WMW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | O11 | doub | 1.21Å | 1.26Å | |
| C8 | C12 | sing | 1.38Å | 1.36Å | Aromatic |
| C10 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | F15 | sing | 1.35Å | 1.35Å | |
| C3 | O17 | sing | 1.34Å | 1.28Å | |
| C13 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | C20 | doub | 1.39Å | 1.37Å | Aromatic |
| C1 | C21 | sing | 1.53Å | 1.53Å | |
| C14 | O22 | sing | 1.36Å | 1.39Å | |
| C21 | C23 | sing | 1.53Å | 1.49Å | |
| O22 | C23 | sing | 1.43Å | 1.39Å | |
| C1 | C24 | sing | 1.53Å | 1.51Å | |
| C10 | H27 | sing | 1.08Å | 1.08Å | |
| C13 | H29 | sing | 1.08Å | 1.08Å | |
| C20 | H31 | sing | 1.08Å | 1.08Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.08Å | 1.08Å | |
| C7 | H26 | sing | 1.08Å | 1.08Å | |
| C12 | H28 | sing | 1.08Å | 1.08Å | |
| O17 | H5 | sing | 0.97Å | 0.95Å | |
| CL19 | C9 | sing | 1.74Å | 1.68Å | |
| CL16 | C6 | sing | 1.74Å | 1.70Å | |
| CL18 | C8 | sing | 1.74Å | 1.76Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 104.2° | 109.5° |
| C1 | C2 | C4 | 126.0° | 120.0° |
| C1 | C2 | C10 | 118.3° | 119.9° |
| C2 | C1 | C21 | 111.6° | 109.5° |
| C2 | C1 | C24 | 109.6° | 109.5° |
| C1 | C3 | O11 | 121.2° | 120.0° |
| C1 | C3 | O17 | 120.2° | 120.0° |
| C3 | C1 | C21 | 110.2° | 109.5° |
| C3 | C1 | C24 | 108.2° | 109.5° |
| C2 | C4 | C6 | 123.1° | 120.0° |
| C4 | C2 | C10 | 115.4° | 120.1° |
| C2 | C4 | H25 | 118.5° | 120.0° |
| C4 | C6 | C8 | 119.2° | 120.0° |
| C6 | C4 | H25 | 118.4° | 120.1° |
| C4 | C6 | CL16 | 123.2° | 120.0° |
| C7 | C5 | C9 | 116.0° | 120.0° |
| C5 | C7 | C14 | 123.3° | 119.9° |
| C7 | C5 | F15 | 118.9° | 120.0° |
| C5 | C7 | H26 | 118.4° | 120.0° |
| C6 | C8 | C12 | 117.5° | 120.0° |
| C8 | C6 | CL16 | 117.6° | 120.1° |
| C6 | C8 | CL18 | 122.4° | 120.0° |
| C5 | C9 | C13 | 123.3° | 120.1° |
| C9 | C5 | F15 | 125.0° | 120.0° |
| C5 | C9 | CL19 | 120.9° | 120.0° |
| C2 | C10 | C12 | 122.9° | 120.0° |
| C2 | C10 | H27 | 118.6° | 120.0° |
| O11 | C3 | O17 | 118.6° | 120.0° |
| C8 | C12 | C10 | 121.7° | 120.0° |
| C8 | C12 | H28 | 119.2° | 120.0° |
| C12 | C8 | CL18 | 120.1° | 120.0° |
| C12 | C10 | H27 | 118.6° | 119.9° |
| C10 | C12 | H28 | 119.1° | 120.0° |
| C9 | C13 | C20 | 118.4° | 120.0° |
| C9 | C13 | H29 | 120.8° | 120.0° |
| C13 | C9 | CL19 | 115.8° | 120.0° |
| C7 | C14 | C20 | 119.7° | 119.9° |
| C7 | C14 | O22 | 116.8° | 120.0° |
| C14 | C7 | H26 | 118.4° | 120.1° |
| C3 | O17 | H5 | 109.5° | 117.0° |
| C13 | C20 | C14 | 119.3° | 120.0° |
| C20 | C13 | H29 | 120.8° | 120.0° |
| C13 | C20 | H31 | 120.3° | 120.0° |
| C20 | C14 | O22 | 123.5° | 120.0° |
| C14 | C20 | H31 | 120.3° | 120.0° |
| C1 | C21 | C23 | 112.8° | 109.5° |
| C21 | C1 | C24 | 112.7° | 109.4° |
| C1 | C21 | H33 | 108.6° | 109.5° |
| C1 | C21 | H32 | 108.6° | 109.5° |
| C14 | O22 | C23 | 126.0° | 117.0° |
| C21 | C23 | O22 | 110.9° | 109.5° |
| C23 | C21 | H33 | 108.6° | 109.5° |
| C23 | C21 | H32 | 108.6° | 109.4° |
| C21 | C23 | H35 | 109.1° | 109.4° |
| C21 | C23 | H34 | 109.1° | 109.4° |
| O22 | C23 | H35 | 109.1° | 109.5° |
| O22 | C23 | H34 | 109.1° | 109.5° |
| C1 | C24 | H37 | 109.5° | 109.4° |
| C1 | C24 | H38 | 109.5° | 109.5° |
| C1 | C24 | H36 | 109.5° | 109.5° |
| H33 | C21 | H32 | 109.5° | 109.5° |
| H35 | C23 | H34 | 109.5° | 109.5° |
| H37 | C24 | H38 | 109.4° | 109.4° |
| H37 | C24 | H36 | 109.4° | 109.5° |
| H38 | C24 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C21 | 119.8° | 120.1° |
| C2 | C1 | C3 | C24 | 116.6° | 120.0° |
| C1 | C2 | C4 | C10 | 174.4° | 180.0° |
| C1 | C2 | C4 | C6 | 178.0° | 180.0° |
| C2 | C1 | C3 | O11 | 122.2° | 120.0° |
| C1 | C2 | C10 | C12 | 176.4° | 180.0° |
| C2 | C1 | C3 | O17 | 58.0° | 60.0° |
| C2 | C1 | C21 | C24 | 123.8° | 120.0° |
| C2 | C1 | C21 | C23 | 74.4° | 180.0° |
| C1 | C2 | C10 | H27 | 3.6° | 0.3° |
| C2 | C1 | C21 | H33 | 165.1° | 60.0° |
| C2 | C1 | C21 | H32 | 46.1° | 60.0° |
| C2 | C1 | C24 | H37 | 180.0° | 60.0° |
| C2 | C1 | C24 | H38 | 60.0° | 180.0° |
| C2 | C1 | C24 | H36 | 60.0° | 60.0° |
| C1 | C2 | C4 | H25 | 2.0° | 0.0° |
| C3 | C1 | C2 | C4 | 111.1° | 60.0° |
| C3 | C1 | C2 | C10 | 63.2° | 120.0° |
| C1 | C3 | O11 | O17 | 179.8° | 179.9° |
| C3 | C1 | C21 | C24 | 120.9° | 120.0° |
| C3 | C1 | C21 | C23 | 170.4° | 60.0° |
| C3 | C1 | C21 | H33 | 49.9° | 180.0° |
| C3 | C1 | C21 | H32 | 69.2° | 60.0° |
| C3 | C1 | C24 | H37 | 67.0° | 60.0° |
| C3 | C1 | C24 | H38 | 173.1° | 59.9° |
| C3 | C1 | C24 | H36 | 53.0° | 180.0° |
| C1 | C3 | O17 | H5 | 179.8° | 180.0° |
| C2 | C4 | C6 | H25 | 180.0° | 180.0° |
| C2 | C4 | C6 | C8 | 2.4° | 0.1° |
| C4 | C2 | C10 | C12 | 1.5° | 0.0° |
| C4 | C2 | C1 | C21 | 130.0° | 180.0° |
| C4 | C2 | C1 | C24 | 4.5° | 60.0° |
| C4 | C2 | C10 | H27 | 178.5° | 179.7° |
| C2 | C4 | C6 | CL16 | 180.0° | 180.0° |
| C4 | C6 | C8 | CL16 | 177.8° | 179.9° |
| C6 | C4 | C2 | C10 | 3.5° | 0.0° |
| C4 | C6 | C8 | C12 | 1.1° | 0.1° |
| C4 | C6 | C8 | CL18 | 178.7° | 180.0° |
| C7 | C5 | C9 | F15 | 178.2° | 179.2° |
| C7 | C5 | C9 | C13 | 0.0° | 0.5° |
| C5 | C7 | C14 | H26 | 180.0° | 179.2° |
| C5 | C7 | C14 | C20 | 1.7° | 0.5° |
| C5 | C7 | C14 | O22 | 179.9° | 179.9° |
| C7 | C5 | C9 | CL19 | 178.9° | 179.5° |
| C6 | C8 | C12 | CL18 | 177.7° | 179.9° |
| C6 | C8 | C12 | C10 | 3.1° | 0.1° |
| C8 | C6 | C4 | H25 | 177.6° | 180.0° |
| C6 | C8 | C12 | H28 | 176.9° | 179.8° |
| C5 | C9 | C13 | CL19 | 179.0° | 180.0° |
| C9 | C5 | C7 | C14 | 0.8° | 0.8° |
| C5 | C9 | C13 | C20 | 0.1° | 0.0° |
| C5 | C9 | C13 | H29 | 179.9° | 179.7° |
| C9 | C5 | C7 | H26 | 179.2° | 180.0° |
| C2 | C10 | C12 | C8 | 1.8° | 0.0° |
| C2 | C10 | C12 | H27 | 180.0° | 179.7° |
| C10 | C2 | C1 | C21 | 55.7° | 0.0° |
| C10 | C2 | C1 | C24 | 178.7° | 120.0° |
| C10 | C2 | C4 | H25 | 176.4° | 180.0° |
| C2 | C10 | C12 | H28 | 178.2° | 179.7° |
| O11 | C3 | C1 | C21 | 2.4° | 120.0° |
| O11 | C3 | C1 | C24 | 121.2° | 0.0° |
| O11 | C3 | O17 | H5 | 0.0° | 0.0° |
| C8 | C12 | C10 | H28 | 180.0° | 179.7° |
| C8 | C12 | C10 | H27 | 178.2° | 179.7° |
| C12 | C8 | C6 | CL16 | 176.7° | 180.0° |
| C10 | C12 | C8 | CL18 | 179.2° | 180.0° |
| C13 | C9 | C5 | F15 | 178.2° | 179.7° |
| C9 | C13 | C20 | H29 | 180.0° | 179.7° |
| C9 | C13 | C20 | C14 | 1.0° | 0.3° |
| C9 | C13 | C20 | H31 | 179.0° | 179.7° |
| C14 | C7 | C5 | F15 | 179.1° | 180.0° |
| C7 | C14 | C20 | C13 | 1.7° | 0.0° |
| C7 | C14 | C20 | O22 | 178.4° | 179.4° |
| C7 | C14 | O22 | C23 | 168.6° | 180.0° |
| C7 | C14 | C20 | H31 | 178.3° | 180.0° |
| F15 | C5 | C7 | H26 | 0.9° | 0.8° |
| F15 | C5 | C9 | CL19 | 0.7° | 0.3° |
| O17 | C3 | C1 | C21 | 177.8° | 60.1° |
| O17 | C3 | C1 | C24 | 58.6° | 180.0° |
| C13 | C20 | C14 | H31 | 180.0° | 180.0° |
| C13 | C20 | C14 | O22 | 179.9° | 179.4° |
| C20 | C13 | C9 | CL19 | 178.9° | 180.0° |
| C20 | C14 | O22 | C23 | 9.8° | 0.6° |
| C14 | C20 | C13 | H29 | 179.0° | 180.0° |
| C20 | C14 | C7 | H26 | 178.3° | 179.7° |
| C1 | C21 | C23 | H33 | 120.5° | 120.0° |
| C1 | C21 | C23 | H32 | 120.5° | 120.0° |
| C1 | C21 | C23 | O22 | 53.6° | 180.0° |
| C1 | C21 | H33 | H32 | 118.5° | 120.0° |
| C1 | C21 | C23 | H35 | 66.6° | 60.0° |
| C1 | C21 | C23 | H34 | 173.8° | 60.0° |
| C21 | C1 | C24 | H37 | 55.1° | 180.0° |
| C21 | C1 | C24 | H38 | 64.9° | 60.0° |
| C21 | C1 | C24 | H36 | 175.1° | 60.0° |
| C14 | O22 | C23 | C21 | 140.0° | 180.0° |
| O22 | C14 | C20 | H31 | 0.1° | 0.6° |
| C14 | O22 | C23 | H35 | 19.8° | 60.0° |
| C14 | O22 | C23 | H34 | 99.8° | 60.0° |
| O22 | C14 | C7 | H26 | 0.2° | 0.9° |
| C21 | C23 | O22 | H35 | 120.2° | 120.0° |
| C21 | C23 | O22 | H34 | 120.2° | 120.0° |
| C23 | C21 | C1 | C24 | 49.5° | 60.0° |
| C23 | C21 | H33 | H32 | 118.5° | 119.9° |
| C21 | C23 | H35 | H34 | 119.3° | 119.9° |
| O22 | C23 | C21 | H33 | 174.0° | 60.0° |
| O22 | C23 | C21 | H32 | 66.9° | 60.0° |
| O22 | C23 | H35 | H34 | 119.4° | 120.0° |
| C24 | C1 | C21 | H33 | 71.0° | 60.0° |
| C24 | C1 | C21 | H32 | 169.9° | 180.0° |
| C1 | C24 | H37 | H38 | 120.0° | 120.0° |
| C1 | C24 | H37 | H36 | 120.0° | 120.0° |
| C1 | C24 | H38 | H36 | 120.0° | 120.0° |
| H27 | C10 | C12 | H28 | 1.8° | 0.0° |
| H29 | C13 | C20 | H31 | 0.9° | 0.1° |
| H29 | C13 | C9 | CL19 | 1.1° | 0.3° |
| H33 | C21 | C23 | H35 | 53.8° | 60.1° |
| H33 | C21 | C23 | H34 | 65.8° | 180.0° |
| H32 | C21 | C23 | H35 | 172.9° | 180.0° |
| H32 | C21 | C23 | H34 | 53.3° | 60.0° |
| H37 | C24 | H38 | H36 | 120.0° | 120.0° |
| H25 | C4 | C6 | CL16 | 0.0° | 0.1° |
| H28 | C12 | C8 | CL18 | 0.8° | 0.3° |
| CL16 | C6 | C8 | CL18 | 0.9° | 0.1° |
