WOX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F18 | C17 | sing | 1.35Å | 1.37Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C13 | N14 | sing | 1.46Å | 1.45Å | |
| C17 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.52Å | 1.54Å | |
| N14 | C15 | sing | 1.46Å | 1.48Å | |
| N14 | C24 | sing | 1.34Å | 1.34Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C24 | sing | 1.50Å | 1.52Å | |
| C10 | C26 | sing | 1.54Å | 1.55Å | |
| C10 | O9 | sing | 1.43Å | 1.44Å | |
| C24 | O25 | doub | 1.21Å | 1.22Å | |
| C22 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | F23 | sing | 1.35Å | 1.35Å | |
| C26 | C7 | sing | 1.52Å | 1.51Å | |
| O9 | N8 | sing | 1.42Å | 1.45Å | |
| N8 | C7 | doub | 1.30Å | 1.29Å | |
| C7 | C6 | sing | 1.47Å | 1.45Å | |
| S5 | C6 | sing | 1.76Å | 1.78Å | Aromatic |
| S5 | C4 | sing | 1.76Å | 1.77Å | Aromatic |
| C6 | C2 | doub | 1.36Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.34Å | 1.35Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F18 | C17 | C19 | 120.1° | 120.0° |
| F18 | C17 | C16 | 121.0° | 120.0° |
| C13 | C12 | C11 | 107.0° | 108.8° |
| C12 | C13 | N14 | 109.4° | 110.8° |
| C13 | C12 | H8 | 110.1° | 109.6° |
| C13 | C12 | H9 | 110.1° | 109.6° |
| C12 | C13 | H10 | 109.5° | 109.2° |
| C12 | C13 | H11 | 109.5° | 109.2° |
| C12 | C11 | C10 | 111.3° | 108.4° |
| C12 | C11 | H6 | 109.0° | 109.6° |
| C12 | C11 | H7 | 109.0° | 109.8° |
| C11 | C12 | H8 | 110.1° | 109.6° |
| C11 | C12 | H9 | 110.0° | 109.6° |
| C13 | N14 | C15 | 115.5° | 118.2° |
| C13 | N14 | C24 | 122.9° | 123.8° |
| N14 | C13 | H10 | 109.5° | 109.2° |
| N14 | C13 | H11 | 109.5° | 109.2° |
| C19 | C17 | C16 | 118.9° | 120.0° |
| C17 | C19 | C20 | 120.5° | 120.0° |
| C17 | C19 | H14 | 119.7° | 120.0° |
| C17 | C16 | C15 | 122.1° | 120.0° |
| C17 | C16 | C22 | 120.0° | 120.0° |
| C19 | C20 | C21 | 120.2° | 120.1° |
| C20 | C19 | H14 | 119.7° | 120.0° |
| C19 | C20 | H15 | 119.9° | 119.9° |
| C11 | C10 | C24 | 113.3° | 111.3° |
| C11 | C10 | C26 | 105.6° | 110.3° |
| C11 | C10 | O9 | 112.4° | 110.8° |
| C10 | C11 | H6 | 109.0° | 109.6° |
| C10 | C11 | H7 | 109.0° | 109.7° |
| C15 | N14 | C24 | 121.5° | 118.1° |
| N14 | C15 | C16 | 118.3° | 109.5° |
| N14 | C15 | H12 | 107.2° | 109.5° |
| N14 | C15 | H13 | 107.2° | 109.5° |
| N14 | C24 | C10 | 122.1° | 123.1° |
| N14 | C24 | O25 | 117.6° | 118.5° |
| C15 | C16 | C22 | 117.7° | 120.0° |
| C16 | C15 | H12 | 107.3° | 109.5° |
| C16 | C15 | H13 | 107.2° | 109.4° |
| C16 | C22 | C21 | 121.0° | 119.9° |
| C16 | C22 | F23 | 118.8° | 120.0° |
| C20 | C21 | C22 | 119.3° | 120.0° |
| C21 | C20 | H15 | 119.9° | 120.0° |
| C20 | C21 | H16 | 120.3° | 120.0° |
| C24 | C10 | C26 | 110.1° | 110.6° |
| C24 | C10 | O9 | 113.2° | 111.1° |
| C10 | C24 | O25 | 120.3° | 118.4° |
| C26 | C10 | O9 | 101.3° | 102.5° |
| C10 | C26 | C7 | 104.9° | 102.4° |
| C10 | C26 | H17 | 110.6° | 110.8° |
| C10 | C26 | H18 | 110.6° | 110.8° |
| C10 | O9 | N8 | 107.7° | 107.5° |
| C21 | C22 | F23 | 120.1° | 120.0° |
| C22 | C21 | H16 | 120.3° | 120.0° |
| C26 | C7 | N8 | 106.9° | 108.2° |
| C26 | C7 | C6 | 123.7° | 125.9° |
| C7 | C26 | H17 | 110.6° | 110.8° |
| C7 | C26 | H18 | 110.6° | 110.8° |
| O9 | N8 | C7 | 113.7° | 112.8° |
| N8 | C7 | C6 | 129.4° | 125.9° |
| C7 | C6 | S5 | 121.7° | 125.3° |
| C7 | C6 | C2 | 127.2° | 125.4° |
| C6 | S5 | C4 | 89.3° | 91.1° |
| S5 | C6 | C2 | 111.1° | 109.3° |
| S5 | C4 | C3 | 111.2° | 110.0° |
| S5 | C4 | H5 | 124.4° | 125.0° |
| C6 | C2 | C1 | 125.2° | 122.7° |
| C6 | C2 | C3 | 113.1° | 114.5° |
| C1 | C2 | C3 | 121.7° | 122.8° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C3 | C4 | 115.4° | 115.2° |
| C2 | C3 | H4 | 122.3° | 122.4° |
| C4 | C3 | H4 | 122.3° | 122.4° |
| C3 | C4 | H5 | 124.4° | 125.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.6° |
| H8 | C12 | H9 | 109.5° | 109.7° |
| H10 | C13 | H11 | 109.4° | 109.1° |
| H12 | C15 | H13 | 109.4° | 109.5° |
| H17 | C26 | H18 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F18 | C17 | C19 | C16 | 178.8° | 179.7° |
| F18 | C17 | C19 | C20 | 178.5° | 179.7° |
| F18 | C17 | C16 | C15 | 0.5° | 0.4° |
| F18 | C17 | C16 | C22 | 176.3° | 179.8° |
| F18 | C17 | C19 | H14 | 1.5° | 0.2° |
| C13 | C12 | C11 | H8 | 119.6° | 119.8° |
| C13 | C12 | C11 | H9 | 119.6° | 119.8° |
| C12 | C13 | N14 | H10 | 120.0° | 120.4° |
| C12 | C13 | N14 | H11 | 120.0° | 120.3° |
| C13 | C12 | C11 | C10 | 60.8° | 66.2° |
| C12 | C13 | N14 | C15 | 149.5° | 159.7° |
| C12 | C13 | N14 | C24 | 32.6° | 20.2° |
| C13 | C12 | C11 | H6 | 59.5° | 174.2° |
| C13 | C12 | C11 | H7 | 179.0° | 53.7° |
| C13 | C12 | H8 | H9 | 121.2° | 120.4° |
| C12 | C13 | H10 | H11 | 120.0° | 119.4° |
| C11 | C12 | C13 | N14 | 62.3° | 51.3° |
| C12 | C11 | C10 | H6 | 120.3° | 119.6° |
| C12 | C11 | C10 | H7 | 120.3° | 120.0° |
| C12 | C11 | C10 | C24 | 28.0° | 47.2° |
| C12 | C11 | C10 | C26 | 148.6° | 170.4° |
| C12 | C11 | C10 | O9 | 101.8° | 76.9° |
| C12 | C11 | H6 | H7 | 119.2° | 120.6° |
| C11 | C12 | H8 | H9 | 121.1° | 120.4° |
| C11 | C12 | C13 | H10 | 177.7° | 171.7° |
| C11 | C12 | C13 | H11 | 57.7° | 69.0° |
| C13 | N14 | C15 | C24 | 178.0° | 179.9° |
| C13 | N14 | C15 | C16 | 101.8° | 90.0° |
| C13 | N14 | C24 | C10 | 1.6° | 2.4° |
| C13 | N14 | C24 | O25 | 179.4° | 177.6° |
| N14 | C13 | C12 | H8 | 178.1° | 68.5° |
| N14 | C13 | C12 | H9 | 57.3° | 171.1° |
| N14 | C13 | H10 | H11 | 120.0° | 119.3° |
| C13 | N14 | C15 | H12 | 19.5° | 150.0° |
| C13 | N14 | C15 | H13 | 136.9° | 30.0° |
| C17 | C19 | C20 | H14 | 180.0° | 179.9° |
| C19 | C17 | C16 | C15 | 178.3° | 179.9° |
| C19 | C17 | C16 | C22 | 2.5° | 0.1° |
| C17 | C19 | C20 | C21 | 1.2° | 0.0° |
| C17 | C19 | C20 | H15 | 178.8° | 180.0° |
| C16 | C17 | C19 | C20 | 0.3° | 0.0° |
| C17 | C16 | C15 | N14 | 72.4° | 90.0° |
| C17 | C16 | C15 | C22 | 175.9° | 179.9° |
| C17 | C16 | C22 | C21 | 3.1° | 0.1° |
| C17 | C16 | C22 | F23 | 179.7° | 180.0° |
| C17 | C16 | C15 | H12 | 48.9° | 30.1° |
| C17 | C16 | C15 | H13 | 166.3° | 150.1° |
| C16 | C17 | C19 | H14 | 179.7° | 179.9° |
| C19 | C20 | C21 | H15 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.6° | 0.1° |
| C19 | C20 | C21 | H16 | 179.4° | 180.0° |
| C11 | C10 | C24 | N14 | 3.8° | 16.4° |
| C11 | C10 | C24 | C26 | 118.0° | 122.9° |
| C11 | C10 | C24 | O9 | 129.5° | 123.9° |
| C11 | C10 | C26 | O9 | 117.3° | 118.0° |
| C11 | C10 | C24 | O25 | 178.5° | 163.5° |
| C11 | C10 | C26 | C7 | 139.7° | 141.6° |
| C11 | C10 | O9 | N8 | 133.9° | 142.4° |
| C10 | C11 | H6 | H7 | 119.2° | 120.5° |
| C10 | C11 | C12 | H8 | 179.6° | 53.6° |
| C10 | C11 | C12 | H9 | 58.9° | 174.0° |
| C11 | C10 | C26 | H17 | 101.0° | 23.4° |
| C11 | C10 | C26 | H18 | 20.4° | 100.2° |
| N14 | C15 | C16 | H12 | 121.2° | 120.0° |
| N14 | C15 | C16 | H13 | 121.3° | 120.0° |
| N14 | C15 | C16 | C22 | 111.7° | 89.9° |
| C15 | N14 | C24 | C10 | 176.2° | 177.6° |
| C15 | N14 | C24 | O25 | 1.5° | 2.5° |
| C15 | N14 | C13 | H10 | 29.5° | 39.4° |
| C15 | N14 | C13 | H11 | 90.5° | 79.9° |
| N14 | C15 | H12 | H13 | 116.0° | 120.0° |
| C24 | N14 | C15 | C16 | 80.2° | 90.1° |
| N14 | C24 | C10 | O25 | 177.7° | 180.0° |
| N14 | C24 | C10 | C26 | 114.2° | 139.4° |
| N14 | C24 | C10 | O9 | 133.3° | 107.5° |
| C24 | N14 | C13 | H10 | 152.6° | 140.6° |
| C24 | N14 | C13 | H11 | 87.5° | 100.1° |
| C24 | N14 | C15 | H12 | 158.5° | 29.9° |
| C24 | N14 | C15 | H13 | 41.1° | 150.0° |
| C15 | C16 | C22 | C21 | 179.2° | 180.0° |
| C15 | C16 | C22 | F23 | 3.7° | 0.1° |
| C16 | C15 | H12 | H13 | 116.0° | 120.0° |
| C16 | C22 | C21 | C20 | 1.6° | 0.1° |
| C16 | C22 | C21 | F23 | 177.2° | 179.9° |
| C22 | C16 | C15 | H12 | 127.1° | 150.1° |
| C22 | C16 | C15 | H13 | 9.6° | 30.1° |
| C16 | C22 | C21 | H16 | 178.4° | 180.0° |
| C20 | C21 | C22 | H16 | 180.0° | 179.9° |
| C20 | C21 | C22 | F23 | 178.7° | 180.0° |
| C21 | C20 | C19 | H14 | 178.8° | 179.9° |
| C24 | C10 | C26 | O9 | 120.0° | 118.5° |
| C24 | C10 | C26 | C7 | 97.7° | 94.9° |
| C24 | C10 | O9 | N8 | 96.2° | 93.4° |
| C24 | C10 | C11 | H6 | 92.2° | 166.9° |
| C24 | C10 | C11 | H7 | 148.3° | 72.7° |
| C24 | C10 | C26 | H17 | 21.6° | 146.9° |
| C24 | C10 | C26 | H18 | 143.0° | 23.3° |
| C26 | C10 | C24 | O25 | 63.5° | 40.6° |
| C10 | C26 | C7 | H17 | 119.3° | 118.2° |
| C10 | C26 | C7 | H18 | 119.3° | 118.2° |
| C26 | C10 | O9 | N8 | 21.6° | 24.8° |
| C10 | C26 | C7 | N8 | 15.3° | 14.9° |
| C10 | C26 | C7 | C6 | 165.9° | 165.1° |
| C26 | C10 | C11 | H6 | 28.3° | 70.0° |
| C26 | C10 | C11 | H7 | 91.2° | 50.4° |
| C10 | C26 | H17 | H18 | 122.1° | 123.5° |
| O9 | C10 | C24 | O25 | 49.0° | 72.5° |
| O9 | C10 | C26 | C7 | 22.3° | 23.6° |
| C10 | O9 | N8 | C7 | 13.9° | 16.9° |
| O9 | C10 | C11 | H6 | 137.9° | 42.8° |
| O9 | C10 | C11 | H7 | 18.4° | 163.2° |
| O9 | C10 | C26 | H17 | 141.6° | 94.6° |
| O9 | C10 | C26 | H18 | 96.9° | 141.8° |
| C22 | C21 | C20 | H15 | 179.4° | 179.9° |
| F23 | C22 | C21 | H16 | 1.3° | 0.1° |
| C26 | C7 | N8 | O9 | 1.7° | 0.3° |
| C26 | C7 | N8 | C6 | 178.7° | 180.0° |
| C26 | C7 | C6 | S5 | 1.5° | 0.2° |
| C26 | C7 | C6 | C2 | 178.3° | 180.0° |
| C7 | C26 | H17 | H18 | 122.1° | 123.5° |
| O9 | N8 | C7 | C6 | 179.6° | 179.7° |
| N8 | C7 | C6 | S5 | 180.0° | 179.9° |
| N8 | C7 | C6 | C2 | 0.2° | 0.0° |
| N8 | C7 | C26 | H17 | 134.6° | 103.3° |
| N8 | C7 | C26 | H18 | 104.0° | 133.1° |
| C7 | C6 | S5 | C2 | 179.8° | 179.8° |
| C7 | C6 | S5 | C4 | 179.3° | 179.8° |
| C7 | C6 | C2 | C1 | 0.5° | 0.1° |
| C7 | C6 | C2 | C3 | 179.4° | 179.7° |
| C6 | C7 | C26 | H17 | 46.7° | 76.7° |
| C6 | C7 | C26 | H18 | 74.8° | 46.9° |
| S5 | C6 | C2 | C1 | 179.7° | 179.9° |
| S5 | C6 | C2 | C3 | 0.4° | 0.4° |
| C6 | S5 | C4 | C3 | 0.5° | 0.2° |
| C6 | S5 | C4 | H5 | 179.4° | 179.9° |
| C4 | S5 | C6 | C2 | 0.5° | 0.4° |
| S5 | C4 | C3 | C2 | 0.4° | 0.0° |
| S5 | C4 | C3 | H5 | 180.0° | 179.9° |
| S5 | C4 | C3 | H4 | 179.5° | 180.0° |
| C6 | C2 | C1 | C3 | 180.0° | 179.6° |
| C6 | C2 | C3 | C4 | 0.0° | 0.3° |
| C6 | C2 | C1 | H1 | 90.0° | 90.3° |
| C6 | C2 | C1 | H2 | 150.0° | 29.7° |
| C6 | C2 | C1 | H3 | 30.0° | 149.7° |
| C6 | C2 | C3 | H4 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 179.9° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 0.1° | 0.1° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C3 | C2 | C1 | H1 | 90.0° | 90.1° |
| C3 | C2 | C1 | H2 | 30.0° | 150.0° |
| C3 | C2 | C1 | H3 | 150.0° | 29.9° |
| C2 | C3 | C4 | H5 | 179.5° | 179.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 0.5° | 0.1° |
| H6 | C11 | C12 | H8 | 60.2° | 66.1° |
| H6 | C11 | C12 | H9 | 179.1° | 54.4° |
| H7 | C11 | C12 | H8 | 59.3° | 173.4° |
| H7 | C11 | C12 | H9 | 61.4° | 66.1° |
| H8 | C12 | C13 | H10 | 58.1° | 51.9° |
| H8 | C12 | C13 | H11 | 61.9° | 171.2° |
| H9 | C12 | C13 | H10 | 62.7° | 68.5° |
| H9 | C12 | C13 | H11 | 177.3° | 50.8° |
| H14 | C19 | C20 | H15 | 1.2° | 0.1° |
| H15 | C20 | C21 | H16 | 0.6° | 0.0° |
