WXZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL20 | C19 | sing | 1.74Å | 1.69Å | |
| C19 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C9 | sing | 1.48Å | 1.41Å | |
| C10 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C6 | sing | 1.51Å | 1.44Å | |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C11 | sing | 1.53Å | 1.45Å | |
| C1 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C7 | sing | 1.53Å | 1.52Å | |
| C3 | C8 | sing | 1.51Å | 1.53Å | |
| C11 | C7 | sing | 1.53Å | 1.43Å | |
| C8 | O13 | doub | 1.21Å | 1.25Å | |
| C8 | O12 | sing | 1.34Å | 1.37Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| O12 | H11 | sing | 0.97Å | 0.95Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL20 | C19 | C17 | 121.9° | 119.9° |
| CL20 | C19 | C18 | 116.0° | 119.9° |
| C17 | C19 | C18 | 122.0° | 120.2° |
| C19 | C17 | C15 | 119.1° | 120.1° |
| C19 | C17 | H14 | 120.5° | 119.9° |
| C19 | C18 | C16 | 119.4° | 120.1° |
| C19 | C18 | H15 | 120.3° | 119.9° |
| C17 | C15 | C14 | 118.4° | 119.9° |
| C17 | C15 | H12 | 120.8° | 120.0° |
| C15 | C17 | H14 | 120.5° | 120.0° |
| C18 | C16 | C14 | 119.4° | 119.9° |
| C18 | C16 | H13 | 120.3° | 120.1° |
| C16 | C18 | H15 | 120.3° | 120.0° |
| C15 | C14 | C16 | 121.8° | 119.8° |
| C15 | C14 | C9 | 120.0° | 120.1° |
| C14 | C15 | H12 | 120.8° | 120.0° |
| C16 | C14 | C9 | 118.3° | 120.1° |
| C14 | C16 | H13 | 120.3° | 120.1° |
| C14 | C9 | C10 | 119.1° | 120.2° |
| C14 | C9 | C4 | 119.5° | 120.3° |
| C9 | C10 | C5 | 118.4° | 119.6° |
| C10 | C9 | C4 | 121.4° | 119.5° |
| C9 | C10 | H8 | 120.8° | 120.2° |
| C10 | C5 | C2 | 120.4° | 120.8° |
| C10 | C5 | H3 | 119.8° | 119.6° |
| C5 | C10 | H8 | 120.8° | 120.2° |
| C9 | C4 | C1 | 121.8° | 120.5° |
| C9 | C4 | H2 | 119.1° | 119.8° |
| C5 | C2 | C6 | 118.1° | 117.7° |
| C5 | C2 | C1 | 122.2° | 119.9° |
| C2 | C5 | H3 | 119.8° | 119.6° |
| C4 | C1 | C2 | 115.9° | 119.7° |
| C4 | C1 | C3 | 121.8° | 117.7° |
| C1 | C4 | H2 | 119.2° | 119.7° |
| C6 | C2 | C1 | 119.7° | 122.4° |
| C2 | C6 | C11 | 113.1° | 110.6° |
| C2 | C6 | H4 | 108.5° | 109.2° |
| C2 | C6 | H5 | 108.5° | 109.2° |
| C2 | C1 | C3 | 122.2° | 122.6° |
| C6 | C11 | C7 | 116.3° | 108.4° |
| C11 | C6 | H4 | 108.5° | 109.3° |
| C11 | C6 | H5 | 108.6° | 109.3° |
| C6 | C11 | H9 | 107.7° | 109.7° |
| C6 | C11 | H10 | 107.7° | 109.6° |
| C1 | C3 | C7 | 112.6° | 110.6° |
| C1 | C3 | C8 | 117.9° | 109.3° |
| C1 | C3 | H1 | 104.2° | 109.3° |
| C7 | C3 | C8 | 112.4° | 109.2° |
| C3 | C7 | C11 | 118.1° | 108.3° |
| C7 | C3 | H1 | 104.0° | 109.3° |
| C3 | C7 | H6 | 107.3° | 109.7° |
| C3 | C7 | H7 | 107.3° | 109.7° |
| C3 | C8 | O13 | 131.2° | 120.0° |
| C3 | C8 | O12 | 114.8° | 119.9° |
| C8 | C3 | H1 | 103.9° | 109.2° |
| C11 | C7 | H6 | 107.3° | 109.7° |
| C11 | C7 | H7 | 107.3° | 109.7° |
| C7 | C11 | H9 | 107.7° | 109.7° |
| C7 | C11 | H10 | 107.8° | 109.7° |
| O13 | C8 | O12 | 114.0° | 120.0° |
| C8 | O12 | H11 | 109.5° | 117.0° |
| H4 | C6 | H5 | 109.5° | 109.2° |
| H6 | C7 | H7 | 109.4° | 109.7° |
| H9 | C11 | H10 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL20 | C19 | C17 | C18 | 176.7° | 179.8° |
| CL20 | C19 | C17 | C15 | 179.3° | 180.0° |
| CL20 | C19 | C18 | C16 | 179.0° | 180.0° |
| CL20 | C19 | C17 | H14 | 0.7° | 0.0° |
| CL20 | C19 | C18 | H15 | 1.0° | 0.0° |
| C19 | C17 | C15 | H14 | 180.0° | 180.0° |
| C17 | C19 | C18 | C16 | 2.1° | 0.2° |
| C19 | C17 | C15 | C14 | 2.8° | 0.1° |
| C19 | C17 | C15 | H12 | 177.2° | 180.0° |
| C17 | C19 | C18 | H15 | 177.9° | 179.8° |
| C18 | C19 | C17 | C15 | 2.5° | 0.2° |
| C19 | C18 | C16 | H15 | 180.0° | 180.0° |
| C19 | C18 | C16 | C14 | 1.9° | 0.0° |
| C19 | C18 | C16 | H13 | 178.1° | 180.0° |
| C18 | C19 | C17 | H14 | 177.5° | 179.8° |
| C17 | C15 | C14 | H12 | 180.0° | 180.0° |
| C17 | C15 | C14 | C16 | 2.8° | 0.3° |
| C17 | C15 | C14 | C9 | 177.5° | 180.0° |
| C18 | C16 | C14 | C15 | 2.3° | 0.3° |
| C18 | C16 | C14 | H13 | 180.0° | 180.0° |
| C18 | C16 | C14 | C9 | 177.9° | 180.0° |
| C15 | C14 | C16 | C9 | 179.8° | 179.7° |
| C15 | C14 | C9 | C10 | 35.7° | 0.1° |
| C15 | C14 | C9 | C4 | 142.3° | 180.0° |
| C15 | C14 | C16 | H13 | 177.7° | 179.7° |
| C14 | C15 | C17 | H14 | 177.2° | 180.0° |
| C16 | C14 | C9 | C10 | 144.1° | 179.8° |
| C16 | C14 | C9 | C4 | 37.9° | 0.3° |
| C16 | C14 | C15 | H12 | 177.2° | 179.8° |
| C14 | C16 | C18 | H15 | 178.1° | 180.0° |
| C14 | C9 | C10 | C4 | 177.9° | 179.9° |
| C14 | C9 | C10 | C5 | 179.5° | 179.9° |
| C14 | C9 | C4 | C1 | 178.6° | 180.0° |
| C14 | C9 | C4 | H2 | 1.4° | 0.0° |
| C14 | C9 | C10 | H8 | 0.5° | 0.2° |
| C9 | C14 | C15 | H12 | 2.5° | 0.0° |
| C9 | C14 | C16 | H13 | 2.1° | 0.0° |
| C9 | C10 | C5 | H8 | 180.0° | 179.6° |
| C9 | C10 | C5 | C2 | 2.3° | 0.3° |
| C10 | C9 | C4 | C1 | 0.6° | 0.1° |
| C10 | C9 | C4 | H2 | 179.4° | 179.9° |
| C9 | C10 | C5 | H3 | 177.7° | 179.7° |
| C5 | C10 | C9 | C4 | 2.6° | 0.2° |
| C10 | C5 | C2 | H3 | 180.0° | 180.0° |
| C10 | C5 | C2 | C6 | 179.2° | 179.7° |
| C10 | C5 | C2 | C1 | 0.1° | 0.2° |
| C9 | C4 | C1 | H2 | 180.0° | 180.0° |
| C9 | C4 | C1 | C2 | 1.6° | 0.0° |
| C9 | C4 | C1 | C3 | 177.9° | 179.7° |
| C4 | C9 | C10 | H8 | 177.4° | 179.9° |
| C5 | C2 | C1 | C4 | 1.9° | 0.1° |
| C5 | C2 | C6 | C1 | 179.3° | 179.9° |
| C5 | C2 | C6 | C11 | 149.4° | 162.5° |
| C5 | C2 | C1 | C3 | 178.1° | 179.7° |
| C5 | C2 | C6 | H4 | 90.1° | 42.2° |
| C5 | C2 | C6 | H5 | 28.8° | 77.1° |
| C2 | C5 | C10 | H8 | 177.7° | 179.9° |
| C4 | C1 | C2 | C6 | 178.9° | 179.9° |
| C4 | C1 | C2 | C3 | 176.3° | 179.7° |
| C4 | C1 | C3 | C7 | 168.6° | 162.6° |
| C4 | C1 | C3 | C8 | 35.2° | 42.4° |
| C4 | C1 | C3 | H1 | 79.4° | 77.0° |
| C2 | C6 | C11 | H4 | 120.5° | 120.2° |
| C2 | C6 | C11 | H5 | 120.5° | 120.3° |
| C6 | C2 | C1 | C3 | 2.6° | 0.4° |
| C2 | C6 | C11 | C7 | 50.3° | 51.1° |
| C6 | C2 | C5 | H3 | 0.8° | 0.3° |
| C2 | C6 | H4 | H5 | 118.3° | 119.4° |
| C2 | C6 | C11 | H9 | 171.2° | 68.6° |
| C2 | C6 | C11 | H10 | 70.7° | 170.8° |
| C1 | C2 | C6 | C11 | 29.9° | 17.6° |
| C2 | C1 | C3 | C7 | 15.4° | 17.6° |
| C2 | C1 | C3 | C8 | 148.8° | 137.8° |
| C2 | C1 | C3 | H1 | 96.7° | 102.7° |
| C2 | C1 | C4 | H2 | 178.4° | 180.0° |
| C1 | C2 | C5 | H3 | 179.9° | 179.8° |
| C1 | C2 | C6 | H4 | 90.6° | 137.8° |
| C1 | C2 | C6 | H5 | 150.4° | 102.8° |
| C6 | C11 | C7 | C3 | 37.7° | 70.0° |
| C6 | C11 | C7 | H9 | 121.0° | 119.7° |
| C6 | C11 | C7 | H10 | 121.0° | 119.7° |
| C11 | C6 | H4 | H5 | 118.4° | 119.5° |
| C6 | C11 | C7 | H6 | 158.9° | 49.7° |
| C6 | C11 | C7 | H7 | 83.6° | 170.3° |
| C6 | C11 | H9 | H10 | 116.9° | 120.5° |
| C1 | C3 | C7 | C8 | 136.0° | 120.3° |
| C1 | C3 | C7 | H1 | 112.2° | 120.4° |
| C1 | C3 | C8 | H1 | 114.7° | 119.5° |
| C1 | C3 | C7 | C11 | 4.9° | 51.2° |
| C1 | C3 | C8 | O13 | 6.7° | 120.0° |
| C1 | C3 | C8 | O12 | 171.3° | 60.0° |
| C3 | C1 | C4 | H2 | 2.1° | 0.3° |
| C1 | C3 | C7 | H6 | 126.1° | 68.5° |
| C1 | C3 | C7 | H7 | 116.4° | 170.9° |
| C7 | C3 | C8 | H1 | 111.8° | 119.4° |
| C3 | C7 | C11 | H6 | 121.2° | 119.7° |
| C3 | C7 | C11 | H7 | 121.3° | 119.7° |
| C7 | C3 | C8 | O13 | 126.8° | 1.1° |
| C7 | C3 | C8 | O12 | 55.2° | 178.9° |
| C3 | C7 | H6 | H7 | 116.1° | 120.6° |
| C3 | C7 | C11 | H9 | 158.7° | 49.7° |
| C3 | C7 | C11 | H10 | 83.3° | 170.3° |
| C8 | C3 | C7 | C11 | 131.2° | 171.4° |
| C3 | C8 | O13 | O12 | 178.0° | 180.0° |
| C8 | C3 | C7 | H6 | 9.9° | 51.7° |
| C8 | C3 | C7 | H7 | 107.5° | 68.8° |
| C3 | C8 | O12 | H11 | 178.3° | 180.0° |
| C11 | C7 | C3 | H1 | 117.0° | 69.2° |
| C7 | C11 | C6 | H4 | 70.3° | 171.4° |
| C7 | C11 | C6 | H5 | 170.8° | 69.2° |
| C11 | C7 | H6 | H7 | 116.1° | 120.6° |
| C7 | C11 | H9 | H10 | 116.9° | 120.6° |
| O13 | C8 | C3 | H1 | 121.3° | 120.6° |
| O13 | C8 | O12 | H11 | 0.0° | 0.0° |
| O12 | C8 | C3 | H1 | 56.7° | 59.5° |
| H1 | C3 | C7 | H6 | 121.7° | 171.1° |
| H1 | C3 | C7 | H7 | 4.3° | 50.5° |
| H3 | C5 | C10 | H8 | 2.3° | 0.0° |
| H4 | C6 | C11 | H9 | 50.7° | 51.7° |
| H4 | C6 | C11 | H10 | 168.8° | 68.9° |
| H5 | C6 | C11 | H9 | 68.2° | 171.1° |
| H5 | C6 | C11 | H10 | 49.8° | 50.5° |
| H6 | C7 | C11 | H9 | 80.1° | 169.4° |
| H6 | C7 | C11 | H10 | 38.0° | 70.0° |
| H7 | C7 | C11 | H9 | 37.4° | 70.0° |
| H7 | C7 | C11 | H10 | 155.5° | 50.6° |
| H12 | C15 | C17 | H14 | 2.8° | 0.0° |
| H13 | C16 | C18 | H15 | 1.9° | 0.0° |
