177.5° | 0.0° |
| CL4 | C14 | C06 | C05 | 179.3° | 0.0° |
| CL4 | C14 | C06 | C07 | 1.3° | 180.0° |
| C14 | C06 | C05 | C07 | 179.5° | NaN° |
| C14 | C06 | C05 | C04 | 52.0° | 65.0° |
| C14 | C06 | C05 | C17 | 127.3° | 115.0° |
| C14 | C06 | C07 | C08 | 61.7° | 114.8° |
| C14 | C06 | C07 | C13 | 120.2° | 65.0° |
| C06 | C05 | C04 | C17 | 179.3° | 180.0° |
| C06 | C05 | C04 | C03 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 118.9° | 65.2° |
| C06 | C05 | C17 | C18 | 179.3° | 179.7° |
| C05 | C06 | C07 | C13 | 59.3° | 115.0° |
| C06 | C05 | C04 | H2 | 0.0° | 0.0° |
| C06 | C05 | C17 | H7 | 0.7° | 0.0° |
| C07 | C06 | C05 | C04 | 127.5° | 115.0° |
| C07 | C06 | C05 | C17 | 53.2° | 65.0° |
| C06 | C07 | C08 | C13 | 178.0° | 179.8° |
| C06 | C07 | C08 | C09 | 179.4° | 180.0° |
| C06 | C07 | C13 | C12 | 179.7° | 179.8° |
| C06 | C07 | C08 | H3 | 0.6° | 0.0° |
| C06 | C07 | C13 | H6 | 0.3° | 0.0° |
| C05 | C04 | C03 | H2 | 180.0° | 180.0° |
| C04 | C05 | C17 | C18 | 1.3° | 0.3° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C05 | C04 | C03 | H1 | 179.9° | 180.0° |
| C04 | C05 | C17 | H7 | 178.7° | 180.0° |
| C17 | C05 | C04 | C03 | 0.8° | 0.1° |
| C05 | C17 | C18 | H7 | 180.0° | 179.7° |
| C05 | C17 | C18 | C02 | 1.0° | 0.6° |
| C17 | C05 | C04 | H2 | 179.2° | 180.0° |
| C05 | C17 | C18 | H8 | 179.0° | 179.9° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C04 | C03 | C02 | C18 | 0.4° | 0.3° |
| C04 | C03 | C02 | CL1 | 178.8° | 180.0° |
| C07 | C08 | C09 | H3 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 0.0° | 0.1° |
| C08 | C07 | C13 | C12 | 1.5° | 0.5° |
| C07 | C08 | C09 | H4 | 180.0° | 180.0° |
| C08 | C07 | C13 | H6 | 178.5° | 179.8° |
| C09 | C08 | C07 | C13 | 1.4° | 0.2° |
| C08 | C09 | C10 | H4 | 180.0° | 180.0° |
| C08 | C09 | C10 | C12 | 1.3° | 0.1° |
| C08 | C09 | C10 | CL2 | 179.2° | 180.0° |
| C17 | C18 | C02 | C03 | 0.1° | 0.6° |
| C17 | C18 | C02 | H8 | 180.0° | 179.5° |
| C17 | C18 | C02 | CL1 | 178.4° | 179.7° |
| C03 | C02 | C18 | CL1 | 178.5° | 179.7° |
| C02 | C03 | C04 | H2 | 179.9° | 180.0° |
| C03 | C02 | C18 | H8 | 179.9° | 180.0° |
| C07 | C13 | C12 | H6 | 180.0° | 179.7° |
| C07 | C13 | C12 | C10 | 0.1° | 0.5° |
| C13 | C07 | C08 | H3 | 178.6° | 179.7° |
| C07 | C13 | C12 | H5 | 179.9° | 179.8° |
| C18 | C02 | C03 | H1 | 179.6° | 179.7° |
| C02 | C18 | C17 | H7 | 179.0° | 179.7° |
| CL1 | C02 | C03 | H1 | 1.2° | 0.0° |
| CL1 | C02 | C18 | H8 | 1.7° | 0.2° |
| C09 | C10 | C12 | C13 | 1.2° | 0.2° |
| C09 | C10 | C12 | CL2 | 179.6° | 179.9° |
| C10 | C09 | C08 | H3 | 180.0° | 180.0° |
| C09 | C10 | C12 | H5 | 178.8° | 180.0° |
| C13 | C12 | C10 | H5 | 180.0° | 179.7° |
| C13 | C12 | C10 | CL2 | 179.2° | 179.7° |
| C12 | C10 | C09 | H4 | 178.7° | 180.0° |
| C10 | C12 | C13 | H6 | 179.8° | 179.8° |
| CL2 | C10 | C09 | H4 | 0.9° | 0.0° |
| CL2 | C10 | C12 | H5 | 0.8° | 0.0° |
| H1 | C03 | C04 | H2 | 0.1° | 0.0° |
| H3 | C08 | C09 | H4 | 0.0° | 0.0° |
| H5 | C12 | C13 | H6 | 0.1° | 0.0° |
| H7 | C17 | C18 | H8 | 1.0° | 0.2° |
