Z5Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL28 | C26 | sing | 1.74Å | 1.79Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | F30 | sing | 1.35Å | 1.37Å | |
| C27 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | CL29 | sing | 1.74Å | 1.79Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C22 | C20 | sing | 1.51Å | 1.53Å | |
| C20 | O19 | sing | 1.43Å | 1.40Å | |
| O19 | C2 | sing | 1.36Å | 1.42Å | |
| C2 | C1 | doub | 1.37Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.39Å | |
| C13 | C11 | sing | 1.53Å | 1.39Å | |
| C1 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.38Å | |
| C3 | C4 | doub | 1.36Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C6 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C7 | doub | 1.41Å | 1.41Å | Aromatic |
| C9 | C14 | sing | 1.47Å | 1.54Å | |
| C9 | C8 | doub | 1.41Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.35Å | 1.33Å | |
| O17 | C16 | doub | 1.22Å | 1.26Å | |
| C15 | C16 | sing | 1.46Å | 1.53Å | |
| C16 | O18 | sing | 1.35Å | 1.26Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C4 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| O18 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL28 | C26 | C25 | 120.4° | 120.1° |
| CL28 | C26 | C27 | 119.4° | 120.0° |
| C26 | C25 | C24 | 119.9° | 120.1° |
| C25 | C26 | C27 | 120.2° | 120.0° |
| C26 | C25 | H18 | 120.1° | 120.0° |
| C25 | C24 | C23 | 119.9° | 120.0° |
| C25 | C24 | H16 | 120.0° | 120.0° |
| C24 | C25 | H18 | 120.0° | 120.0° |
| C26 | C27 | F30 | 120.3° | 120.0° |
| C26 | C27 | C22 | 119.9° | 119.9° |
| C24 | C23 | C22 | 119.8° | 120.0° |
| C24 | C23 | CL29 | 120.0° | 120.0° |
| C23 | C24 | H16 | 120.0° | 120.0° |
| F30 | C27 | C22 | 119.8° | 120.1° |
| C27 | C22 | C23 | 120.3° | 120.0° |
| C27 | C22 | C20 | 118.8° | 120.0° |
| C22 | C23 | CL29 | 120.2° | 120.0° |
| C23 | C22 | C20 | 121.0° | 120.0° |
| C21 | C20 | C22 | 109.4° | 109.5° |
| C21 | C20 | O19 | 109.4° | 109.5° |
| C21 | C20 | H12 | 109.4° | 109.5° |
| C20 | C21 | H13 | 109.5° | 109.4° |
| C20 | C21 | H14 | 109.5° | 109.5° |
| C20 | C21 | H15 | 109.4° | 109.5° |
| C22 | C20 | O19 | 108.1° | 109.5° |
| C22 | C20 | H12 | 109.4° | 109.5° |
| C20 | O19 | C2 | 112.7° | 117.0° |
| O19 | C20 | H12 | 111.2° | 109.5° |
| O19 | C2 | C1 | 118.9° | 119.6° |
| O19 | C2 | C3 | 120.9° | 119.6° |
| C1 | C2 | C3 | 120.2° | 120.8° |
| C2 | C1 | C6 | 119.6° | 119.7° |
| C2 | C1 | H1 | 120.2° | 120.1° |
| C2 | C3 | C4 | 119.9° | 121.0° |
| C2 | C3 | H2 | 120.0° | 119.5° |
| C12 | C13 | C11 | 59.9° | 60.0° |
| C13 | C12 | C11 | 60.0° | 60.0° |
| C13 | C12 | H6 | 120.0° | 117.5° |
| C13 | C12 | H7 | 120.0° | 117.6° |
| C12 | C13 | H8 | 120.0° | 117.5° |
| C12 | C13 | H9 | 120.0° | 117.4° |
| C13 | C11 | C12 | 60.0° | 60.0° |
| C13 | C11 | C10 | 149.8° | 117.5° |
| C13 | C11 | H5 | 90.1° | 117.5° |
| C11 | C13 | H8 | 120.0° | 117.5° |
| C11 | C13 | H9 | 120.0° | 117.5° |
| C1 | C6 | C10 | 119.2° | 121.1° |
| C1 | C6 | C5 | 120.6° | 119.4° |
| C6 | C1 | H1 | 120.2° | 120.2° |
| C12 | C11 | C10 | 150.2° | 117.5° |
| C12 | C11 | H5 | 90.1° | 117.5° |
| C11 | C12 | H6 | 120.0° | 117.5° |
| C11 | C12 | H7 | 120.0° | 117.5° |
| C3 | C4 | C5 | 119.9° | 119.9° |
| C4 | C3 | H2 | 120.0° | 119.6° |
| C3 | C4 | H17 | 120.0° | 120.1° |
| C11 | C10 | C6 | 119.2° | 120.3° |
| C11 | C10 | C9 | 120.6° | 120.3° |
| C10 | C11 | H5 | 90.1° | 115.6° |
| C10 | C6 | C5 | 120.2° | 119.5° |
| C6 | C10 | C9 | 120.2° | 119.4° |
| C6 | C5 | C4 | 119.8° | 119.3° |
| C6 | C5 | C7 | 119.8° | 119.7° |
| C4 | C5 | C7 | 120.4° | 120.9° |
| C5 | C4 | H17 | 120.1° | 120.1° |
| C10 | C9 | C14 | 119.4° | 119.8° |
| C10 | C9 | C8 | 120.0° | 120.4° |
| C5 | C7 | C8 | 120.0° | 120.1° |
| C5 | C7 | H3 | 120.0° | 120.0° |
| C14 | C9 | C8 | 120.6° | 119.8° |
| C9 | C14 | C15 | 120.0° | 120.0° |
| C9 | C14 | H10 | 120.0° | 120.0° |
| C9 | C8 | C7 | 119.8° | 120.9° |
| C9 | C8 | H4 | 120.1° | 119.6° |
| C8 | C7 | H3 | 120.0° | 120.0° |
| C7 | C8 | H4 | 120.1° | 119.6° |
| C14 | C15 | C16 | 119.2° | 120.0° |
| C15 | C14 | H10 | 120.0° | 120.0° |
| C14 | C15 | H11 | 120.4° | 120.1° |
| O17 | C16 | C15 | 119.7° | 120.0° |
| O17 | C16 | O18 | 120.2° | 120.0° |
| C15 | C16 | O18 | 120.0° | 120.0° |
| C16 | C15 | H11 | 120.4° | 119.9° |
| C16 | O18 | H19 | 109.5° | 114.0° |
| H6 | C12 | H7 | 109.4° | 115.5° |
| H8 | C13 | H9 | 109.5° | 115.6° |
| H13 | C21 | H14 | 109.5° | 109.5° |
| H13 | C21 | H15 | 109.5° | 109.5° |
| H14 | C21 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL28 | C26 | C25 | C27 | 179.9° | 179.7° |
| CL28 | C26 | C25 | C24 | 179.9° | 180.0° |
| CL28 | C26 | C27 | F30 | 0.1° | 0.3° |
| CL28 | C26 | C27 | C22 | 179.9° | 179.7° |
| CL28 | C26 | C25 | H18 | 0.1° | 0.3° |
| C26 | C25 | C24 | H18 | 180.0° | 179.7° |
| C26 | C25 | C24 | C23 | 0.0° | 0.3° |
| C25 | C26 | C27 | F30 | 180.0° | 180.0° |
| C25 | C26 | C27 | C22 | 0.2° | 0.0° |
| C26 | C25 | C24 | H16 | 180.0° | 179.8° |
| C24 | C25 | C26 | C27 | 0.0° | 0.3° |
| C25 | C24 | C23 | H16 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 0.1° | 0.0° |
| C25 | C24 | C23 | CL29 | 179.9° | 179.9° |
| C26 | C27 | F30 | C22 | 179.8° | 180.0° |
| C26 | C27 | C22 | C23 | 0.3° | 0.3° |
| C26 | C27 | C22 | C20 | 179.9° | 180.0° |
| C27 | C26 | C25 | H18 | 180.0° | 180.0° |
| C24 | C23 | C22 | C27 | 0.3° | 0.3° |
| C24 | C23 | C22 | CL29 | 179.8° | 179.9° |
| C24 | C23 | C22 | C20 | 179.8° | 180.0° |
| C23 | C24 | C25 | H18 | 180.0° | 180.0° |
| F30 | C27 | C22 | C23 | 179.9° | 179.7° |
| F30 | C27 | C22 | C20 | 0.3° | 0.0° |
| C27 | C22 | C23 | C20 | 179.6° | 179.7° |
| C27 | C22 | C23 | CL29 | 179.9° | 179.8° |
| C27 | C22 | C20 | C21 | 92.4° | 74.7° |
| C27 | C22 | C20 | O19 | 26.7° | 45.3° |
| C27 | C22 | C20 | H12 | 147.8° | 165.3° |
| C23 | C22 | C20 | C21 | 88.0° | 105.0° |
| C23 | C22 | C20 | O19 | 152.9° | 135.0° |
| C23 | C22 | C20 | H12 | 31.7° | 15.0° |
| C22 | C23 | C24 | H16 | 179.9° | 179.9° |
| CL29 | C23 | C22 | C20 | 0.3° | 0.1° |
| CL29 | C23 | C24 | H16 | 0.1° | 0.0° |
| C21 | C20 | C22 | O19 | 119.1° | 120.0° |
| C21 | C20 | C22 | H12 | 119.8° | 120.0° |
| C21 | C20 | O19 | H12 | 120.9° | 120.0° |
| C21 | C20 | O19 | C2 | 130.3° | 84.6° |
| C20 | C21 | H13 | H14 | 120.0° | 120.0° |
| C20 | C21 | H13 | H15 | 120.0° | 120.0° |
| C20 | C21 | H14 | H15 | 120.0° | 120.0° |
| C22 | C20 | O19 | H12 | 120.1° | 120.0° |
| C22 | C20 | O19 | C2 | 110.7° | 155.4° |
| C22 | C20 | C21 | H13 | 180.0° | 60.0° |
| C22 | C20 | C21 | H14 | 60.0° | 180.0° |
| C22 | C20 | C21 | H15 | 60.0° | 60.0° |
| C20 | O19 | C2 | C1 | 30.4° | 179.6° |
| C20 | O19 | C2 | C3 | 150.1° | 0.5° |
| O19 | C20 | C21 | H13 | 61.8° | 180.0° |
| O19 | C20 | C21 | H14 | 58.2° | 60.0° |
| O19 | C20 | C21 | H15 | 178.2° | 60.0° |
| O19 | C2 | C1 | C3 | 179.5° | 179.9° |
| O19 | C2 | C1 | C6 | 179.9° | 180.0° |
| O19 | C2 | C3 | C4 | 179.8° | 180.0° |
| O19 | C2 | C1 | H1 | 0.1° | 0.4° |
| O19 | C2 | C3 | H2 | 0.2° | 0.1° |
| C2 | O19 | C20 | H12 | 9.4° | 35.4° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C2 | C1 | C6 | C10 | 179.8° | 179.8° |
| C2 | C1 | C6 | C5 | 0.4° | 0.3° |
| C1 | C2 | C3 | H2 | 179.6° | 180.0° |
| C3 | C2 | C1 | C6 | 0.5° | 0.1° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.3° |
| C3 | C2 | C1 | H1 | 179.5° | 179.7° |
| C2 | C3 | C4 | H17 | 179.8° | 180.0° |
| C12 | C13 | C11 | H8 | 109.5° | 107.5° |
| C12 | C13 | C11 | H9 | 109.4° | 107.4° |
| C13 | C12 | C11 | H6 | 109.5° | 107.5° |
| C13 | C12 | C11 | H7 | 109.5° | 107.5° |
| C12 | C13 | C11 | C10 | 179.6° | 107.5° |
| C12 | C13 | C11 | H5 | 90.1° | 107.5° |
| C13 | C12 | H6 | H7 | 144.7° | 145.8° |
| C12 | C13 | H8 | H9 | 144.8° | 145.6° |
| C13 | C11 | C10 | H5 | 90.3° | 145.7° |
| C13 | C11 | C10 | C6 | 77.6° | 50.2° |
| C13 | C11 | C10 | C9 | 102.2° | 129.7° |
| C11 | C13 | H8 | H9 | 144.8° | 145.8° |
| C1 | C6 | C10 | C11 | 0.1° | 0.0° |
| C1 | C6 | C10 | C5 | 179.8° | 179.9° |
| C1 | C6 | C5 | C4 | 0.2° | 0.5° |
| C1 | C6 | C10 | C9 | 179.9° | 179.9° |
| C1 | C6 | C5 | C7 | 180.0° | 180.0° |
| C12 | C11 | C10 | H5 | 90.3° | 145.6° |
| C12 | C11 | C10 | C6 | 101.7° | 118.8° |
| C12 | C11 | C10 | C9 | 78.5° | 61.0° |
| C11 | C12 | H6 | H7 | 144.7° | 145.6° |
| C3 | C4 | C5 | C6 | 0.1° | 0.5° |
| C3 | C4 | C5 | H17 | 180.0° | 179.7° |
| C3 | C4 | C5 | C7 | 179.9° | 180.0° |
| C11 | C10 | C6 | C9 | 179.7° | 179.9° |
| C11 | C10 | C6 | C5 | 179.7° | 180.0° |
| C11 | C10 | C9 | C14 | 0.3° | 0.1° |
| C11 | C10 | C9 | C8 | 179.8° | 180.0° |
| C10 | C11 | C12 | H6 | 70.1° | 145.0° |
| C10 | C11 | C12 | H7 | 70.9° | 0.0° |
| C10 | C11 | C13 | H8 | 70.9° | 0.0° |
| C10 | C11 | C13 | H9 | 70.2° | 145.1° |
| C10 | C6 | C5 | C4 | 180.0° | 179.6° |
| C10 | C6 | C5 | C7 | 0.2° | 0.1° |
| C6 | C10 | C9 | C14 | 179.9° | 180.0° |
| C6 | C10 | C9 | C8 | 0.1° | 0.1° |
| C10 | C6 | C1 | H1 | 0.2° | 0.1° |
| C6 | C10 | C11 | H5 | 167.9° | 95.5° |
| C6 | C5 | C4 | C7 | 179.8° | 179.5° |
| C5 | C6 | C10 | C9 | 0.0° | 0.1° |
| C6 | C5 | C7 | C8 | 0.2° | 0.0° |
| C5 | C6 | C1 | H1 | 179.6° | 180.0° |
| C6 | C5 | C7 | H3 | 179.8° | 180.0° |
| C6 | C5 | C4 | H17 | 179.9° | 179.8° |
| C4 | C5 | C7 | C8 | 180.0° | 179.5° |
| C5 | C4 | C3 | H2 | 179.8° | 179.8° |
| C4 | C5 | C7 | H3 | 0.0° | 0.5° |
| C10 | C9 | C14 | C8 | 179.9° | 179.9° |
| C10 | C9 | C8 | C7 | 0.1° | 0.0° |
| C10 | C9 | C14 | C15 | 141.5° | 165.7° |
| C10 | C9 | C8 | H4 | 179.9° | 179.9° |
| C9 | C10 | C11 | H5 | 11.8° | 84.6° |
| C10 | C9 | C14 | H10 | 38.5° | 14.3° |
| C5 | C7 | C8 | C9 | 0.0° | 0.1° |
| C5 | C7 | C8 | H3 | 180.0° | 180.0° |
| C5 | C7 | C8 | H4 | 180.0° | 180.0° |
| C7 | C5 | C4 | H17 | 0.1° | 0.3° |
| C14 | C9 | C8 | C7 | 179.9° | 179.9° |
| C9 | C14 | C15 | H10 | 180.0° | 179.9° |
| C9 | C14 | C15 | C16 | 179.6° | 180.0° |
| C14 | C9 | C8 | H4 | 0.1° | 0.0° |
| C9 | C14 | C15 | H11 | 0.4° | 0.1° |
| C9 | C8 | C7 | H4 | 180.0° | 179.9° |
| C8 | C9 | C14 | C15 | 38.3° | 14.4° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C8 | C9 | C14 | H10 | 141.7° | 165.6° |
| C14 | C15 | C16 | O17 | 13.1° | 0.0° |
| C14 | C15 | C16 | H11 | 180.0° | 180.0° |
| C14 | C15 | C16 | O18 | 167.4° | 180.0° |
| O17 | C16 | C15 | O18 | 179.6° | 180.0° |
| O17 | C16 | C15 | H11 | 166.9° | 180.0° |
| O17 | C16 | O18 | H19 | 0.0° | 0.0° |
| C16 | C15 | C14 | H10 | 0.4° | 0.0° |
| C15 | C16 | O18 | H19 | 179.6° | 180.0° |
| O18 | C16 | C15 | H11 | 12.6° | 0.0° |
| H2 | C3 | C4 | H17 | 0.2° | 0.1° |
| H3 | C7 | C8 | H4 | 0.0° | 0.1° |
| H5 | C11 | C12 | H6 | 160.4° | 0.0° |
| H5 | C11 | C12 | H7 | 19.4° | 145.0° |
| H5 | C11 | C13 | H8 | 19.4° | 145.1° |
| H5 | C11 | C13 | H9 | 160.5° | 0.1° |
| H6 | C12 | C13 | H8 | 141.1° | 145.0° |
| H6 | C12 | C13 | H9 | 0.0° | 0.1° |
| H7 | C12 | C13 | H8 | 0.1° | 0.1° |
| H7 | C12 | C13 | H9 | 141.0° | 145.0° |
| H10 | C14 | C15 | H11 | 179.7° | 180.0° |
| H12 | C20 | C21 | H13 | 60.2° | 60.0° |
| H12 | C20 | C21 | H14 | 179.7° | 60.0° |
| H12 | C20 | C21 | H15 | 59.8° | 179.9° |
| H13 | C21 | H14 | H15 | 120.0° | 120.1° |
| H16 | C24 | C25 | H18 | 0.0° | 0.0° |
