FI8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C38 | sing | 1.74Å | 1.73Å | |
| O12 | C37 | sing | 1.36Å | 1.35Å | |
| C37 | C38 | doub | 1.39Å | 1.40Å | Aromatic |
| C37 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| CL1 | C36 | sing | 1.74Å | 1.73Å | |
| C36 | C35 | doub | 1.39Å | 1.40Å | Aromatic |
| C39 | C40 | sing | 1.51Å | 1.52Å | |
| C39 | C34 | doub | 1.40Å | 1.39Å | Aromatic |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C35 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C35 | O13 | sing | 1.36Å | 1.36Å | |
| C34 | C33 | sing | 1.47Å | 1.53Å | |
| C33 | O10 | sing | 1.35Å | 1.35Å | |
| C33 | O11 | doub | 1.22Å | 1.21Å | |
| O10 | C29 | sing | 1.45Å | 1.45Å | |
| C31 | C30 | sing | 1.53Å | 1.49Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C30 | O7 | sing | 1.43Å | 1.44Å | |
| C29 | C28 | sing | 1.53Å | 1.47Å | |
| O3 | C8 | sing | 1.43Å | 1.42Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C28 | O8 | sing | 1.43Å | 1.45Å | |
| C28 | C27 | sing | 1.53Å | 1.48Å | |
| O7 | C26 | sing | 1.43Å | 1.43Å | |
| C21 | C9 | sing | 1.51Å | 1.52Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C9 | C10 | doub | 1.31Å | 1.34Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | O6 | sing | 1.43Å | 1.37Å | |
| C27 | O9 | sing | 1.43Å | 1.45Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | C11 | sing | 1.53Å | 1.49Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C6 | C5 | doub | 1.34Å | 1.35Å | |
| C5 | C4 | sing | 1.46Å | 1.52Å | |
| C1 | O6 | sing | 1.43Å | 1.45Å | |
| C1 | C3 | sing | 1.51Å | 1.53Å | |
| O9 | C32 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | doub | 1.35Å | 1.44Å | |
| C3 | C2 | sing | 1.42Å | 1.53Å | |
| C12 | O4 | sing | 1.43Å | 1.41Å | |
| C12 | C13 | sing | 1.52Å | 1.53Å | |
| O4 | C42 | sing | 1.43Å | 1.41Å | |
| C13 | C24 | sing | 1.50Å | 1.52Å | |
| C13 | C14 | doub | 1.31Å | 1.35Å | |
| C2 | O2 | doub | 1.22Å | 1.19Å | |
| C2 | O1 | sing | 1.35Å | 1.36Å | |
| C14 | C15 | sing | 1.46Å | 1.53Å | |
| O15 | C43 | sing | 1.43Å | 1.43Å | |
| C43 | C42 | sing | 1.53Å | 1.53Å | |
| C43 | C44 | sing | 1.53Å | 1.49Å | |
| C42 | O14 | sing | 1.43Å | 1.43Å | |
| O1 | C18 | sing | 1.43Å | 1.45Å | |
| C15 | C25 | sing | 1.50Å | 1.51Å | |
| C15 | C16 | doub | 1.34Å | 1.35Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| O16 | C44 | sing | 1.43Å | 1.43Å | |
| C44 | C45 | sing | 1.53Å | 1.46Å | |
| O14 | C46 | sing | 1.43Å | 1.44Å | |
| C19 | O5A | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C45 | C46 | sing | 1.53Å | 1.54Å | |
| C45 | O17 | sing | 1.45Å | 1.45Å | |
| C48 | C46 | sing | 1.53Å | 1.53Å | |
| C46 | C47 | sing | 1.53Å | 1.51Å | |
| O17 | C49 | sing | 1.34Å | 1.44Å | |
| C49 | O18 | doub | 1.21Å | 1.19Å | |
| C49 | C50 | sing | 1.51Å | 1.51Å | |
| C52 | C50 | sing | 1.53Å | 1.53Å | |
| C50 | C51 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.11Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.08Å | |
| C40 | H43 | sing | 1.09Å | 1.10Å | |
| C40 | H44 | sing | 1.09Å | 1.10Å | |
| C41 | H45 | sing | 1.09Å | 1.10Å | |
| C41 | H46 | sing | 1.09Å | 1.10Å | |
| C41 | H47 | sing | 1.09Å | 1.10Å | |
| C42 | H48 | sing | 1.09Å | 1.10Å | |
| C43 | H49 | sing | 1.09Å | 1.10Å | |
| C44 | H50 | sing | 1.09Å | 1.10Å | |
| C45 | H51 | sing | 1.09Å | 1.10Å | |
| C47 | H52 | sing | 1.09Å | 1.10Å | |
| C47 | H53 | sing | 1.09Å | 1.10Å | |
| C47 | H54 | sing | 1.09Å | 1.10Å | |
| C48 | H55 | sing | 1.09Å | 1.10Å | |
| C48 | H56 | sing | 1.09Å | 1.10Å | |
| C48 | H57 | sing | 1.09Å | 1.10Å | |
| C5 | H58 | sing | 1.08Å | 1.08Å | |
| C50 | H59 | sing | 1.09Å | 1.10Å | |
| C51 | H60 | sing | 1.09Å | 1.10Å | |
| C51 | H61 | sing | 1.09Å | 1.10Å | |
| C51 | H62 | sing | 1.09Å | 1.10Å | |
| C52 | H63 | sing | 1.09Å | 1.10Å | |
| C52 | H64 | sing | 1.09Å | 1.10Å | |
| C52 | H65 | sing | 1.09Å | 1.10Å | |
| C6 | H66 | sing | 1.08Å | 1.08Å | |
| C7 | H67 | sing | 1.09Å | 1.10Å | |
| C7 | H68 | sing | 1.09Å | 1.10Å | |
| C8 | H69 | sing | 1.09Å | 1.10Å | |
| O12 | H70 | sing | 0.97Å | 0.95Å | |
| O13 | H71 | sing | 0.97Å | 0.95Å | |
| O15 | H72 | sing | 0.97Å | 0.95Å | |
| O16 | H73 | sing | 0.97Å | 0.95Å | |
| O3 | H74 | sing | 0.97Å | 0.95Å | |
| O5A | H75 | sing | 0.97Å | 0.95Å | |
| O8 | H76 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C38 | C37 | 120.0° | 119.9° |
| CL2 | C38 | C39 | 120.0° | 119.9° |
| O12 | C37 | C38 | 120.0° | 119.8° |
| O12 | C37 | C36 | 119.9° | 119.9° |
| C37 | O12 | H70 | 109.5° | 114.0° |
| C38 | C37 | C36 | 120.0° | 120.3° |
| C37 | C38 | C39 | 120.0° | 120.2° |
| C37 | C36 | CL1 | 120.0° | 120.0° |
| C37 | C36 | C35 | 120.0° | 120.0° |
| C38 | C39 | C40 | 120.1° | 120.0° |
| C38 | C39 | C34 | 119.9° | 119.9° |
| CL1 | C36 | C35 | 120.0° | 119.9° |
| C36 | C35 | C34 | 120.0° | 119.7° |
| C36 | C35 | O13 | 120.0° | 120.1° |
| C40 | C39 | C34 | 120.0° | 120.0° |
| C39 | C40 | C41 | 112.3° | 109.5° |
| C39 | C40 | H43 | 108.8° | 109.5° |
| C39 | C40 | H44 | 108.7° | 109.5° |
| C39 | C34 | C35 | 120.1° | 119.8° |
| C39 | C34 | C33 | 119.9° | 120.1° |
| C41 | C40 | H43 | 108.8° | 109.5° |
| C41 | C40 | H44 | 108.8° | 109.4° |
| C40 | C41 | H45 | 109.5° | 109.5° |
| C40 | C41 | H46 | 109.5° | 109.5° |
| C40 | C41 | H47 | 109.5° | 109.5° |
| C34 | C35 | O13 | 120.0° | 120.1° |
| C35 | C34 | C33 | 120.1° | 120.1° |
| C35 | O13 | H71 | 109.5° | 114.0° |
| C34 | C33 | O10 | 119.8° | 120.0° |
| C34 | C33 | O11 | 120.0° | 120.0° |
| O10 | C33 | O11 | 120.2° | 120.0° |
| C33 | O10 | C29 | 120.8° | 117.0° |
| O10 | C29 | C30 | 107.9° | 109.6° |
| O10 | C29 | C28 | 108.4° | 109.5° |
| O10 | C29 | H32 | 109.7° | 109.5° |
| C31 | C30 | C29 | 108.7° | 109.5° |
| C31 | C30 | O7 | 108.9° | 109.5° |
| C31 | C30 | H34 | 108.8° | 109.5° |
| C30 | C31 | H35 | 109.5° | 109.5° |
| C30 | C31 | H36 | 109.5° | 109.5° |
| C30 | C31 | H37 | 109.5° | 109.4° |
| C29 | C30 | O7 | 112.4° | 109.4° |
| C30 | C29 | C28 | 112.7° | 109.2° |
| C30 | C29 | H32 | 108.7° | 109.5° |
| C29 | C30 | H34 | 108.4° | 109.4° |
| C30 | O7 | C26 | 111.8° | 114.1° |
| O7 | C30 | H34 | 109.5° | 109.5° |
| C29 | C28 | O8 | 108.5° | 109.5° |
| C29 | C28 | C27 | 113.2° | 109.0° |
| C29 | C28 | H31 | 108.9° | 109.6° |
| C28 | C29 | H32 | 109.4° | 109.5° |
| O3 | C8 | C7 | 109.2° | 109.4° |
| O3 | C8 | C9 | 109.3° | 109.4° |
| O3 | C8 | H69 | 110.6° | 109.4° |
| C8 | O3 | H74 | 109.5° | 114.0° |
| C7 | C8 | C9 | 109.5° | 109.7° |
| C8 | C7 | C6 | 111.0° | 109.4° |
| C8 | C7 | H67 | 109.1° | 109.5° |
| C8 | C7 | H68 | 109.0° | 109.5° |
| C7 | C8 | H69 | 109.1° | 109.5° |
| C8 | C9 | C21 | 118.3° | 120.0° |
| C8 | C9 | C10 | 118.9° | 120.1° |
| C9 | C8 | H69 | 109.2° | 109.4° |
| O8 | C28 | C27 | 108.3° | 109.5° |
| O8 | C28 | H31 | 109.2° | 109.5° |
| C28 | O8 | H76 | 109.5° | 114.0° |
| C28 | C27 | C26 | 112.8° | 109.1° |
| C28 | C27 | O9 | 108.8° | 109.5° |
| C28 | C27 | H30 | 108.9° | 109.6° |
| C27 | C28 | H31 | 108.8° | 109.6° |
| O7 | C26 | C27 | 111.7° | 109.4° |
| O7 | C26 | O6 | 109.0° | 109.5° |
| O7 | C26 | H29 | 109.4° | 109.5° |
| C21 | C9 | C10 | 122.8° | 119.9° |
| C9 | C21 | H15 | 109.5° | 109.5° |
| C9 | C21 | H16 | 109.5° | 109.5° |
| C9 | C21 | H17 | 109.4° | 109.5° |
| C7 | C6 | C5 | 120.3° | 119.8° |
| C7 | C6 | H66 | 119.9° | 120.3° |
| C6 | C7 | H67 | 109.1° | 109.5° |
| C6 | C7 | H68 | 109.1° | 109.5° |
| C9 | C10 | C11 | 116.4° | 120.0° |
| C9 | C10 | H3 | 121.8° | 120.1° |
| C27 | C26 | O6 | 108.5° | 109.5° |
| C26 | C27 | O9 | 108.8° | 109.6° |
| C27 | C26 | H29 | 108.0° | 109.5° |
| C26 | C27 | H30 | 108.2° | 109.5° |
| C26 | O6 | C1 | 114.9° | 114.0° |
| O6 | C26 | H29 | 110.3° | 109.5° |
| C27 | O9 | C32 | 113.8° | 114.0° |
| O9 | C27 | H30 | 109.3° | 109.5° |
| C23 | C22 | C11 | 112.3° | 109.5° |
| C23 | C22 | H18 | 108.8° | 109.5° |
| C23 | C22 | H19 | 108.7° | 109.5° |
| C22 | C23 | H20 | 109.5° | 109.5° |
| C22 | C23 | H21 | 109.5° | 109.4° |
| C22 | C23 | H22 | 109.5° | 109.5° |
| C22 | C11 | C10 | 109.0° | 109.5° |
| C22 | C11 | C12 | 109.0° | 109.5° |
| C22 | C11 | H4 | 109.7° | 109.5° |
| C11 | C22 | H18 | 108.8° | 109.5° |
| C11 | C22 | H19 | 108.8° | 109.5° |
| C10 | C11 | C12 | 110.8° | 109.4° |
| C11 | C10 | H3 | 121.8° | 119.9° |
| C10 | C11 | H4 | 109.1° | 109.5° |
| C6 | C5 | C4 | 119.0° | 119.5° |
| C6 | C5 | H58 | 120.5° | 118.7° |
| C5 | C6 | H66 | 119.8° | 119.9° |
| C5 | C4 | C3 | 114.0° | 122.2° |
| C5 | C4 | H41 | 123.0° | 119.0° |
| C4 | C5 | H58 | 120.5° | 121.8° |
| O6 | C1 | C3 | 107.3° | 109.5° |
| O6 | C1 | H1 | 110.0° | 109.4° |
| O6 | C1 | H2 | 110.0° | 109.5° |
| C1 | C3 | C4 | 121.2° | 121.3° |
| C1 | C3 | C2 | 120.2° | 119.4° |
| C3 | C1 | H1 | 110.0° | 109.5° |
| C3 | C1 | H2 | 110.0° | 109.5° |
| O9 | C32 | H38 | 109.5° | 109.5° |
| O9 | C32 | H39 | 109.5° | 109.5° |
| O9 | C32 | H40 | 109.5° | 109.5° |
| C11 | C12 | O4 | 109.1° | 109.6° |
| C11 | C12 | C13 | 110.2° | 108.8° |
| C12 | C11 | H4 | 109.2° | 109.5° |
| C11 | C12 | H5 | 108.7° | 109.5° |
| C4 | C3 | C2 | 118.6° | 119.3° |
| C3 | C4 | H41 | 123.0° | 118.8° |
| C3 | C2 | O2 | 120.3° | 120.1° |
| C3 | C2 | O1 | 119.2° | 119.7° |
| O4 | C12 | C13 | 109.9° | 109.6° |
| C12 | O4 | C42 | 114.6° | 114.0° |
| O4 | C12 | H5 | 110.3° | 109.6° |
| C12 | C13 | C24 | 118.0° | 117.2° |
| C12 | C13 | C14 | 117.1° | 117.4° |
| C13 | C12 | H5 | 108.6° | 109.7° |
| O4 | C42 | C43 | 109.2° | 109.5° |
| O4 | C42 | O14 | 108.8° | 109.5° |
| O4 | C42 | H48 | 109.7° | 109.4° |
| C24 | C13 | C14 | 124.9° | 125.4° |
| C13 | C24 | H23 | 109.5° | 109.5° |
| C13 | C24 | H24 | 109.5° | 109.5° |
| C13 | C24 | H25 | 109.5° | 109.5° |
| C13 | C14 | C15 | 123.4° | 130.4° |
| C13 | C14 | H6 | 118.3° | 114.3° |
| O2 | C2 | O1 | 120.5° | 120.2° |
| C2 | O1 | C18 | 114.8° | 116.6° |
| C14 | C15 | C25 | 123.1° | 124.9° |
| C14 | C15 | C16 | 115.7° | 117.9° |
| C15 | C14 | H6 | 118.3° | 115.2° |
| O15 | C43 | C42 | 109.0° | 109.5° |
| O15 | C43 | C44 | 108.6° | 109.5° |
| O15 | C43 | H49 | 109.8° | 109.6° |
| C43 | O15 | H72 | 109.5° | 113.9° |
| C42 | C43 | C44 | 112.1° | 109.2° |
| C43 | C42 | O14 | 111.8° | 109.4° |
| C43 | C42 | H48 | 108.1° | 109.5° |
| C42 | C43 | H49 | 108.5° | 109.5° |
| C43 | C44 | O16 | 108.7° | 109.5° |
| C43 | C44 | C45 | 112.1° | 109.1° |
| C44 | C43 | H49 | 108.9° | 109.5° |
| C43 | C44 | H50 | 108.7° | 109.6° |
| C42 | O14 | C46 | 112.3° | 114.1° |
| O14 | C42 | H48 | 109.3° | 109.5° |
| O1 | C18 | C17 | 108.7° | 109.4° |
| O1 | C18 | C19 | 109.2° | 109.5° |
| O1 | C18 | H10 | 110.4° | 109.5° |
| C25 | C15 | C16 | 121.2° | 117.2° |
| C15 | C25 | H26 | 109.5° | 109.5° |
| C15 | C25 | H27 | 109.5° | 109.4° |
| C15 | C25 | H28 | 109.5° | 109.4° |
| C15 | C16 | C17 | 117.7° | 119.3° |
| C15 | C16 | H7 | 121.1° | 119.8° |
| C16 | C17 | C18 | 111.9° | 109.7° |
| C17 | C16 | H7 | 121.1° | 120.9° |
| C16 | C17 | H8 | 108.9° | 109.4° |
| C16 | C17 | H9 | 108.9° | 109.5° |
| C17 | C18 | C19 | 110.0° | 109.5° |
| C18 | C17 | H8 | 108.9° | 109.4° |
| C18 | C17 | H9 | 108.9° | 109.4° |
| C17 | C18 | H10 | 109.2° | 109.4° |
| C18 | C19 | O5A | 109.3° | 109.5° |
| C18 | C19 | C20 | 109.9° | 109.4° |
| C19 | C18 | H10 | 109.4° | 109.5° |
| C18 | C19 | H11 | 108.9° | 109.4° |
| O16 | C44 | C45 | 108.6° | 109.5° |
| O16 | C44 | H50 | 109.6° | 109.6° |
| C44 | O16 | H73 | 109.5° | 114.0° |
| C44 | C45 | C46 | 112.2° | 109.2° |
| C44 | C45 | O17 | 108.6° | 109.5° |
| C45 | C44 | H50 | 109.1° | 109.5° |
| C44 | C45 | H51 | 109.4° | 109.5° |
| O14 | C46 | C45 | 112.4° | 109.4° |
| O14 | C46 | C48 | 108.9° | 109.5° |
| O14 | C46 | C47 | 108.8° | 109.5° |
| O5A | C19 | C20 | 109.5° | 109.5° |
| O5A | C19 | H11 | 110.4° | 109.5° |
| C19 | O5A | H75 | 109.5° | 114.0° |
| C20 | C19 | H11 | 108.8° | 109.5° |
| C19 | C20 | H12 | 109.5° | 109.5° |
| C19 | C20 | H13 | 109.5° | 109.4° |
| C19 | C20 | H14 | 109.4° | 109.5° |
| C46 | C45 | O17 | 108.8° | 109.5° |
| C45 | C46 | C48 | 108.8° | 109.5° |
| C45 | C46 | C47 | 108.7° | 109.5° |
| C46 | C45 | H51 | 108.4° | 109.5° |
| C45 | O17 | C49 | 115.6° | 117.0° |
| O17 | C45 | H51 | 109.5° | 109.6° |
| C48 | C46 | C47 | 109.2° | 109.5° |
| C46 | C48 | H55 | 109.5° | 109.5° |
| C46 | C48 | H56 | 109.5° | 109.4° |
| C46 | C48 | H57 | 109.5° | 109.5° |
| C46 | C47 | H52 | 109.5° | 109.4° |
| C46 | C47 | H53 | 109.4° | 109.4° |
| C46 | C47 | H54 | 109.5° | 109.5° |
| O17 | C49 | O18 | 121.0° | 120.0° |
| O17 | C49 | C50 | 119.6° | 120.0° |
| O18 | C49 | C50 | 119.4° | 120.0° |
| C49 | C50 | C52 | 111.1° | 109.5° |
| C49 | C50 | C51 | 111.0° | 109.5° |
| C49 | C50 | H59 | 108.0° | 109.5° |
| C52 | C50 | C51 | 111.2° | 109.5° |
| C52 | C50 | H59 | 107.8° | 109.5° |
| C50 | C52 | H63 | 109.5° | 109.5° |
| C50 | C52 | H64 | 109.4° | 109.4° |
| C50 | C52 | H65 | 109.5° | 109.5° |
| C51 | C50 | H59 | 107.7° | 109.5° |
| C50 | C51 | H60 | 109.5° | 109.5° |
| C50 | C51 | H61 | 109.5° | 109.5° |
| C50 | C51 | H62 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.5° |
| H12 | C20 | H13 | 109.5° | 109.4° |
| H12 | C20 | H14 | 109.4° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H15 | C21 | H17 | 109.5° | 109.4° |
| H16 | C21 | H17 | 109.4° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H20 | C23 | H22 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.4° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H23 | C24 | H25 | 109.4° | 109.4° |
| H24 | C24 | H25 | 109.4° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H26 | C25 | H28 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.4° | 109.5° |
| H35 | C31 | H36 | 109.5° | 109.5° |
| H35 | C31 | H37 | 109.4° | 109.4° |
| H36 | C31 | H37 | 109.5° | 109.5° |
| H38 | C32 | H39 | 109.4° | 109.5° |
| H38 | C32 | H40 | 109.5° | 109.5° |
| H39 | C32 | H40 | 109.5° | 109.5° |
| H43 | C40 | H44 | 109.5° | 109.5° |
| H45 | C41 | H46 | 109.5° | 109.4° |
| H45 | C41 | H47 | 109.5° | 109.5° |
| H46 | C41 | H47 | 109.5° | 109.4° |
| H52 | C47 | H53 | 109.5° | 109.5° |
| H52 | C47 | H54 | 109.4° | 109.5° |
| H53 | C47 | H54 | 109.5° | 109.5° |
| H55 | C48 | H56 | 109.5° | 109.4° |
| H55 | C48 | H57 | 109.4° | 109.5° |
| H56 | C48 | H57 | 109.4° | 109.5° |
| H60 | C51 | H61 | 109.5° | 109.4° |
| H60 | C51 | H62 | 109.5° | 109.5° |
| H61 | C51 | H62 | 109.4° | 109.5° |
| H63 | C52 | H64 | 109.5° | 109.5° |
| H63 | C52 | H65 | 109.4° | 109.4° |
| H64 | C52 | H65 | 109.5° | 109.5° |
| H67 | C7 | H68 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C38 | C37 | O12 | 0.0° | 0.3° |
| CL2 | C38 | C37 | C39 | 180.0° | 179.7° |
| CL2 | C38 | C37 | C36 | 180.0° | 180.0° |
| CL2 | C38 | C39 | C40 | 0.0° | 0.3° |
| CL2 | C38 | C39 | C34 | 180.0° | 179.8° |
| O12 | C37 | C38 | C36 | 180.0° | 179.7° |
| O12 | C37 | C38 | C39 | 180.0° | 180.0° |
| O12 | C37 | C36 | CL1 | 0.1° | 0.3° |
| O12 | C37 | C36 | C35 | 180.0° | 179.8° |
| C38 | C37 | C36 | CL1 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 0.0° | 0.1° |
| C37 | C38 | C39 | C40 | 180.0° | 180.0° |
| C37 | C38 | C39 | C34 | 0.0° | 0.5° |
| C38 | C37 | O12 | H70 | 180.0° | 90.0° |
| C36 | C37 | C38 | C39 | 0.0° | 0.3° |
| C37 | C36 | CL1 | C35 | 180.0° | 179.9° |
| C37 | C36 | C35 | C34 | 0.0° | 0.1° |
| C37 | C36 | C35 | O13 | 180.0° | 180.0° |
| C36 | C37 | O12 | H70 | 0.0° | 89.7° |
| C38 | C39 | C40 | C34 | 180.0° | 179.5° |
| C38 | C39 | C40 | C41 | 127.4° | 90.0° |
| C38 | C39 | C34 | C35 | 0.1° | 0.5° |
| C38 | C39 | C34 | C33 | 180.0° | 179.8° |
| C38 | C39 | C40 | H43 | 112.2° | 150.0° |
| C38 | C39 | C40 | H44 | 7.0° | 30.0° |
| CL1 | C36 | C35 | C34 | 179.9° | 180.0° |
| CL1 | C36 | C35 | O13 | 0.0° | 0.1° |
| C36 | C35 | C34 | C39 | 0.1° | 0.3° |
| C36 | C35 | C34 | O13 | 180.0° | 179.9° |
| C36 | C35 | C34 | C33 | 180.0° | 180.0° |
| C36 | C35 | O13 | H71 | 180.0° | 90.1° |
| C39 | C40 | C41 | H43 | 120.4° | 120.0° |
| C39 | C40 | C41 | H44 | 120.4° | 120.0° |
| C40 | C39 | C34 | C35 | 179.9° | 180.0° |
| C40 | C39 | C34 | C33 | 0.0° | 0.3° |
| C39 | C40 | H43 | H44 | 118.7° | 120.0° |
| C39 | C40 | C41 | H45 | 180.0° | 59.9° |
| C39 | C40 | C41 | H46 | 60.0° | 60.1° |
| C39 | C40 | C41 | H47 | 60.0° | 180.0° |
| C34 | C39 | C40 | C41 | 52.6° | 90.6° |
| C39 | C34 | C35 | C33 | 179.9° | 179.7° |
| C39 | C34 | C35 | O13 | 180.0° | 179.8° |
| C39 | C34 | C33 | O10 | 100.5° | 89.7° |
| C39 | C34 | C33 | O11 | 79.3° | 90.3° |
| C34 | C39 | C40 | H43 | 67.8° | 29.4° |
| C34 | C39 | C40 | H44 | 173.0° | 149.5° |
| C41 | C40 | H43 | H44 | 118.7° | 120.0° |
| C40 | C41 | H45 | H46 | 120.0° | 120.0° |
| C40 | C41 | H45 | H47 | 120.0° | 120.1° |
| C40 | C41 | H46 | H47 | 120.0° | 120.0° |
| C35 | C34 | C33 | O10 | 79.4° | 90.0° |
| C35 | C34 | C33 | O11 | 100.8° | 90.1° |
| C34 | C35 | O13 | H71 | 0.1° | 90.0° |
| O13 | C35 | C34 | C33 | 0.1° | 0.1° |
| C34 | C33 | O10 | O11 | 179.9° | 180.0° |
| C34 | C33 | O10 | C29 | 136.1° | 180.0° |
| C33 | O10 | C29 | C30 | 146.2° | 90.3° |
| C33 | O10 | C29 | C28 | 91.5° | 150.0° |
| C33 | O10 | C29 | H32 | 27.9° | 29.9° |
| O11 | C33 | O10 | C29 | 44.1° | 0.0° |
| O10 | C29 | C30 | C31 | 68.8° | 62.5° |
| O10 | C29 | C30 | C28 | 119.7° | 119.9° |
| O10 | C29 | C30 | H32 | 118.9° | 120.2° |
| O10 | C29 | C30 | O7 | 170.6° | 177.6° |
| O10 | C29 | C28 | H32 | 119.7° | 120.1° |
| O10 | C29 | C28 | O8 | 75.0° | 63.2° |
| O10 | C29 | C28 | C27 | 164.8° | 177.0° |
| O10 | C29 | C28 | H31 | 43.7° | 57.0° |
| O10 | C29 | C30 | H34 | 49.4° | 57.6° |
| C31 | C30 | C29 | O7 | 120.7° | 120.0° |
| C31 | C30 | C29 | H34 | 118.1° | 120.1° |
| C31 | C30 | O7 | H34 | 118.9° | 120.1° |
| C31 | C30 | C29 | C28 | 171.6° | 177.6° |
| C31 | C30 | O7 | C26 | 177.9° | 178.9° |
| C31 | C30 | C29 | H32 | 50.2° | 57.7° |
| C30 | C31 | H35 | H36 | 120.0° | 120.0° |
| C30 | C31 | H35 | H37 | 120.0° | 119.9° |
| C30 | C31 | H36 | H37 | 120.0° | 120.0° |
| C29 | C30 | O7 | H34 | 120.5° | 119.9° |
| C30 | C29 | C28 | H32 | 121.0° | 119.9° |
| C30 | C29 | C28 | O8 | 165.7° | 176.8° |
| C30 | C29 | C28 | C27 | 45.5° | 57.0° |
| C29 | C30 | O7 | C26 | 57.3° | 61.2° |
| C30 | C29 | C28 | H31 | 75.6° | 63.0° |
| C29 | C30 | C31 | H35 | 180.0° | 60.0° |
| C29 | C30 | C31 | H36 | 60.0° | 180.0° |
| C29 | C30 | C31 | H37 | 60.0° | 60.0° |
| O7 | C30 | C29 | C28 | 50.9° | 57.6° |
| C30 | O7 | C26 | C27 | 57.6° | 61.2° |
| C30 | O7 | C26 | O6 | 177.5° | 178.8° |
| C30 | O7 | C26 | H29 | 61.9° | 58.8° |
| O7 | C30 | C29 | H32 | 70.5° | 62.3° |
| O7 | C30 | C31 | H35 | 57.2° | 60.0° |
| O7 | C30 | C31 | H36 | 177.2° | 60.1° |
| O7 | C30 | C31 | H37 | 62.8° | 179.9° |
| C29 | C28 | O8 | C27 | 123.2° | 119.5° |
| C29 | C28 | O8 | H31 | 118.5° | 120.3° |
| C29 | C28 | C27 | H31 | 121.2° | 120.0° |
| C29 | C28 | C27 | C26 | 46.2° | 57.0° |
| C29 | C28 | C27 | O9 | 74.6° | 63.0° |
| C29 | C28 | C27 | H30 | 166.3° | 176.9° |
| C28 | C29 | C30 | H34 | 70.3° | 62.4° |
| C29 | C28 | O8 | H76 | 31.8° | 179.6° |
| O3 | C8 | C7 | C9 | 119.7° | 120.1° |
| O3 | C8 | C7 | H69 | 120.9° | 119.9° |
| O3 | C8 | C9 | H69 | 121.0° | 119.9° |
| O3 | C8 | C9 | C21 | 138.8° | 174.8° |
| O3 | C8 | C7 | C6 | 58.8° | 38.0° |
| O3 | C8 | C9 | C10 | 41.2° | 5.3° |
| O3 | C8 | C7 | H67 | 179.0° | 82.1° |
| O3 | C8 | C7 | H68 | 61.5° | 158.0° |
| C7 | C8 | C9 | H69 | 119.3° | 120.1° |
| C7 | C8 | C9 | C21 | 101.6° | 54.8° |
| C8 | C7 | C6 | H67 | 120.2° | 120.0° |
| C8 | C7 | C6 | H68 | 120.2° | 120.0° |
| C7 | C8 | C9 | C10 | 78.4° | 125.4° |
| C8 | C7 | C6 | C5 | 99.8° | 112.2° |
| C8 | C7 | C6 | H66 | 80.2° | 67.1° |
| C8 | C7 | H67 | H68 | 119.3° | 120.0° |
| C7 | C8 | O3 | H74 | 180.0° | 60.0° |
| C8 | C9 | C21 | C10 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 60.9° | 82.1° |
| C8 | C9 | C10 | C11 | 180.0° | 179.8° |
| C8 | C9 | C10 | H3 | 0.1° | 0.5° |
| C8 | C9 | C21 | H15 | 180.0° | 26.9° |
| C8 | C9 | C21 | H16 | 60.0° | 146.9° |
| C8 | C9 | C21 | H17 | 60.0° | 93.1° |
| C9 | C8 | C7 | H67 | 59.3° | 157.9° |
| C9 | C8 | C7 | H68 | 178.9° | 37.9° |
| C9 | C8 | O3 | H74 | 60.2° | 179.8° |
| O8 | C28 | C27 | H31 | 118.5° | 120.2° |
| O8 | C28 | C27 | C26 | 166.5° | 176.8° |
| O8 | C28 | C27 | O9 | 45.7° | 56.9° |
| O8 | C28 | C27 | H30 | 73.4° | 63.3° |
| O8 | C28 | C29 | H32 | 44.7° | 56.9° |
| C28 | C27 | C26 | O7 | 52.1° | 57.7° |
| C28 | C27 | C26 | O9 | 120.8° | 120.0° |
| C28 | C27 | C26 | H30 | 120.5° | 119.9° |
| C28 | C27 | C26 | O6 | 172.3° | 177.6° |
| C28 | C27 | O9 | H30 | 118.8° | 120.2° |
| C28 | C27 | O9 | C32 | 102.1° | 143.4° |
| C28 | C27 | C26 | H29 | 68.2° | 62.4° |
| C27 | C28 | C29 | H32 | 75.5° | 62.9° |
| C27 | C28 | O8 | H76 | 155.0° | 60.0° |
| O7 | C26 | C27 | O6 | 120.2° | 120.0° |
| O7 | C26 | C27 | H29 | 120.3° | 120.0° |
| O7 | C26 | O6 | H29 | 120.1° | 120.1° |
| O7 | C26 | C27 | O9 | 68.7° | 62.3° |
| O7 | C26 | O6 | C1 | 92.6° | 69.1° |
| O7 | C26 | C27 | H30 | 172.6° | 177.6° |
| C26 | O7 | C30 | H34 | 63.2° | 58.8° |
| C21 | C9 | C10 | C11 | 0.0° | 0.1° |
| C21 | C9 | C10 | H3 | 179.9° | 179.6° |
| C9 | C21 | H15 | H16 | 120.0° | 120.0° |
| C9 | C21 | H15 | H17 | 120.0° | 120.0° |
| C9 | C21 | H16 | H17 | 120.0° | 120.0° |
| C21 | C9 | C8 | H69 | 17.8° | 65.3° |
| C7 | C6 | C5 | H66 | 180.0° | 179.2° |
| C7 | C6 | C5 | C4 | 179.9° | 178.2° |
| C7 | C6 | C5 | H58 | 0.1° | 1.5° |
| C6 | C7 | H67 | H68 | 119.3° | 120.0° |
| C6 | C7 | C8 | H69 | 179.7° | 157.9° |
| C9 | C10 | C11 | C22 | 60.5° | 91.9° |
| C9 | C10 | C11 | H3 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 179.5° | 148.2° |
| C9 | C10 | C11 | H4 | 59.2° | 28.3° |
| C10 | C9 | C21 | H15 | 0.0° | 153.2° |
| C10 | C9 | C21 | H16 | 120.0° | 33.2° |
| C10 | C9 | C21 | H17 | 120.0° | 86.8° |
| C10 | C9 | C8 | H69 | 162.2° | 114.5° |
| C27 | C26 | O6 | H29 | 118.1° | 120.0° |
| C26 | C27 | O9 | H30 | 118.0° | 120.1° |
| C27 | C26 | O6 | C1 | 145.6° | 171.0° |
| C26 | C27 | O9 | C32 | 134.7° | 96.9° |
| C26 | C27 | C28 | H31 | 75.0° | 63.0° |
| O6 | C26 | C27 | O9 | 51.5° | 57.7° |
| C26 | O6 | C1 | C3 | 166.9° | 176.3° |
| C26 | O6 | C1 | H1 | 73.5° | 56.3° |
| C26 | O6 | C1 | H2 | 47.2° | 63.7° |
| O6 | C26 | C27 | H30 | 67.2° | 62.5° |
| O9 | C27 | C26 | H29 | 171.0° | 177.7° |
| O9 | C27 | C28 | H31 | 164.2° | 177.1° |
| C27 | O9 | C32 | H38 | 180.0° | 56.4° |
| C27 | O9 | C32 | H39 | 60.0° | 63.6° |
| C27 | O9 | C32 | H40 | 60.0° | 176.4° |
| C23 | C22 | C11 | H18 | 120.5° | 120.0° |
| C23 | C22 | C11 | H19 | 120.4° | 120.0° |
| C23 | C22 | C11 | C10 | 167.4° | 65.3° |
| C23 | C22 | C11 | C12 | 71.6° | 174.8° |
| C23 | C22 | C11 | H4 | 48.0° | 54.8° |
| C23 | C22 | H18 | H19 | 118.7° | 120.0° |
| C22 | C23 | H20 | H21 | 120.0° | 119.9° |
| C22 | C23 | H20 | H22 | 120.0° | 120.0° |
| C22 | C23 | H21 | H22 | 120.0° | 120.0° |
| C22 | C11 | C10 | C12 | 120.0° | 119.9° |
| C22 | C11 | C10 | H4 | 119.7° | 120.1° |
| C22 | C11 | C12 | H4 | 119.8° | 120.1° |
| C22 | C11 | C12 | O4 | 63.9° | 8.1° |
| C22 | C11 | C12 | C13 | 175.4° | 128.0° |
| C22 | C11 | C10 | H3 | 119.5° | 88.5° |
| C22 | C11 | C12 | H5 | 56.5° | 112.2° |
| C11 | C22 | H18 | H19 | 118.7° | 120.0° |
| C11 | C22 | C23 | H20 | 180.0° | 54.1° |
| C11 | C22 | C23 | H21 | 60.0° | 174.0° |
| C11 | C22 | C23 | H22 | 60.0° | 66.0° |
| C10 | C11 | C12 | H4 | 120.2° | 120.0° |
| C10 | C11 | C12 | O4 | 176.2° | 128.1° |
| C10 | C11 | C12 | C13 | 55.5° | 112.1° |
| C10 | C11 | C12 | H5 | 63.5° | 7.7° |
| C10 | C11 | C22 | H18 | 46.9° | 174.7° |
| C10 | C11 | C22 | H19 | 72.2° | 54.7° |
| C6 | C5 | C4 | H58 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 179.9° | 175.3° |
| C6 | C5 | C4 | H41 | 0.1° | 3.4° |
| C5 | C6 | C7 | H67 | 139.9° | 127.8° |
| C5 | C6 | C7 | H68 | 20.4° | 7.8° |
| C5 | C4 | C3 | C1 | 0.4° | 3.5° |
| C5 | C4 | C3 | H41 | 180.0° | 178.8° |
| C5 | C4 | C3 | C2 | 180.0° | 175.6° |
| C4 | C5 | C6 | H66 | 0.1° | 1.1° |
| O6 | C1 | C3 | H1 | 119.6° | 120.0° |
| O6 | C1 | C3 | H2 | 119.6° | 120.0° |
| O6 | C1 | C3 | C4 | 97.1° | 123.4° |
| O6 | C1 | C3 | C2 | 82.4° | 57.5° |
| O6 | C1 | H1 | H2 | 121.0° | 120.0° |
| C1 | O6 | C26 | H29 | 27.5° | 50.9° |
| C1 | C3 | C4 | C2 | 179.5° | 179.0° |
| C1 | C3 | C2 | O2 | 0.3° | 175.7° |
| C1 | C3 | C2 | O1 | 179.6° | 4.3° |
| C3 | C1 | H1 | H2 | 121.0° | 120.0° |
| C1 | C3 | C4 | H41 | 179.6° | 177.7° |
| C32 | O9 | C27 | H30 | 16.7° | 23.2° |
| O9 | C32 | H38 | H39 | 120.0° | 120.0° |
| O9 | C32 | H38 | H40 | 120.0° | 120.0° |
| O9 | C32 | H39 | H40 | 120.0° | 120.0° |
| C11 | C12 | O4 | C13 | 120.9° | 119.3° |
| C11 | C12 | O4 | H5 | 119.4° | 120.3° |
| C11 | C12 | C13 | H5 | 119.0° | 119.8° |
| C11 | C12 | O4 | C42 | 179.6° | 150.0° |
| C11 | C12 | C13 | C24 | 33.4° | 66.9° |
| C11 | C12 | C13 | C14 | 146.7° | 113.7° |
| C12 | C11 | C10 | H3 | 0.5° | 31.5° |
| C12 | C11 | C22 | H18 | 168.0° | 54.8° |
| C12 | C11 | C22 | H19 | 48.8° | 65.2° |
| C4 | C3 | C2 | O2 | 179.8° | 5.3° |
| C4 | C3 | C2 | O1 | 0.1° | 174.8° |
| C4 | C3 | C1 | H1 | 143.3° | 116.6° |
| C4 | C3 | C1 | H2 | 22.5° | 3.5° |
| C3 | C4 | C5 | H58 | 0.1° | 4.3° |
| C3 | C2 | O2 | O1 | 179.9° | 179.9° |
| C3 | C2 | O1 | C18 | 140.4° | 123.9° |
| C2 | C3 | C1 | H1 | 37.2° | 62.5° |
| C2 | C3 | C1 | H2 | 157.9° | 177.5° |
| C2 | C3 | C4 | H41 | 0.0° | 3.2° |
| O4 | C12 | C13 | H5 | 120.7° | 120.4° |
| O4 | C12 | C13 | C24 | 86.9° | 52.9° |
| O4 | C12 | C13 | C14 | 93.1° | 126.5° |
| C12 | O4 | C42 | C43 | 128.0° | 175.1° |
| C12 | O4 | C42 | O14 | 109.8° | 65.0° |
| O4 | C12 | C11 | H4 | 56.0° | 111.9° |
| C12 | O4 | C42 | H48 | 9.8° | 55.0° |
| C13 | C12 | O4 | C42 | 59.4° | 90.7° |
| C12 | C13 | C24 | C14 | 179.9° | 179.3° |
| C12 | C13 | C14 | C15 | 179.9° | 179.3° |
| C13 | C12 | C11 | H4 | 64.7° | 7.9° |
| C12 | C13 | C14 | H6 | 0.1° | 1.1° |
| C12 | C13 | C24 | H23 | 180.0° | 0.6° |
| C12 | C13 | C24 | H24 | 60.0° | 120.6° |
| C12 | C13 | C24 | H25 | 60.0° | 119.4° |
| O4 | C42 | C43 | O15 | 53.7° | 57.7° |
| O4 | C42 | C43 | O14 | 120.4° | 120.0° |
| O4 | C42 | C43 | H48 | 119.2° | 120.0° |
| O4 | C42 | C43 | C44 | 173.9° | 177.6° |
| O4 | C42 | O14 | H48 | 119.7° | 120.0° |
| O4 | C42 | O14 | C46 | 176.7° | 178.9° |
| C42 | O4 | C12 | H5 | 60.3° | 29.7° |
| O4 | C42 | C43 | H49 | 65.8° | 62.5° |
| C24 | C13 | C14 | C15 | 0.0° | 1.3° |
| C24 | C13 | C12 | H5 | 152.4° | 173.3° |
| C24 | C13 | C14 | H6 | 180.0° | 178.2° |
| C13 | C24 | H23 | H24 | 120.1° | 120.0° |
| C13 | C24 | H23 | H25 | 120.0° | 120.0° |
| C13 | C24 | H24 | H25 | 120.0° | 120.0° |
| C13 | C14 | C15 | H6 | 180.0° | 179.6° |
| C13 | C14 | C15 | C25 | 0.1° | 6.8° |
| C13 | C14 | C15 | C16 | 180.0° | 173.4° |
| C14 | C13 | C12 | H5 | 27.6° | 6.1° |
| C14 | C13 | C24 | H23 | 0.1° | 179.9° |
| C14 | C13 | C24 | H24 | 120.0° | 60.1° |
| C14 | C13 | C24 | H25 | 120.1° | 60.0° |
| O2 | C2 | O1 | C18 | 39.8° | 56.2° |
| C2 | O1 | C18 | C17 | 155.0° | 92.3° |
| C2 | O1 | C18 | C19 | 85.0° | 147.7° |
| C2 | O1 | C18 | H10 | 35.2° | 27.6° |
| C14 | C15 | C25 | C16 | 179.9° | 179.8° |
| C14 | C15 | C16 | C17 | 180.0° | 180.0° |
| C14 | C15 | C16 | H7 | 0.1° | 0.1° |
| C14 | C15 | C25 | H26 | 180.0° | 94.3° |
| C14 | C15 | C25 | H27 | 60.0° | 145.7° |
| C14 | C15 | C25 | H28 | 60.0° | 25.7° |
| O15 | C43 | C42 | C44 | 120.2° | 119.9° |
| O15 | C43 | C42 | H49 | 119.5° | 120.2° |
| O15 | C43 | C44 | H49 | 119.5° | 120.2° |
| O15 | C43 | C42 | O14 | 66.7° | 62.3° |
| O15 | C43 | C44 | O16 | 50.1° | 57.0° |
| O15 | C43 | C44 | C45 | 70.0° | 62.9° |
| O15 | C43 | C42 | H48 | 172.9° | 177.7° |
| O15 | C43 | C44 | H50 | 169.3° | 177.2° |
| C42 | C43 | C44 | H49 | 120.0° | 119.9° |
| C43 | C42 | O14 | H48 | 119.7° | 120.0° |
| C42 | C43 | C44 | O16 | 170.6° | 176.9° |
| C42 | C43 | C44 | C45 | 50.5° | 57.0° |
| C43 | C42 | O14 | C46 | 56.0° | 61.2° |
| C42 | C43 | C44 | H50 | 70.2° | 62.9° |
| C42 | C43 | O15 | H72 | 180.0° | 60.0° |
| C44 | C43 | C42 | O14 | 53.5° | 57.6° |
| C43 | C44 | O16 | C45 | 122.3° | 119.6° |
| C43 | C44 | O16 | H50 | 118.7° | 120.2° |
| C43 | C44 | C45 | H50 | 120.5° | 119.9° |
| C43 | C44 | C45 | C46 | 49.3° | 57.0° |
| C43 | C44 | C45 | O17 | 169.6° | 176.9° |
| C44 | C43 | C42 | H48 | 66.9° | 62.4° |
| C43 | C44 | C45 | H51 | 70.9° | 62.9° |
| C44 | C43 | O15 | H72 | 57.6° | 179.7° |
| C43 | C44 | O16 | H73 | 180.0° | 60.0° |
| C42 | O14 | C46 | C45 | 55.1° | 61.1° |
| C42 | O14 | C46 | C48 | 65.5° | 58.8° |
| C42 | O14 | C46 | C47 | 175.5° | 178.8° |
| O14 | C42 | C43 | H49 | 173.8° | 177.5° |
| O1 | C18 | C17 | C16 | 68.0° | 73.5° |
| O1 | C18 | C17 | C19 | 119.5° | 120.0° |
| O1 | C18 | C17 | H10 | 120.5° | 120.0° |
| O1 | C18 | C19 | H10 | 120.8° | 120.1° |
| O1 | C18 | C19 | O5A | 49.4° | 179.9° |
| O1 | C18 | C19 | C20 | 169.5° | 60.0° |
| O1 | C18 | C17 | H8 | 171.6° | 166.5° |
| O1 | C18 | C17 | H9 | 52.4° | 46.6° |
| O1 | C18 | C19 | H11 | 71.3° | 59.9° |
| C25 | C15 | C16 | C17 | 0.0° | 0.1° |
| C25 | C15 | C14 | H6 | 179.9° | 173.6° |
| C25 | C15 | C16 | H7 | 180.0° | 179.9° |
| C15 | C25 | H26 | H27 | 120.0° | 120.0° |
| C15 | C25 | H26 | H28 | 120.0° | 120.0° |
| C15 | C25 | H27 | H28 | 120.0° | 119.9° |
| C15 | C16 | C17 | H7 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 90.7° | 149.3° |
| C16 | C15 | C14 | H6 | 0.0° | 6.2° |
| C15 | C16 | C17 | H8 | 149.0° | 90.6° |
| C15 | C16 | C17 | H9 | 29.7° | 29.3° |
| C16 | C15 | C25 | H26 | 0.1° | 85.5° |
| C16 | C15 | C25 | H27 | 120.1° | 34.5° |
| C16 | C15 | C25 | H28 | 119.9° | 154.5° |
| C16 | C17 | C18 | H8 | 120.4° | 120.1° |
| C16 | C17 | C18 | H9 | 120.4° | 120.1° |
| C16 | C17 | C18 | C19 | 172.5° | 166.5° |
| C16 | C17 | H8 | H9 | 118.9° | 120.0° |
| C16 | C17 | C18 | H10 | 52.5° | 46.5° |
| C17 | C18 | C19 | H10 | 119.9° | 120.0° |
| C17 | C18 | C19 | O5A | 69.8° | 60.0° |
| C17 | C18 | C19 | C20 | 50.3° | 180.0° |
| C18 | C17 | C16 | H7 | 89.3° | 30.7° |
| C18 | C17 | H8 | H9 | 118.9° | 119.8° |
| C17 | C18 | C19 | H11 | 169.5° | 60.0° |
| C18 | C19 | O5A | C20 | 120.5° | 120.0° |
| C18 | C19 | O5A | H11 | 119.8° | 120.0° |
| C18 | C19 | C20 | H11 | 119.2° | 119.9° |
| C19 | C18 | C17 | H8 | 52.1° | 46.4° |
| C19 | C18 | C17 | H9 | 67.1° | 73.5° |
| C18 | C19 | C20 | H12 | 180.0° | 60.1° |
| C18 | C19 | C20 | H13 | 60.0° | 180.0° |
| C18 | C19 | C20 | H14 | 60.0° | 60.0° |
| C18 | C19 | O5A | H75 | 180.0° | 60.0° |
| O16 | C44 | C45 | H50 | 119.3° | 120.2° |
| O16 | C44 | C45 | C46 | 169.5° | 176.8° |
| O16 | C44 | C45 | O17 | 70.2° | 63.2° |
| O16 | C44 | C43 | H49 | 69.4° | 63.2° |
| O16 | C44 | C45 | H51 | 49.3° | 57.0° |
| C44 | C45 | C46 | O14 | 51.7° | 57.6° |
| C44 | C45 | C46 | O17 | 120.2° | 119.9° |
| C44 | C45 | C46 | H51 | 120.8° | 119.9° |
| C44 | C45 | O17 | H51 | 119.4° | 120.2° |
| C44 | C45 | C46 | C48 | 68.9° | 62.4° |
| C44 | C45 | C46 | C47 | 172.2° | 177.6° |
| C44 | C45 | O17 | C49 | 155.7° | 90.0° |
| C45 | C44 | C43 | H49 | 170.5° | 176.9° |
| C45 | C44 | O16 | H73 | 57.7° | 179.6° |
| O14 | C46 | C45 | C48 | 120.6° | 120.0° |
| O14 | C46 | C45 | C47 | 120.4° | 120.0° |
| O14 | C46 | C45 | O17 | 171.9° | 177.5° |
| O14 | C46 | C48 | C47 | 118.6° | 120.0° |
| C46 | O14 | C42 | H48 | 63.6° | 58.9° |
| O14 | C46 | C45 | H51 | 69.1° | 62.3° |
| O14 | C46 | C47 | H52 | 180.0° | 59.9° |
| O14 | C46 | C47 | H53 | 60.0° | 60.0° |
| O14 | C46 | C47 | H54 | 60.0° | 180.0° |
| O14 | C46 | C48 | H55 | 180.0° | 180.0° |
| O14 | C46 | C48 | H56 | 60.0° | 60.1° |
| O14 | C46 | C48 | H57 | 60.0° | 59.9° |
| O5A | C19 | C20 | H11 | 120.8° | 120.0° |
| O5A | C19 | C18 | H10 | 170.2° | 60.0° |
| O5A | C19 | C20 | H12 | 59.9° | 60.0° |
| O5A | C19 | C20 | H13 | 179.9° | 60.0° |
| O5A | C19 | C20 | H14 | 60.1° | 180.0° |
| C20 | C19 | C18 | H10 | 69.6° | 60.1° |
| C19 | C20 | H12 | H13 | 120.0° | 119.9° |
| C19 | C20 | H12 | H14 | 120.0° | 120.0° |
| C19 | C20 | H13 | H14 | 120.0° | 120.0° |
| C20 | C19 | O5A | H75 | 59.5° | 60.0° |
| C46 | C45 | O17 | H51 | 118.3° | 120.1° |
| C45 | C46 | C48 | C47 | 118.6° | 120.0° |
| C46 | C45 | O17 | C49 | 82.0° | 150.3° |
| C46 | C45 | C44 | H50 | 71.2° | 62.9° |
| C45 | C46 | C47 | H52 | 57.3° | 60.0° |
| C45 | C46 | C47 | H53 | 62.7° | 180.0° |
| C45 | C46 | C47 | H54 | 177.3° | 60.0° |
| C45 | C46 | C48 | H55 | 57.2° | 60.1° |
| C45 | C46 | C48 | H56 | 177.2° | 180.0° |
| C45 | C46 | C48 | H57 | 62.8° | 60.0° |
| O17 | C45 | C46 | C48 | 51.3° | 57.6° |
| O17 | C45 | C46 | C47 | 67.6° | 62.5° |
| C45 | O17 | C49 | O18 | 11.6° | 0.0° |
| C45 | O17 | C49 | C50 | 168.6° | 180.0° |
| O17 | C45 | C44 | H50 | 49.1° | 57.0° |
| C48 | C46 | C45 | H51 | 170.3° | 177.7° |
| C48 | C46 | C47 | H52 | 61.3° | 180.0° |
| C48 | C46 | C47 | H53 | 178.7° | 60.0° |
| C48 | C46 | C47 | H54 | 58.7° | 60.0° |
| C46 | C48 | H55 | H56 | 120.0° | 119.9° |
| C46 | C48 | H55 | H57 | 120.0° | 120.0° |
| C46 | C48 | H56 | H57 | 120.0° | 120.0° |
| C47 | C46 | C45 | H51 | 51.4° | 57.7° |
| C46 | C47 | H52 | H53 | 120.0° | 119.9° |
| C46 | C47 | H52 | H54 | 120.0° | 120.1° |
| C46 | C47 | H53 | H54 | 120.0° | 120.0° |
| C47 | C46 | C48 | H55 | 61.4° | 60.0° |
| C47 | C46 | C48 | H56 | 58.7° | 60.0° |
| C47 | C46 | C48 | H57 | 178.6° | 180.0° |
| O17 | C49 | O18 | C50 | 179.9° | 180.0° |
| O17 | C49 | C50 | C52 | 41.7° | 180.0° |
| O17 | C49 | C50 | C51 | 82.5° | 60.0° |
| C49 | O17 | C45 | H51 | 36.3° | 30.2° |
| O17 | C49 | C50 | H59 | 159.6° | 60.0° |
| O18 | C49 | C50 | C52 | 138.5° | 0.0° |
| O18 | C49 | C50 | C51 | 97.3° | 120.0° |
| O18 | C49 | C50 | H59 | 20.5° | 120.0° |
| C49 | C50 | C52 | C51 | 124.1° | 120.0° |
| C49 | C50 | C52 | H59 | 118.1° | 120.0° |
| C49 | C50 | C51 | H59 | 118.0° | 120.0° |
| C49 | C50 | C51 | H60 | 180.0° | 60.0° |
| C49 | C50 | C51 | H61 | 60.0° | 180.0° |
| C49 | C50 | C51 | H62 | 60.0° | 60.0° |
| C49 | C50 | C52 | H63 | 180.0° | 60.0° |
| C49 | C50 | C52 | H64 | 60.0° | 180.0° |
| C49 | C50 | C52 | H65 | 60.0° | 59.9° |
| C52 | C50 | C51 | H59 | 117.9° | 120.0° |
| C52 | C50 | C51 | H60 | 55.9° | 60.0° |
| C52 | C50 | C51 | H61 | 64.2° | 60.0° |
| C52 | C50 | C51 | H62 | 175.9° | 180.0° |
| C50 | C52 | H63 | H64 | 120.0° | 119.9° |
| C50 | C52 | H63 | H65 | 120.0° | 120.0° |
| C50 | C52 | H64 | H65 | 120.0° | 120.1° |
| C50 | C51 | H60 | H61 | 120.0° | 120.0° |
| C50 | C51 | H60 | H62 | 120.0° | 120.0° |
| C50 | C51 | H61 | H62 | 120.0° | 120.0° |
| C51 | C50 | C52 | H63 | 55.9° | 180.0° |
| C51 | C50 | C52 | H64 | 175.9° | 60.0° |
| C51 | C50 | C52 | H65 | 64.1° | 60.0° |
| H3 | C10 | C11 | H4 | 120.8° | 151.4° |
| H4 | C11 | C12 | H5 | 176.3° | 127.7° |
| H4 | C11 | C22 | H18 | 72.4° | 65.2° |
| H4 | C11 | C22 | H19 | 168.4° | 174.8° |
| H7 | C16 | C17 | H8 | 31.0° | 89.4° |
| H7 | C16 | C17 | H9 | 150.3° | 150.7° |
| H8 | C17 | C18 | H10 | 67.9° | 73.6° |
| H9 | C17 | C18 | H10 | 172.8° | 166.5° |
| H10 | C18 | C19 | H11 | 49.5° | 180.0° |
| H11 | C19 | C20 | H12 | 60.9° | 180.0° |
| H11 | C19 | C20 | H13 | 59.2° | 60.1° |
| H11 | C19 | C20 | H14 | 179.2° | 60.0° |
| H11 | C19 | O5A | H75 | 60.3° | 180.0° |
| H12 | C20 | H13 | H14 | 120.0° | 120.0° |
| H15 | C21 | H16 | H17 | 120.0° | 120.0° |
| H18 | C22 | C23 | H20 | 59.5° | 65.9° |
| H18 | C22 | C23 | H21 | 60.5° | 54.0° |
| H18 | C22 | C23 | H22 | 179.6° | 174.0° |
| H19 | C22 | C23 | H20 | 59.6° | 174.1° |
| H19 | C22 | C23 | H21 | 179.6° | 66.0° |
| H19 | C22 | C23 | H22 | 60.4° | 54.0° |
| H20 | C23 | H21 | H22 | 120.0° | 120.1° |
| H23 | C24 | H24 | H25 | 119.9° | 120.0° |
| H26 | C25 | H27 | H28 | 120.0° | 120.0° |
| H29 | C26 | C27 | H30 | 52.3° | 57.5° |
| H30 | C27 | C28 | H31 | 45.1° | 56.9° |
| H31 | C28 | C29 | H32 | 163.4° | 177.1° |
| H31 | C28 | O8 | H76 | 86.7° | 60.2° |
| H32 | C29 | C30 | H34 | 168.3° | 177.7° |
| H34 | C30 | C31 | H35 | 62.2° | 180.0° |
| H34 | C30 | C31 | H36 | 57.8° | 60.0° |
| H34 | C30 | C31 | H37 | 177.8° | 60.0° |
| H35 | C31 | H36 | H37 | 120.0° | 120.0° |
| H38 | C32 | H39 | H40 | 120.0° | 120.0° |
| H41 | C4 | C5 | H58 | 179.9° | 176.9° |
| H43 | C40 | C41 | H45 | 59.6° | 179.9° |
| H43 | C40 | C41 | H46 | 179.6° | 60.0° |
| H43 | C40 | C41 | H47 | 60.4° | 60.0° |
| H44 | C40 | C41 | H45 | 59.6° | 60.0° |
| H44 | C40 | C41 | H46 | 60.4° | 180.0° |
| H44 | C40 | C41 | H47 | 179.6° | 60.0° |
| H45 | C41 | H46 | H47 | 120.0° | 119.9° |
| H48 | C42 | C43 | H49 | 53.4° | 57.5° |
| H49 | C43 | C44 | H50 | 49.8° | 57.0° |
| H49 | C43 | O15 | H72 | 61.3° | 60.2° |
| H50 | C44 | C45 | H51 | 168.6° | 177.2° |
| H50 | C44 | O16 | H73 | 61.3° | 60.3° |
| H52 | C47 | H53 | H54 | 120.0° | 120.0° |
| H55 | C48 | H56 | H57 | 119.9° | 120.1° |
| H58 | C5 | C6 | H66 | 179.9° | 179.2° |
| H59 | C50 | C51 | H60 | 62.0° | 180.0° |
| H59 | C50 | C51 | H61 | 178.0° | 60.0° |
| H59 | C50 | C51 | H62 | 58.0° | 60.0° |
| H59 | C50 | C52 | H63 | 61.9° | 60.0° |
| H59 | C50 | C52 | H64 | 58.1° | 60.0° |
| H59 | C50 | C52 | H65 | 178.1° | 179.9° |
| H60 | C51 | H61 | H62 | 120.0° | 120.0° |
| H63 | C52 | H64 | H65 | 120.0° | 120.0° |
| H66 | C6 | C7 | H67 | 40.1° | 53.0° |
| H66 | C6 | C7 | H68 | 159.6° | 173.0° |
| H67 | C7 | C8 | H69 | 60.1° | 37.8° |
| H68 | C7 | C8 | H69 | 59.5° | 82.1° |
| H69 | C8 | O3 | H74 | 60.0° | 59.9° |
