WVO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | sing | 1.36Å | 1.35Å | |
| C | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | S | sing | 1.76Å | 1.76Å | |
| C3 | S | sing | 1.76Å | 1.76Å | |
| C3 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.43Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.36Å | 1.36Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| S1 | C8 | sing | 1.76Å | 1.76Å | |
| C9 | S1 | sing | 1.76Å | 1.77Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| O1 | C12 | sing | 1.36Å | 1.36Å | |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| O2 | C13 | sing | 1.36Å | 1.36Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| O3 | S1 | doub | 1.42Å | 1.44Å | |
| O4 | S1 | doub | 1.42Å | 1.44Å | |
| C8 | C15 | sing | 1.36Å | 1.36Å | Aromatic |
| C15 | C16 | doub | 1.41Å | 1.42Å | Aromatic |
| C5 | C16 | sing | 1.42Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.41Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.36Å | 1.36Å | Aromatic |
| C18 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| O5 | S | doub | 1.42Å | 1.44Å | |
| S | O6 | doub | 1.42Å | 1.44Å | |
| C19 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| O7 | C21 | sing | 1.36Å | 1.36Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å | |
| O7 | H15 | sing | 0.97Å | 0.95Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 119.4° | 120.0° |
| O | C | C21 | 120.3° | 120.1° |
| C | O | H | 109.5° | 114.0° |
| C | C1 | C2 | 119.6° | 120.0° |
| C1 | C | C21 | 120.2° | 119.9° |
| C | C1 | H1 | 120.2° | 120.0° |
| C1 | C2 | S | 118.9° | 119.9° |
| C1 | C2 | C19 | 121.0° | 120.1° |
| C2 | C1 | H1 | 120.2° | 120.0° |
| C2 | S | C3 | 105.2° | 107.2° |
| C2 | S | O5 | 108.0° | 106.5° |
| C2 | S | O6 | 108.1° | 106.4° |
| S | C2 | C19 | 120.2° | 120.0° |
| S | C3 | C4 | 120.0° | 119.5° |
| S | C3 | C18 | 118.4° | 119.5° |
| C3 | S | O5 | 107.3° | 106.4° |
| C3 | S | O6 | 108.7° | 106.4° |
| C3 | C4 | C5 | 119.1° | 119.7° |
| C4 | C3 | C18 | 121.6° | 121.0° |
| C3 | C4 | H2 | 120.4° | 120.2° |
| C4 | C5 | C6 | 122.5° | 121.3° |
| C4 | C5 | C16 | 119.0° | 119.3° |
| C5 | C4 | H2 | 120.5° | 120.1° |
| C5 | C6 | C7 | 120.9° | 119.6° |
| C6 | C5 | C16 | 118.6° | 119.4° |
| C5 | C6 | H3 | 119.6° | 120.2° |
| C6 | C7 | C8 | 120.1° | 121.0° |
| C7 | C6 | H3 | 119.6° | 120.2° |
| C6 | C7 | H4 | 120.0° | 119.5° |
| C7 | C8 | S1 | 119.1° | 119.5° |
| C7 | C8 | C15 | 121.6° | 121.0° |
| C8 | C7 | H4 | 120.0° | 119.5° |
| C8 | S1 | C9 | 104.9° | 107.2° |
| C8 | S1 | O3 | 107.3° | 106.4° |
| C8 | S1 | O4 | 109.2° | 106.4° |
| S1 | C8 | C15 | 119.3° | 119.5° |
| S1 | C9 | C10 | 119.8° | 119.9° |
| S1 | C9 | C14 | 119.1° | 119.9° |
| C9 | S1 | O3 | 108.1° | 106.4° |
| C9 | S1 | O4 | 107.8° | 106.4° |
| C9 | C10 | C11 | 119.5° | 120.1° |
| C10 | C9 | C14 | 121.1° | 120.1° |
| C9 | C10 | H5 | 120.2° | 120.0° |
| C10 | C11 | C12 | 120.3° | 120.0° |
| C10 | C11 | H6 | 119.8° | 120.0° |
| C11 | C10 | H5 | 120.3° | 119.9° |
| C11 | C12 | O1 | 120.0° | 120.1° |
| C11 | C12 | C13 | 119.6° | 119.8° |
| C12 | C11 | H6 | 119.8° | 120.0° |
| O1 | C12 | C13 | 120.3° | 120.1° |
| C12 | O1 | H7 | 109.5° | 114.0° |
| C12 | C13 | O2 | 120.4° | 120.1° |
| C12 | C13 | C14 | 120.2° | 119.8° |
| O2 | C13 | C14 | 119.3° | 120.1° |
| C13 | O2 | H8 | 109.5° | 114.0° |
| C13 | C14 | C9 | 119.2° | 120.0° |
| C13 | C14 | H9 | 120.4° | 120.0° |
| C9 | C14 | H9 | 120.4° | 120.0° |
| O3 | S1 | O4 | 118.8° | 123.2° |
| C8 | C15 | C16 | 119.5° | 119.7° |
| C8 | C15 | H10 | 120.3° | 120.2° |
| C15 | C16 | C5 | 119.4° | 119.3° |
| C15 | C16 | C17 | 121.8° | 121.3° |
| C16 | C15 | H10 | 120.3° | 120.1° |
| C5 | C16 | C17 | 118.9° | 119.4° |
| C16 | C17 | C18 | 121.1° | 119.6° |
| C16 | C17 | H11 | 119.4° | 120.2° |
| C17 | C18 | C3 | 120.4° | 121.0° |
| C17 | C18 | H12 | 119.8° | 119.5° |
| C18 | C17 | H11 | 119.5° | 120.2° |
| C3 | C18 | H12 | 119.8° | 119.5° |
| O5 | S | O6 | 118.7° | 123.1° |
| C2 | C19 | C20 | 119.4° | 120.2° |
| C2 | C19 | H13 | 120.3° | 119.9° |
| C19 | C20 | C21 | 120.3° | 120.0° |
| C20 | C19 | H13 | 120.3° | 119.9° |
| C19 | C20 | H14 | 119.8° | 120.0° |
| C20 | C21 | C | 119.5° | 119.8° |
| C20 | C21 | O7 | 120.9° | 120.1° |
| C21 | C20 | H14 | 119.8° | 120.0° |
| C | C21 | O7 | 119.6° | 120.1° |
| C21 | O7 | H15 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | C21 | 176.3° | 179.5° |
| O | C | C1 | C2 | 175.5° | 180.0° |
| O | C | C21 | C20 | 175.4° | 180.0° |
| O | C | C21 | O7 | 3.6° | 0.3° |
| O | C | C1 | H1 | 4.5° | 0.2° |
| C | C1 | C2 | H1 | 180.0° | 179.8° |
| C | C1 | C2 | S | 179.4° | 179.8° |
| C | C1 | C2 | C19 | 0.0° | 0.2° |
| C1 | C | C21 | C20 | 0.8° | 0.5° |
| C1 | C | C21 | O7 | 179.9° | 179.8° |
| C1 | C | O | H | 180.0° | 90.0° |
| C1 | C2 | S | C19 | 179.4° | 180.0° |
| C1 | C2 | S | C3 | 84.2° | 90.0° |
| C1 | C2 | S | O5 | 30.2° | 23.6° |
| C1 | C2 | S | O6 | 159.8° | 156.5° |
| C1 | C2 | C19 | C20 | 0.8° | 0.0° |
| C2 | C1 | C | C21 | 0.8° | 0.5° |
| C1 | C2 | C19 | H13 | 179.2° | 180.0° |
| C2 | S | C3 | O5 | 114.9° | 113.6° |
| C2 | S | C3 | O6 | 115.6° | 113.5° |
| C2 | S | C3 | C4 | 82.1° | 90.0° |
| C2 | S | C3 | C18 | 96.0° | 90.3° |
| C2 | S | O5 | O6 | 123.4° | 123.0° |
| S | C2 | C19 | C20 | 178.6° | 180.0° |
| S | C2 | C1 | H1 | 0.6° | 0.0° |
| S | C2 | C19 | H13 | 1.4° | 0.0° |
| S | C3 | C4 | C18 | 178.0° | 179.7° |
| S | C3 | C4 | C5 | 178.5° | 180.0° |
| S | C3 | C18 | C17 | 178.5° | 179.7° |
| C3 | S | O5 | O6 | 123.6° | 122.9° |
| C3 | S | C2 | C19 | 95.3° | 90.0° |
| S | C3 | C4 | H2 | 1.5° | 0.1° |
| S | C3 | C18 | H12 | 1.5° | 0.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 179.7° | 180.0° |
| C3 | C4 | C5 | C16 | 0.3° | 0.0° |
| C4 | C3 | C18 | C17 | 0.4° | 0.6° |
| C4 | C3 | S | O5 | 163.1° | 156.4° |
| C4 | C3 | S | O6 | 33.5° | 23.5° |
| C4 | C3 | C18 | H12 | 179.6° | 179.7° |
| C4 | C5 | C6 | C16 | 179.4° | 180.0° |
| C4 | C5 | C6 | C7 | 179.4° | 180.0° |
| C4 | C5 | C16 | C15 | 178.4° | 180.0° |
| C4 | C5 | C16 | C17 | 1.1° | 0.0° |
| C5 | C4 | C3 | C18 | 0.5° | 0.3° |
| C4 | C5 | C6 | H3 | 0.5° | 0.1° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 1.1° | 0.1° |
| C6 | C5 | C16 | C15 | 1.0° | 0.0° |
| C6 | C5 | C16 | C17 | 179.4° | 180.0° |
| C6 | C5 | C4 | H2 | 0.3° | 0.1° |
| C5 | C6 | C7 | H4 | 178.9° | 180.0° |
| C6 | C7 | C8 | H4 | 180.0° | 179.9° |
| C6 | C7 | C8 | S1 | 177.6° | 179.9° |
| C6 | C7 | C8 | C15 | 1.1° | 0.1° |
| C7 | C6 | C5 | C16 | 0.0° | 0.0° |
| C7 | C8 | S1 | C15 | 178.7° | 180.0° |
| C7 | C8 | S1 | C9 | 79.5° | 90.0° |
| C7 | C8 | S1 | O3 | 35.3° | 23.6° |
| C7 | C8 | S1 | O4 | 165.3° | 156.5° |
| C7 | C8 | C15 | C16 | 0.0° | 0.0° |
| C8 | C7 | C6 | H3 | 178.9° | 180.0° |
| C7 | C8 | C15 | H10 | 180.0° | 179.9° |
| C8 | S1 | C9 | O3 | 114.3° | 113.5° |
| C8 | S1 | C9 | O4 | 116.2° | 113.5° |
| C8 | S1 | C9 | C10 | 83.8° | 90.0° |
| C8 | S1 | C9 | C14 | 94.3° | 90.0° |
| C8 | S1 | O3 | O4 | 124.3° | 122.9° |
| S1 | C8 | C15 | C16 | 178.7° | 180.0° |
| S1 | C8 | C15 | H10 | 1.3° | 0.1° |
| S1 | C8 | C7 | H4 | 2.4° | 0.0° |
| S1 | C9 | C10 | C14 | 178.1° | 180.0° |
| S1 | C9 | C10 | C11 | 177.1° | 179.7° |
| S1 | C9 | C14 | C13 | 178.1° | 180.0° |
| C9 | S1 | O3 | O4 | 123.1° | 123.0° |
| C9 | S1 | C8 | C15 | 99.3° | 90.0° |
| S1 | C9 | C14 | H9 | 1.9° | 0.1° |
| S1 | C9 | C10 | H5 | 2.9° | 0.0° |
| C9 | C10 | C11 | H5 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 1.2° | 0.5° |
| C10 | C9 | C14 | C13 | 0.0° | 0.0° |
| C10 | C9 | S1 | O3 | 30.4° | 156.5° |
| C10 | C9 | S1 | O4 | 159.9° | 23.5° |
| C10 | C9 | C14 | H9 | 180.0° | 179.9° |
| C9 | C10 | C11 | H6 | 178.8° | 180.0° |
| C10 | C11 | C12 | H6 | 180.0° | 179.5° |
| C10 | C11 | C12 | O1 | 176.1° | 179.8° |
| C10 | C11 | C12 | C13 | 0.4° | 0.5° |
| C11 | C10 | C9 | C14 | 1.0° | 0.3° |
| C11 | C12 | O1 | C13 | 176.6° | 179.7° |
| C11 | C12 | C13 | O2 | 175.6° | 179.7° |
| C11 | C12 | C13 | C14 | 0.6° | 0.2° |
| C11 | C12 | O1 | H7 | 180.0° | 89.8° |
| C12 | C11 | C10 | H5 | 178.8° | 179.8° |
| O1 | C12 | C13 | O2 | 0.9° | 0.0° |
| O1 | C12 | C13 | C14 | 177.1° | 180.0° |
| O1 | C12 | C11 | H6 | 3.9° | 0.3° |
| C12 | C13 | O2 | C14 | 176.2° | 180.0° |
| C12 | C13 | C14 | C9 | 0.8° | 0.0° |
| C12 | C13 | C14 | H9 | 179.2° | 179.9° |
| C13 | C12 | O1 | H7 | 3.4° | 90.0° |
| C12 | C13 | O2 | H8 | 180.0° | 89.9° |
| C13 | C12 | C11 | H6 | 179.6° | 180.0° |
| O2 | C13 | C14 | C9 | 175.5° | 180.0° |
| O2 | C13 | C14 | H9 | 4.6° | 0.1° |
| C13 | C14 | C9 | H9 | 180.0° | 179.9° |
| C14 | C13 | O2 | H8 | 3.8° | 90.1° |
| C14 | C9 | S1 | O3 | 151.5° | 23.5° |
| C14 | C9 | S1 | O4 | 22.0° | 156.5° |
| C14 | C9 | C10 | H5 | 179.0° | 179.9° |
| O3 | S1 | C8 | C15 | 145.9° | 156.5° |
| O4 | S1 | C8 | C15 | 16.0° | 23.5° |
| C8 | C15 | C16 | H10 | 180.0° | 180.0° |
| C8 | C15 | C16 | C5 | 1.0° | 0.0° |
| C8 | C15 | C16 | C17 | 179.4° | 180.0° |
| C15 | C8 | C7 | H4 | 178.9° | 180.0° |
| C15 | C16 | C5 | C17 | 179.5° | 180.0° |
| C15 | C16 | C17 | C18 | 178.3° | 179.7° |
| C15 | C16 | C17 | H11 | 1.7° | 0.0° |
| C5 | C16 | C17 | C18 | 1.2° | 0.3° |
| C16 | C5 | C4 | H2 | 179.7° | 180.0° |
| C16 | C5 | C6 | H3 | 180.0° | 180.0° |
| C5 | C16 | C17 | H11 | 178.7° | 180.0° |
| C5 | C16 | C15 | H10 | 179.0° | 180.0° |
| C16 | C17 | C18 | H11 | 180.0° | 179.7° |
| C16 | C17 | C18 | C3 | 0.5° | 0.6° |
| C16 | C17 | C18 | H12 | 179.5° | 179.7° |
| C17 | C16 | C15 | H10 | 0.6° | 0.0° |
| C17 | C18 | C3 | H12 | 180.0° | 179.7° |
| C18 | C3 | S | O5 | 18.8° | 23.3° |
| C18 | C3 | S | O6 | 148.4° | 156.2° |
| C18 | C3 | C4 | H2 | 179.5° | 179.7° |
| C3 | C18 | C17 | H11 | 179.5° | 179.7° |
| O5 | S | C2 | C19 | 150.4° | 156.4° |
| O6 | S | C2 | C19 | 20.8° | 23.5° |
| C2 | C19 | C20 | H13 | 180.0° | 180.0° |
| C2 | C19 | C20 | C21 | 0.7° | 0.0° |
| C19 | C2 | C1 | H1 | 180.0° | 180.0° |
| C2 | C19 | C20 | H14 | 179.3° | 180.0° |
| C19 | C20 | C21 | H14 | 180.0° | 180.0° |
| C19 | C20 | C21 | C | 0.1° | 0.2° |
| C19 | C20 | C21 | O7 | 179.1° | 180.0° |
| C20 | C21 | C | O7 | 179.0° | 179.7° |
| C21 | C20 | C19 | H13 | 179.2° | 180.0° |
| C20 | C21 | O7 | H15 | 180.0° | 90.0° |
| C21 | C | C1 | H1 | 179.2° | 179.7° |
| C | C21 | C20 | H14 | 179.9° | 179.8° |
| C | C21 | O7 | H15 | 1.0° | 89.7° |
| C21 | C | O | H | 3.7° | 89.5° |
| O7 | C21 | C20 | H14 | 0.9° | 0.0° |
| H3 | C6 | C7 | H4 | 1.1° | 0.1° |
| H12 | C18 | C17 | H11 | 0.5° | 0.0° |
| H13 | C19 | C20 | H14 | 0.8° | 0.0° |
| H6 | C11 | C10 | H5 | 1.2° | 0.3° |






