CW6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C8 | sing | 1.36Å | 1.38Å | |
| C8 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| F18 | C7 | sing | 1.35Å | 1.31Å | |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C4 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C5 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C15 | doub | 1.38Å | 1.44Å | Aromatic |
| C13 | O2 | sing | 1.36Å | 1.40Å | |
| C13 | C14 | doub | 1.39Å | 1.44Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C8 | C7 | 118.6° | 120.1° |
| O1 | C8 | C9 | 122.7° | 120.1° |
| C8 | O1 | H4 | 109.5° | 114.0° |
| C7 | C8 | C9 | 118.7° | 119.8° |
| C8 | C7 | F18 | 118.1° | 120.0° |
| C8 | C7 | C6 | 124.6° | 120.0° |
| C8 | C9 | C10 | 116.4° | 120.0° |
| C8 | C9 | H3 | 121.8° | 120.0° |
| F18 | C7 | C6 | 117.4° | 120.1° |
| C7 | C6 | C1 | 117.6° | 120.0° |
| C7 | C6 | H1 | 121.2° | 120.0° |
| C9 | C10 | C1 | 124.3° | 120.1° |
| C9 | C10 | H2 | 117.8° | 119.9° |
| C10 | C9 | H3 | 121.8° | 120.0° |
| C6 | C1 | C10 | 118.4° | 120.1° |
| C6 | C1 | C2 | 118.6° | 119.9° |
| C1 | C6 | H1 | 121.2° | 120.0° |
| C10 | C1 | C2 | 123.0° | 120.0° |
| C1 | C10 | H2 | 117.9° | 120.0° |
| C1 | C2 | C4 | 109.4° | 109.5° |
| C1 | C2 | C3 | 112.1° | 109.5° |
| C1 | C2 | C5 | 111.2° | 109.5° |
| C12 | C11 | C4 | 120.3° | 120.1° |
| C11 | C12 | C13 | 121.7° | 119.9° |
| C12 | C11 | H11 | 119.9° | 119.9° |
| C11 | C12 | H12 | 119.1° | 120.1° |
| C11 | C4 | C2 | 118.2° | 119.9° |
| C11 | C4 | C15 | 118.2° | 120.1° |
| C4 | C11 | H11 | 119.9° | 120.0° |
| C4 | C2 | C3 | 114.3° | 109.5° |
| C4 | C2 | C5 | 107.8° | 109.5° |
| C2 | C4 | C15 | 123.6° | 119.9° |
| C3 | C2 | C5 | 101.7° | 109.5° |
| C2 | C3 | H8 | 109.5° | 109.5° |
| C2 | C3 | H9 | 109.5° | 109.5° |
| C2 | C3 | H10 | 109.5° | 109.5° |
| C2 | C5 | H5 | 109.5° | 109.5° |
| C2 | C5 | H6 | 109.5° | 109.5° |
| C2 | C5 | H7 | 109.5° | 109.5° |
| C12 | C13 | O2 | 116.8° | 120.1° |
| C12 | C13 | C14 | 118.7° | 119.9° |
| C13 | C12 | H12 | 119.1° | 120.0° |
| C4 | C15 | C14 | 121.5° | 120.0° |
| C4 | C15 | H15 | 119.3° | 120.0° |
| O2 | C13 | C14 | 124.5° | 120.1° |
| C13 | O2 | H13 | 109.5° | 114.0° |
| C13 | C14 | C15 | 119.6° | 120.0° |
| C13 | C14 | H14 | 120.2° | 120.0° |
| C15 | C14 | H14 | 120.2° | 120.0° |
| C14 | C15 | H15 | 119.3° | 120.0° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H5 | C5 | H7 | 109.5° | 109.4° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H8 | C3 | H9 | 109.5° | 109.5° |
| H8 | C3 | H10 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C8 | C7 | C9 | 178.9° | 179.8° |
| O1 | C8 | C7 | F18 | 2.1° | 0.0° |
| O1 | C8 | C7 | C6 | 177.1° | 179.7° |
| O1 | C8 | C9 | C10 | 178.5° | 179.7° |
| O1 | C8 | C9 | H3 | 1.5° | 0.0° |
| C8 | C7 | F18 | C6 | 179.3° | 179.7° |
| C7 | C8 | C9 | C10 | 0.3° | 0.5° |
| C8 | C7 | C6 | C1 | 1.9° | 0.3° |
| C8 | C7 | C6 | H1 | 178.1° | 179.8° |
| C7 | C8 | C9 | H3 | 179.7° | 179.7° |
| C7 | C8 | O1 | H4 | 180.0° | 90.0° |
| C9 | C8 | C7 | F18 | 179.0° | 179.7° |
| C9 | C8 | C7 | C6 | 1.8° | 0.5° |
| C8 | C9 | C10 | H3 | 180.0° | 179.7° |
| C8 | C9 | C10 | C1 | 1.0° | 0.3° |
| C8 | C9 | C10 | H2 | 179.0° | 179.8° |
| C9 | C8 | O1 | H4 | 1.1° | 89.7° |
| F18 | C7 | C6 | C1 | 178.9° | 180.0° |
| F18 | C7 | C6 | H1 | 1.1° | 0.1° |
| C7 | C6 | C1 | H1 | 180.0° | 179.9° |
| C7 | C6 | C1 | C10 | 0.5° | 0.0° |
| C7 | C6 | C1 | C2 | 178.6° | 180.0° |
| C9 | C10 | C1 | C6 | 0.9° | 0.1° |
| C9 | C10 | C1 | H2 | 180.0° | 179.9° |
| C9 | C10 | C1 | C2 | 180.0° | 180.0° |
| C6 | C1 | C10 | C2 | 179.1° | 180.0° |
| C6 | C1 | C2 | C4 | 72.2° | 54.5° |
| C6 | C1 | C2 | C3 | 55.7° | 65.5° |
| C6 | C1 | C2 | C5 | 168.8° | 174.5° |
| C6 | C1 | C10 | H2 | 179.1° | 179.9° |
| C10 | C1 | C2 | C4 | 106.9° | 125.4° |
| C10 | C1 | C2 | C3 | 125.2° | 114.6° |
| C10 | C1 | C2 | C5 | 12.1° | 5.4° |
| C10 | C1 | C6 | H1 | 179.5° | 179.9° |
| C1 | C10 | C9 | H3 | 179.0° | 179.9° |
| C1 | C2 | C4 | C11 | 51.0° | 56.6° |
| C1 | C2 | C4 | C3 | 126.7° | 120.0° |
| C1 | C2 | C4 | C5 | 121.1° | 120.0° |
| C1 | C2 | C3 | C5 | 118.9° | 120.0° |
| C1 | C2 | C4 | C15 | 131.2° | 123.7° |
| C2 | C1 | C6 | H1 | 1.4° | 0.1° |
| C2 | C1 | C10 | H2 | 0.0° | 0.1° |
| C1 | C2 | C5 | H5 | 180.0° | 60.0° |
| C1 | C2 | C5 | H6 | 60.0° | 180.0° |
| C1 | C2 | C5 | H7 | 60.0° | 60.0° |
| C1 | C2 | C3 | H8 | 180.0° | 60.0° |
| C1 | C2 | C3 | H9 | 60.0° | 180.0° |
| C1 | C2 | C3 | H10 | 60.0° | 60.0° |
| C12 | C11 | C4 | H11 | 180.0° | 180.0° |
| C12 | C11 | C4 | C2 | 177.7° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C12 | C11 | C4 | C15 | 0.2° | 0.3° |
| C11 | C12 | C13 | O2 | 178.4° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C4 | C2 | C15 | 177.8° | 179.7° |
| C11 | C4 | C2 | C3 | 177.7° | 176.6° |
| C11 | C4 | C2 | C5 | 70.1° | 63.4° |
| C4 | C11 | C12 | C13 | 1.0° | 0.0° |
| C11 | C4 | C15 | C14 | 2.3° | 0.5° |
| C4 | C11 | C12 | H12 | 179.0° | 180.0° |
| C11 | C4 | C15 | H15 | 177.7° | 179.8° |
| C4 | C2 | C3 | C5 | 115.9° | 120.0° |
| C2 | C4 | C15 | C14 | 175.5° | 179.7° |
| C4 | C2 | C5 | H5 | 60.1° | 180.0° |
| C4 | C2 | C5 | H6 | 59.9° | 60.0° |
| C4 | C2 | C5 | H7 | 179.9° | 60.0° |
| C4 | C2 | C3 | H8 | 54.8° | 60.0° |
| C4 | C2 | C3 | H9 | 174.8° | 60.0° |
| C4 | C2 | C3 | H10 | 65.2° | 180.0° |
| C2 | C4 | C11 | H11 | 2.3° | 0.0° |
| C2 | C4 | C15 | H15 | 4.5° | 0.0° |
| C3 | C2 | C4 | C15 | 4.5° | 3.7° |
| C3 | C2 | C5 | H5 | 60.5° | 60.0° |
| C3 | C2 | C5 | H6 | 179.5° | 60.0° |
| C3 | C2 | C5 | H7 | 59.5° | 180.0° |
| C2 | C3 | H8 | H9 | 120.0° | 120.0° |
| C2 | C3 | H8 | H10 | 120.0° | 120.0° |
| C2 | C3 | H9 | H10 | 120.0° | 120.0° |
| C5 | C2 | C4 | C15 | 107.7° | 116.3° |
| C2 | C5 | H5 | H6 | 120.0° | 120.0° |
| C2 | C5 | H5 | H7 | 120.0° | 120.0° |
| C2 | C5 | H6 | H7 | 120.0° | 120.0° |
| C5 | C2 | C3 | H8 | 61.1° | 180.0° |
| C5 | C2 | C3 | H9 | 58.9° | 60.0° |
| C5 | C2 | C3 | H10 | 178.9° | 60.0° |
| C12 | C13 | O2 | C14 | 178.4° | 179.9° |
| C12 | C13 | C14 | C15 | 1.9° | 0.2° |
| C13 | C12 | C11 | H11 | 179.1° | 180.0° |
| C12 | C13 | O2 | H13 | 180.0° | 90.0° |
| C12 | C13 | C14 | H14 | 178.1° | 180.0° |
| C4 | C15 | C14 | C13 | 3.1° | 0.5° |
| C4 | C15 | C14 | H15 | 180.0° | 179.7° |
| C15 | C4 | C11 | H11 | 179.8° | 179.7° |
| C4 | C15 | C14 | H14 | 176.9° | 179.7° |
| O2 | C13 | C14 | C15 | 179.7° | 179.7° |
| O2 | C13 | C12 | H12 | 1.6° | 0.1° |
| O2 | C13 | C14 | H14 | 0.3° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.8° |
| C14 | C13 | C12 | H12 | 179.9° | 180.0° |
| C14 | C13 | O2 | H13 | 1.6° | 89.9° |
| C13 | C14 | C15 | H15 | 176.9° | 179.8° |
| H2 | C10 | C9 | H3 | 1.0° | 0.1° |
| H5 | C5 | H6 | H7 | 120.0° | 120.0° |
| H8 | C3 | H9 | H10 | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 0.9° | 0.0° |
| H14 | C14 | C15 | H15 | 3.1° | 0.0° |
