5TR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C60 | C57 | sing | 1.51Å | 1.52Å | |
| C57 | C59 | sing | 1.51Å | 1.52Å | |
| C57 | C54 | doub | 1.31Å | 1.35Å | |
| C51 | C54 | sing | 1.51Å | 1.55Å | |
| C51 | C47 | sing | 1.53Å | 1.56Å | |
| C53 | C44 | sing | 1.51Å | 1.55Å | |
| C47 | C44 | sing | 1.51Å | 1.57Å | |
| C44 | C42 | doub | 1.31Å | 1.35Å | |
| C42 | C35 | sing | 1.51Å | 1.55Å | |
| C35 | C30 | sing | 1.53Å | 1.56Å | |
| C48 | C32 | sing | 1.51Å | 1.54Å | |
| C32 | C30 | sing | 1.51Å | 1.57Å | |
| C32 | C33 | doub | 1.31Å | 1.35Å | |
| C21 | C33 | sing | 1.51Å | 1.54Å | |
| C21 | C16 | sing | 1.53Å | 1.57Å | |
| C16 | C22 | sing | 1.51Å | 1.55Å | |
| C22 | C41 | sing | 1.51Å | 1.52Å | |
| C22 | C28 | doub | 1.31Å | 1.38Å | |
| C28 | C13 | sing | 1.51Å | 1.56Å | |
| C38 | C15 | sing | 1.51Å | 1.56Å | |
| C13 | C09 | sing | 1.53Å | 1.60Å | |
| C39 | C18 | sing | 1.51Å | 1.53Å | |
| C09 | C18 | sing | 1.51Å | 1.55Å | |
| C15 | C24 | doub | 1.31Å | 1.36Å | |
| C15 | C06 | sing | 1.51Å | 1.58Å | |
| C24 | C12 | sing | 1.51Å | 1.56Å | |
| C06 | C10 | sing | 1.53Å | 1.57Å | |
| C18 | C25 | doub | 1.31Å | 1.37Å | |
| C12 | C08 | sing | 1.53Å | 1.55Å | |
| C25 | C11 | sing | 1.51Å | 1.56Å | |
| C10 | C23 | sing | 1.51Å | 1.57Å | |
| C08 | C20 | sing | 1.51Å | 1.56Å | |
| C23 | C14 | doub | 1.31Å | 1.36Å | |
| C11 | C07 | sing | 1.53Å | 1.56Å | |
| C14 | C07 | sing | 1.51Å | 1.56Å | |
| C14 | C37 | sing | 1.51Å | 1.55Å | |
| C20 | C27 | doub | 1.31Å | 1.37Å | |
| C20 | C40 | sing | 1.51Å | 1.54Å | |
| C27 | C19 | sing | 1.51Å | 1.56Å | |
| C43 | C26 | sing | 1.51Å | 1.53Å | |
| C19 | C17 | sing | 1.53Å | 1.57Å | |
| C26 | C17 | sing | 1.51Å | 1.56Å | |
| C26 | C34 | doub | 1.31Å | 1.35Å | |
| C29 | C34 | sing | 1.51Å | 1.55Å | |
| C29 | C31 | sing | 1.53Å | 1.58Å | |
| C31 | C36 | sing | 1.51Å | 1.58Å | |
| C36 | C46 | doub | 1.31Å | 1.36Å | |
| C36 | C50 | sing | 1.51Å | 1.56Å | |
| C46 | C45 | sing | 1.51Å | 1.55Å | |
| C45 | C49 | sing | 1.53Å | 1.55Å | |
| C49 | C52 | sing | 1.51Å | 1.54Å | |
| C52 | C56 | doub | 1.31Å | 1.35Å | |
| C52 | C55 | sing | 1.51Å | 1.56Å | |
| C56 | C58 | sing | 1.51Å | 1.56Å | |
| C58 | O02 | sing | 1.43Å | 1.41Å | |
| O02 | P01 | sing | 1.61Å | 1.67Å | |
| O04 | P01 | doub | 1.48Å | 1.51Å | |
| P01 | O05 | sing | 1.61Å | 1.52Å | |
| P01 | O03 | sing | 1.61Å | 1.50Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| O05 | H2 | sing | 0.97Å | 0.95Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.08Å | 1.08Å | |
| C34 | H39 | sing | 1.08Å | 1.08Å | |
| C35 | H40 | sing | 1.09Å | 1.10Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| C38 | H45 | sing | 1.09Å | 1.10Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| C39 | H48 | sing | 1.09Å | 1.10Å | |
| C39 | H49 | sing | 1.09Å | 1.10Å | |
| C39 | H50 | sing | 1.09Å | 1.10Å | |
| C40 | H51 | sing | 1.09Å | 1.10Å | |
| C40 | H52 | sing | 1.09Å | 1.10Å | |
| C40 | H53 | sing | 1.09Å | 1.10Å | |
| C41 | H54 | sing | 1.09Å | 1.10Å | |
| C41 | H55 | sing | 1.09Å | 1.10Å | |
| C41 | H56 | sing | 1.09Å | 1.10Å | |
| C42 | H57 | sing | 1.08Å | 1.08Å | |
| C43 | H58 | sing | 1.09Å | 1.10Å | |
| C43 | H59 | sing | 1.09Å | 1.10Å | |
| C43 | H60 | sing | 1.09Å | 1.10Å | |
| C45 | H61 | sing | 1.09Å | 1.10Å | |
| C45 | H62 | sing | 1.09Å | 1.10Å | |
| C46 | H63 | sing | 1.08Å | 1.08Å | |
| C47 | H64 | sing | 1.09Å | 1.10Å | |
| C47 | H65 | sing | 1.09Å | 1.10Å | |
| C48 | H66 | sing | 1.09Å | 1.10Å | |
| C48 | H67 | sing | 1.09Å | 1.10Å | |
| C48 | H68 | sing | 1.09Å | 1.10Å | |
| C49 | H69 | sing | 1.09Å | 1.10Å | |
| C49 | H70 | sing | 1.09Å | 1.10Å | |
| C50 | H71 | sing | 1.09Å | 1.10Å | |
| C50 | H72 | sing | 1.09Å | 1.10Å | |
| C50 | H73 | sing | 1.09Å | 1.10Å | |
| C51 | H74 | sing | 1.09Å | 1.10Å | |
| C51 | H75 | sing | 1.09Å | 1.10Å | |
| C53 | H76 | sing | 1.09Å | 1.10Å | |
| C53 | H77 | sing | 1.09Å | 1.10Å | |
| C53 | H78 | sing | 1.09Å | 1.10Å | |
| C54 | H79 | sing | 1.08Å | 1.08Å | |
| C55 | H80 | sing | 1.09Å | 1.10Å | |
| C55 | H81 | sing | 1.09Å | 1.10Å | |
| C55 | H82 | sing | 1.09Å | 1.10Å | |
| C56 | H83 | sing | 1.08Å | 1.08Å | |
| C58 | H84 | sing | 1.09Å | 1.10Å | |
| C58 | H85 | sing | 1.09Å | 1.10Å | |
| C59 | H86 | sing | 1.09Å | 1.10Å | |
| C59 | H87 | sing | 1.09Å | 1.10Å | |
| C59 | H88 | sing | 1.09Å | 1.10Å | |
| C60 | H89 | sing | 1.09Å | 1.10Å | |
| C60 | H90 | sing | 1.09Å | 1.10Å | |
| C60 | H91 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C60 | C57 | C59 | 119.4° | 120.0° |
| C60 | C57 | C54 | 120.8° | 120.0° |
| C57 | C60 | H89 | 109.5° | 109.5° |
| C57 | C60 | H90 | 109.5° | 109.5° |
| C57 | C60 | H91 | 109.5° | 109.5° |
| C59 | C57 | C54 | 119.8° | 120.0° |
| C57 | C59 | H86 | 109.5° | 109.5° |
| C57 | C59 | H87 | 109.5° | 109.5° |
| C57 | C59 | H88 | 109.5° | 109.5° |
| C57 | C54 | C51 | 120.9° | 120.0° |
| C57 | C54 | H79 | 119.6° | 120.0° |
| C54 | C51 | C47 | 108.8° | 109.5° |
| C54 | C51 | H74 | 109.6° | 109.5° |
| C54 | C51 | H75 | 109.7° | 109.4° |
| C51 | C54 | H79 | 119.6° | 120.0° |
| C51 | C47 | C44 | 110.6° | 109.5° |
| C51 | C47 | H64 | 109.2° | 109.5° |
| C51 | C47 | H65 | 109.2° | 109.4° |
| C47 | C51 | H74 | 109.6° | 109.5° |
| C47 | C51 | H75 | 109.6° | 109.5° |
| C53 | C44 | C47 | 120.3° | 120.0° |
| C53 | C44 | C42 | 120.7° | 120.0° |
| C44 | C53 | H76 | 109.5° | 109.5° |
| C44 | C53 | H77 | 109.4° | 109.4° |
| C44 | C53 | H78 | 109.5° | 109.5° |
| C47 | C44 | C42 | 119.0° | 120.0° |
| C44 | C47 | H64 | 109.2° | 109.4° |
| C44 | C47 | H65 | 109.2° | 109.5° |
| C44 | C42 | C35 | 121.0° | 120.0° |
| C44 | C42 | H57 | 119.5° | 120.1° |
| C42 | C35 | C30 | 108.3° | 109.4° |
| C42 | C35 | H40 | 109.8° | 109.5° |
| C42 | C35 | H41 | 109.7° | 109.5° |
| C35 | C42 | H57 | 119.5° | 120.0° |
| C35 | C30 | C32 | 110.0° | 109.5° |
| C35 | C30 | H34 | 109.3° | 109.5° |
| C35 | C30 | H35 | 109.3° | 109.5° |
| C30 | C35 | H40 | 109.7° | 109.4° |
| C30 | C35 | H41 | 109.8° | 109.5° |
| C48 | C32 | C30 | 120.2° | 120.0° |
| C48 | C32 | C33 | 120.3° | 120.0° |
| C32 | C48 | H66 | 109.5° | 109.5° |
| C32 | C48 | H67 | 109.5° | 109.5° |
| C32 | C48 | H68 | 109.5° | 109.5° |
| C30 | C32 | C33 | 119.5° | 120.0° |
| C32 | C30 | H34 | 109.3° | 109.5° |
| C32 | C30 | H35 | 109.4° | 109.5° |
| C32 | C33 | C21 | 120.5° | 120.0° |
| C32 | C33 | H38 | 119.7° | 120.0° |
| C33 | C21 | C16 | 109.8° | 109.4° |
| C33 | C21 | H25 | 109.4° | 109.5° |
| C33 | C21 | H26 | 109.4° | 109.5° |
| C21 | C33 | H38 | 119.8° | 120.0° |
| C21 | C16 | C22 | 110.3° | 109.4° |
| C21 | C16 | H19 | 109.3° | 109.5° |
| C21 | C16 | H20 | 109.3° | 109.5° |
| C16 | C21 | H25 | 109.4° | 109.4° |
| C16 | C21 | H26 | 109.4° | 109.5° |
| C16 | C22 | C41 | 119.7° | 120.0° |
| C16 | C22 | C28 | 120.2° | 120.0° |
| C22 | C16 | H19 | 109.3° | 109.5° |
| C22 | C16 | H20 | 109.3° | 109.4° |
| C41 | C22 | C28 | 120.1° | 120.0° |
| C22 | C41 | H54 | 109.5° | 109.5° |
| C22 | C41 | H55 | 109.4° | 109.5° |
| C22 | C41 | H56 | 109.5° | 109.4° |
| C22 | C28 | C13 | 120.6° | 120.0° |
| C22 | C28 | H31 | 119.7° | 120.0° |
| C28 | C13 | C09 | 109.2° | 109.5° |
| C28 | C13 | H17 | 109.5° | 109.5° |
| C28 | C13 | H18 | 109.5° | 109.5° |
| C13 | C28 | H31 | 119.7° | 120.0° |
| C38 | C15 | C24 | 119.7° | 120.0° |
| C38 | C15 | C06 | 119.8° | 120.0° |
| C15 | C38 | H45 | 109.5° | 109.5° |
| C15 | C38 | H46 | 109.5° | 109.4° |
| C15 | C38 | H47 | 109.5° | 109.4° |
| C13 | C09 | C18 | 110.1° | 109.5° |
| C13 | C09 | H9 | 109.3° | 109.4° |
| C13 | C09 | H10 | 109.3° | 109.5° |
| C09 | C13 | H17 | 109.5° | 109.5° |
| C09 | C13 | H18 | 109.5° | 109.5° |
| C39 | C18 | C09 | 120.2° | 120.0° |
| C39 | C18 | C25 | 119.9° | 120.0° |
| C18 | C39 | H48 | 109.5° | 109.5° |
| C18 | C39 | H49 | 109.5° | 109.4° |
| C18 | C39 | H50 | 109.4° | 109.4° |
| C09 | C18 | C25 | 119.9° | 120.0° |
| C18 | C09 | H9 | 109.3° | 109.4° |
| C18 | C09 | H10 | 109.3° | 109.5° |
| C24 | C15 | C06 | 120.6° | 120.0° |
| C15 | C24 | C12 | 120.8° | 120.0° |
| C15 | C24 | H28 | 119.6° | 120.0° |
| C15 | C06 | C10 | 109.8° | 109.4° |
| C15 | C06 | H3 | 109.4° | 109.4° |
| C15 | C06 | H4 | 109.4° | 109.5° |
| C24 | C12 | C08 | 109.8° | 109.5° |
| C24 | C12 | H15 | 109.4° | 109.5° |
| C24 | C12 | H16 | 109.4° | 109.4° |
| C12 | C24 | H28 | 119.6° | 120.0° |
| C06 | C10 | C23 | 110.1° | 109.4° |
| C10 | C06 | H3 | 109.4° | 109.5° |
| C10 | C06 | H4 | 109.4° | 109.5° |
| C06 | C10 | H11 | 109.3° | 109.5° |
| C06 | C10 | H12 | 109.3° | 109.4° |
| C18 | C25 | C11 | 120.0° | 120.0° |
| C18 | C25 | H29 | 120.0° | 120.0° |
| C12 | C08 | C20 | 109.6° | 109.4° |
| C12 | C08 | H7 | 109.4° | 109.5° |
| C12 | C08 | H8 | 109.4° | 109.5° |
| C08 | C12 | H15 | 109.4° | 109.5° |
| C08 | C12 | H16 | 109.4° | 109.5° |
| C25 | C11 | C07 | 109.3° | 109.5° |
| C25 | C11 | H13 | 109.5° | 109.5° |
| C25 | C11 | H14 | 109.5° | 109.4° |
| C11 | C25 | H29 | 120.0° | 120.0° |
| C10 | C23 | C14 | 120.7° | 120.0° |
| C23 | C10 | H11 | 109.3° | 109.5° |
| C23 | C10 | H12 | 109.3° | 109.5° |
| C10 | C23 | H27 | 119.7° | 120.1° |
| C08 | C20 | C27 | 120.1° | 120.0° |
| C08 | C20 | C40 | 119.9° | 120.0° |
| C20 | C08 | H7 | 109.4° | 109.5° |
| C20 | C08 | H8 | 109.4° | 109.5° |
| C23 | C14 | C07 | 119.7° | 120.0° |
| C23 | C14 | C37 | 120.4° | 120.0° |
| C14 | C23 | H27 | 119.7° | 120.0° |
| C11 | C07 | C14 | 109.5° | 109.4° |
| C11 | C07 | H5 | 109.4° | 109.4° |
| C11 | C07 | H6 | 109.5° | 109.5° |
| C07 | C11 | H13 | 109.5° | 109.5° |
| C07 | C11 | H14 | 109.5° | 109.4° |
| C07 | C14 | C37 | 119.9° | 120.0° |
| C14 | C07 | H5 | 109.5° | 109.4° |
| C14 | C07 | H6 | 109.5° | 109.5° |
| C14 | C37 | H42 | 109.5° | 109.5° |
| C14 | C37 | H43 | 109.5° | 109.5° |
| C14 | C37 | H44 | 109.4° | 109.4° |
| C27 | C20 | C40 | 120.0° | 120.0° |
| C20 | C27 | C19 | 120.2° | 120.0° |
| C20 | C27 | H30 | 119.9° | 120.0° |
| C20 | C40 | H51 | 109.5° | 109.5° |
| C20 | C40 | H52 | 109.4° | 109.5° |
| C20 | C40 | H53 | 109.5° | 109.5° |
| C27 | C19 | C17 | 110.0° | 109.5° |
| C27 | C19 | H23 | 109.4° | 109.5° |
| C27 | C19 | H24 | 109.3° | 109.5° |
| C19 | C27 | H30 | 119.9° | 120.0° |
| C43 | C26 | C17 | 119.9° | 120.0° |
| C43 | C26 | C34 | 120.0° | 120.0° |
| C26 | C43 | H58 | 109.5° | 109.4° |
| C26 | C43 | H59 | 109.5° | 109.4° |
| C26 | C43 | H60 | 109.4° | 109.5° |
| C19 | C17 | C26 | 110.1° | 109.5° |
| C19 | C17 | H21 | 109.3° | 109.4° |
| C19 | C17 | H22 | 109.3° | 109.5° |
| C17 | C19 | H23 | 109.4° | 109.5° |
| C17 | C19 | H24 | 109.3° | 109.5° |
| C17 | C26 | C34 | 120.1° | 120.0° |
| C26 | C17 | H21 | 109.3° | 109.5° |
| C26 | C17 | H22 | 109.3° | 109.5° |
| C26 | C34 | C29 | 120.4° | 120.0° |
| C26 | C34 | H39 | 119.8° | 120.0° |
| C34 | C29 | C31 | 108.8° | 109.5° |
| C34 | C29 | H32 | 109.6° | 109.5° |
| C34 | C29 | H33 | 109.6° | 109.5° |
| C29 | C34 | H39 | 119.8° | 120.0° |
| C29 | C31 | C36 | 110.3° | 109.5° |
| C31 | C29 | H32 | 109.6° | 109.4° |
| C31 | C29 | H33 | 109.6° | 109.4° |
| C29 | C31 | H36 | 109.2° | 109.5° |
| C29 | C31 | H37 | 109.3° | 109.5° |
| C31 | C36 | C46 | 120.0° | 120.0° |
| C31 | C36 | C50 | 120.0° | 120.0° |
| C36 | C31 | H36 | 109.3° | 109.4° |
| C36 | C31 | H37 | 109.3° | 109.5° |
| C46 | C36 | C50 | 120.0° | 120.0° |
| C36 | C46 | C45 | 119.6° | 120.0° |
| C36 | C46 | H63 | 120.2° | 120.0° |
| C36 | C50 | H71 | 109.5° | 109.4° |
| C36 | C50 | H72 | 109.5° | 109.5° |
| C36 | C50 | H73 | 109.4° | 109.5° |
| C46 | C45 | C49 | 109.3° | 109.4° |
| C46 | C45 | H61 | 109.5° | 109.4° |
| C46 | C45 | H62 | 109.5° | 109.4° |
| C45 | C46 | H63 | 120.2° | 120.0° |
| C45 | C49 | C52 | 108.3° | 109.5° |
| C49 | C45 | H61 | 109.5° | 109.5° |
| C49 | C45 | H62 | 109.5° | 109.5° |
| C45 | C49 | H69 | 109.7° | 109.5° |
| C45 | C49 | H70 | 109.8° | 109.5° |
| C49 | C52 | C56 | 119.3° | 120.0° |
| C49 | C52 | C55 | 120.0° | 120.0° |
| C52 | C49 | H69 | 109.8° | 109.4° |
| C52 | C49 | H70 | 109.8° | 109.5° |
| C56 | C52 | C55 | 120.6° | 120.0° |
| C52 | C56 | C58 | 120.8° | 120.0° |
| C52 | C56 | H83 | 119.6° | 120.0° |
| C52 | C55 | H80 | 109.5° | 109.5° |
| C52 | C55 | H81 | 109.5° | 109.5° |
| C52 | C55 | H82 | 109.4° | 109.5° |
| C56 | C58 | O02 | 109.3° | 109.5° |
| C58 | C56 | H83 | 119.6° | 120.0° |
| C56 | C58 | H84 | 109.5° | 109.4° |
| C56 | C58 | H85 | 109.5° | 109.5° |
| C58 | O02 | P01 | 118.8° | 123.0° |
| O02 | C58 | H84 | 109.5° | 109.5° |
| O02 | C58 | H85 | 109.5° | 109.5° |
| O02 | P01 | O04 | 109.1° | 109.5° |
| O02 | P01 | O05 | 109.7° | 109.5° |
| O02 | P01 | O03 | 109.7° | 109.5° |
| O04 | P01 | O05 | 109.9° | 109.4° |
| O04 | P01 | O03 | 109.5° | 109.5° |
| O05 | P01 | O03 | 108.8° | 109.5° |
| P01 | O05 | H2 | 109.5° | 113.9° |
| P01 | O03 | H1 | 109.5° | 114.0° |
| H3 | C06 | H4 | 109.5° | 109.5° |
| H5 | C07 | H6 | 109.5° | 109.5° |
| H7 | C08 | H8 | 109.5° | 109.4° |
| H9 | C09 | H10 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.4° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.4° |
| H25 | C21 | H26 | 109.5° | 109.5° |
| H32 | C29 | H33 | 109.5° | 109.5° |
| H34 | C30 | H35 | 109.5° | 109.4° |
| H36 | C31 | H37 | 109.5° | 109.5° |
| H40 | C35 | H41 | 109.5° | 109.5° |
| H42 | C37 | H43 | 109.4° | 109.5° |
| H42 | C37 | H44 | 109.5° | 109.5° |
| H43 | C37 | H44 | 109.5° | 109.5° |
| H45 | C38 | H46 | 109.5° | 109.5° |
| H45 | C38 | H47 | 109.5° | 109.5° |
| H46 | C38 | H47 | 109.4° | 109.5° |
| H48 | C39 | H49 | 109.4° | 109.5° |
| H48 | C39 | H50 | 109.5° | 109.5° |
| H49 | C39 | H50 | 109.5° | 109.5° |
| H51 | C40 | H52 | 109.5° | 109.5° |
| H51 | C40 | H53 | 109.4° | 109.4° |
| H52 | C40 | H53 | 109.5° | 109.4° |
| H54 | C41 | H55 | 109.5° | 109.5° |
| H54 | C41 | H56 | 109.5° | 109.4° |
| H55 | C41 | H56 | 109.5° | 109.5° |
| H58 | C43 | H59 | 109.4° | 109.5° |
| H58 | C43 | H60 | 109.5° | 109.5° |
| H59 | C43 | H60 | 109.5° | 109.5° |
| H61 | C45 | H62 | 109.5° | 109.5° |
| H64 | C47 | H65 | 109.4° | 109.5° |
| H66 | C48 | H67 | 109.5° | 109.5° |
| H66 | C48 | H68 | 109.4° | 109.5° |
| H67 | C48 | H68 | 109.5° | 109.4° |
| H69 | C49 | H70 | 109.5° | 109.5° |
| H71 | C50 | H72 | 109.5° | 109.5° |
| H71 | C50 | H73 | 109.5° | 109.4° |
| H72 | C50 | H73 | 109.4° | 109.5° |
| H74 | C51 | H75 | 109.5° | 109.5° |
| H76 | C53 | H77 | 109.5° | 109.5° |
| H76 | C53 | H78 | 109.5° | 109.5° |
| H77 | C53 | H78 | 109.4° | 109.4° |
| H80 | C55 | H81 | 109.4° | 109.5° |
| H80 | C55 | H82 | 109.4° | 109.5° |
| H81 | C55 | H82 | 109.5° | 109.4° |
| H84 | C58 | H85 | 109.5° | 109.4° |
| H86 | C59 | H87 | 109.4° | 109.5° |
| H86 | C59 | H88 | 109.5° | 109.5° |
| H87 | C59 | H88 | 109.5° | 109.5° |
| H89 | C60 | H90 | 109.4° | 109.5° |
| H89 | C60 | H91 | 109.4° | 109.5° |
| H90 | C60 | H91 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C60 | C57 | C59 | C54 | 179.6° | 179.9° |
| C60 | C57 | C54 | C51 | 0.4° | 180.0° |
| C60 | C57 | C54 | H79 | 179.6° | 0.0° |
| C60 | C57 | C59 | H86 | 180.0° | 120.0° |
| C60 | C57 | C59 | H87 | 60.0° | 0.1° |
| C60 | C57 | C59 | H88 | 60.0° | 120.0° |
| C57 | C60 | H89 | H90 | 120.0° | 120.0° |
| C57 | C60 | H89 | H91 | 120.0° | 120.0° |
| C57 | C60 | H90 | H91 | 120.0° | 120.0° |
| C59 | C57 | C54 | C51 | 180.0° | 0.0° |
| C59 | C57 | C54 | H79 | 0.0° | 180.0° |
| C57 | C59 | H86 | H87 | 120.0° | 120.0° |
| C57 | C59 | H86 | H88 | 120.0° | 120.0° |
| C57 | C59 | H87 | H88 | 120.0° | 120.0° |
| C59 | C57 | C60 | H89 | 180.0° | 90.0° |
| C59 | C57 | C60 | H90 | 60.0° | 150.0° |
| C59 | C57 | C60 | H91 | 60.0° | 30.0° |
| C57 | C54 | C51 | H79 | 180.0° | 180.0° |
| C57 | C54 | C51 | C47 | 91.8° | 125.0° |
| C57 | C54 | C51 | H74 | 28.1° | 5.0° |
| C57 | C54 | C51 | H75 | 148.3° | 115.0° |
| C54 | C57 | C59 | H86 | 0.3° | 60.0° |
| C54 | C57 | C59 | H87 | 119.6° | 180.0° |
| C54 | C57 | C59 | H88 | 120.4° | 60.0° |
| C54 | C57 | C60 | H89 | 0.4° | 90.0° |
| C54 | C57 | C60 | H90 | 120.4° | 30.0° |
| C54 | C57 | C60 | H91 | 119.6° | 150.0° |
| C54 | C51 | C47 | H74 | 119.9° | 120.0° |
| C54 | C51 | C47 | H75 | 119.9° | 119.9° |
| C54 | C51 | C47 | C44 | 165.3° | 180.0° |
| C54 | C51 | C47 | H64 | 45.2° | 60.0° |
| C54 | C51 | C47 | H65 | 74.4° | 60.1° |
| C54 | C51 | H74 | H75 | 120.3° | 119.9° |
| C51 | C47 | C44 | C53 | 22.8° | 85.0° |
| C51 | C47 | C44 | H64 | 120.2° | 120.0° |
| C51 | C47 | C44 | H65 | 120.2° | 120.0° |
| C51 | C47 | C44 | C42 | 157.3° | 95.0° |
| C51 | C47 | H64 | H65 | 119.5° | 120.0° |
| C47 | C51 | H74 | H75 | 120.3° | 120.0° |
| C47 | C51 | C54 | H79 | 88.2° | 55.0° |
| C53 | C44 | C47 | C42 | 180.0° | 180.0° |
| C53 | C44 | C42 | C35 | 0.0° | 5.4° |
| C53 | C44 | C42 | H57 | 180.0° | 174.7° |
| C53 | C44 | C47 | H64 | 97.4° | 35.0° |
| C53 | C44 | C47 | H65 | 143.0° | 155.0° |
| C44 | C53 | H76 | H77 | 120.0° | 120.0° |
| C44 | C53 | H76 | H78 | 120.0° | 120.1° |
| C44 | C53 | H77 | H78 | 120.0° | 120.0° |
| C47 | C44 | C42 | C35 | 179.9° | 174.7° |
| C47 | C44 | C42 | H57 | 0.1° | 5.3° |
| C44 | C47 | H64 | H65 | 119.5° | 120.0° |
| C44 | C47 | C51 | H74 | 74.7° | 60.0° |
| C44 | C47 | C51 | H75 | 45.4° | 60.0° |
| C47 | C44 | C53 | H76 | 180.0° | 94.3° |
| C47 | C44 | C53 | H77 | 60.0° | 25.7° |
| C47 | C44 | C53 | H78 | 60.0° | 145.7° |
| C44 | C42 | C35 | H57 | 180.0° | 180.0° |
| C44 | C42 | C35 | C30 | 137.0° | 120.0° |
| C44 | C42 | C35 | H40 | 103.1° | 0.1° |
| C44 | C42 | C35 | H41 | 17.2° | 120.0° |
| C42 | C44 | C47 | H64 | 82.5° | 145.0° |
| C42 | C44 | C47 | H65 | 37.1° | 25.0° |
| C42 | C44 | C53 | H76 | 0.0° | 85.7° |
| C42 | C44 | C53 | H77 | 120.1° | 154.3° |
| C42 | C44 | C53 | H78 | 120.0° | 34.3° |
| C42 | C35 | C30 | H40 | 119.8° | 120.0° |
| C42 | C35 | C30 | H41 | 119.8° | 120.0° |
| C42 | C35 | C30 | C32 | 116.4° | 180.0° |
| C42 | C35 | C30 | H34 | 123.5° | 60.0° |
| C42 | C35 | C30 | H35 | 3.7° | 59.9° |
| C42 | C35 | H40 | H41 | 120.5° | 120.1° |
| C35 | C30 | C32 | C48 | 79.6° | 85.0° |
| C35 | C30 | C32 | H34 | 120.1° | 120.0° |
| C35 | C30 | C32 | H35 | 120.1° | 120.0° |
| C35 | C30 | C32 | C33 | 100.7° | 95.0° |
| C35 | C30 | H34 | H35 | 119.7° | 120.0° |
| C30 | C35 | H40 | H41 | 120.5° | 120.0° |
| C30 | C35 | C42 | H57 | 42.9° | 60.1° |
| C48 | C32 | C30 | C33 | 179.6° | 180.0° |
| C48 | C32 | C33 | C21 | 0.1° | 3.7° |
| C48 | C32 | C30 | H34 | 40.5° | 35.1° |
| C48 | C32 | C30 | H35 | 160.3° | 155.0° |
| C48 | C32 | C33 | H38 | 179.9° | 176.3° |
| C32 | C48 | H66 | H67 | 120.0° | 120.0° |
| C32 | C48 | H66 | H68 | 120.0° | 120.0° |
| C32 | C48 | H67 | H68 | 120.0° | 120.0° |
| C30 | C32 | C33 | C21 | 179.8° | 176.2° |
| C32 | C30 | H34 | H35 | 119.8° | 120.0° |
| C30 | C32 | C33 | H38 | 0.2° | 3.8° |
| C32 | C30 | C35 | H40 | 3.4° | 60.0° |
| C32 | C30 | C35 | H41 | 123.8° | 60.0° |
| C30 | C32 | C48 | H66 | 180.0° | 95.7° |
| C30 | C32 | C48 | H67 | 60.0° | 144.3° |
| C30 | C32 | C48 | H68 | 60.0° | 24.3° |
| C32 | C33 | C21 | H38 | 180.0° | 180.0° |
| C32 | C33 | C21 | C16 | 171.2° | 125.7° |
| C32 | C33 | C21 | H25 | 51.2° | 5.8° |
| C32 | C33 | C21 | H26 | 68.7° | 114.3° |
| C33 | C32 | C30 | H34 | 139.2° | 145.0° |
| C33 | C32 | C30 | H35 | 19.3° | 25.0° |
| C33 | C32 | C48 | H66 | 0.4° | 84.2° |
| C33 | C32 | C48 | H67 | 120.4° | 35.8° |
| C33 | C32 | C48 | H68 | 119.6° | 155.7° |
| C33 | C21 | C16 | H25 | 120.0° | 120.0° |
| C33 | C21 | C16 | H26 | 120.0° | 120.0° |
| C33 | C21 | C16 | C22 | 76.3° | 180.0° |
| C33 | C21 | C16 | H19 | 43.8° | 60.0° |
| C33 | C21 | C16 | H20 | 163.5° | 60.1° |
| C33 | C21 | H25 | H26 | 119.9° | 120.0° |
| C21 | C16 | C22 | H19 | 120.1° | 120.0° |
| C21 | C16 | C22 | H20 | 120.1° | 119.9° |
| C21 | C16 | C22 | C41 | 161.6° | 85.0° |
| C21 | C16 | C22 | C28 | 18.4° | 95.1° |
| C21 | C16 | H19 | H20 | 119.6° | 120.0° |
| C16 | C21 | H25 | H26 | 119.9° | 120.0° |
| C16 | C21 | C33 | H38 | 8.8° | 54.3° |
| C16 | C22 | C41 | C28 | 180.0° | 179.9° |
| C16 | C22 | C28 | C13 | 179.9° | 174.5° |
| C22 | C16 | H19 | H20 | 119.6° | 120.0° |
| C22 | C16 | C21 | H25 | 163.6° | 60.1° |
| C22 | C16 | C21 | H26 | 43.7° | 60.0° |
| C16 | C22 | C28 | H31 | 0.1° | 5.5° |
| C16 | C22 | C41 | H54 | 180.0° | 94.3° |
| C16 | C22 | C41 | H55 | 60.0° | 145.7° |
| C16 | C22 | C41 | H56 | 60.0° | 25.6° |
| C41 | C22 | C28 | C13 | 0.1° | 5.6° |
| C41 | C22 | C16 | H19 | 41.5° | 155.0° |
| C41 | C22 | C16 | H20 | 78.3° | 34.9° |
| C41 | C22 | C28 | H31 | 179.9° | 174.4° |
| C22 | C41 | H54 | H55 | 120.0° | 120.1° |
| C22 | C41 | H54 | H56 | 120.0° | 119.9° |
| C22 | C41 | H55 | H56 | 120.0° | 120.0° |
| C22 | C28 | C13 | H31 | 180.0° | 179.9° |
| C22 | C28 | C13 | C09 | 138.5° | 121.6° |
| C22 | C28 | C13 | H17 | 18.5° | 118.4° |
| C22 | C28 | C13 | H18 | 101.5° | 1.6° |
| C28 | C22 | C16 | H19 | 138.5° | 24.9° |
| C28 | C22 | C16 | H20 | 101.8° | 145.0° |
| C28 | C22 | C41 | H54 | 0.0° | 85.8° |
| C28 | C22 | C41 | H55 | 120.0° | 34.3° |
| C28 | C22 | C41 | H56 | 120.0° | 154.3° |
| C28 | C13 | C09 | H17 | 120.0° | 120.0° |
| C28 | C13 | C09 | H18 | 120.0° | 120.0° |
| C28 | C13 | C09 | C18 | 89.8° | 176.8° |
| C28 | C13 | C09 | H9 | 30.3° | 56.9° |
| C28 | C13 | C09 | H10 | 150.1° | 63.2° |
| C28 | C13 | H17 | H18 | 120.1° | 120.0° |
| C38 | C15 | C24 | C06 | 180.0° | 179.9° |
| C38 | C15 | C24 | C12 | 180.0° | 174.3° |
| C38 | C15 | C06 | C10 | 91.5° | 85.4° |
| C38 | C15 | C06 | H3 | 148.5° | 154.6° |
| C38 | C15 | C06 | H4 | 28.6° | 34.6° |
| C38 | C15 | C24 | H28 | 0.0° | 5.6° |
| C15 | C38 | H45 | H46 | 120.0° | 120.0° |
| C15 | C38 | H45 | H47 | 120.0° | 120.0° |
| C15 | C38 | H46 | H47 | 120.0° | 119.9° |
| C13 | C09 | C18 | C39 | 83.1° | 86.5° |
| C13 | C09 | C18 | H9 | 120.1° | 120.0° |
| C13 | C09 | C18 | H10 | 120.1° | 120.0° |
| C13 | C09 | C18 | C25 | 96.9° | 93.4° |
| C13 | C09 | H9 | H10 | 119.8° | 120.0° |
| C09 | C13 | H17 | H18 | 120.1° | 120.1° |
| C09 | C13 | C28 | H31 | 41.5° | 58.4° |
| C39 | C18 | C09 | C25 | 180.0° | 179.9° |
| C39 | C18 | C25 | C11 | 180.0° | 175.1° |
| C39 | C18 | C09 | H9 | 37.0° | 153.5° |
| C39 | C18 | C09 | H10 | 156.8° | 33.5° |
| C39 | C18 | C25 | H29 | 0.0° | 5.0° |
| C18 | C39 | H48 | H49 | 120.0° | 120.0° |
| C18 | C39 | H48 | H50 | 120.0° | 120.0° |
| C18 | C39 | H49 | H50 | 120.0° | 119.9° |
| C09 | C18 | C25 | C11 | 0.0° | 4.9° |
| C18 | C09 | H9 | H10 | 119.7° | 120.0° |
| C18 | C09 | C13 | H17 | 150.2° | 56.9° |
| C18 | C09 | C13 | H18 | 30.2° | 63.2° |
| C09 | C18 | C25 | H29 | 180.0° | 175.1° |
| C09 | C18 | C39 | H48 | 180.0° | 90.0° |
| C09 | C18 | C39 | H49 | 60.0° | 150.0° |
| C09 | C18 | C39 | H50 | 60.0° | 30.0° |
| C15 | C24 | C12 | H28 | 180.0° | 179.9° |
| C24 | C15 | C06 | C10 | 88.5° | 94.7° |
| C15 | C24 | C12 | C08 | 139.9° | 120.0° |
| C24 | C15 | C06 | H3 | 31.5° | 25.3° |
| C24 | C15 | C06 | H4 | 151.4° | 145.3° |
| C15 | C24 | C12 | H15 | 100.1° | 0.0° |
| C15 | C24 | C12 | H16 | 19.8° | 120.0° |
| C24 | C15 | C38 | H45 | 180.0° | 89.9° |
| C24 | C15 | C38 | H46 | 60.0° | 150.0° |
| C24 | C15 | C38 | H47 | 60.0° | 30.1° |
| C06 | C15 | C24 | C12 | 0.0° | 5.8° |
| C15 | C06 | C10 | H3 | 120.1° | 119.9° |
| C15 | C06 | C10 | H4 | 120.0° | 120.1° |
| C15 | C06 | C10 | C23 | 148.6° | 176.4° |
| C15 | C06 | H3 | H4 | 119.8° | 120.0° |
| C15 | C06 | C10 | H11 | 28.5° | 63.5° |
| C15 | C06 | C10 | H12 | 91.3° | 56.4° |
| C06 | C15 | C24 | H28 | 180.0° | 174.2° |
| C06 | C15 | C38 | H45 | 0.0° | 90.0° |
| C06 | C15 | C38 | H46 | 120.0° | 30.1° |
| C06 | C15 | C38 | H47 | 120.0° | 150.0° |
| C24 | C12 | C08 | H15 | 120.0° | 120.0° |
| C24 | C12 | C08 | H16 | 120.0° | 120.0° |
| C24 | C12 | C08 | C20 | 120.3° | 178.5° |
| C24 | C12 | C08 | H7 | 0.3° | 58.5° |
| C24 | C12 | C08 | H8 | 119.7° | 61.5° |
| C24 | C12 | H15 | H16 | 119.8° | 120.0° |
| C06 | C10 | C23 | H11 | 120.1° | 120.0° |
| C06 | C10 | C23 | H12 | 120.1° | 119.9° |
| C06 | C10 | C23 | C14 | 107.3° | 124.4° |
| C10 | C06 | H3 | H4 | 119.8° | 120.0° |
| C06 | C10 | H11 | H12 | 119.7° | 119.9° |
| C06 | C10 | C23 | H27 | 72.8° | 55.6° |
| C18 | C25 | C11 | H29 | 180.0° | 179.9° |
| C18 | C25 | C11 | C07 | 128.4° | 119.2° |
| C25 | C18 | C09 | H9 | 143.1° | 26.6° |
| C25 | C18 | C09 | H10 | 23.3° | 146.6° |
| C18 | C25 | C11 | H13 | 111.6° | 0.8° |
| C18 | C25 | C11 | H14 | 8.4° | 120.9° |
| C25 | C18 | C39 | H48 | 0.0° | 89.9° |
| C25 | C18 | C39 | H49 | 120.0° | 30.1° |
| C25 | C18 | C39 | H50 | 120.0° | 150.0° |
| C12 | C08 | C20 | H7 | 120.0° | 120.0° |
| C12 | C08 | C20 | H8 | 120.0° | 120.0° |
| C12 | C08 | C20 | C27 | 64.7° | 96.0° |
| C12 | C08 | C20 | C40 | 115.1° | 84.1° |
| C12 | C08 | H7 | H8 | 119.9° | 120.0° |
| C08 | C12 | H15 | H16 | 119.9° | 120.0° |
| C08 | C12 | C24 | H28 | 40.1° | 60.1° |
| C25 | C11 | C07 | H13 | 120.0° | 120.0° |
| C25 | C11 | C07 | H14 | 120.0° | 119.9° |
| C25 | C11 | C07 | C14 | 133.1° | 177.5° |
| C25 | C11 | C07 | H5 | 13.1° | 57.6° |
| C25 | C11 | C07 | H6 | 106.9° | 62.4° |
| C25 | C11 | H13 | H14 | 120.1° | 120.0° |
| C10 | C23 | C14 | H27 | 180.0° | 180.0° |
| C10 | C23 | C14 | C07 | 179.9° | 178.8° |
| C10 | C23 | C14 | C37 | 0.1° | 1.1° |
| C23 | C10 | C06 | H3 | 91.3° | 63.7° |
| C23 | C10 | C06 | H4 | 28.6° | 56.4° |
| C23 | C10 | H11 | H12 | 119.7° | 120.1° |
| C08 | C20 | C27 | C40 | 179.8° | 180.0° |
| C08 | C20 | C27 | C19 | 179.9° | 179.4° |
| C20 | C08 | H7 | H8 | 120.0° | 120.0° |
| C20 | C08 | C12 | H15 | 119.6° | 58.5° |
| C20 | C08 | C12 | H16 | 0.3° | 61.6° |
| C08 | C20 | C27 | H30 | 0.1° | 0.6° |
| C08 | C20 | C40 | H51 | 180.0° | 94.3° |
| C08 | C20 | C40 | H52 | 60.0° | 145.7° |
| C08 | C20 | C40 | H53 | 60.0° | 25.7° |
| C23 | C14 | C07 | C11 | 14.7° | 96.0° |
| C23 | C14 | C07 | C37 | 180.0° | 180.0° |
| C23 | C14 | C07 | H5 | 105.3° | 23.9° |
| C23 | C14 | C07 | H6 | 134.7° | 144.0° |
| C14 | C23 | C10 | H11 | 132.6° | 4.4° |
| C14 | C23 | C10 | H12 | 12.8° | 115.7° |
| C23 | C14 | C37 | H42 | 180.0° | 87.5° |
| C23 | C14 | C37 | H43 | 60.0° | 32.6° |
| C23 | C14 | C37 | H44 | 60.0° | 152.6° |
| C11 | C07 | C14 | H5 | 120.0° | 119.9° |
| C11 | C07 | C14 | H6 | 120.0° | 120.0° |
| C11 | C07 | C14 | C37 | 165.3° | 84.0° |
| C11 | C07 | H5 | H6 | 120.0° | 120.0° |
| C07 | C11 | H13 | H14 | 120.0° | 120.0° |
| C07 | C11 | C25 | H29 | 51.6° | 60.8° |
| C14 | C07 | H5 | H6 | 120.0° | 120.1° |
| C14 | C07 | C11 | H13 | 106.9° | 57.5° |
| C14 | C07 | C11 | H14 | 13.1° | 62.5° |
| C07 | C14 | C23 | H27 | 0.1° | 1.2° |
| C07 | C14 | C37 | H42 | 0.0° | 92.6° |
| C07 | C14 | C37 | H43 | 120.0° | 147.4° |
| C07 | C14 | C37 | H44 | 120.0° | 27.4° |
| C37 | C14 | C07 | H5 | 74.7° | 156.0° |
| C37 | C14 | C07 | H6 | 45.3° | 36.0° |
| C37 | C14 | C23 | H27 | 179.9° | 178.9° |
| C14 | C37 | H42 | H43 | 120.0° | 120.0° |
| C14 | C37 | H42 | H44 | 120.0° | 120.0° |
| C14 | C37 | H43 | H44 | 120.0° | 120.0° |
| C20 | C27 | C19 | H30 | 180.0° | 180.0° |
| C20 | C27 | C19 | C17 | 160.9° | 123.9° |
| C27 | C20 | C08 | H7 | 55.3° | 24.0° |
| C27 | C20 | C08 | H8 | 175.3° | 144.0° |
| C20 | C27 | C19 | H23 | 79.0° | 3.9° |
| C20 | C27 | C19 | H24 | 40.8° | 116.0° |
| C27 | C20 | C40 | H51 | 0.2° | 85.8° |
| C27 | C20 | C40 | H52 | 120.2° | 34.3° |
| C27 | C20 | C40 | H53 | 119.8° | 154.3° |
| C40 | C20 | C27 | C19 | 0.3° | 0.7° |
| C40 | C20 | C08 | H7 | 124.9° | 155.9° |
| C40 | C20 | C08 | H8 | 4.9° | 36.0° |
| C40 | C20 | C27 | H30 | 179.7° | 179.4° |
| C20 | C40 | H51 | H52 | 120.0° | 120.1° |
| C20 | C40 | H51 | H53 | 120.0° | 120.0° |
| C20 | C40 | H52 | H53 | 120.0° | 120.0° |
| C27 | C19 | C17 | H23 | 120.1° | 120.1° |
| C27 | C19 | C17 | H24 | 120.1° | 120.1° |
| C27 | C19 | C17 | C26 | 75.9° | 176.5° |
| C27 | C19 | C17 | H21 | 164.0° | 63.5° |
| C27 | C19 | C17 | H22 | 44.2° | 56.5° |
| C27 | C19 | H23 | H24 | 119.7° | 120.0° |
| C43 | C26 | C17 | C19 | 126.9° | 85.0° |
| C43 | C26 | C17 | C34 | 180.0° | 179.9° |
| C43 | C26 | C34 | C29 | 0.1° | 4.9° |
| C43 | C26 | C17 | H21 | 113.0° | 155.1° |
| C43 | C26 | C17 | H22 | 6.8° | 35.0° |
| C43 | C26 | C34 | H39 | 179.9° | 175.0° |
| C26 | C43 | H58 | H59 | 120.0° | 119.9° |
| C26 | C43 | H58 | H60 | 120.0° | 120.0° |
| C26 | C43 | H59 | H60 | 120.0° | 120.0° |
| C19 | C17 | C26 | H21 | 120.1° | 120.0° |
| C19 | C17 | C26 | H22 | 120.1° | 120.0° |
| C19 | C17 | C26 | C34 | 53.1° | 94.9° |
| C19 | C17 | H21 | H22 | 119.7° | 120.0° |
| C17 | C19 | H23 | H24 | 119.8° | 119.9° |
| C17 | C19 | C27 | H30 | 19.1° | 56.0° |
| C17 | C26 | C34 | C29 | 179.9° | 175.0° |
| C26 | C17 | H21 | H22 | 119.7° | 120.0° |
| C26 | C17 | C19 | H23 | 44.2° | 63.4° |
| C26 | C17 | C19 | H24 | 164.1° | 56.5° |
| C17 | C26 | C34 | H39 | 0.1° | 5.1° |
| C17 | C26 | C43 | H58 | 180.0° | 96.3° |
| C17 | C26 | C43 | H59 | 60.0° | 143.7° |
| C17 | C26 | C43 | H60 | 60.0° | 23.7° |
| C26 | C34 | C29 | H39 | 180.0° | 179.9° |
| C26 | C34 | C29 | C31 | 141.1° | 124.4° |
| C34 | C26 | C17 | H21 | 67.0° | 25.0° |
| C34 | C26 | C17 | H22 | 173.2° | 145.0° |
| C26 | C34 | C29 | H32 | 99.0° | 4.4° |
| C26 | C34 | C29 | H33 | 21.2° | 115.6° |
| C34 | C26 | C43 | H58 | 0.0° | 83.6° |
| C34 | C26 | C43 | H59 | 120.0° | 36.4° |
| C34 | C26 | C43 | H60 | 120.0° | 156.4° |
| C34 | C29 | C31 | H32 | 119.9° | 120.0° |
| C34 | C29 | C31 | H33 | 119.9° | 120.0° |
| C34 | C29 | C31 | C36 | 145.3° | 180.0° |
| C34 | C29 | H32 | H33 | 120.3° | 120.1° |
| C34 | C29 | C31 | H36 | 94.6° | 60.0° |
| C34 | C29 | C31 | H37 | 25.2° | 60.0° |
| C29 | C31 | C36 | H36 | 120.1° | 120.0° |
| C29 | C31 | C36 | H37 | 120.1° | 120.0° |
| C29 | C31 | C36 | C46 | 21.6° | 95.0° |
| C29 | C31 | C36 | C50 | 158.4° | 85.0° |
| C31 | C29 | H32 | H33 | 120.3° | 120.0° |
| C29 | C31 | H36 | H37 | 119.6° | 120.0° |
| C31 | C29 | C34 | H39 | 38.9° | 55.7° |
| C31 | C36 | C46 | C50 | 180.0° | 180.0° |
| C31 | C36 | C46 | C45 | 179.8° | 174.0° |
| C36 | C31 | C29 | H32 | 25.4° | 60.0° |
| C36 | C31 | C29 | H33 | 94.8° | 60.0° |
| C36 | C31 | H36 | H37 | 119.6° | 120.0° |
| C31 | C36 | C46 | H63 | 0.2° | 6.1° |
| C31 | C36 | C50 | H71 | 180.0° | 94.9° |
| C31 | C36 | C50 | H72 | 60.0° | 145.0° |
| C31 | C36 | C50 | H73 | 60.0° | 25.0° |
| C36 | C46 | C45 | H63 | 180.0° | 179.9° |
| C36 | C46 | C45 | C49 | 150.9° | 123.2° |
| C46 | C36 | C31 | H36 | 98.5° | 25.0° |
| C46 | C36 | C31 | H37 | 141.7° | 145.0° |
| C36 | C46 | C45 | H61 | 89.2° | 116.8° |
| C36 | C46 | C45 | H62 | 30.9° | 3.2° |
| C46 | C36 | C50 | H71 | 0.0° | 85.1° |
| C46 | C36 | C50 | H72 | 120.0° | 34.9° |
| C46 | C36 | C50 | H73 | 120.1° | 155.0° |
| C50 | C36 | C46 | C45 | 0.2° | 6.0° |
| C50 | C36 | C31 | H36 | 81.5° | 155.0° |
| C50 | C36 | C31 | H37 | 38.3° | 35.0° |
| C50 | C36 | C46 | H63 | 179.8° | 173.9° |
| C36 | C50 | H71 | H72 | 120.0° | 120.0° |
| C36 | C50 | H71 | H73 | 120.0° | 120.0° |
| C36 | C50 | H72 | H73 | 120.0° | 120.1° |
| C46 | C45 | C49 | H61 | 120.0° | 120.0° |
| C46 | C45 | C49 | H62 | 120.0° | 119.9° |
| C46 | C45 | C49 | C52 | 133.4° | 180.0° |
| C46 | C45 | H61 | H62 | 120.1° | 119.9° |
| C46 | C45 | C49 | H69 | 13.6° | 60.0° |
| C46 | C45 | C49 | H70 | 106.8° | 60.0° |
| C45 | C49 | C52 | H69 | 119.8° | 120.0° |
| C45 | C49 | C52 | H70 | 119.8° | 120.1° |
| C45 | C49 | C52 | C56 | 39.3° | 94.9° |
| C45 | C49 | C52 | C55 | 140.5° | 85.0° |
| C49 | C45 | H61 | H62 | 120.1° | 120.1° |
| C49 | C45 | C46 | H63 | 29.1° | 56.9° |
| C45 | C49 | H69 | H70 | 120.5° | 120.1° |
| C49 | C52 | C56 | C55 | 179.8° | 179.9° |
| C49 | C52 | C56 | C58 | 179.9° | NaN° |
| C52 | C49 | C45 | H61 | 106.6° | 60.0° |
| C52 | C49 | C45 | H62 | 13.4° | 60.0° |
| C52 | C49 | H69 | H70 | 120.6° | 120.0° |
| C49 | C52 | C55 | H80 | 180.0° | 90.0° |
| C49 | C52 | C55 | H81 | 60.0° | 150.0° |
| C49 | C52 | C55 | H82 | 60.0° | 30.0° |
| C49 | C52 | C56 | H83 | 0.1° | 0.1° |
| C52 | C56 | C58 | H83 | 180.0° | 179.9° |
| C52 | C56 | C58 | O02 | 172.0° | 135.0° |
| C56 | C52 | C49 | H69 | 159.0° | 25.0° |
| C56 | C52 | C49 | H70 | 80.6° | 145.0° |
| C56 | C52 | C55 | H80 | 0.3° | 90.0° |
| C56 | C52 | C55 | H81 | 119.7° | 30.1° |
| C56 | C52 | C55 | H82 | 120.2° | 150.1° |
| C52 | C56 | C58 | H84 | 68.0° | 15.0° |
| C52 | C56 | C58 | H85 | 52.1° | 104.9° |
| C55 | C52 | C56 | C58 | 0.2° | 0.1° |
| C55 | C52 | C49 | H69 | 20.7° | 155.0° |
| C55 | C52 | C49 | H70 | 99.7° | 35.1° |
| C52 | C55 | H80 | H81 | 120.0° | 120.0° |
| C52 | C55 | H80 | H82 | 120.0° | 120.0° |
| C52 | C55 | H81 | H82 | 120.0° | 120.0° |
| C55 | C52 | C56 | H83 | 179.8° | 180.0° |
| C56 | C58 | O02 | H84 | 120.0° | 119.9° |
| C56 | C58 | O02 | H85 | 120.0° | 120.1° |
| C56 | C58 | O02 | P01 | 153.0° | 180.0° |
| C56 | C58 | H84 | H85 | 120.1° | 120.0° |
| C58 | O02 | P01 | O04 | 118.7° | 55.0° |
| C58 | O02 | P01 | O05 | 120.8° | 65.0° |
| C58 | O02 | P01 | O03 | 1.3° | 175.0° |
| O02 | C58 | C56 | H83 | 7.9° | 45.0° |
| O02 | C58 | H84 | H85 | 120.0° | 120.0° |
| O02 | P01 | O04 | O05 | 120.3° | 120.0° |
| O02 | P01 | O04 | O03 | 120.1° | 120.0° |
| O02 | P01 | O05 | O03 | 120.1° | 120.0° |
| O02 | P01 | O03 | H1 | 119.8° | 180.0° |
| O02 | P01 | O05 | H2 | 120.0° | 60.0° |
| P01 | O02 | C58 | H84 | 87.1° | 60.0° |
| P01 | O02 | C58 | H85 | 33.0° | 60.0° |
| O04 | P01 | O05 | O03 | 119.9° | 120.0° |
| O04 | P01 | O03 | H1 | 0.0° | 60.0° |
| O04 | P01 | O05 | H2 | 0.0° | 180.0° |
| O05 | P01 | O03 | H1 | 120.2° | 60.0° |
| O03 | P01 | O05 | H2 | 119.9° | 60.0° |
| H3 | C06 | C10 | H11 | 148.5° | 56.4° |
| H3 | C06 | C10 | H12 | 28.8° | 176.4° |
| H4 | C06 | C10 | H11 | 91.5° | 176.4° |
| H4 | C06 | C10 | H12 | 148.7° | 63.6° |
| H5 | C07 | C11 | H13 | 133.1° | 62.4° |
| H5 | C07 | C11 | H14 | 106.9° | 177.5° |
| H6 | C07 | C11 | H13 | 13.1° | 177.5° |
| H6 | C07 | C11 | H14 | 133.1° | 57.5° |
| H7 | C08 | C12 | H15 | 120.3° | 61.5° |
| H7 | C08 | C12 | H16 | 119.7° | 178.5° |
| H8 | C08 | C12 | H15 | 0.4° | 178.5° |
| H8 | C08 | C12 | H16 | 120.3° | 58.5° |
| H9 | C09 | C13 | H17 | 89.7° | 63.1° |
| H9 | C09 | C13 | H18 | 150.3° | 176.9° |
| H10 | C09 | C13 | H17 | 30.2° | 176.9° |
| H10 | C09 | C13 | H18 | 89.9° | 56.9° |
| H11 | C10 | C23 | H27 | 47.3° | 175.6° |
| H12 | C10 | C23 | H27 | 167.1° | 64.3° |
| H13 | C11 | C25 | H29 | 68.4° | 179.2° |
| H14 | C11 | C25 | H29 | 171.6° | 59.2° |
| H15 | C12 | C24 | H28 | 79.9° | 179.9° |
| H16 | C12 | C24 | H28 | 160.2° | 59.9° |
| H17 | C13 | C28 | H31 | 161.5° | 61.5° |
| H18 | C13 | C28 | H31 | 78.5° | 178.5° |
| H19 | C16 | C21 | H25 | 76.2° | 60.0° |
| H19 | C16 | C21 | H26 | 163.8° | 180.0° |
| H20 | C16 | C21 | H25 | 43.5° | 180.0° |
| H20 | C16 | C21 | H26 | 76.4° | 59.9° |
| H21 | C17 | C19 | H23 | 75.9° | 56.6° |
| H21 | C17 | C19 | H24 | 43.9° | 176.4° |
| H22 | C17 | C19 | H23 | 164.3° | 176.6° |
| H22 | C17 | C19 | H24 | 75.8° | 63.6° |
| H23 | C19 | C27 | H30 | 101.0° | 176.1° |
| H24 | C19 | C27 | H30 | 139.2° | 64.0° |
| H25 | C21 | C33 | H38 | 128.8° | 174.2° |
| H26 | C21 | C33 | H38 | 111.2° | 65.7° |
| H32 | C29 | C31 | H36 | 145.5° | 60.0° |
| H32 | C29 | C31 | H37 | 94.7° | 179.9° |
| H32 | C29 | C34 | H39 | 81.0° | 175.6° |
| H33 | C29 | C31 | H36 | 25.3° | 180.0° |
| H33 | C29 | C31 | H37 | 145.1° | 60.0° |
| H33 | C29 | C34 | H39 | 158.8° | 64.3° |
| H34 | C30 | C35 | H40 | 116.7° | 180.0° |
| H34 | C30 | C35 | H41 | 3.7° | 60.0° |
| H35 | C30 | C35 | H40 | 123.5° | 60.0° |
| H35 | C30 | C35 | H41 | 116.1° | 180.0° |
| H40 | C35 | C42 | H57 | 76.9° | 180.0° |
| H41 | C35 | C42 | H57 | 162.8° | 60.0° |
| H42 | C37 | H43 | H44 | 120.0° | 120.0° |
| H45 | C38 | H46 | H47 | 120.0° | 120.1° |
| H48 | C39 | H49 | H50 | 120.0° | 120.1° |
| H51 | C40 | H52 | H53 | 120.0° | 119.9° |
| H54 | C41 | H55 | H56 | 120.0° | 120.0° |
| H58 | C43 | H59 | H60 | 120.0° | 120.1° |
| H61 | C45 | C46 | H63 | 90.8° | 63.1° |
| H61 | C45 | C49 | H69 | 133.6° | 180.0° |
| H61 | C45 | C49 | H70 | 13.2° | 60.0° |
| H62 | C45 | C46 | H63 | 149.1° | 176.9° |
| H62 | C45 | C49 | H69 | 106.4° | 59.9° |
| H62 | C45 | C49 | H70 | 133.2° | 180.0° |
| H64 | C47 | C51 | H74 | 165.1° | 180.0° |
| H64 | C47 | C51 | H75 | 74.8° | 59.9° |
| H65 | C47 | C51 | H74 | 45.5° | 60.0° |
| H65 | C47 | C51 | H75 | 165.6° | 180.0° |
| H66 | C48 | H67 | H68 | 120.0° | 120.0° |
| H71 | C50 | H72 | H73 | 120.0° | 120.0° |
| H74 | C51 | C54 | H79 | 152.0° | 175.0° |
| H75 | C51 | C54 | H79 | 31.8° | 65.0° |
| H76 | C53 | H77 | H78 | 120.0° | 120.0° |
| H80 | C55 | H81 | H82 | 120.0° | 120.0° |
| H83 | C56 | C58 | H84 | 112.0° | 165.0° |
| H83 | C56 | C58 | H85 | 127.9° | 75.0° |
| H86 | C59 | H87 | H88 | 120.0° | 120.0° |
| H89 | C60 | H90 | H91 | 119.9° | 120.0° |
