WF0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | C5 | sing | 1.89Å | 1.89Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| O | C | sing | 1.43Å | 1.41Å | |
| C | C1 | sing | 1.53Å | 1.50Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| F2 | C15 | sing | 1.40Å | 1.32Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| N | C2 | sing | 1.47Å | 1.46Å | |
| C8 | O1 | sing | 1.36Å | 1.37Å | |
| F | C13 | sing | 1.35Å | 1.35Å | |
| C15 | F3 | sing | 1.40Å | 1.32Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C15 | F1 | sing | 1.40Å | 1.32Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| O1 | C9 | sing | 1.43Å | 1.43Å | |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 1.01Å | 1.00Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| O | H14 | sing | 0.97Å | 0.95Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | C5 | C4 | 119.0° | 119.9° |
| BR | C5 | C6 | 119.1° | 119.9° |
| C4 | C5 | C6 | 121.9° | 120.1° |
| C5 | C4 | C3 | 119.7° | 120.0° |
| C5 | C4 | H5 | 120.1° | 120.1° |
| C5 | C6 | C7 | 119.1° | 120.0° |
| C5 | C6 | H6 | 120.5° | 120.0° |
| O | C | C1 | 111.1° | 109.4° |
| O | C | H12 | 109.1° | 109.5° |
| O | C | H13 | 109.0° | 109.4° |
| C | O | H14 | 109.5° | 114.0° |
| C | C1 | N | 110.4° | 109.5° |
| C | C1 | H1 | 109.2° | 109.5° |
| C | C1 | H2 | 109.2° | 109.4° |
| C1 | C | H12 | 109.0° | 109.5° |
| C1 | C | H13 | 109.1° | 109.4° |
| C4 | C3 | C2 | 121.0° | 120.1° |
| C4 | C3 | C8 | 118.4° | 119.9° |
| C3 | C4 | H5 | 120.2° | 119.9° |
| C1 | N | C2 | 112.2° | 111.0° |
| N | C1 | H1 | 109.3° | 109.5° |
| N | C1 | H2 | 109.3° | 109.5° |
| C1 | N | H10 | 108.8° | 111.0° |
| C6 | C7 | C8 | 119.8° | 119.9° |
| C7 | C6 | H6 | 120.4° | 120.0° |
| C6 | C7 | H7 | 120.1° | 120.0° |
| F2 | C15 | F3 | 106.7° | 109.5° |
| F2 | C15 | C14 | 112.8° | 109.5° |
| F2 | C15 | F1 | 106.5° | 109.5° |
| C2 | C3 | C8 | 120.7° | 120.0° |
| C3 | C2 | N | 112.4° | 109.5° |
| C3 | C2 | H3 | 108.7° | 109.4° |
| C3 | C2 | H4 | 108.7° | 109.5° |
| C3 | C8 | C7 | 121.2° | 119.9° |
| C3 | C8 | O1 | 115.5° | 120.1° |
| C7 | C8 | O1 | 123.1° | 120.0° |
| C8 | C7 | H7 | 120.1° | 120.1° |
| N | C2 | H3 | 108.7° | 109.5° |
| N | C2 | H4 | 108.7° | 109.5° |
| C2 | N | H10 | 108.8° | 111.1° |
| C8 | O1 | C9 | 116.8° | 117.0° |
| F | C13 | C14 | 118.6° | 120.0° |
| F | C13 | C12 | 118.5° | 120.0° |
| F3 | C15 | C14 | 112.3° | 109.5° |
| F3 | C15 | F1 | 105.6° | 109.5° |
| C14 | C15 | F1 | 112.5° | 109.5° |
| C15 | C14 | C13 | 120.8° | 120.0° |
| C15 | C14 | C16 | 121.9° | 120.0° |
| C14 | C13 | C12 | 122.8° | 120.0° |
| C13 | C14 | C16 | 117.3° | 120.0° |
| C13 | C12 | C11 | 118.6° | 119.9° |
| C13 | C12 | H16 | 120.7° | 120.0° |
| C14 | C16 | C10 | 121.5° | 120.0° |
| C14 | C16 | H17 | 119.3° | 120.0° |
| C12 | C11 | C10 | 121.0° | 120.0° |
| C12 | C11 | H15 | 119.5° | 119.9° |
| C11 | C12 | H16 | 120.7° | 120.1° |
| C16 | C10 | C11 | 118.7° | 120.1° |
| C16 | C10 | C9 | 120.6° | 120.0° |
| C10 | C16 | H17 | 119.2° | 120.0° |
| O1 | C9 | C10 | 110.1° | 109.5° |
| O1 | C9 | H8 | 109.3° | 109.5° |
| O1 | C9 | H9 | 109.3° | 109.5° |
| C11 | C10 | C9 | 120.6° | 119.9° |
| C10 | C11 | H15 | 119.5° | 120.0° |
| C10 | C9 | H8 | 109.3° | 109.5° |
| C10 | C9 | H9 | 109.3° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C5 | C4 | C6 | 179.8° | 180.0° |
| BR | C5 | C4 | C3 | 179.5° | 180.0° |
| BR | C5 | C6 | C7 | 179.7° | 180.0° |
| BR | C5 | C4 | H5 | 0.4° | 0.0° |
| BR | C5 | C6 | H6 | 0.3° | 0.0° |
| C5 | C4 | C3 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.0° |
| C5 | C4 | C3 | C2 | 177.4° | 180.0° |
| C5 | C4 | C3 | C8 | 1.0° | 0.3° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.6° | 0.2° |
| C6 | C5 | C4 | H5 | 179.7° | 180.0° |
| C5 | C6 | C7 | H7 | 179.4° | 180.0° |
| O | C | C1 | H12 | 120.2° | 120.1° |
| O | C | C1 | H13 | 120.2° | 119.9° |
| O | C | C1 | N | 110.7° | 65.0° |
| O | C | C1 | H1 | 9.4° | 55.1° |
| O | C | C1 | H2 | 129.1° | 175.0° |
| O | C | H12 | H13 | 119.2° | 120.0° |
| C | C1 | N | H1 | 120.1° | 120.0° |
| C | C1 | N | H2 | 120.1° | 119.9° |
| C | C1 | N | C2 | 179.7° | 180.0° |
| C | C1 | H1 | H2 | 119.6° | 119.9° |
| C | C1 | N | H10 | 59.9° | 56.0° |
| C1 | C | H12 | H13 | 119.3° | 120.0° |
| C1 | C | O | H14 | 180.0° | 180.0° |
| C4 | C3 | C2 | C8 | 178.3° | 179.7° |
| C4 | C3 | C8 | C7 | 0.9° | 0.5° |
| C4 | C3 | C2 | N | 104.4° | 99.7° |
| C4 | C3 | C8 | O1 | 174.9° | 179.7° |
| C4 | C3 | C2 | H3 | 16.0° | 20.3° |
| C4 | C3 | C2 | H4 | 135.2° | 140.3° |
| C1 | N | C2 | C3 | 70.8° | 180.0° |
| C1 | N | C2 | H10 | 120.4° | 124.0° |
| N | C1 | H1 | H2 | 119.6° | 120.0° |
| C1 | N | C2 | H3 | 49.6° | 60.0° |
| C1 | N | C2 | H4 | 168.8° | 60.0° |
| N | C1 | C | H12 | 129.0° | 175.0° |
| N | C1 | C | H13 | 9.5° | 55.0° |
| C6 | C7 | C8 | C3 | 0.1° | 0.5° |
| C6 | C7 | C8 | H7 | 180.0° | 179.8° |
| C6 | C7 | C8 | O1 | 175.3° | 179.7° |
| F2 | C15 | F3 | C14 | 124.1° | 120.0° |
| F2 | C15 | F3 | F1 | 113.0° | 120.0° |
| F2 | C15 | C14 | F1 | 120.5° | 120.0° |
| F2 | C15 | C14 | C13 | 87.6° | 60.0° |
| F2 | C15 | C14 | C16 | 90.6° | 119.7° |
| C2 | C3 | C8 | C7 | 177.5° | 179.8° |
| C3 | C2 | N | H3 | 120.4° | 120.0° |
| C3 | C2 | N | H4 | 120.4° | 120.0° |
| C2 | C3 | C8 | O1 | 6.7° | 0.0° |
| C3 | C2 | H3 | H4 | 118.6° | 120.0° |
| C2 | C3 | C4 | H5 | 2.6° | 0.0° |
| C3 | C2 | N | H10 | 49.6° | 56.0° |
| C3 | C8 | C7 | O1 | 175.5° | 179.8° |
| C8 | C3 | C2 | N | 73.9° | 80.0° |
| C3 | C8 | O1 | C9 | 170.3° | 180.0° |
| C8 | C3 | C2 | H3 | 165.7° | 160.0° |
| C8 | C3 | C2 | H4 | 46.6° | 40.0° |
| C8 | C3 | C4 | H5 | 179.1° | 179.8° |
| C3 | C8 | C7 | H7 | 179.9° | 179.7° |
| C7 | C8 | O1 | C9 | 5.4° | 0.2° |
| C8 | C7 | C6 | H6 | 179.4° | 179.8° |
| C2 | N | C1 | H1 | 59.6° | 60.0° |
| C2 | N | C1 | H2 | 60.2° | 60.0° |
| N | C2 | H3 | H4 | 118.7° | 120.0° |
| C8 | O1 | C9 | C10 | 73.3° | 180.0° |
| O1 | C8 | C7 | H7 | 4.6° | 0.1° |
| C8 | O1 | C9 | H8 | 166.7° | 60.0° |
| C8 | O1 | C9 | H9 | 46.8° | 60.1° |
| F | C13 | C14 | C15 | 0.3° | 0.2° |
| F | C13 | C14 | C12 | 179.7° | 179.7° |
| F | C13 | C14 | C16 | 178.6° | 180.0° |
| F | C13 | C12 | C11 | 179.3° | 179.8° |
| F | C13 | C12 | H16 | 0.7° | 0.2° |
| F3 | C15 | C14 | F1 | 118.9° | 120.0° |
| F3 | C15 | C14 | C13 | 32.9° | 180.0° |
| F3 | C15 | C14 | C16 | 148.8° | 0.3° |
| C15 | C14 | C13 | C16 | 178.3° | 179.8° |
| C15 | C14 | C13 | C12 | 179.4° | 180.0° |
| C15 | C14 | C16 | C10 | 179.4° | 179.7° |
| C15 | C14 | C16 | H17 | 0.5° | 0.2° |
| F1 | C15 | C14 | C13 | 151.9° | 60.0° |
| F1 | C15 | C14 | C16 | 29.9° | 120.3° |
| C14 | C13 | C12 | C11 | 0.4° | 0.0° |
| C13 | C14 | C16 | C10 | 1.1° | 0.5° |
| C14 | C13 | C12 | H16 | 179.6° | 180.0° |
| C13 | C14 | C16 | H17 | 178.9° | 180.0° |
| C12 | C13 | C14 | C16 | 1.1° | 0.3° |
| C13 | C12 | C11 | H16 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.1° |
| C13 | C12 | C11 | H15 | 179.7° | 180.0° |
| C14 | C16 | C10 | H17 | 180.0° | 179.5° |
| C14 | C16 | C10 | C11 | 0.5° | 0.6° |
| C14 | C16 | C10 | C9 | 176.9° | 179.8° |
| C12 | C11 | C10 | C16 | 0.2° | 0.3° |
| C12 | C11 | C10 | H15 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 177.6° | 180.0° |
| C16 | C10 | C9 | O1 | 48.5° | 90.3° |
| C16 | C10 | C11 | C9 | 177.4° | 179.7° |
| C16 | C10 | C9 | H8 | 71.6° | 149.7° |
| C16 | C10 | C9 | H9 | 168.6° | 29.7° |
| C16 | C10 | C11 | H15 | 179.8° | 179.8° |
| O1 | C9 | C10 | C11 | 134.1° | 90.1° |
| O1 | C9 | C10 | H8 | 120.1° | 120.0° |
| O1 | C9 | C10 | H9 | 120.1° | 120.0° |
| O1 | C9 | H8 | H9 | 119.7° | 120.1° |
| C11 | C10 | C9 | H8 | 105.8° | 30.0° |
| C11 | C10 | C9 | H9 | 14.0° | 149.9° |
| C10 | C11 | C12 | H16 | 179.7° | 180.0° |
| C11 | C10 | C16 | H17 | 179.5° | 180.0° |
| C10 | C9 | H8 | H9 | 119.7° | 119.9° |
| C9 | C10 | C11 | H15 | 2.4° | 0.1° |
| C9 | C10 | C16 | H17 | 3.1° | 0.3° |
| H1 | C1 | N | H10 | 180.0° | 64.0° |
| H1 | C1 | C | H12 | 110.8° | 65.0° |
| H1 | C1 | C | H13 | 129.6° | 175.0° |
| H2 | C1 | N | H10 | 60.2° | 176.0° |
| H2 | C1 | C | H12 | 8.9° | 55.0° |
| H2 | C1 | C | H13 | 110.6° | 65.0° |
| H3 | C2 | N | H10 | 170.1° | 63.9° |
| H4 | C2 | N | H10 | 70.8° | 176.0° |
| H6 | C6 | C7 | H7 | 0.6° | 0.0° |
| H12 | C | O | H14 | 59.8° | 60.0° |
| H13 | C | O | H14 | 59.7° | 60.0° |
| H15 | C11 | C12 | H16 | 0.3° | 0.1° |
