UYH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C45 | C44 | sing | 1.53Å | 1.60Å | |
| C44 | C43 | sing | 1.53Å | 1.60Å | |
| C43 | C42 | sing | 1.53Å | 1.60Å | |
| C42 | C41 | sing | 1.53Å | 1.60Å | |
| C26 | C27 | sing | 1.53Å | 1.60Å | |
| C26 | C25 | sing | 1.53Å | 1.60Å | |
| C25 | C24 | sing | 1.53Å | 1.61Å | |
| C41 | C40 | sing | 1.53Å | 1.60Å | |
| C40 | C39 | sing | 1.53Å | 1.60Å | |
| C24 | C23 | sing | 1.53Å | 1.60Å | |
| C39 | C38 | sing | 1.53Å | 1.60Å | |
| C23 | C22 | sing | 1.53Å | 1.60Å | |
| C22 | C21 | sing | 1.53Å | 1.61Å | |
| C38 | C37 | sing | 1.53Å | 1.60Å | |
| C37 | C36 | sing | 1.53Å | 1.60Å | |
| C21 | C20 | sing | 1.53Å | 1.60Å | |
| C36 | C35 | sing | 1.53Å | 1.60Å | |
| C20 | C19 | sing | 1.53Å | 1.60Å | |
| C35 | C34 | sing | 1.53Å | 1.60Å | |
| C34 | C33 | sing | 1.53Å | 1.60Å | |
| C19 | C18 | sing | 1.53Å | 1.60Å | |
| C33 | C32 | sing | 1.53Å | 1.60Å | |
| C17 | C18 | sing | 1.53Å | 1.60Å | |
| C17 | C16 | sing | 1.53Å | 1.60Å | |
| C32 | C31 | sing | 1.53Å | 1.60Å | |
| C16 | C15 | sing | 1.53Å | 1.60Å | |
| C15 | C14 | sing | 1.53Å | 1.60Å | |
| C31 | C30 | sing | 1.53Å | 1.60Å | |
| C14 | C13 | sing | 1.53Å | 1.60Å | |
| C30 | C29 | sing | 1.53Å | 1.60Å | |
| C13 | C12 | sing | 1.53Å | 1.59Å | |
| C29 | C28 | sing | 1.51Å | 1.60Å | |
| C12 | C11 | sing | 1.53Å | 1.59Å | |
| O10 | C28 | doub | 1.21Å | 1.24Å | |
| C28 | O8 | sing | 1.34Å | 1.47Å | |
| C11 | C10 | sing | 1.51Å | 1.59Å | |
| O8 | C9 | sing | 1.45Å | 1.46Å | |
| O7 | C10 | sing | 1.34Å | 1.46Å | |
| O7 | C8 | sing | 1.45Å | 1.46Å | |
| C10 | O9 | doub | 1.21Å | 1.24Å | |
| C9 | C8 | sing | 1.53Å | 1.60Å | |
| C8 | C7 | sing | 1.53Å | 1.59Å | |
| C7 | O1 | sing | 1.43Å | 1.46Å | |
| O1 | C1 | sing | 1.43Å | 1.45Å | |
| C1 | O6 | sing | 1.43Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.59Å | |
| O6 | C5 | sing | 1.43Å | 1.46Å | |
| O2 | C2 | sing | 1.43Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.60Å | |
| C5 | C6 | sing | 1.53Å | 1.60Å | |
| C5 | C4 | sing | 1.53Å | 1.60Å | |
| C6 | O5 | sing | 1.43Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.60Å | |
| C3 | O3 | sing | 1.43Å | 1.47Å | |
| C4 | O4 | sing | 1.43Å | 1.47Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| O2 | H14 | sing | 0.97Å | 0.95Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C3 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C30 | H51 | sing | 1.09Å | 1.10Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C31 | H53 | sing | 1.09Å | 1.10Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C34 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C35 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | H61 | sing | 1.09Å | 1.10Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C38 | H66 | sing | 1.09Å | 1.10Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C39 | H68 | sing | 1.09Å | 1.10Å | |
| C39 | H69 | sing | 1.09Å | 1.10Å | |
| C40 | H70 | sing | 1.09Å | 1.10Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| C41 | H72 | sing | 1.09Å | 1.10Å | |
| C41 | H73 | sing | 1.09Å | 1.10Å | |
| C42 | H74 | sing | 1.09Å | 1.10Å | |
| C42 | H75 | sing | 1.09Å | 1.10Å | |
| C43 | H76 | sing | 1.09Å | 1.10Å | |
| C43 | H77 | sing | 1.09Å | 1.10Å | |
| C44 | H78 | sing | 1.09Å | 1.10Å | |
| C44 | H79 | sing | 1.09Å | 1.10Å | |
| C45 | H80 | sing | 1.09Å | 1.10Å | |
| C45 | H81 | sing | 1.09Å | 1.10Å | |
| C45 | H82 | sing | 1.09Å | 1.10Å | |
| C7 | H83 | sing | 1.09Å | 1.10Å | |
| C7 | H84 | sing | 1.09Å | 1.10Å | |
| O3 | H85 | sing | 0.97Å | 0.95Å | |
| O5 | H86 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C45 | C44 | C43 | 109.2° | 109.5° |
| C45 | C44 | H78 | 109.5° | 109.5° |
| C45 | C44 | H79 | 109.5° | 109.5° |
| C44 | C45 | H80 | 109.5° | 109.5° |
| C44 | C45 | H81 | 109.5° | 109.4° |
| C44 | C45 | H82 | 109.4° | 109.5° |
| C44 | C43 | C42 | 109.8° | 109.5° |
| C44 | C43 | H76 | 109.4° | 109.5° |
| C44 | C43 | H77 | 109.4° | 109.5° |
| C43 | C44 | H78 | 109.6° | 109.4° |
| C43 | C44 | H79 | 109.5° | 109.4° |
| C43 | C42 | C41 | 108.6° | 109.4° |
| C43 | C42 | H74 | 109.7° | 109.5° |
| C43 | C42 | H75 | 109.7° | 109.5° |
| C42 | C43 | H76 | 109.4° | 109.5° |
| C42 | C43 | H77 | 109.4° | 109.5° |
| C42 | C41 | C40 | 110.9° | 109.4° |
| C42 | C41 | H72 | 109.1° | 109.5° |
| C42 | C41 | H73 | 109.1° | 109.5° |
| C41 | C42 | H74 | 109.7° | 109.4° |
| C41 | C42 | H75 | 109.7° | 109.5° |
| C27 | C26 | C25 | 109.9° | 109.4° |
| C27 | C26 | H42 | 109.4° | 109.5° |
| C27 | C26 | H43 | 109.4° | 109.4° |
| C26 | C27 | H44 | 109.5° | 109.5° |
| C26 | C27 | H45 | 109.5° | 109.5° |
| C26 | C27 | H46 | 109.5° | 109.4° |
| C26 | C25 | C24 | 110.7° | 109.4° |
| C26 | C25 | H40 | 109.2° | 109.5° |
| C26 | C25 | H41 | 109.2° | 109.5° |
| C25 | C26 | H42 | 109.4° | 109.5° |
| C25 | C26 | H43 | 109.4° | 109.4° |
| C25 | C24 | C23 | 108.1° | 109.4° |
| C25 | C24 | H38 | 109.8° | 109.5° |
| C25 | C24 | H39 | 109.8° | 109.5° |
| C24 | C25 | H40 | 109.2° | 109.5° |
| C24 | C25 | H41 | 109.2° | 109.4° |
| C41 | C40 | C39 | 109.0° | 109.5° |
| C41 | C40 | H70 | 109.6° | 109.5° |
| C41 | C40 | H71 | 109.6° | 109.5° |
| C40 | C41 | H72 | 109.1° | 109.5° |
| C40 | C41 | H73 | 109.1° | 109.5° |
| C40 | C39 | C38 | 110.8° | 109.5° |
| C40 | C39 | H68 | 109.2° | 109.5° |
| C40 | C39 | H69 | 109.1° | 109.5° |
| C39 | C40 | H70 | 109.6° | 109.5° |
| C39 | C40 | H71 | 109.6° | 109.4° |
| C24 | C23 | C22 | 109.9° | 109.4° |
| C24 | C23 | H36 | 109.4° | 109.5° |
| C24 | C23 | H37 | 109.4° | 109.4° |
| C23 | C24 | H38 | 109.8° | 109.5° |
| C23 | C24 | H39 | 109.8° | 109.5° |
| C39 | C38 | C37 | 108.9° | 109.4° |
| C39 | C38 | H66 | 109.6° | 109.5° |
| C39 | C38 | H67 | 109.6° | 109.5° |
| C38 | C39 | H68 | 109.1° | 109.5° |
| C38 | C39 | H69 | 109.2° | 109.5° |
| C23 | C22 | C21 | 108.8° | 109.4° |
| C23 | C22 | H34 | 109.6° | 109.5° |
| C23 | C22 | H35 | 109.6° | 109.5° |
| C22 | C23 | H36 | 109.3° | 109.5° |
| C22 | C23 | H37 | 109.3° | 109.5° |
| C22 | C21 | C20 | 111.5° | 109.5° |
| C22 | C21 | H32 | 109.0° | 109.5° |
| C22 | C21 | H33 | 109.0° | 109.5° |
| C21 | C22 | H34 | 109.6° | 109.5° |
| C21 | C22 | H35 | 109.7° | 109.4° |
| C38 | C37 | C36 | 110.8° | 109.4° |
| C38 | C37 | H64 | 109.1° | 109.5° |
| C38 | C37 | H65 | 109.1° | 109.5° |
| C37 | C38 | H66 | 109.6° | 109.5° |
| C37 | C38 | H67 | 109.6° | 109.5° |
| C37 | C36 | C35 | 109.8° | 109.4° |
| C37 | C36 | H62 | 109.4° | 109.4° |
| C37 | C36 | H63 | 109.4° | 109.5° |
| C36 | C37 | H64 | 109.1° | 109.4° |
| C36 | C37 | H65 | 109.2° | 109.5° |
| C21 | C20 | C19 | 111.7° | 109.5° |
| C21 | C20 | H30 | 108.9° | 109.5° |
| C21 | C20 | H31 | 108.9° | 109.4° |
| C20 | C21 | H32 | 108.9° | 109.5° |
| C20 | C21 | H33 | 108.9° | 109.4° |
| C36 | C35 | C34 | 108.1° | 109.4° |
| C36 | C35 | H60 | 109.8° | 109.5° |
| C36 | C35 | H61 | 109.8° | 109.5° |
| C35 | C36 | H62 | 109.4° | 109.5° |
| C35 | C36 | H63 | 109.4° | 109.5° |
| C20 | C19 | C18 | 106.8° | 109.5° |
| C20 | C19 | H28 | 110.1° | 109.5° |
| C20 | C19 | H29 | 110.2° | 109.4° |
| C19 | C20 | H30 | 108.9° | 109.5° |
| C19 | C20 | H31 | 108.9° | 109.5° |
| C35 | C34 | C33 | 110.0° | 109.5° |
| C35 | C34 | H58 | 109.3° | 109.5° |
| C35 | C34 | H59 | 109.4° | 109.5° |
| C34 | C35 | H60 | 109.8° | 109.5° |
| C34 | C35 | H61 | 109.8° | 109.5° |
| C34 | C33 | C32 | 109.9° | 109.5° |
| C34 | C33 | H56 | 109.3° | 109.5° |
| C34 | C33 | H57 | 109.4° | 109.5° |
| C33 | C34 | H58 | 109.4° | 109.5° |
| C33 | C34 | H59 | 109.3° | 109.5° |
| C19 | C18 | C17 | 109.7° | 109.5° |
| C19 | C18 | H26 | 109.4° | 109.5° |
| C19 | C18 | H27 | 109.4° | 109.5° |
| C18 | C19 | H28 | 110.2° | 109.5° |
| C18 | C19 | H29 | 110.1° | 109.5° |
| C33 | C32 | C31 | 107.6° | 109.5° |
| C33 | C32 | H54 | 109.9° | 109.4° |
| C33 | C32 | H55 | 109.9° | 109.5° |
| C32 | C33 | H56 | 109.3° | 109.4° |
| C32 | C33 | H57 | 109.4° | 109.5° |
| C18 | C17 | C16 | 110.9° | 109.5° |
| C18 | C17 | H24 | 109.1° | 109.5° |
| C18 | C17 | H25 | 109.1° | 109.5° |
| C17 | C18 | H26 | 109.4° | 109.5° |
| C17 | C18 | H27 | 109.4° | 109.4° |
| C17 | C16 | C15 | 110.8° | 109.4° |
| C17 | C16 | H22 | 109.1° | 109.5° |
| C17 | C16 | H23 | 109.1° | 109.4° |
| C16 | C17 | H24 | 109.1° | 109.5° |
| C16 | C17 | H25 | 109.1° | 109.4° |
| C32 | C31 | C30 | 109.3° | 109.5° |
| C32 | C31 | H52 | 109.5° | 109.4° |
| C32 | C31 | H53 | 109.5° | 109.4° |
| C31 | C32 | H54 | 110.0° | 109.5° |
| C31 | C32 | H55 | 110.0° | 109.5° |
| C16 | C15 | C14 | 109.0° | 109.4° |
| C16 | C15 | H20 | 109.6° | 109.5° |
| C16 | C15 | H21 | 109.6° | 109.4° |
| C15 | C16 | H22 | 109.1° | 109.5° |
| C15 | C16 | H23 | 109.1° | 109.5° |
| C15 | C14 | C13 | 107.9° | 109.4° |
| C15 | C14 | H18 | 109.9° | 109.5° |
| C15 | C14 | H19 | 109.9° | 109.5° |
| C14 | C15 | H20 | 109.6° | 109.5° |
| C14 | C15 | H21 | 109.6° | 109.5° |
| C31 | C30 | C29 | 108.3° | 109.5° |
| C31 | C30 | H50 | 109.8° | 109.5° |
| C31 | C30 | H51 | 109.7° | 109.5° |
| C30 | C31 | H52 | 109.5° | 109.5° |
| C30 | C31 | H53 | 109.5° | 109.5° |
| C14 | C13 | C12 | 106.8° | 109.4° |
| C14 | C13 | H16 | 110.1° | 109.5° |
| C14 | C13 | H17 | 110.1° | 109.5° |
| C13 | C14 | H18 | 109.9° | 109.5° |
| C13 | C14 | H19 | 109.8° | 109.4° |
| C30 | C29 | C28 | 109.5° | 109.5° |
| C30 | C29 | H47 | 109.5° | 109.4° |
| C30 | C29 | H48 | 109.5° | 109.4° |
| C29 | C30 | H50 | 109.8° | 109.5° |
| C29 | C30 | H51 | 109.8° | 109.5° |
| C13 | C12 | C11 | 107.1° | 109.4° |
| C13 | C12 | H11 | 110.0° | 109.5° |
| C13 | C12 | H12 | 110.0° | 109.4° |
| C12 | C13 | H16 | 110.1° | 109.5° |
| C12 | C13 | H17 | 110.1° | 109.4° |
| C29 | C28 | O10 | 121.1° | 120.0° |
| C29 | C28 | O8 | 117.6° | 120.0° |
| C28 | C29 | H47 | 109.5° | 109.5° |
| C28 | C29 | H48 | 109.5° | 109.5° |
| C12 | C11 | C10 | 107.0° | 109.5° |
| C12 | C11 | H9 | 110.1° | 109.5° |
| C12 | C11 | H10 | 110.1° | 109.5° |
| C11 | C12 | H11 | 110.1° | 109.5° |
| C11 | C12 | H12 | 110.1° | 109.5° |
| O10 | C28 | O8 | 121.2° | 120.0° |
| C28 | O8 | C9 | 114.7° | 117.0° |
| C11 | C10 | O7 | 116.0° | 120.0° |
| C11 | C10 | O9 | 121.1° | 120.0° |
| C10 | C11 | H9 | 110.1° | 109.4° |
| C10 | C11 | H10 | 110.1° | 109.5° |
| O8 | C9 | C8 | 107.8° | 109.5° |
| O8 | C9 | H7 | 109.9° | 109.4° |
| O8 | C9 | H8 | 109.9° | 109.4° |
| C10 | O7 | C8 | 115.7° | 117.0° |
| O7 | C10 | O9 | 122.9° | 120.0° |
| O7 | C8 | C9 | 109.3° | 109.5° |
| O7 | C8 | C7 | 108.8° | 109.5° |
| O7 | C8 | H6 | 111.4° | 109.5° |
| C9 | C8 | C7 | 108.1° | 109.5° |
| C9 | C8 | H6 | 109.5° | 109.5° |
| C8 | C9 | H7 | 109.9° | 109.5° |
| C8 | C9 | H8 | 109.9° | 109.5° |
| C8 | C7 | O1 | 106.0° | 109.5° |
| C7 | C8 | H6 | 109.6° | 109.5° |
| C8 | C7 | H83 | 110.4° | 109.4° |
| C8 | C7 | H84 | 110.3° | 109.4° |
| C7 | O1 | C1 | 110.8° | 114.0° |
| O1 | C7 | H83 | 110.3° | 109.5° |
| O1 | C7 | H84 | 110.3° | 109.5° |
| O1 | C1 | O6 | 106.8° | 109.5° |
| O1 | C1 | C2 | 107.8° | 109.5° |
| O1 | C1 | H15 | 111.3° | 109.5° |
| O6 | C1 | C2 | 110.3° | 109.4° |
| C1 | O6 | C5 | 113.0° | 114.1° |
| O6 | C1 | H15 | 111.1° | 109.5° |
| C1 | C2 | O2 | 108.8° | 109.6° |
| C1 | C2 | C3 | 108.6° | 109.2° |
| C1 | C2 | H1 | 109.3° | 109.5° |
| C2 | C1 | H15 | 109.3° | 109.4° |
| O6 | C5 | C6 | 108.5° | 109.5° |
| O6 | C5 | C4 | 109.1° | 109.4° |
| O6 | C5 | H3 | 111.0° | 109.5° |
| O2 | C2 | C3 | 109.8° | 109.5° |
| O2 | C2 | H1 | 111.0° | 109.5° |
| C2 | O2 | H14 | 109.5° | 114.0° |
| C2 | C3 | C4 | 109.7° | 109.0° |
| C2 | C3 | O3 | 108.6° | 109.5° |
| C3 | C2 | H1 | 109.2° | 109.5° |
| C2 | C3 | H49 | 109.1° | 109.5° |
| C6 | C5 | C4 | 110.1° | 109.5° |
| C5 | C6 | O5 | 109.4° | 109.5° |
| C6 | C5 | H3 | 109.1° | 109.5° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| C5 | C4 | C3 | 110.1° | 109.2° |
| C5 | C4 | O4 | 109.1° | 109.5° |
| C5 | C4 | H2 | 108.9° | 109.5° |
| C4 | C5 | H3 | 109.1° | 109.5° |
| O5 | C6 | H4 | 109.5° | 109.5° |
| O5 | C6 | H5 | 109.5° | 109.4° |
| C6 | O5 | H86 | 109.5° | 114.0° |
| C4 | C3 | O3 | 109.6° | 109.5° |
| C3 | C4 | O4 | 108.9° | 109.5° |
| C3 | C4 | H2 | 109.0° | 109.6° |
| C4 | C3 | H49 | 109.0° | 109.5° |
| O3 | C3 | H49 | 110.8° | 109.7° |
| C3 | O3 | H85 | 109.5° | 114.0° |
| O4 | C4 | H2 | 110.8° | 109.5° |
| C4 | O4 | H13 | 109.5° | 114.0° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.4° |
| H9 | C11 | H10 | 109.5° | 109.4° |
| H11 | C12 | H12 | 109.4° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.6° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| H24 | C17 | H25 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H30 | C20 | H31 | 109.5° | 109.5° |
| H32 | C21 | H33 | 109.5° | 109.4° |
| H34 | C22 | H35 | 109.5° | 109.5° |
| H36 | C23 | H37 | 109.5° | 109.6° |
| H38 | C24 | H39 | 109.5° | 109.5° |
| H40 | C25 | H41 | 109.5° | 109.5° |
| H42 | C26 | H43 | 109.5° | 109.6° |
| H44 | C27 | H45 | 109.5° | 109.5° |
| H44 | C27 | H46 | 109.4° | 109.5° |
| H45 | C27 | H46 | 109.5° | 109.4° |
| H47 | C29 | H48 | 109.4° | 109.5° |
| H50 | C30 | H51 | 109.5° | 109.4° |
| H52 | C31 | H53 | 109.5° | 109.5° |
| H54 | C32 | H55 | 109.5° | 109.5° |
| H56 | C33 | H57 | 109.5° | 109.5° |
| H58 | C34 | H59 | 109.5° | 109.4° |
| H60 | C35 | H61 | 109.5° | 109.5° |
| H62 | C36 | H63 | 109.5° | 109.5° |
| H64 | C37 | H65 | 109.5° | 109.5° |
| H66 | C38 | H67 | 109.4° | 109.5° |
| H68 | C39 | H69 | 109.5° | 109.5° |
| H70 | C40 | H71 | 109.5° | 109.5° |
| H72 | C41 | H73 | 109.5° | 109.5° |
| H74 | C42 | H75 | 109.5° | 109.5° |
| H76 | C43 | H77 | 109.5° | 109.5° |
| H78 | C44 | H79 | 109.5° | 109.5° |
| H80 | C45 | H81 | 109.5° | 109.5° |
| H80 | C45 | H82 | 109.5° | 109.5° |
| H81 | C45 | H82 | 109.5° | 109.5° |
| H83 | C7 | H84 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C45 | C44 | C43 | H78 | 120.0° | 120.0° |
| C45 | C44 | C43 | H79 | 120.0° | 120.0° |
| C45 | C44 | C43 | C42 | 169.7° | 180.0° |
| C45 | C44 | C43 | H76 | 49.7° | 60.0° |
| C45 | C44 | C43 | H77 | 70.2° | 60.0° |
| C45 | C44 | H78 | H79 | 120.1° | 120.1° |
| C44 | C45 | H80 | H81 | 120.0° | 120.0° |
| C44 | C45 | H80 | H82 | 120.0° | 120.0° |
| C44 | C45 | H81 | H82 | 120.0° | 120.0° |
| C44 | C43 | C42 | H76 | 120.0° | 120.0° |
| C44 | C43 | C42 | H77 | 120.1° | 120.0° |
| C44 | C43 | C42 | C41 | 172.5° | 180.0° |
| C44 | C43 | C42 | H74 | 67.7° | 60.0° |
| C44 | C43 | C42 | H75 | 52.6° | 60.1° |
| C44 | C43 | H76 | H77 | 119.8° | 120.0° |
| C43 | C44 | H78 | H79 | 120.1° | 119.9° |
| C43 | C44 | C45 | H80 | 180.0° | 60.0° |
| C43 | C44 | C45 | H81 | 60.0° | 180.0° |
| C43 | C44 | C45 | H82 | 60.0° | 60.0° |
| C43 | C42 | C41 | H74 | 119.9° | 120.0° |
| C43 | C42 | C41 | H75 | 119.9° | 120.0° |
| C43 | C42 | C41 | C40 | 172.2° | 180.0° |
| C43 | C42 | C41 | H72 | 52.0° | 60.0° |
| C43 | C42 | C41 | H73 | 67.6° | 60.0° |
| C43 | C42 | H74 | H75 | 120.4° | 120.1° |
| C42 | C43 | H76 | H77 | 119.9° | 120.0° |
| C42 | C43 | C44 | H78 | 70.3° | 60.0° |
| C42 | C43 | C44 | H79 | 49.7° | 60.0° |
| C42 | C41 | C40 | H72 | 120.2° | 120.0° |
| C42 | C41 | C40 | H73 | 120.2° | 120.0° |
| C42 | C41 | C40 | C39 | 178.8° | 180.0° |
| C42 | C41 | C40 | H70 | 61.3° | 60.0° |
| C42 | C41 | C40 | H71 | 58.9° | 60.0° |
| C42 | C41 | H72 | H73 | 119.4° | 120.0° |
| C41 | C42 | H74 | H75 | 120.4° | 120.0° |
| C41 | C42 | C43 | H76 | 52.4° | 60.0° |
| C41 | C42 | C43 | H77 | 67.5° | 60.0° |
| C27 | C26 | C25 | H42 | 120.1° | 120.0° |
| C27 | C26 | C25 | H43 | 120.1° | 119.9° |
| C27 | C26 | C25 | C24 | 78.0° | 180.0° |
| C27 | C26 | C25 | H40 | 161.8° | 60.0° |
| C27 | C26 | C25 | H41 | 42.2° | 60.1° |
| C27 | C26 | H42 | H43 | 119.8° | 120.0° |
| C26 | C27 | H44 | H45 | 120.0° | 120.1° |
| C26 | C27 | H44 | H46 | 120.0° | 120.0° |
| C26 | C27 | H45 | H46 | 120.0° | 119.9° |
| C26 | C25 | C24 | H40 | 120.2° | 120.0° |
| C26 | C25 | C24 | H41 | 120.2° | 120.0° |
| C26 | C25 | C24 | C23 | 164.7° | 180.0° |
| C26 | C25 | C24 | H38 | 44.9° | 60.0° |
| C26 | C25 | C24 | H39 | 75.5° | 60.0° |
| C26 | C25 | H40 | H41 | 119.4° | 120.1° |
| C25 | C26 | H42 | H43 | 119.8° | 120.0° |
| C25 | C26 | C27 | H44 | 180.0° | 60.0° |
| C25 | C26 | C27 | H45 | 60.0° | 60.1° |
| C25 | C26 | C27 | H46 | 60.0° | 180.0° |
| C25 | C24 | C23 | H38 | 119.8° | 120.0° |
| C25 | C24 | C23 | H39 | 119.8° | 120.0° |
| C25 | C24 | C23 | C22 | 83.6° | 180.0° |
| C25 | C24 | C23 | H36 | 156.4° | 60.0° |
| C25 | C24 | C23 | H37 | 36.5° | 60.1° |
| C25 | C24 | H38 | H39 | 120.6° | 120.0° |
| C24 | C25 | H40 | H41 | 119.5° | 120.0° |
| C24 | C25 | C26 | H42 | 42.0° | 60.0° |
| C24 | C25 | C26 | H43 | 161.9° | 60.1° |
| C41 | C40 | C39 | H70 | 119.9° | 120.0° |
| C41 | C40 | C39 | H71 | 119.9° | 120.0° |
| C41 | C40 | C39 | C38 | 70.8° | 180.0° |
| C41 | C40 | C39 | H68 | 169.0° | 60.0° |
| C41 | C40 | C39 | H69 | 49.4° | 60.0° |
| C41 | C40 | H70 | H71 | 120.2° | 120.1° |
| C40 | C41 | H72 | H73 | 119.3° | 120.0° |
| C40 | C41 | C42 | H74 | 67.9° | 60.0° |
| C40 | C41 | C42 | H75 | 52.4° | 60.0° |
| C40 | C39 | C38 | H68 | 120.2° | 120.0° |
| C40 | C39 | C38 | H69 | 120.2° | 120.0° |
| C40 | C39 | C38 | C37 | 71.3° | 180.0° |
| C40 | C39 | C38 | H66 | 168.7° | 60.0° |
| C40 | C39 | C38 | H67 | 48.6° | 60.1° |
| C40 | C39 | H68 | H69 | 119.4° | 120.0° |
| C39 | C40 | H70 | H71 | 120.2° | 120.0° |
| C39 | C40 | C41 | H72 | 58.6° | 60.0° |
| C39 | C40 | C41 | H73 | 61.0° | 60.0° |
| C24 | C23 | C22 | H36 | 120.1° | 120.0° |
| C24 | C23 | C22 | H37 | 120.1° | 119.9° |
| C24 | C23 | C22 | C21 | 156.0° | 180.0° |
| C24 | C23 | C22 | H34 | 36.1° | 60.0° |
| C24 | C23 | C22 | H35 | 84.1° | 60.1° |
| C24 | C23 | H36 | H37 | 119.8° | 120.0° |
| C23 | C24 | H38 | H39 | 120.6° | 120.0° |
| C23 | C24 | C25 | H40 | 75.2° | 60.0° |
| C23 | C24 | C25 | H41 | 44.5° | 60.0° |
| C39 | C38 | C37 | H66 | 119.9° | 120.0° |
| C39 | C38 | C37 | H67 | 119.9° | 120.0° |
| C39 | C38 | C37 | C36 | 159.8° | 180.0° |
| C39 | C38 | C37 | H64 | 39.6° | 60.0° |
| C39 | C38 | C37 | H65 | 80.0° | 60.0° |
| C39 | C38 | H66 | H67 | 120.3° | 120.1° |
| C38 | C39 | H68 | H69 | 119.4° | 120.0° |
| C38 | C39 | C40 | H70 | 49.1° | 60.0° |
| C38 | C39 | C40 | H71 | 169.2° | 60.0° |
| C23 | C22 | C21 | H34 | 119.9° | 120.0° |
| C23 | C22 | C21 | H35 | 119.9° | 119.9° |
| C23 | C22 | C21 | C20 | 61.0° | 180.0° |
| C23 | C22 | C21 | H32 | 59.3° | 60.0° |
| C23 | C22 | C21 | H33 | 178.7° | 60.0° |
| C23 | C22 | H34 | H35 | 120.3° | 120.0° |
| C22 | C23 | H36 | H37 | 119.8° | 120.1° |
| C22 | C23 | C24 | H38 | 36.2° | 60.0° |
| C22 | C23 | C24 | H39 | 156.6° | 60.0° |
| C22 | C21 | C20 | H32 | 120.3° | 120.1° |
| C22 | C21 | C20 | H33 | 120.3° | 120.0° |
| C22 | C21 | C20 | C19 | 72.3° | 180.0° |
| C22 | C21 | C20 | H30 | 48.0° | 60.0° |
| C22 | C21 | C20 | H31 | 167.3° | 60.0° |
| C22 | C21 | H32 | H33 | 119.1° | 120.0° |
| C21 | C22 | H34 | H35 | 120.3° | 120.0° |
| C21 | C22 | C23 | H36 | 84.0° | 60.0° |
| C21 | C22 | C23 | H37 | 35.9° | 60.1° |
| C38 | C37 | C36 | H64 | 120.2° | 120.0° |
| C38 | C37 | C36 | H65 | 120.2° | 120.0° |
| C38 | C37 | C36 | C35 | 68.5° | 180.0° |
| C38 | C37 | C36 | H62 | 51.5° | 60.0° |
| C38 | C37 | C36 | H63 | 171.4° | 59.9° |
| C38 | C37 | H64 | H65 | 119.4° | 120.0° |
| C37 | C38 | H66 | H67 | 120.3° | 120.0° |
| C37 | C38 | C39 | H68 | 48.9° | 60.0° |
| C37 | C38 | C39 | H69 | 168.5° | 60.0° |
| C37 | C36 | C35 | H62 | 120.1° | 119.9° |
| C37 | C36 | C35 | H63 | 120.1° | 120.0° |
| C37 | C36 | C35 | C34 | 173.7° | 180.0° |
| C37 | C36 | C35 | H60 | 54.0° | 60.0° |
| C37 | C36 | C35 | H61 | 66.5° | 60.0° |
| C37 | C36 | H62 | H63 | 119.9° | 120.0° |
| C36 | C37 | H64 | H65 | 119.4° | 120.0° |
| C36 | C37 | C38 | H66 | 80.3° | 60.0° |
| C36 | C37 | C38 | H67 | 39.9° | 59.9° |
| C21 | C20 | C19 | H30 | 120.3° | 120.0° |
| C21 | C20 | C19 | H31 | 120.4° | 120.0° |
| C21 | C20 | C19 | C18 | 179.3° | 180.0° |
| C21 | C20 | C19 | H28 | 59.7° | 60.0° |
| C21 | C20 | C19 | H29 | 61.2° | 60.0° |
| C21 | C20 | H30 | H31 | 119.0° | 120.0° |
| C20 | C21 | H32 | H33 | 119.0° | 120.0° |
| C20 | C21 | C22 | H34 | 179.1° | 60.0° |
| C20 | C21 | C22 | H35 | 58.9° | 60.1° |
| C36 | C35 | C34 | H60 | 119.8° | 120.0° |
| C36 | C35 | C34 | H61 | 119.8° | 120.0° |
| C36 | C35 | C34 | C33 | 177.9° | 180.0° |
| C36 | C35 | C34 | H58 | 57.8° | 60.0° |
| C36 | C35 | C34 | H59 | 62.0° | 60.0° |
| C36 | C35 | H60 | H61 | 120.7° | 120.0° |
| C35 | C36 | H62 | H63 | 119.8° | 120.1° |
| C35 | C36 | C37 | H64 | 171.3° | 60.0° |
| C35 | C36 | C37 | H65 | 51.7° | 60.0° |
| C20 | C19 | C18 | H28 | 119.6° | 120.0° |
| C20 | C19 | C18 | H29 | 119.6° | 120.0° |
| C20 | C19 | C18 | C17 | 86.3° | NaN° |
| C20 | C19 | C18 | H26 | 33.7° | 60.0° |
| C20 | C19 | C18 | H27 | 153.6° | 60.0° |
| C20 | C19 | H28 | H29 | 121.3° | 120.0° |
| C19 | C20 | H30 | H31 | 119.0° | 120.0° |
| C19 | C20 | C21 | H32 | 167.4° | 60.0° |
| C19 | C20 | C21 | H33 | 48.0° | 60.0° |
| C35 | C34 | C33 | H58 | 120.1° | 120.0° |
| C35 | C34 | C33 | H59 | 120.1° | 120.0° |
| C35 | C34 | C33 | C32 | 56.7° | 180.0° |
| C35 | C34 | C33 | H56 | 63.4° | 60.0° |
| C35 | C34 | C33 | H57 | 176.8° | 60.0° |
| C35 | C34 | H58 | H59 | 119.8° | 120.0° |
| C34 | C35 | H60 | H61 | 120.6° | 120.0° |
| C34 | C35 | C36 | H62 | 66.2° | 60.0° |
| C34 | C35 | C36 | H63 | 53.7° | 60.0° |
| C34 | C33 | C32 | H56 | 120.0° | 120.0° |
| C34 | C33 | C32 | H57 | 120.1° | 120.1° |
| C34 | C33 | C32 | C31 | 157.4° | 180.0° |
| C34 | C33 | C32 | H54 | 37.7° | 60.0° |
| C34 | C33 | C32 | H55 | 82.9° | 60.0° |
| C34 | C33 | H56 | H57 | 119.8° | 120.0° |
| C33 | C34 | H58 | H59 | 119.7° | 120.0° |
| C33 | C34 | C35 | H60 | 62.3° | 60.0° |
| C33 | C34 | C35 | H61 | 58.1° | 60.0° |
| C19 | C18 | C17 | H26 | 120.0° | 120.0° |
| C19 | C18 | C17 | H27 | 120.0° | 120.0° |
| C19 | C18 | C17 | C16 | 154.7° | 179.9° |
| C19 | C18 | C17 | H24 | 85.1° | 60.0° |
| C19 | C18 | C17 | H25 | 34.5° | 60.0° |
| C19 | C18 | H26 | H27 | 119.9° | 120.1° |
| C18 | C19 | H28 | H29 | 121.2° | 120.1° |
| C18 | C19 | C20 | H30 | 60.4° | 60.0° |
| C18 | C19 | C20 | H31 | 58.9° | 60.0° |
| C33 | C32 | C31 | H54 | 119.7° | 119.9° |
| C33 | C32 | C31 | H55 | 119.7° | 120.0° |
| C33 | C32 | C31 | C30 | 169.2° | 180.0° |
| C33 | C32 | C31 | H52 | 49.2° | 60.0° |
| C33 | C32 | C31 | H53 | 70.8° | 59.9° |
| C33 | C32 | H54 | H55 | 120.9° | 120.0° |
| C32 | C33 | H56 | H57 | 119.8° | 120.0° |
| C32 | C33 | C34 | H58 | 176.8° | 60.0° |
| C32 | C33 | C34 | H59 | 63.4° | 60.0° |
| C18 | C17 | C16 | H24 | 120.2° | 120.0° |
| C18 | C17 | C16 | H25 | 120.2° | 120.0° |
| C18 | C17 | C16 | C15 | 47.1° | 180.0° |
| C18 | C17 | C16 | H22 | 167.3° | 60.0° |
| C18 | C17 | C16 | H23 | 73.1° | 60.0° |
| C18 | C17 | H24 | H25 | 119.3° | 120.0° |
| C17 | C18 | H26 | H27 | 119.9° | 120.0° |
| C17 | C18 | C19 | H28 | 154.1° | 60.0° |
| C17 | C18 | C19 | H29 | 33.2° | 60.0° |
| C17 | C16 | C15 | H22 | 120.2° | 120.0° |
| C17 | C16 | C15 | H23 | 120.2° | 119.9° |
| C17 | C16 | C15 | C14 | 64.8° | 180.0° |
| C17 | C16 | C15 | H20 | 175.2° | 60.0° |
| C17 | C16 | C15 | H21 | 55.1° | 60.0° |
| C17 | C16 | H22 | H23 | 119.4° | 119.9° |
| C16 | C17 | H24 | H25 | 119.3° | 120.0° |
| C16 | C17 | C18 | H26 | 34.7° | 59.9° |
| C16 | C17 | C18 | H27 | 85.3° | 60.0° |
| C32 | C31 | C30 | H52 | 120.0° | 120.0° |
| C32 | C31 | C30 | H53 | 120.0° | 120.0° |
| C32 | C31 | C30 | C29 | 176.2° | 180.0° |
| C32 | C31 | C30 | H50 | 56.4° | 60.0° |
| C32 | C31 | C30 | H51 | 63.9° | 59.9° |
| C32 | C31 | H52 | H53 | 120.1° | 119.9° |
| C31 | C32 | H54 | H55 | 120.9° | 120.0° |
| C31 | C32 | C33 | H56 | 82.6° | 60.0° |
| C31 | C32 | C33 | H57 | 37.3° | 59.9° |
| C16 | C15 | C14 | H20 | 120.0° | 120.0° |
| C16 | C15 | C14 | H21 | 119.9° | 120.0° |
| C16 | C15 | C14 | C13 | 173.8° | 180.0° |
| C16 | C15 | C14 | H18 | 54.1° | 60.0° |
| C16 | C15 | C14 | H19 | 66.4° | 60.1° |
| C16 | C15 | H20 | H21 | 120.2° | 120.0° |
| C15 | C16 | H22 | H23 | 119.4° | 120.1° |
| C15 | C16 | C17 | H24 | 73.1° | 60.0° |
| C15 | C16 | C17 | H25 | 167.3° | 60.0° |
| C15 | C14 | C13 | H18 | 119.8° | 120.0° |
| C15 | C14 | C13 | H19 | 119.8° | 119.9° |
| C15 | C14 | C13 | C12 | 160.7° | 180.0° |
| C15 | C14 | C13 | H16 | 41.2° | 60.0° |
| C15 | C14 | C13 | H17 | 79.7° | 60.0° |
| C15 | C14 | H18 | H19 | 120.7° | 120.1° |
| C14 | C15 | H20 | H21 | 120.2° | 120.1° |
| C14 | C15 | C16 | H22 | 55.4° | 60.0° |
| C14 | C15 | C16 | H23 | 175.0° | 60.1° |
| C31 | C30 | C29 | H50 | 119.8° | 120.0° |
| C31 | C30 | C29 | H51 | 119.8° | 120.0° |
| C31 | C30 | C29 | C28 | 174.2° | 180.0° |
| C31 | C30 | C29 | H47 | 54.2° | 59.9° |
| C31 | C30 | C29 | H48 | 65.8° | 60.0° |
| C31 | C30 | H50 | H51 | 120.5° | 120.0° |
| C30 | C31 | H52 | H53 | 120.1° | 120.1° |
| C30 | C31 | C32 | H54 | 71.1° | 60.0° |
| C30 | C31 | C32 | H55 | 49.5° | 60.0° |
| C14 | C13 | C12 | H16 | 119.6° | 120.0° |
| C14 | C13 | C12 | H17 | 119.6° | 120.0° |
| C14 | C13 | C12 | C11 | 163.3° | 180.0° |
| C14 | C13 | C12 | H11 | 43.7° | 59.9° |
| C14 | C13 | C12 | H12 | 77.0° | 60.1° |
| C14 | C13 | H16 | H17 | 121.2° | 120.0° |
| C13 | C14 | H18 | H19 | 120.7° | 120.0° |
| C13 | C14 | C15 | H20 | 66.2° | 60.0° |
| C13 | C14 | C15 | H21 | 53.9° | 60.0° |
| C30 | C29 | C28 | H47 | 120.0° | 120.0° |
| C30 | C29 | C28 | H48 | 120.0° | 120.0° |
| C30 | C29 | C28 | O10 | 9.4° | 0.0° |
| C30 | C29 | C28 | O8 | 167.4° | 180.0° |
| C30 | C29 | H47 | H48 | 120.0° | 119.9° |
| C29 | C30 | H50 | H51 | 120.6° | 120.0° |
| C29 | C30 | C31 | H52 | 63.8° | 60.0° |
| C29 | C30 | C31 | H53 | 56.3° | 60.0° |
| C13 | C12 | C11 | H11 | 119.6° | 120.0° |
| C13 | C12 | C11 | H12 | 119.6° | 119.9° |
| C13 | C12 | C11 | C10 | 157.5° | 179.9° |
| C13 | C12 | C11 | H9 | 37.9° | 60.0° |
| C13 | C12 | C11 | H10 | 82.9° | 60.0° |
| C13 | C12 | H11 | H12 | 121.0° | 119.9° |
| C12 | C13 | H16 | H17 | 121.2° | 120.0° |
| C12 | C13 | C14 | H18 | 79.5° | 60.0° |
| C12 | C13 | C14 | H19 | 41.0° | 60.1° |
| C29 | C28 | O10 | O8 | 176.7° | 180.0° |
| C29 | C28 | O8 | C9 | 169.4° | 180.0° |
| C28 | C29 | H47 | H48 | 120.0° | 120.1° |
| C28 | C29 | C30 | H50 | 66.0° | 59.9° |
| C28 | C29 | C30 | H51 | 54.4° | 60.0° |
| C12 | C11 | C10 | H9 | 119.6° | 120.0° |
| C12 | C11 | C10 | H10 | 119.6° | 120.0° |
| C12 | C11 | C10 | O7 | 43.2° | 180.0° |
| C12 | C11 | C10 | O9 | 136.1° | 0.0° |
| C12 | C11 | H9 | H10 | 121.2° | 120.1° |
| C11 | C12 | H11 | H12 | 121.1° | 120.1° |
| C11 | C12 | C13 | H16 | 77.1° | 60.0° |
| C11 | C12 | C13 | H17 | 43.7° | 60.0° |
| O10 | C28 | O8 | C9 | 13.8° | 0.0° |
| O10 | C28 | C29 | H47 | 129.5° | 120.0° |
| O10 | C28 | C29 | H48 | 110.6° | 119.9° |
| C28 | O8 | C9 | C8 | 88.1° | 180.0° |
| C28 | O8 | C9 | H7 | 31.6° | 59.9° |
| C28 | O8 | C9 | H8 | 152.1° | 60.0° |
| O8 | C28 | C29 | H47 | 47.3° | 60.0° |
| O8 | C28 | C29 | H48 | 72.6° | 60.0° |
| C11 | C10 | O7 | O9 | 179.2° | 180.0° |
| C11 | C10 | O7 | C8 | 168.2° | 180.0° |
| C10 | C11 | H9 | H10 | 121.2° | 120.0° |
| C10 | C11 | C12 | H11 | 82.9° | 60.1° |
| C10 | C11 | C12 | H12 | 37.8° | 60.0° |
| O8 | C9 | C8 | O7 | 61.6° | 65.0° |
| O8 | C9 | C8 | H7 | 119.8° | 120.0° |
| O8 | C9 | C8 | H8 | 119.7° | 120.0° |
| O8 | C9 | C8 | C7 | 179.9° | 55.0° |
| O8 | C9 | C8 | H6 | 60.7° | 175.0° |
| O8 | C9 | H7 | H8 | 120.8° | 119.9° |
| C10 | O7 | C8 | C9 | 168.6° | 150.0° |
| C10 | O7 | C8 | C7 | 73.6° | 90.0° |
| C10 | O7 | C8 | H6 | 47.4° | 30.0° |
| O7 | C10 | C11 | H9 | 162.8° | 60.0° |
| O7 | C10 | C11 | H10 | 76.4° | 59.9° |
| C8 | O7 | C10 | O9 | 11.1° | 0.0° |
| O7 | C8 | C9 | C7 | 118.3° | 120.0° |
| O7 | C8 | C9 | H6 | 122.3° | 120.0° |
| O7 | C8 | C7 | H6 | 122.0° | 120.0° |
| O7 | C8 | C7 | O1 | 174.4° | 65.0° |
| O7 | C8 | C9 | H7 | 58.1° | 55.0° |
| O7 | C8 | C9 | H8 | 178.6° | 175.0° |
| O7 | C8 | C7 | H83 | 54.9° | 175.0° |
| O7 | C8 | C7 | H84 | 66.2° | 55.0° |
| O9 | C10 | C11 | H9 | 16.5° | 120.1° |
| O9 | C10 | C11 | H10 | 104.3° | 120.0° |
| C9 | C8 | C7 | H6 | 119.3° | 120.0° |
| C9 | C8 | C7 | O1 | 67.0° | 55.0° |
| C8 | C9 | H7 | H8 | 120.8° | 120.0° |
| C9 | C8 | C7 | H83 | 173.6° | 65.1° |
| C9 | C8 | C7 | H84 | 52.5° | 175.0° |
| C8 | C7 | O1 | H83 | 119.5° | 120.0° |
| C8 | C7 | O1 | H84 | 119.4° | 120.0° |
| C8 | C7 | O1 | C1 | 169.8° | 180.0° |
| C7 | C8 | C9 | H7 | 60.2° | 175.0° |
| C7 | C8 | C9 | H8 | 60.3° | 65.0° |
| C8 | C7 | H83 | H84 | 121.6° | 119.9° |
| C7 | O1 | C1 | O6 | 63.6° | 65.0° |
| C7 | O1 | C1 | C2 | 177.9° | 175.0° |
| O1 | C7 | C8 | H6 | 52.3° | 175.0° |
| C7 | O1 | C1 | H15 | 57.9° | 55.1° |
| O1 | C7 | H83 | H84 | 121.6° | 120.1° |
| O1 | C1 | O6 | C2 | 116.9° | 120.0° |
| O1 | C1 | O6 | H15 | 121.6° | 120.1° |
| O1 | C1 | C2 | H15 | 121.2° | 120.0° |
| O1 | C1 | O6 | C5 | 177.8° | 178.9° |
| O1 | C1 | C2 | O2 | 65.8° | 62.4° |
| O1 | C1 | C2 | C3 | 174.6° | 177.6° |
| O1 | C1 | C2 | H1 | 55.6° | 57.7° |
| C1 | O1 | C7 | H83 | 50.4° | 60.0° |
| C1 | O1 | C7 | H84 | 70.7° | 60.1° |
| O6 | C1 | C2 | H15 | 122.5° | 120.0° |
| O6 | C1 | C2 | O2 | 177.9° | 177.5° |
| O6 | C1 | C2 | C3 | 58.3° | 57.6° |
| C1 | O6 | C5 | C6 | 176.8° | 178.9° |
| C1 | O6 | C5 | C4 | 63.3° | 61.1° |
| O6 | C1 | C2 | H1 | 60.8° | 62.3° |
| C1 | O6 | C5 | H3 | 56.9° | 58.9° |
| C2 | C1 | O6 | C5 | 65.2° | 61.1° |
| C1 | C2 | O2 | C3 | 118.7° | 119.8° |
| C1 | C2 | O2 | H1 | 120.4° | 120.1° |
| C1 | C2 | C3 | H1 | 119.1° | 119.9° |
| C1 | C2 | C3 | C4 | 53.2° | 56.9° |
| C1 | C2 | C3 | O3 | 173.0° | 176.8° |
| C1 | C2 | O2 | H14 | 180.0° | 60.3° |
| C1 | C2 | C3 | H49 | 66.1° | 62.9° |
| O6 | C5 | C6 | C4 | 119.3° | 120.0° |
| O6 | C5 | C6 | H3 | 121.0° | 120.0° |
| O6 | C5 | C4 | H3 | 121.4° | 120.0° |
| O6 | C5 | C6 | O5 | 154.7° | 65.0° |
| O6 | C5 | C4 | C3 | 56.3° | 57.6° |
| O6 | C5 | C4 | O4 | 175.7° | 177.5° |
| O6 | C5 | C4 | H2 | 63.2° | 62.3° |
| O6 | C5 | C6 | H4 | 85.4° | 175.0° |
| O6 | C5 | C6 | H5 | 34.7° | 54.9° |
| C5 | O6 | C1 | H15 | 56.2° | 58.8° |
| O2 | C2 | C3 | H1 | 122.0° | 120.2° |
| O2 | C2 | C3 | C4 | 172.1° | 176.9° |
| O2 | C2 | C3 | O3 | 68.1° | 63.2° |
| O2 | C2 | C1 | H15 | 55.4° | 57.6° |
| O2 | C2 | C3 | H49 | 52.8° | 57.1° |
| C2 | C3 | C4 | C5 | 53.0° | 57.0° |
| C2 | C3 | C4 | O3 | 119.2° | 119.9° |
| C2 | C3 | C4 | H49 | 119.4° | 119.8° |
| C2 | C3 | O3 | H49 | 119.8° | 120.2° |
| C2 | C3 | C4 | O4 | 172.5° | 176.9° |
| C2 | C3 | C4 | H2 | 66.5° | 63.0° |
| C3 | C2 | O2 | H14 | 61.3° | 180.0° |
| C3 | C2 | C1 | H15 | 64.2° | 62.4° |
| C2 | C3 | O3 | H85 | 180.0° | 60.0° |
| C6 | C5 | C4 | H3 | 119.7° | 120.0° |
| C5 | C6 | O5 | H4 | 120.0° | 120.0° |
| C5 | C6 | O5 | H5 | 120.0° | 120.0° |
| C6 | C5 | C4 | C3 | 175.2° | 177.6° |
| C6 | C5 | C4 | O4 | 65.4° | 62.5° |
| C6 | C5 | C4 | H2 | 55.7° | 57.6° |
| C5 | C6 | H4 | H5 | 120.1° | 120.0° |
| C5 | C6 | O5 | H86 | 180.0° | 180.0° |
| C4 | C5 | C6 | O5 | 86.1° | 175.0° |
| C5 | C4 | C3 | O4 | 119.5° | 119.9° |
| C5 | C4 | C3 | H2 | 119.4° | 119.9° |
| C5 | C4 | C3 | O3 | 172.1° | 176.8° |
| C5 | C4 | O4 | H2 | 120.0° | 120.1° |
| C4 | C5 | C6 | H4 | 33.9° | 55.0° |
| C4 | C5 | C6 | H5 | 154.0° | 65.0° |
| C5 | C4 | O4 | H13 | 180.0° | 179.8° |
| C5 | C4 | C3 | H49 | 66.4° | 62.9° |
| O5 | C6 | C5 | H3 | 33.6° | 55.0° |
| O5 | C6 | H4 | H5 | 120.0° | 120.0° |
| C4 | C3 | O3 | H49 | 120.3° | 120.2° |
| C3 | C4 | O4 | H2 | 119.9° | 120.2° |
| C4 | C3 | C2 | H1 | 65.9° | 62.9° |
| C3 | C4 | C5 | H3 | 65.1° | 62.4° |
| C3 | C4 | O4 | H13 | 59.8° | 60.1° |
| C4 | C3 | O3 | H85 | 60.1° | 179.6° |
| O3 | C3 | C4 | O4 | 68.3° | 63.3° |
| O3 | C3 | C2 | H1 | 53.8° | 56.9° |
| O3 | C3 | C4 | H2 | 52.7° | 56.9° |
| O4 | C4 | C5 | H3 | 54.3° | 57.5° |
| O4 | C4 | C3 | H49 | 53.1° | 57.1° |
| H1 | C2 | O2 | H14 | 59.6° | 59.8° |
| H1 | C2 | C1 | H15 | 176.8° | 177.7° |
| H1 | C2 | C3 | H49 | 174.7° | 177.2° |
| H2 | C4 | C5 | H3 | 175.4° | 177.6° |
| H2 | C4 | O4 | H13 | 60.0° | 60.0° |
| H2 | C4 | C3 | H49 | 174.1° | 177.2° |
| H3 | C5 | C6 | H4 | 153.6° | 65.0° |
| H3 | C5 | C6 | H5 | 86.3° | 174.9° |
| H4 | C6 | O5 | H86 | 60.0° | 60.0° |
| H5 | C6 | O5 | H86 | 60.0° | 60.0° |
| H6 | C8 | C9 | H7 | 179.5° | 65.0° |
| H6 | C8 | C9 | H8 | 59.0° | 55.0° |
| H6 | C8 | C7 | H83 | 67.1° | 55.0° |
| H6 | C8 | C7 | H84 | 171.8° | 65.0° |
| H9 | C11 | C12 | H11 | 157.5° | 180.0° |
| H9 | C11 | C12 | H12 | 81.8° | 59.9° |
| H10 | C11 | C12 | H11 | 36.7° | 60.0° |
| H10 | C11 | C12 | H12 | 157.4° | 179.9° |
| H11 | C12 | C13 | H16 | 163.3° | 180.0° |
| H11 | C12 | C13 | H17 | 75.9° | 60.0° |
| H12 | C12 | C13 | H16 | 42.6° | 60.0° |
| H12 | C12 | C13 | H17 | 163.4° | 180.0° |
| H16 | C13 | C14 | H18 | 160.9° | 180.0° |
| H16 | C13 | C14 | H19 | 78.6° | 59.9° |
| H17 | C13 | C14 | H18 | 40.1° | 60.0° |
| H17 | C13 | C14 | H19 | 160.5° | 180.0° |
| H18 | C14 | C15 | H20 | 174.0° | 180.0° |
| H18 | C14 | C15 | H21 | 65.9° | 59.9° |
| H19 | C14 | C15 | H20 | 53.5° | 59.9° |
| H19 | C14 | C15 | H21 | 173.6° | 179.9° |
| H20 | C15 | C16 | H22 | 64.6° | 180.0° |
| H20 | C15 | C16 | H23 | 55.0° | 59.9° |
| H21 | C15 | C16 | H22 | 175.3° | 60.0° |
| H21 | C15 | C16 | H23 | 65.1° | 179.9° |
| H22 | C16 | C17 | H24 | 47.1° | 180.0° |
| H22 | C16 | C17 | H25 | 72.5° | 60.0° |
| H23 | C16 | C17 | H24 | 166.7° | 60.0° |
| H23 | C16 | C17 | H25 | 47.1° | 180.0° |
| H24 | C17 | C18 | H26 | 154.9° | 180.0° |
| H24 | C17 | C18 | H27 | 34.9° | 60.0° |
| H25 | C17 | C18 | H26 | 85.5° | 60.0° |
| H25 | C17 | C18 | H27 | 154.5° | 180.0° |
| H26 | C18 | C19 | H28 | 85.9° | 180.0° |
| H26 | C18 | C19 | H29 | 153.3° | 60.0° |
| H27 | C18 | C19 | H28 | 34.1° | 60.0° |
| H27 | C18 | C19 | H29 | 86.8° | 180.0° |
| H28 | C19 | C20 | H30 | 180.0° | 180.0° |
| H28 | C19 | C20 | H31 | 60.7° | 60.0° |
| H29 | C19 | C20 | H30 | 59.1° | 60.0° |
| H29 | C19 | C20 | H31 | 178.5° | 180.0° |
| H30 | C20 | C21 | H32 | 72.3° | 180.0° |
| H30 | C20 | C21 | H33 | 168.3° | 60.0° |
| H31 | C20 | C21 | H32 | 47.0° | 60.0° |
| H31 | C20 | C21 | H33 | 72.3° | 180.0° |
| H32 | C21 | C22 | H34 | 60.6° | 180.0° |
| H32 | C21 | C22 | H35 | 179.2° | 60.0° |
| H33 | C21 | C22 | H34 | 58.8° | 60.0° |
| H33 | C21 | C22 | H35 | 61.4° | 180.0° |
| H34 | C22 | C23 | H36 | 156.1° | 180.0° |
| H34 | C22 | C23 | H37 | 84.0° | 59.9° |
| H35 | C22 | C23 | H36 | 35.9° | 59.9° |
| H35 | C22 | C23 | H37 | 155.8° | 180.0° |
| H36 | C23 | C24 | H38 | 83.9° | 180.0° |
| H36 | C23 | C24 | H39 | 36.6° | 60.0° |
| H37 | C23 | C24 | H38 | 156.3° | 59.9° |
| H37 | C23 | C24 | H39 | 83.3° | 180.0° |
| H38 | C24 | C25 | H40 | 165.0° | 180.0° |
| H38 | C24 | C25 | H41 | 75.3° | 60.0° |
| H39 | C24 | C25 | H40 | 44.6° | 60.0° |
| H39 | C24 | C25 | H41 | 164.3° | 180.0° |
| H40 | C25 | C26 | H42 | 78.1° | NaN° |
| H40 | C25 | C26 | H43 | 41.7° | 59.9° |
| H41 | C25 | C26 | H42 | 162.2° | 59.9° |
| H41 | C25 | C26 | H43 | 77.9° | 180.0° |
| H42 | C26 | C27 | H44 | 60.0° | 180.0° |
| H42 | C26 | C27 | H45 | 60.0° | 59.9° |
| H42 | C26 | C27 | H46 | 179.9° | 60.0° |
| H43 | C26 | C27 | H44 | 59.9° | 59.9° |
| H43 | C26 | C27 | H45 | 179.9° | 180.0° |
| H43 | C26 | C27 | H46 | 60.0° | 60.1° |
| H44 | C27 | H45 | H46 | 120.0° | 120.0° |
| H47 | C29 | C30 | H50 | 174.0° | 180.0° |
| H47 | C29 | C30 | H51 | 65.6° | 60.1° |
| H48 | C29 | C30 | H50 | 54.0° | 60.1° |
| H48 | C29 | C30 | H51 | 174.4° | 180.0° |
| H49 | C3 | O3 | H85 | 60.2° | 60.2° |
| H50 | C30 | C31 | H52 | 176.4° | 180.0° |
| H50 | C30 | C31 | H53 | 63.5° | 60.0° |
| H51 | C30 | C31 | H52 | 56.0° | 60.0° |
| H51 | C30 | C31 | H53 | 176.1° | 179.9° |
| H52 | C31 | C32 | H54 | 168.9° | 180.0° |
| H52 | C31 | C32 | H55 | 70.5° | 60.0° |
| H53 | C31 | C32 | H54 | 48.9° | 60.0° |
| H53 | C31 | C32 | H55 | 169.5° | 180.0° |
| H54 | C32 | C33 | H56 | 157.7° | 180.0° |
| H54 | C32 | C33 | H57 | 82.4° | 60.0° |
| H55 | C32 | C33 | H56 | 37.2° | 60.0° |
| H55 | C32 | C33 | H57 | 157.0° | 180.0° |
| H56 | C33 | C34 | H58 | 56.7° | 180.0° |
| H56 | C33 | C34 | H59 | 176.5° | 60.0° |
| H57 | C33 | C34 | H58 | 63.1° | 60.1° |
| H57 | C33 | C34 | H59 | 56.7° | 180.0° |
| H58 | C34 | C35 | H60 | 177.6° | 180.0° |
| H58 | C34 | C35 | H61 | 62.0° | 60.0° |
| H59 | C34 | C35 | H60 | 57.8° | 60.0° |
| H59 | C34 | C35 | H61 | 178.2° | 180.0° |
| H60 | C35 | C36 | H62 | 174.0° | 180.0° |
| H60 | C35 | C36 | H63 | 66.1° | 60.0° |
| H61 | C35 | C36 | H62 | 53.6° | 60.0° |
| H61 | C35 | C36 | H63 | 173.4° | 180.0° |
| H62 | C36 | C37 | H64 | 68.7° | 180.0° |
| H62 | C36 | C37 | H65 | 171.7° | 60.0° |
| H63 | C36 | C37 | H64 | 51.2° | 60.0° |
| H63 | C36 | C37 | H65 | 68.4° | 180.0° |
| H64 | C37 | C38 | H66 | 159.5° | NaN° |
| H64 | C37 | C38 | H67 | 80.3° | 60.0° |
| H65 | C37 | C38 | H66 | 40.0° | 60.0° |
| H65 | C37 | C38 | H67 | 160.1° | 180.0° |
| H66 | C38 | C39 | H68 | 71.1° | 180.0° |
| H66 | C38 | C39 | H69 | 48.6° | 60.0° |
| H67 | C38 | C39 | H68 | 168.8° | 60.0° |
| H67 | C38 | C39 | H69 | 71.6° | 180.0° |
| H68 | C39 | C40 | H70 | 71.1° | 180.0° |
| H68 | C39 | C40 | H71 | 49.1° | 60.0° |
| H69 | C39 | C40 | H70 | 169.3° | 60.0° |
| H69 | C39 | C40 | H71 | 70.6° | 180.0° |
| H70 | C40 | C41 | H72 | 178.5° | 180.0° |
| H70 | C40 | C41 | H73 | 58.9° | 60.0° |
| H71 | C40 | C41 | H72 | 61.4° | 60.0° |
| H71 | C40 | C41 | H73 | 179.1° | 180.0° |
| H72 | C41 | C42 | H74 | 171.9° | 180.0° |
| H72 | C41 | C42 | H75 | 67.8° | 60.0° |
| H73 | C41 | C42 | H74 | 52.3° | 60.0° |
| H73 | C41 | C42 | H75 | 172.6° | 180.0° |
| H74 | C42 | C43 | H76 | 172.3° | 180.0° |
| H74 | C42 | C43 | H77 | 52.4° | 59.9° |
| H75 | C42 | C43 | H76 | 67.4° | 60.0° |
| H75 | C42 | C43 | H77 | 172.7° | 180.0° |
| H76 | C43 | C44 | H78 | 169.6° | 180.0° |
| H76 | C43 | C44 | H79 | 70.3° | 60.0° |
| H77 | C43 | C44 | H78 | 49.7° | 60.0° |
| H77 | C43 | C44 | H79 | 169.8° | 180.0° |
| H78 | C44 | C45 | H80 | 60.0° | 59.9° |
| H78 | C44 | C45 | H81 | 60.0° | 60.0° |
| H78 | C44 | C45 | H82 | 180.0° | 180.0° |
| H79 | C44 | C45 | H80 | 60.0° | 180.0° |
| H79 | C44 | C45 | H81 | 180.0° | 60.0° |
| H79 | C44 | C45 | H82 | 60.0° | 60.0° |
| H80 | C45 | H81 | H82 | 120.0° | 120.0° |
