4W0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F4 | C24 | sing | 1.40Å | 1.36Å | |
| F3 | C24 | sing | 1.40Å | 1.35Å | |
| C24 | F2 | sing | 1.40Å | 1.34Å | |
| C24 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C20 | sing | 1.36Å | 1.43Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C23 | C8 | sing | 1.51Å | 1.52Å | |
| C16 | C13 | sing | 1.51Å | 1.49Å | |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.36Å | 1.48Å | |
| C8 | C7 | sing | 1.41Å | 1.45Å | |
| C10 | C9 | sing | 1.48Å | 1.49Å | |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| O2 | C7 | doub | 1.22Å | 1.22Å | |
| C9 | N | sing | 1.36Å | 1.43Å | |
| C7 | C4 | sing | 1.47Å | 1.51Å | |
| C12 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| N | C3 | sing | 1.38Å | 1.47Å | |
| C4 | C3 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| F1 | C5 | sing | 1.35Å | 1.32Å | |
| C3 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| N | H4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F4 | C24 | F3 | 104.6° | 109.5° |
| F4 | C24 | F2 | 113.7° | 109.5° |
| F4 | C24 | O1 | 111.3° | 109.5° |
| F3 | C24 | F2 | 108.7° | 109.5° |
| F3 | C24 | O1 | 111.1° | 109.4° |
| F2 | C24 | O1 | 107.5° | 109.4° |
| C24 | O1 | C20 | 122.4° | 117.0° |
| O1 | C20 | C19 | 121.2° | 120.1° |
| O1 | C20 | C21 | 119.6° | 120.1° |
| C20 | C19 | C18 | 120.7° | 120.0° |
| C19 | C20 | C21 | 119.2° | 119.8° |
| C20 | C19 | H12 | 119.7° | 120.0° |
| C19 | C18 | C17 | 119.3° | 120.1° |
| C19 | C18 | H11 | 120.3° | 120.0° |
| C18 | C19 | H12 | 119.7° | 120.0° |
| C20 | C21 | C22 | 120.5° | 120.0° |
| C20 | C21 | H13 | 119.8° | 120.0° |
| C18 | C17 | C22 | 120.8° | 120.1° |
| C18 | C17 | C16 | 121.6° | 120.0° |
| C17 | C18 | H11 | 120.4° | 120.0° |
| C21 | C22 | C17 | 119.5° | 120.1° |
| C22 | C21 | H13 | 119.7° | 120.0° |
| C21 | C22 | H14 | 120.3° | 120.0° |
| C22 | C17 | C16 | 117.4° | 119.9° |
| C17 | C22 | H14 | 120.2° | 119.9° |
| C17 | C16 | C13 | 123.4° | 109.5° |
| C17 | C16 | H9 | 105.9° | 109.5° |
| C17 | C16 | H10 | 105.9° | 109.4° |
| C15 | C14 | C13 | 118.8° | 120.2° |
| C14 | C15 | C10 | 118.6° | 119.9° |
| C15 | C14 | H7 | 120.6° | 120.0° |
| C14 | C15 | H8 | 120.7° | 120.1° |
| C14 | C13 | C16 | 123.1° | 119.8° |
| C14 | C13 | C12 | 123.1° | 120.3° |
| C13 | C14 | H7 | 120.6° | 119.9° |
| C15 | C10 | C9 | 123.7° | 120.2° |
| C15 | C10 | C11 | 122.0° | 119.7° |
| C10 | C15 | H8 | 120.7° | 120.1° |
| C23 | C8 | C9 | 123.0° | 120.0° |
| C23 | C8 | C7 | 119.0° | 120.0° |
| C8 | C23 | H15 | 109.5° | 109.5° |
| C8 | C23 | H16 | 109.5° | 109.4° |
| C8 | C23 | H17 | 109.5° | 109.5° |
| C16 | C13 | C12 | 113.8° | 119.9° |
| C13 | C16 | H9 | 105.9° | 109.5° |
| C13 | C16 | H10 | 105.9° | 109.5° |
| C13 | C12 | C11 | 117.8° | 120.1° |
| C13 | C12 | H6 | 121.1° | 119.9° |
| C9 | C8 | C7 | 118.0° | 120.0° |
| C8 | C9 | C10 | 125.1° | 118.9° |
| C8 | C9 | N | 122.1° | 122.2° |
| C8 | C7 | O2 | 119.1° | 121.0° |
| C8 | C7 | C4 | 118.8° | 118.0° |
| C9 | C10 | C11 | 114.1° | 120.1° |
| C10 | C9 | N | 112.5° | 118.9° |
| C10 | C11 | C12 | 119.7° | 119.9° |
| C10 | C11 | H5 | 120.1° | 120.0° |
| O2 | C7 | C4 | 122.1° | 121.0° |
| C9 | N | C3 | 120.0° | 121.5° |
| C9 | N | H4 | 120.0° | 119.3° |
| C7 | C4 | C3 | 121.4° | 118.7° |
| C7 | C4 | C5 | 120.6° | 121.3° |
| C12 | C11 | H5 | 120.1° | 120.1° |
| C11 | C12 | H6 | 121.1° | 120.0° |
| N | C3 | C4 | 119.6° | 119.6° |
| N | C3 | C2 | 118.1° | 121.0° |
| C3 | N | H4 | 120.0° | 119.2° |
| C3 | C4 | C5 | 118.0° | 120.0° |
| C4 | C3 | C2 | 122.3° | 119.4° |
| C4 | C5 | F1 | 119.2° | 120.3° |
| C4 | C5 | C6 | 120.7° | 119.5° |
| F1 | C5 | C6 | 120.1° | 120.2° |
| C3 | C2 | C1 | 119.0° | 119.9° |
| C3 | C2 | H2 | 120.5° | 120.1° |
| C5 | C6 | C1 | 120.9° | 120.3° |
| C5 | C6 | H3 | 119.6° | 119.8° |
| C2 | C1 | C6 | 119.1° | 120.8° |
| C2 | C1 | H1 | 120.4° | 119.6° |
| C1 | C2 | H2 | 120.5° | 120.1° |
| C6 | C1 | H1 | 120.4° | 119.6° |
| C1 | C6 | H3 | 119.6° | 119.8° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H15 | C23 | H17 | 109.4° | 109.5° |
| H16 | C23 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F4 | C24 | F3 | F2 | 121.7° | 120.1° |
| F4 | C24 | F3 | O1 | 120.1° | 120.0° |
| F4 | C24 | F2 | O1 | 123.6° | 120.0° |
| F4 | C24 | O1 | C20 | 102.9° | 60.0° |
| F3 | C24 | F2 | O1 | 120.4° | 119.9° |
| F3 | C24 | O1 | C20 | 141.0° | 180.0° |
| F2 | C24 | O1 | C20 | 22.1° | 60.0° |
| C24 | O1 | C20 | C19 | 63.2° | 180.0° |
| C24 | O1 | C20 | C21 | 117.0° | 0.0° |
| O1 | C20 | C19 | C21 | 179.8° | 180.0° |
| O1 | C20 | C19 | C18 | 179.5° | 180.0° |
| O1 | C20 | C21 | C22 | 179.6° | 179.9° |
| O1 | C20 | C19 | H12 | 0.5° | 0.0° |
| O1 | C20 | C21 | H13 | 0.4° | 0.0° |
| C20 | C19 | C18 | H12 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.4° | 0.1° |
| C19 | C20 | C21 | C22 | 0.6° | 0.0° |
| C20 | C19 | C18 | H11 | 179.6° | 180.0° |
| C19 | C20 | C21 | H13 | 179.4° | 180.0° |
| C18 | C19 | C20 | C21 | 0.7° | 0.0° |
| C19 | C18 | C17 | H11 | 180.0° | 179.9° |
| C19 | C18 | C17 | C22 | 1.6° | 0.1° |
| C19 | C18 | C17 | C16 | 177.2° | 179.7° |
| C20 | C21 | C22 | H13 | 180.0° | 179.9° |
| C20 | C21 | C22 | C17 | 0.5° | 0.0° |
| C21 | C20 | C19 | H12 | 179.3° | 180.0° |
| C20 | C21 | C22 | H14 | 179.4° | 179.8° |
| C18 | C17 | C22 | C21 | 1.6° | 0.1° |
| C18 | C17 | C22 | C16 | 175.8° | 179.6° |
| C18 | C17 | C16 | C13 | 60.9° | 89.6° |
| C18 | C17 | C16 | H9 | 177.3° | 150.3° |
| C18 | C17 | C16 | H10 | 61.1° | 30.3° |
| C17 | C18 | C19 | H12 | 179.6° | 179.9° |
| C18 | C17 | C22 | H14 | 178.3° | 179.7° |
| C21 | C22 | C17 | H14 | 180.0° | 179.8° |
| C21 | C22 | C17 | C16 | 177.5° | 179.7° |
| C22 | C17 | C16 | C13 | 123.4° | 90.0° |
| C22 | C17 | C16 | H9 | 1.5° | 30.1° |
| C22 | C17 | C16 | H10 | 114.7° | 150.0° |
| C22 | C17 | C18 | H11 | 178.4° | 180.0° |
| C17 | C22 | C21 | H13 | 179.5° | 179.9° |
| C17 | C16 | C13 | C14 | 16.8° | 90.0° |
| C17 | C16 | C13 | H9 | 121.9° | 120.0° |
| C17 | C16 | C13 | H10 | 121.9° | 119.9° |
| C17 | C16 | C13 | C12 | 164.8° | 90.0° |
| C17 | C16 | H9 | H10 | 113.8° | 119.9° |
| C16 | C17 | C18 | H11 | 2.8° | 0.4° |
| C16 | C17 | C22 | H14 | 2.5° | 0.1° |
| C15 | C14 | C13 | H7 | 180.0° | 179.5° |
| C14 | C15 | C10 | H8 | 180.0° | 179.4° |
| C15 | C14 | C13 | C16 | 178.7° | 179.8° |
| C15 | C14 | C13 | C12 | 0.5° | 0.2° |
| C14 | C15 | C10 | C9 | 177.6° | 179.8° |
| C14 | C15 | C10 | C11 | 3.1° | 0.5° |
| C13 | C14 | C15 | C10 | 0.8° | 0.5° |
| C14 | C13 | C16 | C12 | 178.3° | 180.0° |
| C14 | C13 | C12 | C11 | 0.3° | 0.0° |
| C14 | C13 | C12 | H6 | 179.7° | 180.0° |
| C13 | C14 | C15 | H8 | 179.2° | 179.9° |
| C14 | C13 | C16 | H9 | 105.1° | 30.0° |
| C14 | C13 | C16 | H10 | 138.8° | 150.0° |
| C15 | C10 | C9 | C8 | 126.2° | 50.0° |
| C15 | C10 | C9 | C11 | 174.9° | 179.7° |
| C15 | C10 | C9 | N | 59.7° | 130.0° |
| C15 | C10 | C11 | C12 | 3.9° | 0.3° |
| C15 | C10 | C11 | H5 | 176.1° | 179.7° |
| C10 | C15 | C14 | H7 | 179.2° | 180.0° |
| C23 | C8 | C9 | C7 | 179.2° | 180.0° |
| C23 | C8 | C9 | C10 | 4.5° | 0.0° |
| C23 | C8 | C7 | O2 | 0.7° | 0.0° |
| C23 | C8 | C9 | N | 178.1° | 180.0° |
| C23 | C8 | C7 | C4 | 178.9° | 179.9° |
| C8 | C23 | H15 | H16 | 120.0° | 119.9° |
| C8 | C23 | H15 | H17 | 120.0° | 120.0° |
| C8 | C23 | H16 | H17 | 120.0° | 120.0° |
| C16 | C13 | C12 | C11 | 178.0° | 180.0° |
| C16 | C13 | C12 | H6 | 1.9° | 0.0° |
| C16 | C13 | C14 | H7 | 1.3° | 0.3° |
| C13 | C16 | H9 | H10 | 113.7° | 120.0° |
| C13 | C12 | C11 | C10 | 2.4° | 0.0° |
| C13 | C12 | C11 | H6 | 180.0° | 180.0° |
| C13 | C12 | C11 | H5 | 177.5° | 180.0° |
| C12 | C13 | C14 | H7 | 179.5° | 179.7° |
| C12 | C13 | C16 | H9 | 73.3° | 150.0° |
| C12 | C13 | C16 | H10 | 42.9° | 30.0° |
| C8 | C9 | C10 | N | 174.1° | 180.0° |
| C8 | C9 | C10 | C11 | 59.0° | 130.3° |
| C9 | C8 | C7 | O2 | 178.5° | 180.0° |
| C9 | C8 | C7 | C4 | 1.8° | 0.1° |
| C8 | C9 | N | C3 | 2.6° | 0.0° |
| C9 | C8 | C23 | H15 | 180.0° | 84.9° |
| C9 | C8 | C23 | H16 | 60.0° | 155.1° |
| C9 | C8 | C23 | H17 | 60.0° | 35.1° |
| C8 | C9 | N | H4 | 177.4° | 180.0° |
| C7 | C8 | C9 | C10 | 176.3° | 180.0° |
| C8 | C7 | O2 | C4 | 179.6° | 179.9° |
| C7 | C8 | C9 | N | 2.7° | 0.0° |
| C8 | C7 | C4 | C3 | 1.0° | 0.1° |
| C8 | C7 | C4 | C5 | 179.4° | 180.0° |
| C7 | C8 | C23 | H15 | 0.8° | 95.1° |
| C7 | C8 | C23 | H16 | 120.8° | 24.9° |
| C7 | C8 | C23 | H17 | 119.2° | 144.9° |
| C9 | C10 | C11 | C12 | 178.9° | 180.0° |
| C10 | C9 | N | C3 | 176.9° | 180.0° |
| C9 | C10 | C11 | H5 | 1.1° | 0.0° |
| C9 | C10 | C15 | H8 | 2.4° | 0.3° |
| C10 | C9 | N | H4 | 3.1° | 0.0° |
| C11 | C10 | C9 | N | 115.2° | 49.7° |
| C10 | C11 | C12 | H5 | 180.0° | 180.0° |
| C10 | C11 | C12 | H6 | 177.6° | 180.0° |
| C11 | C10 | C15 | H8 | 176.9° | 180.0° |
| O2 | C7 | C4 | C3 | 179.4° | 179.9° |
| O2 | C7 | C4 | C5 | 0.2° | 0.1° |
| C9 | N | C3 | H4 | 180.0° | 180.0° |
| C9 | N | C3 | C4 | 1.6° | 0.0° |
| C9 | N | C3 | C2 | 178.8° | 180.0° |
| C7 | C4 | C3 | N | 0.9° | 0.0° |
| C7 | C4 | C3 | C5 | 179.5° | 180.0° |
| C7 | C4 | C5 | F1 | 0.1° | 0.0° |
| C7 | C4 | C3 | C2 | 179.6° | 180.0° |
| C7 | C4 | C5 | C6 | 179.5° | 179.8° |
| N | C3 | C4 | C2 | 179.5° | 180.0° |
| N | C3 | C4 | C5 | 179.6° | 180.0° |
| N | C3 | C2 | C1 | 179.7° | 180.0° |
| N | C3 | C2 | H2 | 0.3° | 0.0° |
| C3 | C4 | C5 | F1 | 179.7° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.3° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C4 | C3 | N | H4 | 178.4° | 179.9° |
| C4 | C5 | F1 | C6 | 179.7° | 179.8° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.5° |
| C4 | C5 | C6 | H3 | 179.9° | 180.0° |
| F1 | C5 | C6 | C1 | 179.7° | 179.7° |
| F1 | C5 | C6 | H3 | 0.3° | 0.2° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.2° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| C2 | C3 | N | H4 | 1.2° | 0.0° |
| C5 | C6 | C1 | C2 | 0.0° | 0.5° |
| C5 | C6 | C1 | H3 | 180.0° | 179.5° |
| C5 | C6 | C1 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | H3 | 180.0° | 180.0° |
| C6 | C1 | C2 | H2 | 179.9° | 179.8° |
| H1 | C1 | C2 | H2 | 0.1° | 0.0° |
| H1 | C1 | C6 | H3 | 0.0° | 0.3° |
| H5 | C11 | C12 | H6 | 2.4° | 0.0° |
| H7 | C14 | C15 | H8 | 0.9° | 0.6° |
| H11 | C18 | C19 | H12 | 0.4° | 0.0° |
| H13 | C21 | C22 | H14 | 0.6° | 0.3° |
| H15 | C23 | H16 | H17 | 120.0° | 120.0° |
