A1L8Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C56 | C53 | doub | 1.39Å | 1.38Å | Aromatic |
| C56 | C55 | sing | 1.38Å | 1.39Å | Aromatic |
| C53 | C38 | sing | 1.39Å | 1.39Å | Aromatic |
| C55 | C52 | doub | 1.39Å | 1.38Å | Aromatic |
| O2 | C39 | doub | 1.22Å | 1.22Å | |
| C38 | C39 | sing | 1.48Å | 1.48Å | |
| C38 | C36 | doub | 1.41Å | 1.40Å | Aromatic |
| C39 | C31 | sing | 1.48Å | 1.48Å | |
| C52 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.48Å | 1.48Å | |
| C31 | C51 | sing | 1.51Å | 1.50Å | |
| C31 | C19 | doub | 1.34Å | 1.38Å | |
| C60 | C59 | sing | 1.51Å | 1.50Å | |
| C43 | C17 | sing | 1.51Å | 1.50Å | |
| C37 | C19 | sing | 1.48Å | 1.47Å | |
| C37 | O1 | doub | 1.22Å | 1.22Å | |
| C61 | C59 | sing | 1.51Å | 1.50Å | |
| C19 | C22 | sing | 1.51Å | 1.51Å | |
| C59 | C58 | doub | 1.31Å | 1.33Å | |
| C26 | C17 | doub | 1.31Å | 1.34Å | |
| C26 | C8 | sing | 1.51Å | 1.50Å | |
| C17 | C4 | sing | 1.51Å | 1.51Å | |
| C22 | C32 | sing | 1.51Å | 1.51Å | |
| C58 | C54 | sing | 1.51Å | 1.50Å | |
| C8 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C29 | sing | 1.51Å | 1.50Å | |
| C32 | C23 | doub | 1.31Å | 1.33Å | |
| C54 | C49 | sing | 1.53Å | 1.53Å | |
| C2 | C13 | sing | 1.51Å | 1.51Å | |
| C29 | C21 | doub | 1.31Å | 1.34Å | |
| C41 | C13 | sing | 1.51Å | 1.51Å | |
| C23 | C46 | sing | 1.51Å | 1.51Å | |
| C23 | C11 | sing | 1.51Å | 1.51Å | |
| C13 | C24 | doub | 1.31Å | 1.33Å | |
| C49 | C48 | sing | 1.51Å | 1.51Å | |
| C57 | C48 | sing | 1.51Å | 1.51Å | |
| C24 | C6 | sing | 1.51Å | 1.50Å | |
| C40 | C12 | sing | 1.51Å | 1.51Å | |
| C1 | C12 | sing | 1.51Å | 1.51Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C21 | C45 | sing | 1.51Å | 1.51Å | |
| C21 | C15 | sing | 1.51Å | 1.51Å | |
| C48 | C47 | doub | 1.31Å | 1.34Å | |
| C11 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | C25 | doub | 1.31Å | 1.33Å | |
| C5 | C18 | sing | 1.51Å | 1.51Å | |
| C5 | C9 | sing | 1.53Å | 1.53Å | |
| C20 | C15 | sing | 1.53Å | 1.53Å | |
| C20 | C34 | sing | 1.51Å | 1.50Å | |
| C28 | C14 | sing | 1.51Å | 1.50Å | |
| C28 | C18 | doub | 1.31Å | 1.33Å | |
| C25 | C7 | sing | 1.51Å | 1.50Å | |
| C18 | C44 | sing | 1.51Å | 1.51Å | |
| C9 | C27 | sing | 1.51Å | 1.50Å | |
| C27 | C16 | doub | 1.31Å | 1.33Å | |
| C7 | C3 | sing | 1.53Å | 1.53Å | |
| C47 | C35 | sing | 1.51Å | 1.50Å | |
| C34 | C33 | doub | 1.31Å | 1.34Å | |
| C3 | C16 | sing | 1.51Å | 1.51Å | |
| C50 | C33 | sing | 1.51Å | 1.51Å | |
| C35 | C30 | sing | 1.53Å | 1.53Å | |
| C33 | C30 | sing | 1.51Å | 1.51Å | |
| C16 | C42 | sing | 1.51Å | 1.51Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | 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 | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.08Å | 1.08Å | |
| C25 | H32 | sing | 1.08Å | 1.08Å | |
| C26 | H33 | sing | 1.08Å | 1.08Å | |
| C27 | H34 | sing | 1.08Å | 1.08Å | |
| C28 | H35 | sing | 1.08Å | 1.08Å | |
| C29 | H36 | sing | 1.08Å | 1.08Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.08Å | 1.08Å | |
| C34 | H40 | sing | 1.08Å | 1.08Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C40 | H43 | sing | 1.09Å | 1.10Å | |
| C40 | H44 | sing | 1.09Å | 1.10Å | |
| C40 | H45 | sing | 1.09Å | 1.10Å | |
| C41 | H46 | sing | 1.09Å | 1.10Å | |
| C41 | H47 | sing | 1.09Å | 1.10Å | |
| C41 | H48 | sing | 1.09Å | 1.10Å | |
| C42 | H49 | sing | 1.09Å | 1.10Å | |
| C42 | H50 | sing | 1.09Å | 1.10Å | |
| C42 | H51 | sing | 1.09Å | 1.10Å | |
| C43 | H52 | sing | 1.09Å | 1.10Å | |
| C43 | H53 | sing | 1.09Å | 1.10Å | |
| C43 | H54 | sing | 1.09Å | 1.10Å | |
| C44 | H55 | sing | 1.09Å | 1.10Å | |
| C44 | H56 | sing | 1.09Å | 1.10Å | |
| C44 | H57 | sing | 1.09Å | 1.10Å | |
| C45 | H58 | sing | 1.09Å | 1.10Å | |
| C45 | H59 | sing | 1.09Å | 1.10Å | |
| C45 | H60 | sing | 1.09Å | 1.10Å | |
| C46 | H61 | sing | 1.09Å | 1.10Å | |
| C46 | H62 | sing | 1.09Å | 1.10Å | |
| C46 | H63 | sing | 1.09Å | 1.10Å | |
| C47 | H64 | sing | 1.08Å | 1.08Å | |
| C49 | H65 | sing | 1.09Å | 1.10Å | |
| C49 | H66 | sing | 1.09Å | 1.10Å | |
| C50 | H67 | sing | 1.09Å | 1.10Å | |
| C50 | H68 | sing | 1.09Å | 1.10Å | |
| C50 | H69 | sing | 1.09Å | 1.10Å | |
| C51 | H70 | sing | 1.09Å | 1.10Å | |
| C51 | H71 | sing | 1.09Å | 1.10Å | |
| C51 | H72 | sing | 1.09Å | 1.10Å | |
| C52 | H73 | sing | 1.08Å | 1.08Å | |
| C53 | H74 | sing | 1.08Å | 1.08Å | |
| C54 | H75 | sing | 1.09Å | 1.10Å | |
| C54 | H76 | sing | 1.09Å | 1.10Å | |
| C55 | H77 | sing | 1.08Å | 1.08Å | |
| C56 | H78 | sing | 1.08Å | 1.08Å | |
| C57 | H79 | sing | 1.09Å | 1.10Å | |
| C57 | H80 | sing | 1.09Å | 1.10Å | |
| C57 | H81 | sing | 1.09Å | 1.10Å | |
| C58 | H82 | sing | 1.08Å | 1.08Å | |
| C60 | H83 | sing | 1.09Å | 1.10Å | |
| C60 | H84 | sing | 1.09Å | 1.10Å | |
| C60 | H85 | sing | 1.09Å | 1.10Å | |
| C61 | H86 | sing | 1.09Å | 1.10Å | |
| C61 | H87 | sing | 1.09Å | 1.10Å | |
| C61 | H88 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C53 | C56 | C55 | 120.2° | 120.4° |
| C56 | C53 | C38 | 120.0° | 119.8° |
| C56 | C53 | H74 | 120.0° | 120.1° |
| C53 | C56 | H78 | 119.9° | 119.7° |
| C56 | C55 | C52 | 120.2° | 120.5° |
| C56 | C55 | H77 | 119.9° | 119.8° |
| C55 | C56 | H78 | 119.9° | 119.8° |
| C53 | C38 | C39 | 120.0° | 120.9° |
| C53 | C38 | C36 | 119.9° | 119.8° |
| C38 | C53 | H74 | 120.0° | 120.1° |
| C55 | C52 | C36 | 120.0° | 119.8° |
| C55 | C52 | H73 | 120.0° | 120.1° |
| C52 | C55 | H77 | 119.9° | 119.8° |
| O2 | C39 | C38 | 120.7° | 120.1° |
| O2 | C39 | C31 | 120.3° | 120.1° |
| C39 | C38 | C36 | 120.1° | 119.3° |
| C38 | C39 | C31 | 119.1° | 119.8° |
| C38 | C36 | C52 | 119.8° | 119.7° |
| C38 | C36 | C37 | 120.2° | 119.3° |
| C39 | C31 | C51 | 117.7° | 119.6° |
| C39 | C31 | C19 | 120.6° | 120.9° |
| C52 | C36 | C37 | 120.0° | 120.9° |
| C36 | C52 | H73 | 120.0° | 120.1° |
| C36 | C37 | C19 | 119.3° | 119.8° |
| C36 | C37 | O1 | 120.6° | 120.1° |
| C51 | C31 | C19 | 121.7° | 119.5° |
| C31 | C51 | H70 | 109.5° | 109.5° |
| C31 | C51 | H71 | 109.4° | 109.5° |
| C31 | C51 | H72 | 109.5° | 109.5° |
| C31 | C19 | C37 | 120.5° | 120.9° |
| C31 | C19 | C22 | 122.8° | 119.6° |
| C60 | C59 | C61 | 114.6° | 120.0° |
| C60 | C59 | C58 | 122.6° | 120.0° |
| C59 | C60 | H83 | 109.5° | 109.5° |
| C59 | C60 | H84 | 109.5° | 109.5° |
| C59 | C60 | H85 | 109.5° | 109.4° |
| C43 | C17 | C26 | 123.3° | 120.0° |
| C43 | C17 | C4 | 114.7° | 120.0° |
| C17 | C43 | H52 | 109.5° | 109.5° |
| C17 | C43 | H53 | 109.5° | 109.5° |
| C17 | C43 | H54 | 109.4° | 109.5° |
| C19 | C37 | O1 | 120.1° | 120.1° |
| C37 | C19 | C22 | 116.6° | 119.6° |
| C61 | C59 | C58 | 122.8° | 120.0° |
| C59 | C61 | H86 | 109.5° | 109.5° |
| C59 | C61 | H87 | 109.5° | 109.5° |
| C59 | C61 | H88 | 109.5° | 109.5° |
| C19 | C22 | C32 | 114.0° | 109.5° |
| C19 | C22 | H29 | 108.3° | 109.5° |
| C19 | C22 | H30 | 108.3° | 109.4° |
| C59 | C58 | C54 | 128.1° | 120.0° |
| C59 | C58 | H82 | 115.9° | 120.0° |
| C17 | C26 | C8 | 129.6° | 120.0° |
| C26 | C17 | C4 | 121.9° | 120.0° |
| C17 | C26 | H33 | 115.2° | 120.0° |
| C26 | C8 | C2 | 115.7° | 109.5° |
| C26 | C8 | H9 | 107.9° | 109.5° |
| C26 | C8 | H10 | 107.9° | 109.5° |
| C8 | C26 | H33 | 115.2° | 119.9° |
| C17 | C4 | C10 | 110.5° | 109.5° |
| C17 | C4 | H1 | 109.2° | 109.4° |
| C17 | C4 | H2 | 109.2° | 109.4° |
| C22 | C32 | C23 | 127.2° | 120.0° |
| C32 | C22 | H29 | 108.3° | 109.5° |
| C32 | C22 | H30 | 108.3° | 109.5° |
| C22 | C32 | H39 | 116.4° | 120.0° |
| C58 | C54 | C49 | 112.8° | 109.5° |
| C58 | C54 | H75 | 108.6° | 109.5° |
| C58 | C54 | H76 | 108.6° | 109.5° |
| C54 | C58 | H82 | 115.9° | 120.0° |
| C8 | C2 | C13 | 114.4° | 109.5° |
| C2 | C8 | H9 | 107.9° | 109.5° |
| C2 | C8 | H10 | 107.9° | 109.5° |
| C8 | C2 | H17 | 108.2° | 109.4° |
| C8 | C2 | H18 | 108.3° | 109.5° |
| C4 | C10 | C29 | 119.0° | 109.5° |
| C10 | C4 | H1 | 109.2° | 109.5° |
| C10 | C4 | H2 | 109.2° | 109.5° |
| C4 | C10 | H11 | 107.0° | 109.5° |
| C4 | C10 | H12 | 107.1° | 109.5° |
| C10 | C29 | C21 | 129.2° | 120.0° |
| C29 | C10 | H11 | 107.0° | 109.5° |
| C29 | C10 | H12 | 107.1° | 109.4° |
| C10 | C29 | H36 | 115.4° | 120.0° |
| C32 | C23 | C46 | 123.7° | 120.0° |
| C32 | C23 | C11 | 121.3° | 120.0° |
| C23 | C32 | H39 | 116.4° | 119.9° |
| C54 | C49 | C48 | 114.0° | 109.5° |
| C54 | C49 | H65 | 108.3° | 109.5° |
| C54 | C49 | H66 | 108.4° | 109.5° |
| C49 | C54 | H75 | 108.6° | 109.5° |
| C49 | C54 | H76 | 108.6° | 109.4° |
| C2 | C13 | C41 | 115.4° | 120.0° |
| C2 | C13 | C24 | 120.7° | 120.0° |
| C13 | C2 | H17 | 108.3° | 109.5° |
| C13 | C2 | H18 | 108.2° | 109.5° |
| C29 | C21 | C45 | 124.6° | 120.0° |
| C29 | C21 | C15 | 120.7° | 120.0° |
| C21 | C29 | H36 | 115.4° | 120.0° |
| C41 | C13 | C24 | 123.9° | 120.0° |
| C13 | C41 | H46 | 109.5° | 109.4° |
| C13 | C41 | H47 | 109.5° | 109.5° |
| C13 | C41 | H48 | 109.5° | 109.5° |
| C46 | C23 | C11 | 115.0° | 120.0° |
| C23 | C46 | H61 | 109.5° | 109.5° |
| C23 | C46 | H62 | 109.5° | 109.5° |
| C23 | C46 | H63 | 109.5° | 109.5° |
| C23 | C11 | C14 | 112.9° | 109.5° |
| C23 | C11 | H13 | 108.6° | 109.5° |
| C23 | C11 | H14 | 108.6° | 109.5° |
| C13 | C24 | C6 | 128.3° | 120.0° |
| C13 | C24 | H31 | 115.9° | 120.0° |
| C49 | C48 | C57 | 115.1° | 120.0° |
| C49 | C48 | C47 | 121.2° | 120.0° |
| C48 | C49 | H65 | 108.3° | 109.5° |
| C48 | C49 | H66 | 108.3° | 109.5° |
| C57 | C48 | C47 | 123.7° | 120.0° |
| C48 | C57 | H79 | 109.5° | 109.5° |
| C48 | C57 | H80 | 109.5° | 109.4° |
| C48 | C57 | H81 | 109.4° | 109.5° |
| C24 | C6 | C1 | 107.7° | 109.5° |
| C24 | C6 | H5 | 109.9° | 109.5° |
| C24 | C6 | H6 | 109.9° | 109.4° |
| C6 | C24 | H31 | 115.9° | 120.0° |
| C40 | C12 | C1 | 115.1° | 120.0° |
| C40 | C12 | C25 | 124.0° | 120.0° |
| C12 | C40 | H43 | 109.5° | 109.5° |
| C12 | C40 | H44 | 109.5° | 109.5° |
| C12 | C40 | H45 | 109.4° | 109.5° |
| C12 | C1 | C6 | 115.9° | 109.5° |
| C1 | C12 | C25 | 120.9° | 120.0° |
| C12 | C1 | H15 | 107.8° | 109.4° |
| C12 | C1 | H16 | 107.9° | 109.4° |
| C1 | C6 | H5 | 109.9° | 109.5° |
| C1 | C6 | H6 | 109.9° | 109.5° |
| C6 | C1 | H15 | 107.9° | 109.5° |
| C6 | C1 | H16 | 107.8° | 109.5° |
| C45 | C21 | C15 | 114.6° | 120.0° |
| C21 | C45 | H58 | 109.5° | 109.5° |
| C21 | C45 | H59 | 109.4° | 109.5° |
| C21 | C45 | H60 | 109.5° | 109.5° |
| C21 | C15 | C20 | 108.1° | 109.5° |
| C21 | C15 | H25 | 109.8° | 109.5° |
| C21 | C15 | H26 | 109.8° | 109.5° |
| C48 | C47 | C35 | 128.5° | 120.0° |
| C48 | C47 | H64 | 115.8° | 120.0° |
| C11 | C14 | C28 | 111.8° | 109.5° |
| C14 | C11 | H13 | 108.6° | 109.5° |
| C14 | C11 | H14 | 108.6° | 109.5° |
| C11 | C14 | H21 | 108.9° | 109.4° |
| C11 | C14 | H22 | 108.9° | 109.5° |
| C12 | C25 | C7 | 128.1° | 120.0° |
| C12 | C25 | H32 | 116.0° | 120.0° |
| C18 | C5 | C9 | 115.9° | 109.5° |
| C5 | C18 | C28 | 121.1° | 120.0° |
| C5 | C18 | C44 | 115.1° | 120.0° |
| C18 | C5 | H3 | 107.8° | 109.5° |
| C18 | C5 | H4 | 107.9° | 109.5° |
| C5 | C9 | C27 | 113.9° | 109.5° |
| C9 | C5 | H3 | 107.9° | 109.4° |
| C9 | C5 | H4 | 107.9° | 109.5° |
| C5 | C9 | H19 | 108.3° | 109.5° |
| C5 | C9 | H20 | 108.4° | 109.5° |
| C15 | C20 | C34 | 118.1° | 109.5° |
| C20 | C15 | H25 | 109.8° | 109.5° |
| C20 | C15 | H26 | 109.8° | 109.4° |
| C15 | C20 | H27 | 107.3° | 109.4° |
| C15 | C20 | H28 | 107.3° | 109.5° |
| C20 | C34 | C33 | 129.2° | 120.0° |
| C34 | C20 | H27 | 107.3° | 109.4° |
| C34 | C20 | H28 | 107.2° | 109.5° |
| C20 | C34 | H40 | 115.4° | 119.9° |
| C14 | C28 | C18 | 127.9° | 120.0° |
| C28 | C14 | H21 | 108.9° | 109.5° |
| C28 | C14 | H22 | 108.9° | 109.5° |
| C14 | C28 | H35 | 116.0° | 120.0° |
| C28 | C18 | C44 | 123.8° | 120.0° |
| C18 | C28 | H35 | 116.0° | 120.0° |
| C25 | C7 | C3 | 112.2° | 109.5° |
| C25 | C7 | H7 | 108.8° | 109.5° |
| C25 | C7 | H8 | 108.8° | 109.5° |
| C7 | C25 | H32 | 116.0° | 120.0° |
| C18 | C44 | H55 | 109.5° | 109.5° |
| C18 | C44 | H56 | 109.5° | 109.5° |
| C18 | C44 | H57 | 109.4° | 109.5° |
| C9 | C27 | C16 | 128.4° | 120.0° |
| C27 | C9 | H19 | 108.3° | 109.5° |
| C27 | C9 | H20 | 108.3° | 109.4° |
| C9 | C27 | H34 | 115.8° | 120.0° |
| C27 | C16 | C3 | 120.9° | 120.0° |
| C27 | C16 | C42 | 124.0° | 120.0° |
| C16 | C27 | H34 | 115.8° | 120.0° |
| C7 | C3 | C16 | 112.1° | 109.5° |
| C3 | C7 | H7 | 108.8° | 109.5° |
| C3 | C7 | H8 | 108.8° | 109.4° |
| C7 | C3 | H23 | 108.8° | 109.4° |
| C7 | C3 | H24 | 108.8° | 109.5° |
| C47 | C35 | C30 | 113.1° | 109.5° |
| C47 | C35 | H41 | 108.6° | 109.5° |
| C47 | C35 | H42 | 108.6° | 109.5° |
| C35 | C47 | H64 | 115.8° | 120.0° |
| C34 | C33 | C50 | 124.6° | 120.0° |
| C34 | C33 | C30 | 120.7° | 120.0° |
| C33 | C34 | H40 | 115.4° | 120.1° |
| C3 | C16 | C42 | 115.1° | 120.0° |
| C16 | C3 | H23 | 108.8° | 109.4° |
| C16 | C3 | H24 | 108.8° | 109.5° |
| C50 | C33 | C30 | 114.8° | 120.0° |
| C33 | C50 | H67 | 109.5° | 109.5° |
| C33 | C50 | H68 | 109.5° | 109.5° |
| C33 | C50 | H69 | 109.4° | 109.5° |
| C35 | C30 | C33 | 111.1° | 109.5° |
| C35 | C30 | H37 | 109.1° | 109.5° |
| C35 | C30 | H38 | 109.1° | 109.5° |
| C30 | C35 | H41 | 108.6° | 109.5° |
| C30 | C35 | H42 | 108.6° | 109.4° |
| C33 | C30 | H37 | 109.0° | 109.4° |
| C33 | C30 | H38 | 109.1° | 109.5° |
| C16 | C42 | H49 | 109.5° | 109.5° |
| C16 | C42 | H50 | 109.5° | 109.5° |
| C16 | C42 | H51 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.4° | 109.5° |
| H5 | C6 | H6 | 109.4° | 109.5° |
| H7 | C7 | H8 | 109.4° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.4° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.4° |
| H15 | C1 | H16 | 109.5° | 109.5° |
| H17 | C2 | H18 | 109.5° | 109.5° |
| H19 | C9 | H20 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| H23 | C3 | H24 | 109.5° | 109.5° |
| H25 | C15 | H26 | 109.5° | 109.4° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| H29 | C22 | H30 | 109.5° | 109.5° |
| H37 | C30 | H38 | 109.4° | 109.5° |
| H41 | C35 | H42 | 109.4° | 109.4° |
| H43 | C40 | H44 | 109.5° | 109.5° |
| H43 | C40 | H45 | 109.5° | 109.5° |
| H44 | C40 | H45 | 109.5° | 109.5° |
| H46 | C41 | H47 | 109.5° | 109.4° |
| H46 | C41 | H48 | 109.4° | 109.5° |
| H47 | C41 | H48 | 109.5° | 109.5° |
| H49 | C42 | H50 | 109.4° | 109.4° |
| H49 | C42 | H51 | 109.5° | 109.5° |
| H50 | C42 | H51 | 109.4° | 109.5° |
| H52 | C43 | H53 | 109.4° | 109.4° |
| H52 | C43 | H54 | 109.5° | 109.5° |
| H53 | C43 | H54 | 109.5° | 109.6° |
| H55 | C44 | H56 | 109.5° | 109.5° |
| H55 | C44 | H57 | 109.5° | 109.4° |
| H56 | C44 | H57 | 109.5° | 109.4° |
| H58 | C45 | H59 | 109.5° | 109.4° |
| H58 | C45 | H60 | 109.5° | 109.5° |
| H59 | C45 | H60 | 109.5° | 109.4° |
| H61 | C46 | H62 | 109.5° | 109.5° |
| H61 | C46 | H63 | 109.5° | 109.4° |
| H62 | C46 | H63 | 109.5° | 109.5° |
| H65 | C49 | H66 | 109.5° | 109.4° |
| H67 | C50 | H68 | 109.4° | 109.4° |
| H67 | C50 | H69 | 109.5° | 109.5° |
| H68 | C50 | H69 | 109.5° | 109.5° |
| H70 | C51 | H71 | 109.5° | 109.4° |
| H70 | C51 | H72 | 109.4° | 109.5° |
| H71 | C51 | H72 | 109.5° | 109.5° |
| H75 | C54 | H76 | 109.5° | 109.5° |
| H79 | C57 | H80 | 109.5° | 109.5° |
| H79 | C57 | H81 | 109.5° | 109.5° |
| H80 | C57 | H81 | 109.5° | 109.5° |
| H83 | C60 | H84 | 109.4° | 109.5° |
| H83 | C60 | H85 | 109.5° | 109.5° |
| H84 | C60 | H85 | 109.5° | 109.5° |
| H86 | C61 | H87 | 109.5° | 109.5° |
| H86 | C61 | H88 | 109.4° | 109.5° |
| H87 | C61 | H88 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C53 | C56 | C55 | H78 | 180.0° | 179.3° |
| C56 | C53 | C38 | H74 | 180.0° | 179.9° |
| C53 | C56 | C55 | C52 | 0.0° | 0.7° |
| C56 | C53 | C38 | C39 | 180.0° | 180.0° |
| C56 | C53 | C38 | C36 | 0.0° | 0.3° |
| C53 | C56 | C55 | H77 | 180.0° | 179.7° |
| C55 | C56 | C53 | C38 | 0.0° | 0.7° |
| C56 | C55 | C52 | H77 | 180.0° | 179.6° |
| C56 | C55 | C52 | C36 | 0.1° | 0.4° |
| C56 | C55 | C52 | H73 | 179.9° | 179.6° |
| C55 | C56 | C53 | H74 | 180.0° | 179.4° |
| C53 | C38 | C39 | O2 | 1.4° | 0.2° |
| C53 | C38 | C39 | C36 | 180.0° | 179.8° |
| C53 | C38 | C39 | C31 | 178.3° | 180.0° |
| C53 | C38 | C36 | C52 | 0.0° | 0.1° |
| C53 | C38 | C36 | C37 | 180.0° | 180.0° |
| C38 | C53 | C56 | H78 | 179.9° | 180.0° |
| C55 | C52 | C36 | C38 | 0.1° | 0.0° |
| C55 | C52 | C36 | H73 | 180.0° | 180.0° |
| C55 | C52 | C36 | C37 | 179.9° | 180.0° |
| C52 | C55 | C56 | H78 | 180.0° | 179.9° |
| O2 | C39 | C38 | C31 | 179.7° | 179.8° |
| O2 | C39 | C38 | C36 | 178.6° | 180.0° |
| O2 | C39 | C31 | C51 | 5.1° | 0.2° |
| O2 | C39 | C31 | C19 | 175.3° | 179.7° |
| C39 | C38 | C36 | C52 | 179.9° | 179.7° |
| C39 | C38 | C36 | C37 | 0.1° | 0.3° |
| C38 | C39 | C31 | C51 | 174.7° | 180.0° |
| C38 | C39 | C31 | C19 | 4.9° | 0.1° |
| C39 | C38 | C53 | H74 | 0.1° | 0.0° |
| C36 | C38 | C39 | C31 | 1.6° | 0.2° |
| C38 | C36 | C52 | C37 | 180.0° | 180.0° |
| C38 | C36 | C37 | C19 | 1.3° | 0.0° |
| C38 | C36 | C37 | O1 | 178.4° | 180.0° |
| C38 | C36 | C52 | H73 | 179.9° | 180.0° |
| C36 | C38 | C53 | H74 | 180.0° | 179.8° |
| C39 | C31 | C51 | C19 | 179.6° | 179.9° |
| C39 | C31 | C19 | C37 | 6.4° | 0.4° |
| C39 | C31 | C19 | C22 | 175.7° | 180.0° |
| C39 | C31 | C51 | H70 | 180.0° | 90.0° |
| C39 | C31 | C51 | H71 | 60.0° | 30.0° |
| C39 | C31 | C51 | H72 | 60.0° | 150.0° |
| C52 | C36 | C37 | C19 | 178.8° | 180.0° |
| C52 | C36 | C37 | O1 | 1.6° | 0.1° |
| C36 | C52 | C55 | H77 | 179.9° | 180.0° |
| C36 | C37 | C19 | C31 | 4.5° | 0.3° |
| C36 | C37 | C19 | O1 | 179.7° | 180.0° |
| C36 | C37 | C19 | C22 | 177.4° | 180.0° |
| C37 | C36 | C52 | H73 | 0.1° | 0.1° |
| C51 | C31 | C19 | C37 | 173.2° | 179.7° |
| C51 | C31 | C19 | C22 | 4.7° | 0.1° |
| C31 | C51 | H70 | H71 | 120.0° | 120.0° |
| C31 | C51 | H70 | H72 | 120.0° | 120.0° |
| C31 | C51 | H71 | H72 | 120.0° | 120.0° |
| C31 | C19 | C37 | C22 | 178.1° | 179.7° |
| C31 | C19 | C37 | O1 | 175.1° | 179.7° |
| C31 | C19 | C22 | C32 | 79.0° | 95.0° |
| C31 | C19 | C22 | H29 | 160.3° | 144.9° |
| C31 | C19 | C22 | H30 | 41.6° | 25.0° |
| C19 | C31 | C51 | H70 | 0.4° | 90.1° |
| C19 | C31 | C51 | H71 | 119.6° | 150.0° |
| C19 | C31 | C51 | H72 | 120.4° | 30.0° |
| C60 | C59 | C61 | C58 | 179.5° | 180.0° |
| C60 | C59 | C58 | C54 | 1.4° | 6.5° |
| C60 | C59 | C58 | H82 | 178.6° | 173.5° |
| C59 | C60 | H83 | H84 | 120.0° | 120.0° |
| C59 | C60 | H83 | H85 | 120.0° | 119.9° |
| C59 | C60 | H84 | H85 | 120.0° | 120.0° |
| C60 | C59 | C61 | H86 | 180.0° | 90.0° |
| C60 | C59 | C61 | H87 | 60.0° | 30.0° |
| C60 | C59 | C61 | H88 | 60.0° | 150.0° |
| C43 | C17 | C26 | C4 | 177.8° | 179.9° |
| C43 | C17 | C26 | C8 | 176.3° | 175.1° |
| C43 | C17 | C4 | C10 | 54.9° | 84.0° |
| C43 | C17 | C4 | H1 | 175.1° | 36.1° |
| C43 | C17 | C4 | H2 | 65.2° | 156.0° |
| C43 | C17 | C26 | H33 | 3.7° | 5.0° |
| C17 | C43 | H52 | H53 | 120.0° | 120.0° |
| C17 | C43 | H52 | H54 | 120.0° | 120.0° |
| C17 | C43 | H53 | H54 | 120.0° | 120.0° |
| C37 | C19 | C22 | C32 | 102.9° | 85.3° |
| C37 | C19 | C22 | H29 | 17.7° | 34.8° |
| C37 | C19 | C22 | H30 | 136.4° | 154.7° |
| O1 | C37 | C19 | C22 | 3.0° | 0.0° |
| C61 | C59 | C58 | C54 | 178.0° | 173.5° |
| C61 | C59 | C58 | H82 | 2.0° | 6.5° |
| C61 | C59 | C60 | H83 | 180.0° | 95.4° |
| C61 | C59 | C60 | H84 | 60.0° | 24.6° |
| C61 | C59 | C60 | H85 | 60.0° | 144.6° |
| C59 | C61 | H86 | H87 | 120.0° | 120.0° |
| C59 | C61 | H86 | H88 | 120.0° | 120.0° |
| C59 | C61 | H87 | H88 | 120.0° | 120.0° |
| C19 | C22 | C32 | H29 | 120.7° | 120.0° |
| C19 | C22 | C32 | H30 | 120.6° | 120.0° |
| C19 | C22 | C32 | C23 | 114.2° | 123.5° |
| C19 | C22 | H29 | H30 | 118.0° | 120.0° |
| C19 | C22 | C32 | H39 | 65.8° | 56.5° |
| C59 | C58 | C54 | H82 | 180.0° | 180.0° |
| C59 | C58 | C54 | C49 | 176.2° | 126.9° |
| C59 | C58 | C54 | H75 | 55.7° | 113.1° |
| C59 | C58 | C54 | H76 | 63.3° | 7.0° |
| C58 | C59 | C60 | H83 | 0.5° | 84.6° |
| C58 | C59 | C60 | H84 | 120.5° | 155.4° |
| C58 | C59 | C60 | H85 | 119.5° | 35.3° |
| C58 | C59 | C61 | H86 | 0.5° | 90.0° |
| C58 | C59 | C61 | H87 | 119.5° | 150.0° |
| C58 | C59 | C61 | H88 | 120.5° | 30.0° |
| C17 | C26 | C8 | H33 | 180.0° | 179.9° |
| C17 | C26 | C8 | C2 | 67.6° | 127.2° |
| C26 | C17 | C4 | C10 | 123.0° | 96.0° |
| C26 | C17 | C4 | H1 | 2.9° | 144.0° |
| C26 | C17 | C4 | H2 | 116.8° | 24.1° |
| C17 | C26 | C8 | H9 | 53.3° | 7.1° |
| C17 | C26 | C8 | H10 | 171.5° | 112.9° |
| C26 | C17 | C43 | H52 | 180.0° | 90.1° |
| C26 | C17 | C43 | H53 | 60.0° | 29.9° |
| C26 | C17 | C43 | H54 | 60.0° | 150.0° |
| C8 | C26 | C17 | C4 | 1.5° | 4.8° |
| C26 | C8 | C2 | H9 | 120.9° | 120.1° |
| C26 | C8 | C2 | H10 | 120.9° | 120.0° |
| C26 | C8 | C2 | C13 | 158.6° | 180.0° |
| C26 | C8 | H9 | H10 | 117.2° | 120.0° |
| C26 | C8 | C2 | H17 | 37.9° | 60.0° |
| C26 | C8 | C2 | H18 | 80.6° | 60.0° |
| C17 | C4 | C10 | H1 | 120.1° | 120.0° |
| C17 | C4 | C10 | H2 | 120.2° | 120.0° |
| C17 | C4 | C10 | C29 | 169.5° | 180.0° |
| C17 | C4 | H1 | H2 | 119.5° | 119.9° |
| C17 | C4 | C10 | H11 | 69.2° | 60.0° |
| C17 | C4 | C10 | H12 | 48.1° | 60.0° |
| C4 | C17 | C26 | H33 | 178.5° | 175.1° |
| C4 | C17 | C43 | H52 | 2.1° | 90.0° |
| C4 | C17 | C43 | H53 | 122.1° | 150.0° |
| C4 | C17 | C43 | H54 | 117.9° | 29.9° |
| C22 | C32 | C23 | H39 | 180.0° | 180.0° |
| C22 | C32 | C23 | C46 | 3.9° | 6.9° |
| C22 | C32 | C23 | C11 | 177.3° | 173.1° |
| C32 | C22 | H29 | H30 | 118.0° | 120.0° |
| C58 | C54 | C49 | H75 | 120.5° | 120.0° |
| C58 | C54 | C49 | H76 | 120.5° | 120.0° |
| C58 | C54 | C49 | C48 | 169.6° | 180.0° |
| C58 | C54 | C49 | H65 | 48.9° | 60.0° |
| C58 | C54 | C49 | H66 | 69.8° | 60.0° |
| C58 | C54 | H75 | H76 | 118.5° | 120.0° |
| C8 | C2 | C13 | H17 | 120.7° | 119.9° |
| C8 | C2 | C13 | H18 | 120.7° | 120.0° |
| C8 | C2 | C13 | C41 | 8.5° | 85.0° |
| C8 | C2 | C13 | C24 | 172.4° | 95.0° |
| C2 | C8 | H9 | H10 | 117.2° | 120.0° |
| C8 | C2 | H17 | H18 | 117.8° | 120.0° |
| C2 | C8 | C26 | H33 | 112.4° | 52.9° |
| C4 | C10 | C29 | H11 | 121.3° | 120.0° |
| C4 | C10 | C29 | H12 | 121.4° | 120.1° |
| C4 | C10 | C29 | C21 | 60.9° | 123.1° |
| C10 | C4 | H1 | H2 | 119.5° | 120.1° |
| C4 | C10 | H11 | H12 | 115.7° | 120.1° |
| C4 | C10 | C29 | H36 | 119.1° | 56.9° |
| C10 | C29 | C21 | H36 | 180.0° | 180.0° |
| C10 | C29 | C21 | C45 | 7.5° | 1.5° |
| C10 | C29 | C21 | C15 | 171.4° | 178.5° |
| C29 | C10 | C4 | H1 | 49.3° | 60.0° |
| C29 | C10 | C4 | H2 | 70.4° | 60.0° |
| C29 | C10 | H11 | H12 | 115.7° | 119.9° |
| C32 | C23 | C46 | C11 | 178.9° | 180.0° |
| C32 | C23 | C11 | C14 | 113.4° | 95.0° |
| C32 | C23 | C11 | H13 | 7.1° | 25.0° |
| C32 | C23 | C11 | H14 | 126.1° | 145.0° |
| C23 | C32 | C22 | H29 | 6.5° | 3.5° |
| C23 | C32 | C22 | H30 | 125.2° | 116.5° |
| C32 | C23 | C46 | H61 | 180.0° | 83.9° |
| C32 | C23 | C46 | H62 | 60.0° | 36.2° |
| C32 | C23 | C46 | H63 | 60.0° | 156.2° |
| C54 | C49 | C48 | H65 | 120.7° | 120.1° |
| C54 | C49 | C48 | H66 | 120.7° | 120.0° |
| C54 | C49 | C48 | C57 | 0.5° | 85.7° |
| C54 | C49 | C48 | C47 | 179.6° | 94.3° |
| C54 | C49 | H65 | H66 | 118.0° | 120.0° |
| C49 | C54 | H75 | H76 | 118.5° | 120.0° |
| C49 | C54 | C58 | H82 | 3.8° | 53.0° |
| C2 | C13 | C41 | C24 | 179.1° | 180.0° |
| C2 | C13 | C24 | C6 | 172.7° | 178.6° |
| C13 | C2 | C8 | H9 | 80.4° | 59.9° |
| C13 | C2 | C8 | H10 | 37.8° | 60.1° |
| C13 | C2 | H17 | H18 | 117.8° | 120.1° |
| C2 | C13 | C24 | H31 | 7.3° | 1.4° |
| C2 | C13 | C41 | H46 | 180.0° | 96.2° |
| C2 | C13 | C41 | H47 | 60.0° | 23.7° |
| C2 | C13 | C41 | H48 | 60.0° | 143.8° |
| C29 | C21 | C45 | C15 | 179.0° | 180.0° |
| C29 | C21 | C15 | C20 | 69.4° | 95.0° |
| C21 | C29 | C10 | H11 | 177.7° | 3.1° |
| C21 | C29 | C10 | H12 | 60.4° | 116.8° |
| C29 | C21 | C15 | H25 | 170.8° | 25.0° |
| C29 | C21 | C15 | H26 | 50.4° | 145.0° |
| C29 | C21 | C45 | H58 | 180.0° | 90.7° |
| C29 | C21 | C45 | H59 | 60.0° | 29.3° |
| C29 | C21 | C45 | H60 | 60.0° | 149.3° |
| C41 | C13 | C24 | C6 | 8.3° | 1.4° |
| C41 | C13 | C2 | H17 | 129.2° | 155.0° |
| C41 | C13 | C2 | H18 | 112.3° | 35.0° |
| C41 | C13 | C24 | H31 | 171.7° | 178.6° |
| C13 | C41 | H46 | H47 | 120.0° | 120.0° |
| C13 | C41 | H46 | H48 | 120.0° | 120.0° |
| C13 | C41 | H47 | H48 | 120.0° | 120.0° |
| C46 | C23 | C11 | C14 | 67.7° | 85.0° |
| C46 | C23 | C11 | H13 | 171.8° | 155.0° |
| C46 | C23 | C11 | H14 | 52.8° | 35.0° |
| C46 | C23 | C32 | H39 | 176.1° | 173.1° |
| C23 | C46 | H61 | H62 | 120.0° | 120.1° |
| C23 | C46 | H61 | H63 | 120.0° | 120.0° |
| C23 | C46 | H62 | H63 | 120.0° | 120.0° |
| C23 | C11 | C14 | H13 | 120.5° | 120.0° |
| C23 | C11 | C14 | H14 | 120.5° | 120.0° |
| C23 | C11 | C14 | C28 | 67.7° | 180.0° |
| C23 | C11 | H13 | H14 | 118.4° | 120.0° |
| C23 | C11 | C14 | H21 | 171.9° | 60.0° |
| C23 | C11 | C14 | H22 | 52.7° | 60.0° |
| C11 | C23 | C32 | H39 | 2.7° | 6.9° |
| C11 | C23 | C46 | H61 | 1.1° | 96.1° |
| C11 | C23 | C46 | H62 | 118.9° | 143.8° |
| C11 | C23 | C46 | H63 | 121.1° | 23.8° |
| C13 | C24 | C6 | H31 | 180.0° | 180.0° |
| C13 | C24 | C6 | C1 | 121.7° | 119.3° |
| C13 | C24 | C6 | H5 | 118.5° | 0.7° |
| C13 | C24 | C6 | H6 | 2.0° | 120.7° |
| C24 | C13 | C2 | H17 | 51.7° | 25.0° |
| C24 | C13 | C2 | H18 | 66.9° | 145.0° |
| C24 | C13 | C41 | H46 | 0.9° | 83.7° |
| C24 | C13 | C41 | H47 | 119.1° | 156.3° |
| C24 | C13 | C41 | H48 | 120.9° | 36.2° |
| C49 | C48 | C57 | C47 | 179.9° | 180.0° |
| C49 | C48 | C47 | C35 | 2.3° | 5.4° |
| C49 | C48 | C47 | H64 | 177.7° | 174.6° |
| C48 | C49 | H65 | H66 | 117.9° | 120.0° |
| C48 | C49 | C54 | H75 | 69.9° | 60.0° |
| C48 | C49 | C54 | H76 | 49.0° | 60.0° |
| C49 | C48 | C57 | H79 | 180.0° | 90.0° |
| C49 | C48 | C57 | H80 | 60.0° | 30.0° |
| C49 | C48 | C57 | H81 | 60.0° | 150.0° |
| C57 | C48 | C47 | C35 | 177.6° | 174.5° |
| C57 | C48 | C47 | H64 | 2.4° | 5.4° |
| C57 | C48 | C49 | H65 | 121.2° | 34.4° |
| C57 | C48 | C49 | H66 | 120.1° | 154.3° |
| C48 | C57 | H79 | H80 | 120.0° | 119.9° |
| C48 | C57 | H79 | H81 | 120.0° | 120.0° |
| C48 | C57 | H80 | H81 | 120.0° | 120.0° |
| C24 | C6 | C1 | C12 | 167.3° | 180.0° |
| C24 | C6 | C1 | H5 | 119.8° | 120.0° |
| C24 | C6 | C1 | H6 | 119.7° | 120.0° |
| C24 | C6 | H5 | H6 | 120.8° | 120.0° |
| C24 | C6 | C1 | H15 | 71.8° | 60.0° |
| C24 | C6 | C1 | H16 | 46.3° | 60.0° |
| C40 | C12 | C1 | C25 | 179.5° | 179.9° |
| C40 | C12 | C1 | C6 | 60.5° | 85.0° |
| C40 | C12 | C25 | C7 | 2.0° | 6.4° |
| C40 | C12 | C1 | H15 | 178.6° | 155.0° |
| C40 | C12 | C1 | H16 | 60.4° | 35.0° |
| C40 | C12 | C25 | H32 | 178.0° | 173.6° |
| C12 | C40 | H43 | H44 | 120.0° | 120.0° |
| C12 | C40 | H43 | H45 | 120.0° | 120.0° |
| C12 | C40 | H44 | H45 | 120.0° | 120.0° |
| C12 | C1 | C6 | H15 | 120.9° | 120.0° |
| C12 | C1 | C6 | H16 | 120.9° | 120.0° |
| C1 | C12 | C25 | C7 | 177.5° | 173.5° |
| C12 | C1 | C6 | H5 | 73.0° | 60.0° |
| C12 | C1 | C6 | H6 | 47.5° | 60.0° |
| C12 | C1 | H15 | H16 | 117.1° | 119.9° |
| C1 | C12 | C25 | H32 | 2.5° | 6.5° |
| C1 | C12 | C40 | H43 | 180.0° | 95.3° |
| C1 | C12 | C40 | H44 | 60.0° | 144.7° |
| C1 | C12 | C40 | H45 | 60.0° | 24.7° |
| C6 | C1 | C12 | C25 | 120.0° | 95.0° |
| C1 | C6 | H5 | H6 | 120.8° | 120.1° |
| C6 | C1 | H15 | H16 | 117.1° | 120.0° |
| C1 | C6 | C24 | H31 | 58.3° | 60.7° |
| C45 | C21 | C15 | C20 | 109.6° | 85.0° |
| C45 | C21 | C15 | H25 | 10.2° | 155.0° |
| C45 | C21 | C15 | H26 | 130.6° | 35.0° |
| C45 | C21 | C29 | H36 | 172.5° | 178.5° |
| C21 | C45 | H58 | H59 | 120.0° | 120.0° |
| C21 | C45 | H58 | H60 | 120.0° | 120.1° |
| C21 | C45 | H59 | H60 | 120.0° | 120.0° |
| C21 | C15 | C20 | H25 | 119.8° | 120.1° |
| C21 | C15 | C20 | H26 | 119.8° | 120.0° |
| C21 | C15 | C20 | C34 | 137.7° | 180.0° |
| C21 | C15 | H25 | H26 | 120.6° | 120.1° |
| C21 | C15 | C20 | H27 | 101.0° | 60.0° |
| C21 | C15 | C20 | H28 | 16.5° | 59.9° |
| C15 | C21 | C29 | H36 | 8.5° | 1.5° |
| C15 | C21 | C45 | H58 | 1.0° | 89.3° |
| C15 | C21 | C45 | H59 | 119.0° | 150.7° |
| C15 | C21 | C45 | H60 | 121.0° | 30.8° |
| C48 | C47 | C35 | H64 | 180.0° | 179.9° |
| C48 | C47 | C35 | C30 | 102.1° | 118.7° |
| C48 | C47 | C35 | H41 | 18.4° | 1.3° |
| C48 | C47 | C35 | H42 | 137.3° | 121.3° |
| C47 | C48 | C49 | H65 | 58.9° | 145.7° |
| C47 | C48 | C49 | H66 | 59.7° | 25.7° |
| C47 | C48 | C57 | H79 | 0.2° | 90.0° |
| C47 | C48 | C57 | H80 | 119.9° | 150.0° |
| C47 | C48 | C57 | H81 | 120.1° | 30.0° |
| C11 | C14 | C28 | H21 | 120.3° | 120.0° |
| C11 | C14 | C28 | H22 | 120.3° | 120.0° |
| C11 | C14 | C28 | C18 | 123.6° | 123.3° |
| C14 | C11 | H13 | H14 | 118.4° | 120.0° |
| C11 | C14 | H21 | H22 | 118.9° | 120.0° |
| C11 | C14 | C28 | H35 | 56.3° | 56.8° |
| C12 | C25 | C7 | H32 | 180.0° | 180.0° |
| C12 | C25 | C7 | C3 | 178.9° | 122.4° |
| C12 | C25 | C7 | H7 | 60.7° | 2.3° |
| C12 | C25 | C7 | H8 | 58.4° | 117.7° |
| C25 | C12 | C1 | H15 | 1.0° | 25.0° |
| C25 | C12 | C1 | H16 | 119.1° | 145.0° |
| C25 | C12 | C40 | H43 | 0.5° | 84.7° |
| C25 | C12 | C40 | H44 | 120.5° | 35.3° |
| C25 | C12 | C40 | H45 | 119.5° | 155.3° |
| C18 | C5 | C9 | H3 | 120.9° | 120.0° |
| C18 | C5 | C9 | H4 | 121.0° | 120.1° |
| C5 | C18 | C28 | C14 | 177.1° | 173.4° |
| C5 | C18 | C28 | C44 | 179.8° | 179.9° |
| C18 | C5 | C9 | C27 | 71.7° | NaN° |
| C18 | C5 | H3 | H4 | 117.1° | 120.0° |
| C18 | C5 | C9 | H19 | 167.7° | 59.9° |
| C18 | C5 | C9 | H20 | 49.0° | 60.0° |
| C5 | C18 | C28 | H35 | 2.9° | 6.7° |
| C5 | C18 | C44 | H55 | 180.0° | 96.0° |
| C5 | C18 | C44 | H56 | 60.0° | 143.9° |
| C5 | C18 | C44 | H57 | 60.0° | 24.0° |
| C9 | C5 | C18 | C28 | 122.7° | 94.9° |
| C9 | C5 | C18 | C44 | 57.4° | 85.0° |
| C5 | C9 | C27 | H19 | 120.7° | 120.0° |
| C5 | C9 | C27 | H20 | 120.7° | 120.0° |
| C5 | C9 | C27 | C16 | 129.3° | 123.2° |
| C9 | C5 | H3 | H4 | 117.1° | 120.0° |
| C5 | C9 | H19 | H20 | 118.0° | 120.0° |
| C5 | C9 | C27 | H34 | 50.7° | 56.8° |
| C15 | C20 | C34 | H27 | 121.2° | 120.0° |
| C15 | C20 | C34 | H28 | 121.3° | 120.1° |
| C15 | C20 | C34 | C33 | 61.2° | 123.1° |
| C20 | C15 | H25 | H26 | 120.7° | 119.9° |
| C15 | C20 | H27 | H28 | 116.1° | 120.0° |
| C15 | C20 | C34 | H40 | 118.8° | 56.8° |
| C20 | C34 | C33 | H40 | 180.0° | 179.9° |
| C20 | C34 | C33 | C50 | 7.3° | 6.6° |
| C20 | C34 | C33 | C30 | 172.5° | 173.4° |
| C34 | C20 | C15 | H25 | 17.9° | 59.9° |
| C34 | C20 | C15 | H26 | 102.5° | 60.0° |
| C34 | C20 | H27 | H28 | 116.0° | 120.0° |
| C14 | C28 | C18 | H35 | 180.0° | 179.9° |
| C14 | C28 | C18 | C44 | 2.7° | 6.5° |
| C28 | C14 | C11 | H13 | 52.8° | 60.0° |
| C28 | C14 | C11 | H14 | 171.8° | 60.0° |
| C28 | C14 | H21 | H22 | 119.0° | 120.0° |
| C28 | C18 | C5 | H3 | 1.8° | 25.0° |
| C28 | C18 | C5 | H4 | 116.3° | 145.0° |
| C18 | C28 | C14 | H21 | 3.3° | 3.3° |
| C18 | C28 | C14 | H22 | 116.0° | 116.8° |
| C28 | C18 | C44 | H55 | 0.1° | 83.9° |
| C28 | C18 | C44 | H56 | 120.1° | 36.1° |
| C28 | C18 | C44 | H57 | 119.9° | 156.1° |
| C25 | C7 | C3 | H7 | 120.4° | 120.1° |
| C25 | C7 | C3 | H8 | 120.4° | 120.0° |
| C25 | C7 | C3 | C16 | 169.4° | NaN° |
| C25 | C7 | H7 | H8 | 118.7° | 120.0° |
| C25 | C7 | C3 | H23 | 49.0° | 60.1° |
| C25 | C7 | C3 | H24 | 70.2° | 59.9° |
| C44 | C18 | C5 | H3 | 178.4° | 155.1° |
| C44 | C18 | C5 | H4 | 63.5° | 35.1° |
| C44 | C18 | C28 | H35 | 177.3° | 173.4° |
| C18 | C44 | H55 | H56 | 120.0° | 120.1° |
| C18 | C44 | H55 | H57 | 120.0° | 120.1° |
| C18 | C44 | H56 | H57 | 120.0° | 120.0° |
| C9 | C27 | C16 | H34 | 180.0° | 180.0° |
| C9 | C27 | C16 | C3 | 179.0° | 173.4° |
| C9 | C27 | C16 | C42 | 0.1° | 6.6° |
| C27 | C9 | C5 | H3 | 49.3° | 60.0° |
| C27 | C9 | C5 | H4 | 167.4° | 59.9° |
| C27 | C9 | H19 | H20 | 118.0° | 120.0° |
| C27 | C16 | C3 | C7 | 66.5° | 95.0° |
| C27 | C16 | C3 | C42 | 179.2° | 180.0° |
| C16 | C27 | C9 | H19 | 110.0° | 3.2° |
| C16 | C27 | C9 | H20 | 8.6° | 116.8° |
| C27 | C16 | C3 | H23 | 53.9° | 25.0° |
| C27 | C16 | C3 | H24 | 173.0° | 145.0° |
| C27 | C16 | C42 | H49 | 180.0° | 88.1° |
| C27 | C16 | C42 | H50 | 60.0° | 31.8° |
| C27 | C16 | C42 | H51 | 60.0° | 151.9° |
| C7 | C3 | C16 | H23 | 120.4° | 119.9° |
| C7 | C3 | C16 | H24 | 120.4° | 120.0° |
| C7 | C3 | C16 | C42 | 112.6° | 85.1° |
| C3 | C7 | H7 | H8 | 118.8° | 119.9° |
| C7 | C3 | H23 | H24 | 118.8° | 120.0° |
| C3 | C7 | C25 | H32 | 1.1° | 57.6° |
| C47 | C35 | C30 | H41 | 120.6° | 120.0° |
| C47 | C35 | C30 | H42 | 120.6° | 120.0° |
| C47 | C35 | C30 | C33 | 66.3° | 180.0° |
| C47 | C35 | C30 | H37 | 173.5° | 60.0° |
| C47 | C35 | C30 | H38 | 54.0° | 60.0° |
| C47 | C35 | H41 | H42 | 118.4° | 120.0° |
| C34 | C33 | C50 | C30 | 179.8° | 180.0° |
| C34 | C33 | C30 | C35 | 70.4° | 95.0° |
| C33 | C34 | C20 | H27 | 177.5° | 3.2° |
| C33 | C34 | C20 | H28 | 60.0° | 116.8° |
| C34 | C33 | C30 | H37 | 49.9° | 145.0° |
| C34 | C33 | C30 | H38 | 169.3° | 25.0° |
| C34 | C33 | C50 | H67 | 180.0° | 88.1° |
| C34 | C33 | C50 | H68 | 60.0° | 31.8° |
| C34 | C33 | C50 | H69 | 60.0° | 151.8° |
| C16 | C3 | C7 | H7 | 70.2° | 59.9° |
| C16 | C3 | C7 | H8 | 49.0° | 60.0° |
| C16 | C3 | H23 | H24 | 118.8° | 120.0° |
| C3 | C16 | C27 | H34 | 1.0° | 6.6° |
| C3 | C16 | C42 | H49 | 0.8° | 91.9° |
| C3 | C16 | C42 | H50 | 119.2° | 148.1° |
| C3 | C16 | C42 | H51 | 120.9° | 28.1° |
| C50 | C33 | C30 | C35 | 109.4° | 85.0° |
| C50 | C33 | C30 | H37 | 130.3° | 35.0° |
| C50 | C33 | C30 | H38 | 10.8° | 155.0° |
| C50 | C33 | C34 | H40 | 172.7° | 173.4° |
| C33 | C50 | H67 | H68 | 120.0° | 119.9° |
| C33 | C50 | H67 | H69 | 120.0° | 120.1° |
| C33 | C50 | H68 | H69 | 120.0° | 120.0° |
| C35 | C30 | C33 | H37 | 120.3° | 120.0° |
| C35 | C30 | C33 | H38 | 120.3° | 120.0° |
| C35 | C30 | H37 | H38 | 119.2° | 120.0° |
| C30 | C35 | H41 | H42 | 118.3° | 119.9° |
| C30 | C35 | C47 | H64 | 77.8° | 61.3° |
| C33 | C30 | H37 | H38 | 119.2° | 120.0° |
| C30 | C33 | C34 | H40 | 7.5° | 6.6° |
| C33 | C30 | C35 | H41 | 54.3° | 60.0° |
| C33 | C30 | C35 | H42 | 173.1° | 60.0° |
| C30 | C33 | C50 | H67 | 0.2° | 91.9° |
| C30 | C33 | C50 | H68 | 119.8° | 148.2° |
| C30 | C33 | C50 | H69 | 120.2° | 28.2° |
| C42 | C16 | C3 | H23 | 127.0° | 155.0° |
| C42 | C16 | C3 | H24 | 7.8° | 35.0° |
| C42 | C16 | C27 | H34 | 179.9° | 173.4° |
| C16 | C42 | H49 | H50 | 120.0° | 120.0° |
| C16 | C42 | H49 | H51 | 120.0° | 120.1° |
| C16 | C42 | H50 | H51 | 120.0° | 120.1° |
| H1 | C4 | C10 | H11 | 170.7° | 60.0° |
| H1 | C4 | C10 | H12 | 72.1° | 180.0° |
| H2 | C4 | C10 | H11 | 51.0° | 180.0° |
| H2 | C4 | C10 | H12 | 168.3° | 60.0° |
| H3 | C5 | C9 | H19 | 71.4° | 60.0° |
| H3 | C5 | C9 | H20 | 169.9° | 180.0° |
| H4 | C5 | C9 | H19 | 46.7° | 180.0° |
| H4 | C5 | C9 | H20 | 71.9° | 60.0° |
| H5 | C6 | C1 | H15 | 47.9° | 60.0° |
| H5 | C6 | C1 | H16 | 166.1° | 180.0° |
| H5 | C6 | C24 | H31 | 61.4° | 179.3° |
| H6 | C6 | C1 | H15 | 168.4° | 180.0° |
| H6 | C6 | C1 | H16 | 73.4° | 60.0° |
| H6 | C6 | C24 | H31 | 178.0° | 59.3° |
| H7 | C7 | C3 | H23 | 169.4° | 60.0° |
| H7 | C7 | C3 | H24 | 50.2° | NaN° |
| H7 | C7 | C25 | H32 | 119.3° | 177.7° |
| H8 | C7 | C3 | H23 | 71.4° | 179.9° |
| H8 | C7 | C3 | H24 | 169.4° | 60.0° |
| H8 | C7 | C25 | H32 | 121.6° | 62.3° |
| H9 | C8 | C2 | H17 | 158.8° | 60.0° |
| H9 | C8 | C2 | H18 | 40.3° | 180.0° |
| H9 | C8 | C26 | H33 | 126.7° | 173.0° |
| H10 | C8 | C2 | H17 | 83.0° | 180.0° |
| H10 | C8 | C2 | H18 | 158.5° | 60.0° |
| H10 | C8 | C26 | H33 | 8.5° | 67.1° |
| H11 | C10 | C29 | H36 | 2.2° | 176.9° |
| H12 | C10 | C29 | H36 | 119.5° | 63.2° |
| H13 | C11 | C14 | H21 | 67.6° | 60.1° |
| H13 | C11 | C14 | H22 | 173.2° | 179.9° |
| H14 | C11 | C14 | H21 | 51.4° | 180.0° |
| H14 | C11 | C14 | H22 | 67.9° | 60.0° |
| H19 | C9 | C27 | H34 | 70.0° | 176.8° |
| H20 | C9 | C27 | H34 | 171.4° | 63.2° |
| H21 | C14 | C28 | H35 | 176.7° | 176.8° |
| H22 | C14 | C28 | H35 | 64.0° | 63.2° |
| H25 | C15 | C20 | H27 | 139.2° | 60.0° |
| H25 | C15 | C20 | H28 | 103.3° | NaN° |
| H26 | C15 | C20 | H27 | 18.7° | 180.0° |
| H26 | C15 | C20 | H28 | 136.2° | 60.1° |
| H27 | C20 | C34 | H40 | 2.4° | 176.8° |
| H28 | C20 | C34 | H40 | 119.9° | 63.2° |
| H29 | C22 | C32 | H39 | 173.6° | 176.5° |
| H30 | C22 | C32 | H39 | 54.9° | 63.5° |
| H37 | C30 | C35 | H41 | 66.0° | 179.9° |
| H37 | C30 | C35 | H42 | 52.9° | 60.0° |
| H38 | C30 | C35 | H41 | 174.6° | 60.0° |
| H38 | C30 | C35 | H42 | 66.6° | 180.0° |
| H41 | C35 | C47 | H64 | 161.6° | 178.6° |
| H42 | C35 | C47 | H64 | 42.7° | 58.6° |
| H43 | C40 | H44 | H45 | 120.0° | 120.0° |
| H46 | C41 | H47 | H48 | 120.0° | 120.0° |
| H49 | C42 | H50 | H51 | 120.0° | 120.0° |
| H52 | C43 | H53 | H54 | 120.0° | 120.0° |
| H55 | C44 | H56 | H57 | 120.0° | 119.9° |
| H58 | C45 | H59 | H60 | 120.0° | 120.0° |
| H61 | C46 | H62 | H63 | 120.0° | 120.0° |
| H65 | C49 | C54 | H75 | 169.4° | 180.0° |
| H65 | C49 | C54 | H76 | 71.6° | 60.0° |
| H66 | C49 | C54 | H75 | 50.7° | 60.0° |
| H66 | C49 | C54 | H76 | 169.7° | 179.9° |
| H67 | C50 | H68 | H69 | 120.0° | 120.0° |
| H70 | C51 | H71 | H72 | 120.0° | 120.0° |
| H73 | C52 | C55 | H77 | 0.1° | 0.0° |
| H74 | C53 | C56 | H78 | 0.0° | 0.1° |
| H75 | C54 | C58 | H82 | 124.3° | 67.0° |
| H76 | C54 | C58 | H82 | 116.7° | 173.0° |
| H77 | C55 | C56 | H78 | 0.0° | 0.3° |
| H79 | C57 | H80 | H81 | 120.0° | 120.0° |
| H83 | C60 | H84 | H85 | 120.0° | 120.0° |
| H86 | C61 | H87 | H88 | 119.9° | 120.0° |
