WLZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | O7 | sing | 1.45Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | F1 | sing | 1.40Å | 1.41Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | O1 | doub | 1.21Å | 1.19Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | O2 | sing | 1.43Å | 1.41Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | O3 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | C11 | doub | 1.33Å | 1.32Å | |
| C11 | C12 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C17 | doub | 1.41Å | 1.43Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | O4 | sing | 1.36Å | 1.37Å | |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | O5 | sing | 1.36Å | 1.36Å | |
| C16 | C17 | sing | 1.41Å | 1.42Å | Aromatic |
| C17 | C18 | sing | 1.47Å | 1.49Å | |
| C18 | O6 | doub | 1.22Å | 1.20Å | |
| C18 | O7 | sing | 1.35Å | 1.33Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| O3 | H11 | sing | 0.97Å | 0.95Å | |
| O4 | H17 | sing | 0.97Å | 0.95Å | |
| O5 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 112.7° | 109.5° |
| C1 | C2 | O7 | 109.7° | 109.6° |
| C1 | C2 | H4 | 110.1° | 109.6° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C3 | C2 | O7 | 103.4° | 109.0° |
| C2 | C3 | C4 | 113.2° | 109.3° |
| C2 | C3 | H6 | 108.5° | 109.5° |
| C2 | C3 | H5 | 108.6° | 109.6° |
| C3 | C2 | H4 | 110.1° | 109.5° |
| C2 | O7 | C18 | 120.0° | 117.3° |
| O7 | C2 | H4 | 110.8° | 109.5° |
| C3 | C4 | C5 | 119.3° | 109.5° |
| C4 | C3 | H6 | 108.5° | 109.5° |
| C4 | C3 | H5 | 108.5° | 109.6° |
| C3 | C4 | H7 | 107.0° | 109.5° |
| C3 | C4 | H41 | 107.0° | 109.4° |
| C4 | C5 | F1 | 109.1° | 109.5° |
| C4 | C5 | C6 | 124.8° | 109.6° |
| C4 | C5 | H51 | 103.4° | 109.5° |
| C5 | C4 | H7 | 106.9° | 109.5° |
| C5 | C4 | H41 | 106.9° | 109.4° |
| F1 | C5 | C6 | 109.5° | 109.4° |
| F1 | C5 | H51 | 104.5° | 109.4° |
| C5 | C6 | O1 | 122.5° | 120.1° |
| C5 | C6 | C7 | 116.1° | 119.8° |
| C6 | C5 | H51 | 103.5° | 109.4° |
| O1 | C6 | C7 | 121.4° | 120.1° |
| C6 | C7 | O2 | 112.5° | 109.5° |
| C6 | C7 | C8 | 105.4° | 109.4° |
| C6 | C7 | H8 | 108.8° | 109.5° |
| O2 | C7 | C8 | 111.1° | 109.5° |
| O2 | C7 | H8 | 110.3° | 109.5° |
| C7 | O2 | H9 | 109.5° | 114.0° |
| C7 | C8 | O3 | 109.9° | 109.5° |
| C7 | C8 | C9 | 110.0° | 109.7° |
| C7 | C8 | H10 | 108.6° | 109.4° |
| C8 | C7 | H8 | 108.7° | 109.5° |
| O3 | C8 | C9 | 109.7° | 109.4° |
| O3 | C8 | H10 | 109.9° | 109.5° |
| C8 | O3 | H11 | 109.5° | 114.0° |
| C8 | C9 | C10 | 112.6° | 109.4° |
| C8 | C9 | H12 | 108.7° | 109.5° |
| C8 | C9 | H13 | 108.7° | 109.4° |
| C9 | C8 | H10 | 108.7° | 109.4° |
| C9 | C10 | C11 | 123.5° | 119.7° |
| C9 | C10 | H14 | 118.3° | 120.1° |
| C10 | C9 | H12 | 108.7° | 109.5° |
| C10 | C9 | H13 | 108.7° | 109.5° |
| C10 | C11 | C12 | 130.2° | 119.8° |
| C10 | C11 | H15 | 114.9° | 119.1° |
| C11 | C10 | H14 | 118.2° | 120.2° |
| C11 | C12 | C13 | 117.2° | 120.3° |
| C11 | C12 | C17 | 123.6° | 120.0° |
| C12 | C11 | H15 | 114.9° | 121.0° |
| C13 | C12 | C17 | 119.1° | 119.7° |
| C12 | C13 | C14 | 120.9° | 120.0° |
| C12 | C13 | H16 | 119.5° | 120.0° |
| C12 | C17 | C16 | 117.9° | 119.5° |
| C12 | C17 | C18 | 126.0° | 121.0° |
| C13 | C14 | O4 | 119.7° | 119.8° |
| C13 | C14 | C15 | 121.0° | 120.5° |
| C14 | C13 | H16 | 119.5° | 120.0° |
| O4 | C14 | C15 | 119.3° | 119.8° |
| C14 | O4 | H17 | 109.5° | 114.0° |
| C14 | C15 | C16 | 119.5° | 120.6° |
| C14 | C15 | H18 | 120.3° | 119.7° |
| C15 | C16 | O5 | 117.5° | 120.1° |
| C15 | C16 | C17 | 121.6° | 119.7° |
| C16 | C15 | H18 | 120.2° | 119.7° |
| O5 | C16 | C17 | 120.9° | 120.2° |
| C16 | O5 | H19 | 109.5° | 114.0° |
| C16 | C17 | C18 | 116.1° | 119.5° |
| C17 | C18 | O6 | 123.2° | 120.4° |
| C17 | C18 | O7 | 113.5° | 119.1° |
| O6 | C18 | O7 | 123.2° | 120.4° |
| H6 | C3 | H5 | 109.5° | 109.4° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.4° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.4° |
| H7 | C4 | H41 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | O7 | 118.3° | 119.9° |
| C1 | C2 | C3 | H4 | 123.3° | 120.2° |
| C1 | C2 | O7 | H4 | 121.8° | 120.3° |
| C1 | C2 | C3 | C4 | 172.0° | 26.3° |
| C1 | C2 | O7 | C18 | 72.2° | 84.7° |
| C1 | C2 | C3 | H6 | 51.4° | 93.6° |
| C1 | C2 | C3 | H5 | 67.5° | 146.4° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C2 | C1 | H2 | H1 | 120.0° | 119.9° |
| C3 | C2 | O7 | H4 | 117.9° | 119.9° |
| C2 | C3 | C4 | H6 | 120.5° | 119.9° |
| C2 | C3 | C4 | H5 | 120.6° | 120.0° |
| C2 | C3 | C4 | C5 | 144.5° | 175.8° |
| C3 | C2 | O7 | C18 | 167.4° | 35.1° |
| C2 | C3 | H6 | H5 | 118.3° | 120.1° |
| C3 | C2 | C1 | H3 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 180.0° |
| C3 | C2 | C1 | H1 | 60.0° | 60.0° |
| C2 | C3 | C4 | H7 | 23.1° | 55.7° |
| C2 | C3 | C4 | H41 | 94.1° | 64.3° |
| O7 | C2 | C3 | C4 | 69.7° | 146.2° |
| C2 | O7 | C18 | C17 | 174.5° | 179.0° |
| C2 | O7 | C18 | O6 | 5.2° | 1.0° |
| O7 | C2 | C3 | H6 | 169.7° | 26.3° |
| O7 | C2 | C3 | H5 | 50.8° | 93.7° |
| O7 | C2 | C1 | H3 | 65.5° | 179.5° |
| O7 | C2 | C1 | H2 | 54.5° | 60.4° |
| O7 | C2 | C1 | H1 | 174.6° | 59.5° |
| C3 | C4 | C5 | H7 | 121.4° | 120.0° |
| C3 | C4 | C5 | H41 | 121.4° | 119.9° |
| C3 | C4 | C5 | F1 | 139.2° | 138.3° |
| C3 | C4 | C5 | C6 | 7.1° | 101.7° |
| C3 | C4 | C5 | H51 | 110.1° | 18.3° |
| C4 | C3 | H6 | H5 | 118.3° | 120.1° |
| C4 | C3 | C2 | H4 | 48.6° | 93.9° |
| C3 | C4 | H7 | H41 | 115.6° | 119.9° |
| C4 | C5 | F1 | C6 | 139.7° | 120.1° |
| C4 | C5 | F1 | H51 | 110.0° | 120.0° |
| C4 | C5 | C6 | H51 | 117.2° | 120.0° |
| C4 | C5 | C6 | O1 | 33.2° | 90.0° |
| C4 | C5 | C6 | C7 | 148.5° | 90.0° |
| C5 | C4 | C3 | H6 | 95.0° | 55.9° |
| C5 | C4 | C3 | H5 | 23.9° | 64.2° |
| C5 | C4 | H7 | H41 | 115.5° | 120.0° |
| F1 | C5 | C6 | H51 | 110.9° | 119.9° |
| F1 | C5 | C6 | O1 | 98.7° | 30.0° |
| F1 | C5 | C6 | C7 | 79.5° | 150.0° |
| F1 | C5 | C4 | H7 | 99.4° | 101.7° |
| F1 | C5 | C4 | H41 | 17.8° | 18.3° |
| C5 | C6 | O1 | C7 | 178.1° | 180.0° |
| C5 | C6 | C7 | O2 | 176.5° | 116.7° |
| C5 | C6 | C7 | C8 | 55.4° | 123.3° |
| C6 | C5 | C4 | H7 | 128.5° | 18.3° |
| C6 | C5 | C4 | H41 | 114.3° | 138.4° |
| C5 | C6 | C7 | H8 | 61.0° | 3.3° |
| O1 | C6 | C7 | O2 | 5.2° | 63.3° |
| O1 | C6 | C7 | C8 | 126.3° | 56.6° |
| O1 | C6 | C5 | H51 | 150.4° | 150.0° |
| O1 | C6 | C7 | H8 | 117.3° | 176.6° |
| C6 | C7 | O2 | C8 | 117.8° | 120.0° |
| C6 | C7 | O2 | H8 | 121.6° | 120.0° |
| C6 | C7 | C8 | H8 | 116.4° | 120.0° |
| C6 | C7 | C8 | O3 | 169.1° | 42.7° |
| C6 | C7 | C8 | C9 | 70.0° | 162.8° |
| C7 | C6 | C5 | H51 | 31.4° | 30.1° |
| C6 | C7 | C8 | H10 | 48.9° | 77.2° |
| C6 | C7 | O2 | H9 | 2.2° | 60.0° |
| O2 | C7 | C8 | H8 | 121.5° | 120.0° |
| O2 | C7 | C8 | O3 | 68.9° | 162.7° |
| O2 | C7 | C8 | C9 | 52.1° | 77.2° |
| O2 | C7 | C8 | H10 | 171.0° | 42.8° |
| C7 | C8 | O3 | C9 | 121.1° | 120.2° |
| C7 | C8 | O3 | H10 | 119.4° | 119.9° |
| C7 | C8 | C9 | H10 | 118.8° | 120.0° |
| C7 | C8 | C9 | C10 | 155.3° | 95.1° |
| C7 | C8 | C9 | H12 | 84.2° | 144.8° |
| C7 | C8 | C9 | H13 | 34.9° | 24.8° |
| C8 | C7 | O2 | H9 | 120.0° | 180.0° |
| C7 | C8 | O3 | H11 | 180.0° | 179.8° |
| O3 | C8 | C9 | H10 | 120.2° | 119.9° |
| O3 | C8 | C9 | C10 | 83.6° | 25.0° |
| O3 | C8 | C9 | H12 | 36.8° | 95.1° |
| O3 | C8 | C9 | H13 | 155.9° | 144.9° |
| O3 | C8 | C7 | H8 | 52.7° | 77.2° |
| C8 | C9 | C10 | H12 | 120.5° | 120.1° |
| C8 | C9 | C10 | H13 | 120.5° | 119.9° |
| C8 | C9 | C10 | C11 | 110.2° | 146.3° |
| C8 | C9 | C10 | H14 | 69.8° | 35.2° |
| C8 | C9 | H12 | H13 | 118.6° | 120.0° |
| C9 | C8 | C7 | H8 | 173.6° | 42.8° |
| C9 | C8 | O3 | H11 | 58.9° | 60.0° |
| C9 | C10 | C11 | H14 | 180.0° | 178.5° |
| C9 | C10 | C11 | C12 | 175.1° | 178.3° |
| C9 | C10 | C11 | H15 | 4.9° | 1.4° |
| C10 | C9 | H12 | H13 | 118.6° | 120.0° |
| C10 | C9 | C8 | H10 | 36.5° | 144.9° |
| C10 | C11 | C12 | H15 | 180.0° | 176.9° |
| C10 | C11 | C12 | C13 | 25.9° | 140.0° |
| C10 | C11 | C12 | C17 | 152.1° | 40.9° |
| C11 | C10 | C9 | H12 | 129.3° | 93.6° |
| C11 | C10 | C9 | H13 | 10.3° | 26.4° |
| C11 | C12 | C13 | C17 | 178.1° | 179.1° |
| C11 | C12 | C13 | C14 | 179.6° | 179.4° |
| C11 | C12 | C17 | C16 | 178.9° | 178.9° |
| C11 | C12 | C17 | C18 | 1.8° | 2.2° |
| C11 | C12 | C13 | H16 | 0.4° | 0.6° |
| C12 | C11 | C10 | H14 | 4.9° | 0.2° |
| C12 | C13 | C14 | H16 | 180.0° | 180.0° |
| C12 | C13 | C14 | O4 | 179.1° | 180.0° |
| C12 | C13 | C14 | C15 | 1.2° | 0.0° |
| C13 | C12 | C17 | C16 | 0.9° | 2.0° |
| C13 | C12 | C17 | C18 | 179.8° | 176.9° |
| C13 | C12 | C11 | H15 | 154.1° | 36.9° |
| C17 | C12 | C13 | C14 | 1.5° | 1.5° |
| C12 | C17 | C16 | C15 | 0.0° | 1.1° |
| C12 | C17 | C16 | O5 | 179.5° | 179.0° |
| C12 | C17 | C16 | C18 | 179.3° | 178.9° |
| C12 | C17 | C18 | O6 | 175.2° | 4.0° |
| C12 | C17 | C18 | O7 | 4.5° | 176.0° |
| C17 | C12 | C13 | H16 | 178.5° | 178.5° |
| C17 | C12 | C11 | H15 | 27.9° | 142.2° |
| C13 | C14 | O4 | C15 | 179.6° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.9° |
| C13 | C14 | C15 | H18 | 179.6° | 179.1° |
| C13 | C14 | O4 | H17 | 180.0° | 90.0° |
| O4 | C14 | C15 | C16 | 180.0° | 179.1° |
| O4 | C14 | C13 | H16 | 0.9° | 0.1° |
| O4 | C14 | C15 | H18 | 0.0° | 0.9° |
| C14 | C15 | C16 | H18 | 180.0° | 180.0° |
| C14 | C15 | C16 | O5 | 179.8° | 179.6° |
| C14 | C15 | C16 | C17 | 0.2° | 0.4° |
| C15 | C14 | C13 | H16 | 178.7° | 180.0° |
| C15 | C14 | O4 | H17 | 0.3° | 90.0° |
| C15 | C16 | O5 | C17 | 179.6° | 179.9° |
| C15 | C16 | C17 | C18 | 179.4° | 177.8° |
| C15 | C16 | O5 | H19 | 177.8° | 90.0° |
| O5 | C16 | C17 | C18 | 0.2° | 2.1° |
| O5 | C16 | C15 | H18 | 0.2° | 0.4° |
| C16 | C17 | C18 | O6 | 4.1° | 177.1° |
| C16 | C17 | C18 | O7 | 176.2° | 2.9° |
| C17 | C16 | C15 | H18 | 179.8° | 179.6° |
| C17 | C16 | O5 | H19 | 1.8° | 90.0° |
| C17 | C18 | O6 | O7 | 179.7° | 180.0° |
| C18 | O7 | C2 | H4 | 49.5° | 155.0° |
| H15 | C11 | C10 | H14 | 175.1° | 177.1° |
| H14 | C10 | C9 | H12 | 50.7° | 84.9° |
| H14 | C10 | C9 | H13 | 169.7° | 155.1° |
| H51 | C5 | C4 | H7 | 11.3° | 138.4° |
| H51 | C5 | C4 | H41 | 128.5° | 101.6° |
| H6 | C3 | C2 | H4 | 71.9° | 146.2° |
| H6 | C3 | C4 | H7 | 143.6° | 64.2° |
| H6 | C3 | C4 | H41 | 26.4° | 175.8° |
| H5 | C3 | C2 | H4 | 169.2° | 26.1° |
| H5 | C3 | C4 | H7 | 97.4° | 175.7° |
| H5 | C3 | C4 | H41 | 145.3° | 55.8° |
| H4 | C2 | C1 | H3 | 56.7° | 60.2° |
| H4 | C2 | C1 | H2 | 176.7° | 59.8° |
| H4 | C2 | C1 | H1 | 63.3° | 179.8° |
| H3 | C1 | H2 | H1 | 120.0° | 120.0° |
| H12 | C9 | C8 | H10 | 157.0° | 24.8° |
| H13 | C9 | C8 | H10 | 84.0° | 95.2° |
| H10 | C8 | C7 | H8 | 67.5° | 162.8° |
| H10 | C8 | O3 | H11 | 60.6° | 59.9° |
| H8 | C7 | O2 | H9 | 119.4° | 60.0° |
