6WT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL4 | C08 | sing | 1.80Å | 1.72Å | |
| CL2 | C12 | sing | 1.74Å | 1.71Å | |
| CL3 | C08 | sing | 1.80Å | 1.74Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | CL5 | sing | 1.80Å | 1.73Å | |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C09 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C07 | sing | 1.51Å | 1.38Å | |
| C07 | C06 | sing | 1.51Å | 1.38Å | |
| C01 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.37Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.36Å | Aromatic |
| C03 | CL1 | sing | 1.74Å | 1.70Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL4 | C08 | CL3 | 107.3° | 109.4° |
| CL4 | C08 | CL5 | 94.6° | 109.4° |
| CL4 | C08 | C07 | 112.7° | 109.5° |
| CL2 | C12 | C11 | 120.9° | 120.0° |
| CL2 | C12 | C13 | 117.5° | 120.0° |
| CL3 | C08 | CL5 | 111.5° | 109.5° |
| CL3 | C08 | C07 | 109.1° | 109.5° |
| C12 | C11 | C10 | 119.4° | 120.0° |
| C11 | C12 | C13 | 121.6° | 120.0° |
| C12 | C11 | H7 | 120.3° | 120.1° |
| C11 | C10 | C09 | 118.3° | 120.0° |
| C11 | C10 | H6 | 120.9° | 120.1° |
| C10 | C11 | H7 | 120.3° | 119.9° |
| C12 | C13 | C14 | 119.8° | 119.9° |
| C12 | C13 | H8 | 120.1° | 120.1° |
| C10 | C09 | C14 | 122.3° | 120.0° |
| C10 | C09 | C07 | 117.0° | 120.0° |
| C09 | C10 | H6 | 120.8° | 120.0° |
| CL5 | C08 | C07 | 120.4° | 109.5° |
| C08 | C07 | C09 | 113.7° | 109.4° |
| C08 | C07 | C06 | 126.4° | 109.5° |
| C08 | C07 | H5 | 97.9° | 109.5° |
| C13 | C14 | C09 | 118.6° | 120.1° |
| C14 | C13 | H8 | 120.1° | 120.0° |
| C13 | C14 | H9 | 120.7° | 120.0° |
| C14 | C09 | C07 | 120.7° | 120.0° |
| C09 | C14 | H9 | 120.7° | 120.0° |
| C09 | C07 | C06 | 113.5° | 109.5° |
| C09 | C07 | H5 | 98.8° | 109.5° |
| C07 | C06 | C01 | 119.8° | 120.0° |
| C07 | C06 | C05 | 118.8° | 120.0° |
| C06 | C07 | H5 | 98.7° | 109.5° |
| C06 | C01 | C02 | 119.5° | 120.0° |
| C01 | C06 | C05 | 121.3° | 120.0° |
| C06 | C01 | H1 | 120.2° | 120.0° |
| C01 | C02 | C03 | 118.0° | 120.0° |
| C02 | C01 | H1 | 120.3° | 120.0° |
| C01 | C02 | H2 | 121.0° | 120.0° |
| C06 | C05 | C04 | 118.7° | 120.0° |
| C06 | C05 | H4 | 120.7° | 119.9° |
| C02 | C03 | C04 | 123.6° | 120.0° |
| C02 | C03 | CL1 | 120.2° | 120.0° |
| C03 | C02 | H2 | 121.0° | 120.1° |
| C05 | C04 | C03 | 118.8° | 120.0° |
| C05 | C04 | H3 | 120.6° | 120.0° |
| C04 | C05 | H4 | 120.7° | 120.1° |
| C04 | C03 | CL1 | 116.1° | 120.0° |
| C03 | C04 | H3 | 120.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL4 | C08 | CL3 | CL5 | 102.3° | 119.9° |
| CL4 | C08 | CL3 | C07 | 122.3° | 120.0° |
| CL4 | C08 | CL5 | C07 | 119.7° | 120.0° |
| CL4 | C08 | C07 | C09 | 75.3° | 173.3° |
| CL4 | C08 | C07 | C06 | 74.4° | 66.8° |
| CL4 | C08 | C07 | H5 | 178.6° | 53.3° |
| CL2 | C12 | C11 | C13 | 178.9° | 179.9° |
| CL2 | C12 | C11 | C10 | 179.4° | 180.0° |
| CL2 | C12 | C13 | C14 | 179.7° | 179.9° |
| CL2 | C12 | C11 | H7 | 0.6° | 0.1° |
| CL2 | C12 | C13 | H8 | 0.3° | 0.1° |
| CL3 | C08 | CL5 | C07 | 129.7° | 120.1° |
| CL3 | C08 | C07 | C09 | 43.7° | 53.3° |
| CL3 | C08 | C07 | C06 | 166.6° | 173.2° |
| CL3 | C08 | C07 | H5 | 59.5° | 66.7° |
| C12 | C11 | C10 | H7 | 180.0° | 179.9° |
| C12 | C11 | C10 | C09 | 0.1° | 0.0° |
| C11 | C12 | C13 | C14 | 1.4° | 0.0° |
| C12 | C11 | C10 | H6 | 179.9° | 179.9° |
| C11 | C12 | C13 | H8 | 178.6° | 180.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.0° |
| C11 | C10 | C09 | H6 | 180.0° | 179.9° |
| C11 | C10 | C09 | C14 | 0.5° | 0.0° |
| C11 | C10 | C09 | C07 | 179.3° | 179.7° |
| C12 | C13 | C14 | H8 | 180.0° | 180.0° |
| C12 | C13 | C14 | C09 | 1.7° | 0.0° |
| C13 | C12 | C11 | H7 | 179.5° | 180.0° |
| C12 | C13 | C14 | H9 | 178.2° | 179.7° |
| C10 | C09 | C07 | C08 | 98.7° | 169.9° |
| C10 | C09 | C14 | C13 | 1.3° | 0.0° |
| C10 | C09 | C14 | C07 | 179.8° | 179.7° |
| C10 | C09 | C07 | C06 | 55.1° | 70.1° |
| C10 | C09 | C07 | H5 | 158.7° | 50.0° |
| C09 | C10 | C11 | H7 | 179.9° | 180.0° |
| C10 | C09 | C14 | H9 | 178.6° | 179.7° |
| CL5 | C08 | C07 | C09 | 174.5° | 66.8° |
| CL5 | C08 | C07 | C06 | 35.8° | 53.2° |
| CL5 | C08 | C07 | H5 | 71.2° | 173.2° |
| C08 | C07 | C09 | C14 | 81.5° | 9.8° |
| C08 | C07 | C09 | C06 | 153.8° | 120.0° |
| C08 | C07 | C09 | H5 | 102.7° | 120.0° |
| C08 | C07 | C06 | H5 | 106.6° | 120.0° |
| C08 | C07 | C06 | C01 | 42.0° | 75.3° |
| C08 | C07 | C06 | C05 | 141.3° | 104.7° |
| C13 | C14 | C09 | H9 | 180.0° | 179.8° |
| C13 | C14 | C09 | C07 | 178.5° | 179.8° |
| C14 | C09 | C07 | C06 | 124.7° | 110.2° |
| C14 | C09 | C07 | H5 | 21.1° | 129.8° |
| C14 | C09 | C10 | H6 | 179.5° | 179.9° |
| C09 | C14 | C13 | H8 | 178.3° | 180.0° |
| C09 | C07 | C06 | H5 | 103.6° | 120.0° |
| C09 | C07 | C06 | C01 | 107.8° | 44.7° |
| C09 | C07 | C06 | C05 | 68.9° | 135.4° |
| C07 | C09 | C10 | H6 | 0.7° | 0.3° |
| C07 | C09 | C14 | H9 | 1.5° | 0.0° |
| C07 | C06 | C01 | C05 | 176.6° | 180.0° |
| C07 | C06 | C01 | C02 | 179.4° | 180.0° |
| C07 | C06 | C05 | C04 | 179.4° | 180.0° |
| C07 | C06 | C01 | H1 | 0.6° | 0.2° |
| C07 | C06 | C05 | H4 | 0.6° | 0.0° |
| C06 | C01 | C02 | H1 | 180.0° | 179.8° |
| C06 | C01 | C02 | C03 | 1.5° | 0.1° |
| C01 | C06 | C05 | C04 | 2.8° | 0.0° |
| C06 | C01 | C02 | H2 | 178.5° | 180.0° |
| C01 | C06 | C05 | H4 | 177.2° | 180.0° |
| C01 | C06 | C07 | H5 | 148.6° | 164.7° |
| C02 | C01 | C06 | C05 | 2.8° | 0.1° |
| C01 | C02 | C03 | H2 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.3° | 0.0° |
| C01 | C02 | C03 | CL1 | 179.9° | 179.9° |
| C06 | C05 | C04 | H4 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 1.5° | 0.0° |
| C05 | C06 | C01 | H1 | 177.2° | 179.7° |
| C06 | C05 | C04 | H3 | 178.5° | 180.0° |
| C05 | C06 | C07 | H5 | 34.7° | 15.4° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C02 | C03 | C04 | CL1 | 179.7° | 180.0° |
| C03 | C02 | C01 | H1 | 178.5° | 179.7° |
| C02 | C03 | C04 | H3 | 179.7° | 180.0° |
| C05 | C04 | C03 | H3 | 180.0° | 180.0° |
| C05 | C04 | C03 | CL1 | 180.0° | 180.0° |
| C04 | C03 | C02 | H2 | 179.7° | 180.0° |
| C03 | C04 | C05 | H4 | 178.5° | 180.0° |
| CL1 | C03 | C02 | H2 | 0.1° | 0.0° |
| CL1 | C03 | C04 | H3 | 0.0° | 0.1° |
| H1 | C01 | C02 | H2 | 1.5° | 0.3° |
| H3 | C04 | C05 | H4 | 1.5° | 0.0° |
| H6 | C10 | C11 | H7 | 0.1° | 0.0° |
| H8 | C13 | C14 | H9 | 1.8° | 0.3° |
