WWL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | S10 | doub | 1.42Å | 1.54Å | |
| C18 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| S10 | O12 | doub | 1.42Å | 1.48Å | |
| S10 | C13 | sing | 1.76Å | 1.80Å | |
| S10 | C7 | sing | 1.76Å | 1.76Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.33Å | 1.37Å | Aromatic |
| C7 | S8 | sing | 1.76Å | 1.61Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.43Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.44Å | Aromatic |
| S8 | C9 | sing | 1.76Å | 1.65Å | Aromatic |
| C5 | C9 | doub | 1.33Å | 1.42Å | Aromatic |
| C9 | S2 | sing | 1.76Å | 1.73Å | |
| N4 | S2 | sing | 1.66Å | 1.68Å | |
| O3 | S2 | doub | 1.42Å | 1.49Å | |
| S2 | O1 | doub | 1.42Å | 1.49Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| N4 | H3 | sing | 0.97Å | 1.00Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | S10 | O12 | 105.6° | 123.1° |
| O11 | S10 | C13 | 107.3° | 106.4° |
| O11 | S10 | C7 | 104.8° | 106.4° |
| C17 | C18 | C13 | 120.1° | 120.0° |
| C18 | C17 | C16 | 119.1° | 120.0° |
| C17 | C18 | H5 | 120.0° | 120.0° |
| C18 | C17 | H6 | 120.5° | 120.0° |
| C18 | C13 | S10 | 117.4° | 120.0° |
| C18 | C13 | C14 | 121.9° | 120.0° |
| C13 | C18 | H5 | 119.9° | 120.0° |
| C17 | C16 | C15 | 120.7° | 120.0° |
| C16 | C17 | H6 | 120.5° | 120.0° |
| C17 | C16 | H7 | 119.7° | 120.1° |
| O12 | S10 | C13 | 116.0° | 106.4° |
| O12 | S10 | C7 | 109.1° | 106.4° |
| C13 | S10 | C7 | 113.1° | 107.2° |
| S10 | C13 | C14 | 120.7° | 120.0° |
| S10 | C7 | C6 | 119.7° | 125.2° |
| S10 | C7 | S8 | 122.2° | 125.2° |
| C13 | C14 | C15 | 117.7° | 120.0° |
| C13 | C14 | H9 | 121.1° | 120.0° |
| C6 | C7 | S8 | 117.9° | 109.6° |
| C7 | C6 | C5 | 109.1° | 114.9° |
| C7 | C6 | H2 | 125.5° | 122.5° |
| C7 | S8 | C9 | 90.3° | 91.0° |
| C6 | C5 | C9 | 107.8° | 114.9° |
| C6 | C5 | H1 | 126.1° | 122.6° |
| C5 | C6 | H2 | 125.4° | 122.6° |
| C16 | C15 | C14 | 120.5° | 120.0° |
| C15 | C16 | H7 | 119.6° | 119.9° |
| C16 | C15 | H8 | 119.7° | 120.0° |
| C14 | C15 | H8 | 119.7° | 120.0° |
| C15 | C14 | H9 | 121.2° | 120.0° |
| S8 | C9 | C5 | 114.6° | 109.6° |
| S8 | C9 | S2 | 119.3° | 125.2° |
| C5 | C9 | S2 | 126.0° | 125.2° |
| C9 | C5 | H1 | 126.1° | 122.5° |
| C9 | S2 | N4 | 103.7° | 107.2° |
| C9 | S2 | O3 | 108.9° | 106.4° |
| C9 | S2 | O1 | 111.0° | 106.4° |
| N4 | S2 | O3 | 113.3° | 106.4° |
| N4 | S2 | O1 | 106.5° | 106.4° |
| S2 | N4 | H3 | 109.5° | 120.0° |
| S2 | N4 | H4 | 109.5° | 120.0° |
| O3 | S2 | O1 | 113.1° | 123.1° |
| H3 | N4 | H4 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | S10 | C13 | C18 | 17.0° | 23.8° |
| O11 | S10 | O12 | C13 | 118.6° | 123.0° |
| O11 | S10 | O12 | C7 | 112.2° | 122.9° |
| O11 | S10 | C13 | C7 | 115.1° | 113.6° |
| O11 | S10 | C13 | C14 | 165.3° | 156.5° |
| O11 | S10 | C7 | C6 | 69.0° | 23.5° |
| O11 | S10 | C7 | S8 | 116.3° | 156.7° |
| C17 | C18 | C13 | H5 | 180.0° | 179.9° |
| C18 | C17 | C16 | H6 | 180.0° | 180.0° |
| C17 | C18 | C13 | S10 | 179.0° | 180.0° |
| C17 | C18 | C13 | C14 | 1.3° | 0.4° |
| C18 | C17 | C16 | C15 | 0.9° | 0.0° |
| C18 | C17 | C16 | H7 | 179.0° | 180.0° |
| C13 | C18 | C17 | C16 | 0.1° | 0.1° |
| C18 | C13 | S10 | O12 | 134.7° | 156.8° |
| C18 | C13 | S10 | C14 | 177.7° | 179.7° |
| C18 | C13 | S10 | C7 | 98.1° | 89.7° |
| C18 | C13 | C14 | C15 | 1.8° | 0.5° |
| C13 | C18 | C17 | H6 | 179.9° | 180.0° |
| C18 | C13 | C14 | H9 | 178.2° | 179.7° |
| C17 | C16 | C15 | H7 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.4° | 0.2° |
| C16 | C17 | C18 | H5 | 179.9° | 180.0° |
| C17 | C16 | C15 | H8 | 179.5° | 179.9° |
| O12 | S10 | C13 | C7 | 127.2° | 113.5° |
| O12 | S10 | C13 | C14 | 47.6° | 23.6° |
| O12 | S10 | C7 | C6 | 178.2° | 156.4° |
| O12 | S10 | C7 | S8 | 3.5° | 23.8° |
| C13 | S10 | C7 | C6 | 47.5° | 90.0° |
| C13 | S10 | C7 | S8 | 127.2° | 89.7° |
| S10 | C13 | C14 | C15 | 179.4° | 179.8° |
| S10 | C13 | C18 | H5 | 1.0° | 0.1° |
| S10 | C13 | C14 | H9 | 0.6° | 0.1° |
| C7 | S10 | C13 | C14 | 79.6° | 89.9° |
| S10 | C7 | C6 | S8 | 175.0° | 179.8° |
| S10 | C7 | C6 | C5 | 178.7° | 180.0° |
| S10 | C7 | S8 | C9 | 179.9° | 180.0° |
| S10 | C7 | C6 | H2 | 1.3° | 0.1° |
| C13 | C14 | C15 | C16 | 0.9° | 0.4° |
| C13 | C14 | C15 | H9 | 180.0° | 179.7° |
| C14 | C13 | C18 | H5 | 178.7° | 179.7° |
| C13 | C14 | C15 | H8 | 179.1° | 179.7° |
| C7 | C6 | C5 | H2 | 180.0° | 179.8° |
| C6 | C7 | S8 | C9 | 5.1° | 0.2° |
| C7 | C6 | C5 | C9 | 0.2° | 0.0° |
| C7 | C6 | C5 | H1 | 179.8° | 179.8° |
| S8 | C7 | C6 | C5 | 3.7° | 0.2° |
| C7 | S8 | C9 | C5 | 5.0° | 0.2° |
| C7 | S8 | C9 | S2 | 179.3° | 180.0° |
| S8 | C7 | C6 | H2 | 176.3° | 179.6° |
| C6 | C5 | C9 | S8 | 3.8° | 0.2° |
| C6 | C5 | C9 | H1 | 180.0° | 179.9° |
| C6 | C5 | C9 | S2 | 179.1° | 180.0° |
| C16 | C15 | C14 | H8 | 180.0° | 179.9° |
| C15 | C16 | C17 | H6 | 179.1° | 179.9° |
| C16 | C15 | C14 | H9 | 179.1° | 179.8° |
| C14 | C15 | C16 | H7 | 179.5° | 179.8° |
| S8 | C9 | C5 | S2 | 175.4° | 179.8° |
| S8 | C9 | S2 | N4 | 140.3° | 90.0° |
| S8 | C9 | S2 | O3 | 19.4° | 156.5° |
| S8 | C9 | S2 | O1 | 105.7° | 23.6° |
| S8 | C9 | C5 | H1 | 176.2° | 180.0° |
| C5 | C9 | S2 | N4 | 44.5° | 90.3° |
| C5 | C9 | S2 | O3 | 165.5° | 23.3° |
| C5 | C9 | S2 | O1 | 69.4° | 156.2° |
| C9 | C5 | C6 | H2 | 179.8° | 179.8° |
| C9 | S2 | N4 | O3 | 117.9° | 113.6° |
| C9 | S2 | N4 | O1 | 117.1° | 113.5° |
| C9 | S2 | O3 | O1 | 123.8° | 122.9° |
| S2 | C9 | C5 | H1 | 0.9° | 0.2° |
| C9 | S2 | N4 | H3 | 180.0° | 0.1° |
| C9 | S2 | N4 | H4 | 60.0° | 180.0° |
| N4 | S2 | O3 | O1 | 121.3° | 122.9° |
| S2 | N4 | H3 | H4 | 120.0° | 179.9° |
| O3 | S2 | N4 | H3 | 62.0° | 113.5° |
| O3 | S2 | N4 | H4 | 57.9° | 66.4° |
| O1 | S2 | N4 | H3 | 62.9° | 113.6° |
| O1 | S2 | N4 | H4 | 177.1° | 66.5° |
| H1 | C5 | C6 | H2 | 0.1° | 0.3° |
| H5 | C18 | C17 | H6 | 0.1° | 0.1° |
| H6 | C17 | C16 | H7 | 1.0° | 0.0° |
| H7 | C16 | C15 | H8 | 0.5° | 0.1° |
| H8 | C15 | C14 | H9 | 0.9° | 0.1° |
