W8O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | O6 | sing | 1.43Å | 1.43Å | |
| O6 | C17 | sing | 1.36Å | 1.36Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| O5 | C18 | sing | 1.36Å | 1.37Å | |
| O5 | C20 | sing | 1.43Å | 1.42Å | |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | sing | 1.55Å | 1.53Å | |
| C8 | O1 | sing | 1.44Å | 1.47Å | |
| C7 | C11 | sing | 1.53Å | 1.52Å | |
| C7 | C5 | sing | 1.52Å | 1.51Å | |
| O1 | C6 | sing | 1.36Å | 1.37Å | |
| C11 | O3 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| O2 | C1 | sing | 1.36Å | 1.37Å | |
| O2 | C9 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| O4 | C14 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C12 | sing | 1.51Å | 1.51Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C2 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| O3 | H25 | sing | 0.97Å | 0.95Å | |
| O4 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | O6 | C17 | 118.3° | 117.0° |
| O6 | C21 | H22 | 109.5° | 109.5° |
| O6 | C21 | H23 | 109.5° | 109.5° |
| O6 | C21 | H24 | 109.5° | 109.4° |
| O6 | C17 | C16 | 124.7° | 120.1° |
| O6 | C17 | C18 | 115.6° | 120.0° |
| C16 | C17 | C18 | 119.7° | 119.9° |
| C17 | C16 | C15 | 119.6° | 120.0° |
| C17 | C16 | H16 | 120.2° | 120.0° |
| C17 | C18 | O5 | 115.4° | 120.1° |
| C17 | C18 | C19 | 120.1° | 119.8° |
| C18 | O5 | C20 | 116.5° | 117.0° |
| O5 | C18 | C19 | 124.5° | 120.1° |
| O5 | C20 | H19 | 109.5° | 109.5° |
| O5 | C20 | H20 | 109.5° | 109.5° |
| O5 | C20 | H21 | 109.4° | 109.4° |
| C16 | C15 | C10 | 121.0° | 120.1° |
| C16 | C15 | H15 | 119.5° | 119.9° |
| C15 | C16 | H16 | 120.2° | 120.0° |
| C18 | C19 | C10 | 120.0° | 120.0° |
| C18 | C19 | H17 | 120.0° | 120.0° |
| C15 | C10 | C19 | 119.6° | 120.1° |
| C15 | C10 | C8 | 119.7° | 119.9° |
| C10 | C15 | H15 | 119.5° | 119.9° |
| C19 | C10 | C8 | 120.8° | 120.0° |
| C10 | C19 | H17 | 120.0° | 120.0° |
| C10 | C8 | C7 | 112.6° | 110.7° |
| C10 | C8 | O1 | 110.0° | 110.8° |
| C10 | C8 | H7 | 109.3° | 110.8° |
| C7 | C8 | O1 | 106.4° | 102.8° |
| C8 | C7 | C11 | 113.4° | 111.0° |
| C8 | C7 | C5 | 102.9° | 101.9° |
| C8 | C7 | H6 | 108.6° | 111.0° |
| C7 | C8 | H7 | 108.8° | 110.7° |
| C8 | O1 | C6 | 108.6° | 109.2° |
| O1 | C8 | H7 | 109.6° | 110.8° |
| C11 | C7 | C5 | 113.9° | 110.9° |
| C7 | C11 | O3 | 114.3° | 109.5° |
| C7 | C11 | H4 | 108.3° | 109.5° |
| C7 | C11 | H5 | 108.3° | 109.5° |
| C11 | C7 | H6 | 108.8° | 110.8° |
| C7 | C5 | C6 | 109.1° | 107.0° |
| C7 | C5 | C4 | 130.8° | 132.1° |
| C5 | C7 | H6 | 108.9° | 110.9° |
| O1 | C6 | C5 | 112.7° | 111.2° |
| O1 | C6 | C1 | 125.7° | 129.9° |
| O3 | C11 | H4 | 108.3° | 109.5° |
| O3 | C11 | H5 | 108.3° | 109.5° |
| C11 | O3 | H25 | 109.5° | 114.0° |
| C6 | C5 | C4 | 120.1° | 120.8° |
| C5 | C6 | C1 | 121.6° | 118.9° |
| C5 | C4 | C3 | 120.0° | 120.0° |
| C5 | C4 | H1 | 120.0° | 119.9° |
| C6 | C1 | O2 | 118.3° | 119.9° |
| C6 | C1 | C2 | 117.6° | 120.1° |
| C4 | C3 | C2 | 119.1° | 119.8° |
| C4 | C3 | C12 | 118.5° | 120.0° |
| C3 | C4 | H1 | 120.0° | 120.0° |
| C1 | O2 | C9 | 116.6° | 117.0° |
| O2 | C1 | C2 | 124.1° | 120.0° |
| O2 | C9 | H8 | 109.5° | 109.4° |
| O2 | C9 | H9 | 109.5° | 109.5° |
| O2 | C9 | H10 | 109.5° | 109.5° |
| C1 | C2 | C3 | 121.6° | 120.3° |
| C1 | C2 | H18 | 119.2° | 119.9° |
| O4 | C14 | C13 | 108.1° | 109.4° |
| O4 | C14 | H2 | 109.8° | 109.5° |
| O4 | C14 | H3 | 109.8° | 109.5° |
| C14 | O4 | H26 | 109.5° | 113.9° |
| C14 | C13 | C12 | 115.8° | 109.5° |
| C13 | C14 | H2 | 109.8° | 109.5° |
| C13 | C14 | H3 | 109.8° | 109.5° |
| C14 | C13 | H13 | 107.9° | 109.5° |
| C14 | C13 | H14 | 107.8° | 109.5° |
| C13 | C12 | C3 | 107.6° | 109.5° |
| C13 | C12 | H11 | 109.9° | 109.5° |
| C13 | C12 | H12 | 109.9° | 109.5° |
| C12 | C13 | H13 | 107.8° | 109.5° |
| C12 | C13 | H14 | 107.9° | 109.4° |
| C2 | C3 | C12 | 122.4° | 120.1° |
| C3 | C2 | H18 | 119.2° | 119.8° |
| C3 | C12 | H11 | 109.9° | 109.5° |
| C3 | C12 | H12 | 109.9° | 109.4° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H8 | C9 | H10 | 109.5° | 109.4° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.4° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H19 | C20 | H20 | 109.4° | 109.5° |
| H19 | C20 | H21 | 109.5° | 109.4° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.5° | 109.5° |
| H22 | C21 | H24 | 109.4° | 109.4° |
| H23 | C21 | H24 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | O6 | C17 | C16 | 7.9° | 0.0° |
| C21 | O6 | C17 | C18 | 172.5° | 180.0° |
| O6 | C21 | H22 | H23 | 120.0° | 120.1° |
| O6 | C21 | H22 | H24 | 120.0° | 120.0° |
| O6 | C21 | H23 | H24 | 120.0° | 120.0° |
| O6 | C17 | C16 | C18 | 179.6° | 180.0° |
| O6 | C17 | C18 | O5 | 0.1° | 0.1° |
| O6 | C17 | C16 | C15 | 179.1° | 180.0° |
| O6 | C17 | C18 | C19 | 179.2° | 179.7° |
| O6 | C17 | C16 | H16 | 1.0° | 0.0° |
| C17 | O6 | C21 | H22 | 180.0° | 60.0° |
| C17 | O6 | C21 | H23 | 60.0° | 60.1° |
| C17 | O6 | C21 | H24 | 60.0° | 180.0° |
| C16 | C17 | C18 | O5 | 179.5° | 180.0° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.4° | 0.3° |
| C17 | C16 | C15 | C10 | 0.8° | 0.0° |
| C17 | C16 | C15 | H15 | 179.2° | 180.0° |
| C17 | C18 | O5 | C19 | 179.0° | 179.7° |
| C17 | C18 | O5 | C20 | 177.8° | 180.0° |
| C18 | C17 | C16 | C15 | 0.5° | 0.0° |
| C17 | C18 | C19 | C10 | 0.6° | 0.5° |
| C18 | C17 | C16 | H16 | 179.5° | 180.0° |
| C17 | C18 | C19 | H17 | 179.4° | 179.9° |
| O5 | C18 | C19 | C10 | 179.5° | 179.8° |
| O5 | C18 | C19 | H17 | 0.5° | 0.3° |
| C18 | O5 | C20 | H19 | 180.0° | 59.9° |
| C18 | O5 | C20 | H20 | 60.0° | 179.9° |
| C18 | O5 | C20 | H21 | 60.0° | 60.0° |
| C20 | O5 | C18 | C19 | 1.2° | 0.3° |
| O5 | C20 | H19 | H20 | 120.0° | 120.0° |
| O5 | C20 | H19 | H21 | 120.0° | 119.9° |
| O5 | C20 | H20 | H21 | 120.0° | 120.0° |
| C16 | C15 | C10 | H15 | 180.0° | 180.0° |
| C16 | C15 | C10 | C19 | 0.9° | 0.3° |
| C16 | C15 | C10 | C8 | 179.1° | 180.0° |
| C18 | C19 | C10 | C15 | 0.8° | 0.5° |
| C18 | C19 | C10 | H17 | 180.0° | 179.5° |
| C18 | C19 | C10 | C8 | 179.2° | 179.7° |
| C15 | C10 | C19 | C8 | 180.0° | 179.7° |
| C15 | C10 | C8 | C7 | 125.5° | 85.0° |
| C15 | C10 | C8 | O1 | 115.9° | 28.3° |
| C15 | C10 | C8 | H7 | 4.5° | 151.7° |
| C10 | C15 | C16 | H16 | 179.2° | 180.0° |
| C15 | C10 | C19 | H17 | 179.2° | 180.0° |
| C19 | C10 | C8 | C7 | 54.5° | 95.2° |
| C19 | C10 | C8 | O1 | 64.0° | 151.4° |
| C19 | C10 | C8 | H7 | 175.6° | 28.0° |
| C19 | C10 | C15 | H15 | 179.1° | 179.7° |
| C10 | C8 | C7 | O1 | 120.6° | 118.3° |
| C10 | C8 | C7 | H7 | 121.3° | 123.3° |
| C10 | C8 | O1 | H7 | 120.2° | 123.4° |
| C10 | C8 | C7 | C11 | 121.3° | 148.7° |
| C10 | C8 | C7 | C5 | 115.1° | 93.1° |
| C10 | C8 | O1 | C6 | 117.4° | 90.4° |
| C10 | C8 | C7 | H6 | 0.3° | 25.0° |
| C8 | C10 | C15 | H15 | 0.9° | 0.0° |
| C8 | C10 | C19 | H17 | 0.8° | 0.2° |
| C7 | C8 | O1 | H7 | 117.5° | 118.3° |
| C8 | C7 | C11 | C5 | 117.3° | 112.6° |
| C8 | C7 | C11 | H6 | 120.9° | 123.8° |
| C8 | C7 | C5 | H6 | 115.1° | 118.2° |
| C7 | C8 | O1 | C6 | 4.9° | 27.9° |
| C8 | C7 | C11 | O3 | 40.3° | 179.0° |
| C8 | C7 | C5 | C6 | 4.5° | 15.1° |
| C8 | C7 | C5 | C4 | 175.9° | 164.4° |
| C8 | C7 | C11 | H4 | 161.0° | 61.0° |
| C8 | C7 | C11 | H5 | 80.4° | 59.0° |
| O1 | C8 | C7 | C11 | 118.0° | 93.0° |
| O1 | C8 | C7 | C5 | 5.6° | 25.2° |
| C8 | O1 | C6 | C5 | 2.1° | 19.4° |
| C8 | O1 | C6 | C1 | 177.8° | 161.2° |
| O1 | C8 | C7 | H6 | 120.9° | 143.4° |
| C11 | C7 | C5 | H6 | 121.6° | 123.6° |
| C7 | C11 | O3 | H4 | 120.7° | 120.0° |
| C7 | C11 | O3 | H5 | 120.7° | 120.0° |
| C11 | C7 | C5 | C6 | 118.8° | 103.1° |
| C11 | C7 | C5 | C4 | 60.8° | 77.4° |
| C7 | C11 | H4 | H5 | 117.8° | 120.0° |
| C11 | C7 | C8 | H7 | 0.0° | 25.4° |
| C7 | C11 | O3 | H25 | 180.0° | 180.0° |
| C7 | C5 | C6 | O1 | 1.7° | 1.4° |
| C5 | C7 | C11 | O3 | 77.1° | 66.4° |
| C7 | C5 | C6 | C4 | 179.6° | 179.6° |
| C7 | C5 | C6 | C1 | 178.4° | 179.1° |
| C7 | C5 | C4 | C3 | 178.6° | 179.1° |
| C7 | C5 | C4 | H1 | 1.4° | 0.6° |
| C5 | C7 | C11 | H4 | 43.6° | 173.6° |
| C5 | C7 | C11 | H5 | 162.2° | 53.6° |
| C5 | C7 | C8 | H7 | 123.6° | 143.6° |
| O1 | C6 | C5 | C1 | 179.9° | 179.5° |
| O1 | C6 | C5 | C4 | 178.7° | 178.9° |
| O1 | C6 | C1 | O2 | 0.5° | 1.0° |
| O1 | C6 | C1 | C2 | 178.3° | 178.8° |
| C6 | O1 | C8 | H7 | 122.4° | 146.2° |
| O3 | C11 | H4 | H5 | 117.8° | 120.0° |
| O3 | C11 | C7 | H6 | 161.2° | 57.3° |
| C6 | C5 | C4 | C3 | 1.0° | 0.4° |
| C5 | C6 | C1 | O2 | 179.5° | 179.6° |
| C5 | C6 | C1 | C2 | 1.6° | 0.6° |
| C6 | C5 | C4 | H1 | 179.1° | 179.9° |
| C6 | C5 | C7 | H6 | 119.6° | 133.3° |
| C4 | C5 | C6 | C1 | 1.3° | 0.5° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 1.0° | 0.3° |
| C5 | C4 | C3 | C12 | 178.8° | 179.8° |
| C4 | C5 | C7 | H6 | 60.8° | 46.3° |
| C6 | C1 | O2 | C2 | 178.7° | 179.7° |
| C6 | C1 | O2 | C9 | 170.7° | 180.0° |
| C6 | C1 | C2 | C3 | 1.7° | 0.5° |
| C6 | C1 | C2 | H18 | 178.2° | 180.0° |
| C4 | C3 | C2 | C1 | 1.5° | 0.4° |
| C4 | C3 | C12 | C13 | 46.1° | 90.0° |
| C4 | C3 | C2 | C12 | 177.6° | 179.9° |
| C4 | C3 | C12 | H11 | 165.8° | 30.0° |
| C4 | C3 | C12 | H12 | 73.6° | 150.0° |
| C4 | C3 | C2 | H18 | 178.5° | 179.8° |
| O2 | C1 | C2 | C3 | 179.5° | 179.7° |
| C1 | O2 | C9 | H8 | 180.0° | 60.0° |
| C1 | O2 | C9 | H9 | 60.0° | 60.0° |
| C1 | O2 | C9 | H10 | 60.0° | 180.0° |
| O2 | C1 | C2 | H18 | 0.5° | 0.3° |
| C9 | O2 | C1 | C2 | 8.0° | 0.2° |
| O2 | C9 | H8 | H9 | 120.0° | 120.0° |
| O2 | C9 | H8 | H10 | 120.0° | 120.0° |
| O2 | C9 | H9 | H10 | 120.0° | 120.0° |
| C1 | C2 | C3 | H18 | 180.0° | 179.4° |
| C1 | C2 | C3 | C12 | 179.1° | 179.7° |
| O4 | C14 | C13 | H2 | 119.8° | 120.0° |
| O4 | C14 | C13 | H3 | 119.8° | 120.0° |
| O4 | C14 | C13 | C12 | 174.3° | 179.9° |
| O4 | C14 | H2 | H3 | 120.6° | 120.0° |
| O4 | C14 | C13 | H13 | 53.3° | 60.0° |
| O4 | C14 | C13 | H14 | 64.8° | 60.0° |
| C14 | C13 | C12 | H13 | 120.9° | 120.1° |
| C14 | C13 | C12 | H14 | 120.9° | 120.0° |
| C14 | C13 | C12 | C3 | 173.7° | 180.0° |
| C13 | C14 | H2 | H3 | 120.6° | 120.0° |
| C14 | C13 | C12 | H11 | 66.6° | 60.0° |
| C14 | C13 | C12 | H12 | 54.0° | 60.0° |
| C14 | C13 | H13 | H14 | 117.1° | 120.1° |
| C13 | C14 | O4 | H26 | 180.0° | 180.0° |
| C13 | C12 | C3 | C2 | 131.5° | 89.9° |
| C13 | C12 | C3 | H11 | 119.7° | 120.1° |
| C13 | C12 | C3 | H12 | 119.7° | 120.0° |
| C12 | C13 | C14 | H2 | 66.0° | 60.0° |
| C12 | C13 | C14 | H3 | 54.5° | 60.0° |
| C13 | C12 | H11 | H12 | 120.9° | 120.0° |
| C12 | C13 | H13 | H14 | 117.1° | 119.9° |
| C2 | C3 | C4 | H1 | 179.0° | 180.0° |
| C2 | C3 | C12 | H11 | 11.8° | 150.0° |
| C2 | C3 | C12 | H12 | 108.8° | 30.1° |
| C12 | C3 | C4 | H1 | 1.3° | 0.0° |
| C3 | C12 | H11 | H12 | 120.9° | 120.0° |
| C3 | C12 | C13 | H13 | 52.8° | 59.9° |
| C3 | C12 | C13 | H14 | 65.3° | 60.0° |
| C12 | C3 | C2 | H18 | 0.9° | 0.3° |
| H2 | C14 | C13 | H13 | 173.1° | 60.0° |
| H2 | C14 | C13 | H14 | 55.0° | 180.0° |
| H2 | C14 | O4 | H26 | 60.2° | 60.0° |
| H3 | C14 | C13 | H13 | 66.5° | 180.0° |
| H3 | C14 | C13 | H14 | 175.4° | 59.9° |
| H3 | C14 | O4 | H26 | 60.2° | 60.0° |
| H4 | C11 | C7 | H6 | 78.1° | 62.8° |
| H4 | C11 | O3 | H25 | 59.3° | 60.0° |
| H5 | C11 | C7 | H6 | 40.5° | 177.3° |
| H5 | C11 | O3 | H25 | 59.3° | 60.0° |
| H6 | C7 | C8 | H7 | 121.1° | 98.3° |
| H8 | C9 | H9 | H10 | 120.0° | 120.0° |
| H11 | C12 | C13 | H13 | 172.5° | 180.0° |
| H11 | C12 | C13 | H14 | 54.4° | 60.0° |
| H12 | C12 | C13 | H13 | 66.9° | 60.0° |
| H12 | C12 | C13 | H14 | 174.9° | 180.0° |
| H15 | C15 | C16 | H16 | 0.8° | 0.0° |
| H19 | C20 | H20 | H21 | 120.0° | 120.0° |
| H22 | C21 | H23 | H24 | 119.9° | 120.0° |
