WVF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | sing | 1.36Å | 1.36Å | |
| C | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | S | sing | 1.76Å | 1.76Å | |
| C3 | S | sing | 1.76Å | 1.77Å | |
| C3 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.43Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.36Å | 1.37Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| S1 | C8 | sing | 1.76Å | 1.76Å | |
| C9 | S1 | sing | 1.76Å | 1.76Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C13 | sing | 1.36Å | 1.36Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| O2 | S1 | doub | 1.42Å | 1.44Å | |
| O3 | 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 | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.36Å | 1.36Å | Aromatic |
| C18 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| O4 | S | doub | 1.42Å | 1.44Å | |
| S | O5 | doub | 1.42Å | 1.44Å | |
| C19 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 119.8° | 120.1° |
| O | C | C21 | 119.9° | 120.0° |
| C | O | H | 109.5° | 114.0° |
| C | C1 | C2 | 119.5° | 120.0° |
| C1 | C | C21 | 120.3° | 119.9° |
| C | C1 | H1 | 120.2° | 120.0° |
| C1 | C2 | S | 119.3° | 120.0° |
| C1 | C2 | C19 | 120.8° | 120.0° |
| C2 | C1 | H1 | 120.3° | 120.0° |
| C2 | S | C3 | 105.7° | 107.2° |
| C2 | S | O4 | 107.6° | 106.4° |
| C2 | S | O5 | 108.4° | 106.4° |
| S | C2 | C19 | 119.8° | 120.0° |
| S | C3 | C4 | 119.9° | 119.5° |
| S | C3 | C18 | 118.6° | 119.5° |
| C3 | S | O4 | 107.1° | 106.4° |
| C3 | S | O5 | 108.4° | 106.4° |
| C3 | C4 | C5 | 119.1° | 119.7° |
| C4 | C3 | C18 | 121.5° | 121.0° |
| C3 | C4 | H2 | 120.4° | 120.2° |
| C4 | C5 | C6 | 122.6° | 121.3° |
| C4 | C5 | C16 | 119.0° | 119.3° |
| C5 | C4 | H2 | 120.5° | 120.2° |
| C5 | C6 | C7 | 120.9° | 119.7° |
| C6 | C5 | C16 | 118.5° | 119.4° |
| C5 | C6 | H3 | 119.6° | 120.2° |
| C6 | C7 | C8 | 120.1° | 121.0° |
| C6 | C7 | H4 | 119.9° | 119.5° |
| C7 | C6 | H3 | 119.5° | 120.1° |
| C7 | C8 | S1 | 119.2° | 119.5° |
| C7 | C8 | C15 | 121.5° | 121.0° |
| C8 | C7 | H4 | 120.0° | 119.5° |
| C8 | S1 | C9 | 104.4° | 107.2° |
| C8 | S1 | O2 | 109.1° | 106.4° |
| C8 | S1 | O3 | 107.1° | 106.5° |
| S1 | C8 | C15 | 119.3° | 119.5° |
| S1 | C9 | C10 | 120.2° | 119.9° |
| S1 | C9 | C14 | 118.9° | 120.0° |
| C9 | S1 | O2 | 108.0° | 106.4° |
| C9 | S1 | O3 | 108.3° | 106.4° |
| C9 | C10 | C11 | 119.0° | 120.1° |
| C10 | C9 | C14 | 120.8° | 120.1° |
| C9 | C10 | H5 | 120.5° | 120.0° |
| C10 | C11 | C12 | 120.6° | 120.0° |
| C11 | C10 | H5 | 120.5° | 119.9° |
| C10 | C11 | H6 | 119.7° | 119.9° |
| C11 | C12 | C13 | 119.6° | 120.0° |
| C11 | C12 | H7 | 120.2° | 120.0° |
| C12 | C11 | H6 | 119.7° | 120.0° |
| C12 | C13 | O1 | 122.0° | 120.1° |
| C12 | C13 | C14 | 120.2° | 119.9° |
| C13 | C12 | H7 | 120.2° | 120.0° |
| O1 | C13 | C14 | 117.7° | 120.0° |
| C13 | O1 | H8 | 109.5° | 114.0° |
| C13 | C14 | C9 | 119.8° | 119.9° |
| C13 | C14 | H9 | 120.1° | 120.0° |
| C9 | C14 | H9 | 120.1° | 120.1° |
| O2 | S1 | O3 | 118.9° | 123.2° |
| C8 | C15 | C16 | 119.6° | 119.7° |
| C8 | C15 | H10 | 120.2° | 120.2° |
| C15 | C16 | C5 | 119.4° | 119.3° |
| C15 | C16 | C17 | 121.7° | 121.3° |
| C16 | C15 | H10 | 120.2° | 120.2° |
| C5 | C16 | C17 | 118.9° | 119.4° |
| C16 | C17 | C18 | 121.2° | 119.6° |
| C16 | C17 | H11 | 119.4° | 120.2° |
| C17 | C18 | C3 | 120.3° | 121.0° |
| C18 | C17 | H11 | 119.4° | 120.2° |
| C17 | C18 | H12 | 119.8° | 119.5° |
| C3 | C18 | H12 | 119.9° | 119.5° |
| O4 | S | O5 | 119.0° | 123.2° |
| C2 | C19 | C20 | 119.1° | 120.1° |
| C2 | C19 | H13 | 120.5° | 119.9° |
| C19 | C20 | C21 | 120.7° | 120.1° |
| C20 | C19 | H13 | 120.5° | 120.0° |
| C19 | C20 | H14 | 119.7° | 120.0° |
| C20 | C21 | C | 119.6° | 119.9° |
| C21 | C20 | H14 | 119.7° | 120.0° |
| C20 | C21 | H15 | 120.2° | 120.0° |
| C | C21 | H15 | 120.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | C21 | 179.4° | 180.0° |
| O | C | C1 | C2 | 179.3° | 180.0° |
| O | C | C21 | C20 | 179.7° | 179.8° |
| O | C | C1 | H1 | 0.7° | 0.0° |
| O | C | C21 | H15 | 0.3° | 0.1° |
| C | C1 | C2 | H1 | 180.0° | 180.0° |
| C | C1 | C2 | S | 177.1° | 180.0° |
| C | C1 | C2 | C19 | 1.3° | 0.2° |
| C1 | C | C21 | C20 | 0.9° | 0.2° |
| C1 | C | C21 | H15 | 179.1° | 180.0° |
| C1 | C | O | H | 180.0° | 90.0° |
| C1 | C2 | S | C19 | 178.4° | 179.7° |
| C1 | C2 | S | C3 | 98.8° | 90.0° |
| C1 | C2 | S | O4 | 147.1° | 23.5° |
| C1 | C2 | S | O5 | 17.2° | 156.5° |
| C1 | C2 | C19 | C20 | 1.4° | 0.2° |
| C2 | C1 | C | C21 | 0.1° | 0.0° |
| C1 | C2 | C19 | H13 | 178.7° | 179.7° |
| C2 | S | C3 | O4 | 114.5° | 113.5° |
| C2 | S | C3 | O5 | 116.0° | 113.5° |
| C2 | S | C3 | C4 | 84.4° | 90.0° |
| C2 | S | C3 | C18 | 95.7° | 90.0° |
| C2 | S | O4 | O5 | 123.6° | 123.0° |
| S | C2 | C19 | C20 | 177.0° | 180.0° |
| S | C2 | C1 | H1 | 2.9° | 0.0° |
| S | C2 | C19 | H13 | 2.9° | 0.0° |
| S | C3 | C4 | C18 | 179.9° | 180.0° |
| S | C3 | C4 | C5 | 180.0° | 180.0° |
| S | C3 | C18 | C17 | 179.5° | 180.0° |
| C3 | S | O4 | O5 | 123.1° | 122.9° |
| C3 | S | C2 | C19 | 79.6° | 90.3° |
| S | C3 | C18 | H12 | 0.6° | 0.1° |
| S | C3 | C4 | H2 | 0.0° | 0.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 179.1° | 179.9° |
| C3 | C4 | C5 | C16 | 1.1° | 0.0° |
| C4 | C3 | C18 | C17 | 0.4° | 0.1° |
| C4 | C3 | S | O4 | 161.1° | 23.6° |
| C4 | C3 | S | O5 | 31.6° | 156.5° |
| C4 | C3 | C18 | H12 | 179.5° | 180.0° |
| C4 | C5 | C6 | C16 | 179.8° | 179.9° |
| C4 | C5 | C6 | C7 | 179.4° | 179.5° |
| C4 | C5 | C16 | C15 | 178.8° | 180.0° |
| C4 | C5 | C16 | C17 | 1.6° | 0.0° |
| C5 | C4 | C3 | C18 | 0.1° | 0.0° |
| C4 | C5 | C6 | H3 | 0.6° | 0.0° |
| C5 | C6 | C7 | H3 | 180.0° | 179.4° |
| C5 | C6 | C7 | C8 | 0.1° | 0.8° |
| C6 | C5 | C16 | C15 | 1.0° | 0.0° |
| C6 | C5 | C16 | C17 | 178.6° | 179.9° |
| C6 | C5 | C4 | H2 | 0.9° | 0.0° |
| C5 | C6 | C7 | H4 | 179.9° | 179.7° |
| C6 | C7 | C8 | H4 | 180.0° | 179.5° |
| C6 | C7 | C8 | S1 | 178.6° | 179.5° |
| C6 | C7 | C8 | C15 | 0.1° | 0.6° |
| C7 | C6 | C5 | C16 | 0.3° | 0.6° |
| C7 | C8 | S1 | C15 | 178.7° | 179.9° |
| C7 | C8 | S1 | C9 | 79.6° | 90.0° |
| C7 | C8 | S1 | O2 | 165.1° | 23.5° |
| C7 | C8 | S1 | O3 | 35.2° | 156.4° |
| C7 | C8 | C15 | C16 | 0.8° | 0.0° |
| C7 | C8 | C15 | H10 | 179.2° | 179.7° |
| C8 | C7 | C6 | H3 | 179.9° | 179.7° |
| C8 | S1 | C9 | O2 | 116.0° | 113.5° |
| C8 | S1 | C9 | O3 | 113.9° | 113.6° |
| C8 | S1 | C9 | C10 | 94.0° | 90.0° |
| C8 | S1 | C9 | C14 | 81.8° | 90.0° |
| C8 | S1 | O2 | O3 | 123.2° | 123.0° |
| S1 | C8 | C15 | C16 | 177.9° | 179.9° |
| S1 | C8 | C15 | H10 | 2.1° | 0.2° |
| S1 | C8 | C7 | H4 | 1.5° | 0.0° |
| S1 | C9 | C10 | C14 | 175.8° | 179.9° |
| S1 | C9 | C10 | C11 | 175.3° | 180.0° |
| S1 | C9 | C14 | C13 | 175.8° | 180.0° |
| C9 | S1 | O2 | O3 | 123.9° | 122.9° |
| C9 | S1 | C8 | C15 | 101.7° | 90.0° |
| S1 | C9 | C10 | H5 | 4.7° | 0.3° |
| S1 | C9 | C14 | H9 | 4.2° | 0.3° |
| C9 | C10 | C11 | H5 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.5° | 0.3° |
| C10 | C9 | C14 | C13 | 0.0° | 0.0° |
| C10 | C9 | S1 | O2 | 22.0° | 156.5° |
| C10 | C9 | S1 | O3 | 152.0° | 23.6° |
| C10 | C9 | C14 | H9 | 180.0° | 179.8° |
| C9 | C10 | C11 | H6 | 179.5° | 179.7° |
| C10 | C11 | C12 | H6 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.6° |
| C11 | C10 | C9 | C14 | 0.4° | 0.1° |
| C10 | C11 | C12 | H7 | 179.9° | 180.0° |
| C11 | C12 | C13 | H7 | 180.0° | 179.4° |
| C11 | C12 | C13 | O1 | 178.7° | 179.7° |
| C11 | C12 | C13 | C14 | 0.3° | 0.5° |
| C12 | C11 | C10 | H5 | 179.5° | 180.0° |
| C12 | C13 | O1 | C14 | 179.0° | 179.7° |
| C12 | C13 | C14 | C9 | 0.4° | 0.3° |
| C12 | C13 | C14 | H9 | 179.6° | 180.0° |
| C12 | C13 | O1 | H8 | 180.0° | 90.3° |
| C13 | C12 | C11 | H6 | 179.9° | 179.5° |
| O1 | C13 | C14 | C9 | 178.7° | 180.0° |
| O1 | C13 | C14 | H9 | 1.3° | 0.3° |
| O1 | C13 | C12 | H7 | 1.3° | 0.3° |
| C13 | C14 | C9 | H9 | 180.0° | 179.7° |
| C14 | C13 | O1 | H8 | 1.0° | 90.0° |
| C14 | C13 | C12 | H7 | 179.6° | 180.0° |
| C14 | C9 | S1 | O2 | 162.1° | 23.5° |
| C14 | C9 | S1 | O3 | 32.1° | 156.5° |
| C14 | C9 | C10 | H5 | 179.6° | 179.7° |
| O2 | S1 | C8 | C15 | 13.6° | 156.5° |
| O3 | S1 | C8 | C15 | 143.5° | 23.5° |
| C8 | C15 | C16 | H10 | 180.0° | 179.7° |
| C8 | C15 | C16 | C5 | 1.3° | 0.2° |
| C8 | C15 | C16 | C17 | 178.4° | 179.8° |
| C15 | C8 | C7 | H4 | 179.9° | 179.9° |
| C15 | C16 | C5 | C17 | 179.6° | 180.0° |
| C15 | C16 | C17 | C18 | 179.3° | 180.0° |
| C15 | C16 | C17 | H11 | 0.7° | 0.1° |
| C5 | C16 | C17 | C18 | 1.1° | 0.0° |
| C5 | C16 | C15 | H10 | 178.8° | 180.0° |
| C5 | C16 | C17 | H11 | 178.9° | 179.9° |
| C16 | C5 | C4 | H2 | 178.9° | 180.0° |
| C16 | C5 | C6 | H3 | 179.7° | 180.0° |
| C16 | C17 | C18 | H11 | 180.0° | 179.9° |
| C16 | C17 | C18 | C3 | 0.1° | 0.1° |
| C17 | C16 | C15 | H10 | 1.6° | 0.0° |
| C16 | C17 | C18 | H12 | 179.9° | 180.0° |
| C17 | C18 | C3 | H12 | 180.0° | 179.9° |
| C18 | C3 | S | O4 | 18.8° | 156.4° |
| C18 | C3 | S | O5 | 148.3° | 23.5° |
| C3 | C18 | C17 | H11 | 179.9° | 180.0° |
| C18 | C3 | C4 | H2 | 179.9° | 180.0° |
| O4 | S | C2 | C19 | 34.5° | 156.2° |
| O5 | S | C2 | C19 | 164.4° | 23.2° |
| C2 | C19 | C20 | H13 | 180.0° | 179.9° |
| C2 | C19 | C20 | C21 | 0.3° | 0.0° |
| C19 | C2 | C1 | H1 | 178.8° | 179.8° |
| C2 | C19 | C20 | H14 | 179.7° | 179.9° |
| C19 | C20 | C21 | H14 | 180.0° | 180.0° |
| C19 | C20 | C21 | C | 0.8° | 0.3° |
| C19 | C20 | C21 | H15 | 179.2° | 180.0° |
| C20 | C21 | C | H15 | 180.0° | 179.7° |
| C21 | C20 | C19 | H13 | 179.7° | 179.9° |
| C21 | C | C1 | H1 | 179.9° | 180.0° |
| C | C21 | C20 | H14 | 179.2° | 179.7° |
| C21 | C | O | H | 0.6° | 90.0° |
| H5 | C10 | C11 | H6 | 0.5° | 0.1° |
| H11 | C17 | C18 | H12 | 0.0° | 0.1° |
| H13 | C19 | C20 | H14 | 0.3° | 0.0° |
| H14 | C20 | C21 | H15 | 0.8° | 0.0° |
| H4 | C7 | C6 | H3 | 0.1° | 0.2° |
| H7 | C12 | C11 | H6 | 0.1° | 0.1° |






