F39
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C52 | C45 | sing | 1.51Å | 1.61Å | |
| C56 | C58 | sing | 1.41Å | 1.61Å | |
| C56 | C53 | doub | 1.36Å | 1.62Å | |
| C58 | C60 | sing | 1.51Å | 1.59Å | |
| C58 | C61 | doub | 1.36Å | 1.62Å | |
| C65 | C62 | sing | 1.51Å | 1.58Å | |
| C54 | C47 | sing | 1.51Å | 1.61Å | |
| C45 | C47 | doub | 1.38Å | 1.46Å | Aromatic |
| C45 | C46 | sing | 1.40Å | 1.46Å | Aromatic |
| C63 | C61 | sing | 1.40Å | 1.63Å | |
| C63 | C64 | doub | 1.38Å | 1.64Å | |
| C47 | C49 | sing | 1.38Å | 1.46Å | Aromatic |
| C53 | C46 | sing | 1.47Å | 1.63Å | |
| C46 | C48 | doub | 1.40Å | 1.46Å | Aromatic |
| C62 | C64 | sing | 1.40Å | 1.62Å | |
| C62 | C59 | doub | 1.38Å | 1.61Å | |
| C49 | C50 | doub | 1.38Å | 1.47Å | Aromatic |
| C48 | C50 | sing | 1.38Å | 1.46Å | Aromatic |
| C48 | C55 | sing | 1.51Å | 1.61Å | |
| C59 | C57 | sing | 1.40Å | 1.64Å | |
| C57 | C51 | doub | 1.38Å | 1.63Å | |
| C44 | C51 | sing | 1.40Å | 1.64Å | |
| C44 | C42 | doub | 1.38Å | 1.62Å | |
| O7 | C21 | doub | 1.21Å | 1.24Å | |
| C41 | C42 | sing | 1.40Å | 1.62Å | |
| C41 | C40 | doub | 1.38Å | 1.65Å | |
| C42 | C43 | sing | 1.51Å | 1.58Å | |
| C21 | O6 | sing | 1.34Å | 1.49Å | |
| C21 | C22 | sing | 1.51Å | 1.62Å | |
| O6 | C15 | sing | 1.45Å | 1.49Å | |
| C25 | C20 | sing | 1.51Å | 1.58Å | |
| C39 | C40 | sing | 1.40Å | 1.64Å | |
| C39 | C37 | doub | 1.37Å | 1.65Å | |
| C24 | C26 | sing | 1.53Å | 1.62Å | |
| C24 | C23 | sing | 1.53Å | 1.62Å | |
| C26 | C28 | sing | 1.53Å | 1.62Å | |
| C16 | C13 | sing | 1.53Å | 1.61Å | |
| C23 | C22 | sing | 1.53Å | 1.62Å | |
| C35 | C37 | sing | 1.41Å | 1.64Å | |
| C35 | C32 | doub | 1.36Å | 1.65Å | |
| O3 | C8 | sing | 1.43Å | 1.53Å | |
| C37 | C38 | sing | 1.51Å | 1.60Å | |
| C15 | C12 | sing | 1.53Å | 1.56Å | |
| O1 | C11 | sing | 1.43Å | 1.55Å | |
| O1 | C12 | sing | 1.43Å | 1.55Å | |
| C20 | C27 | doub | 1.34Å | 1.61Å | |
| C20 | C19 | sing | 1.51Å | 1.63Å | |
| C17 | C13 | sing | 1.53Å | 1.61Å | |
| C27 | C32 | sing | 1.42Å | 1.64Å | |
| C28 | C29 | sing | 1.53Å | 1.62Å | |
| C19 | C18 | sing | 1.53Å | 1.66Å | |
| C18 | C14 | sing | 1.53Å | 1.65Å | |
| C11 | O2 | sing | 1.43Å | 1.44Å | |
| C11 | C9 | sing | 1.53Å | 1.60Å | |
| C13 | O2 | sing | 1.43Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.65Å | |
| C12 | C10 | sing | 1.53Å | 1.60Å | |
| C30 | C29 | sing | 1.53Å | 1.62Å | |
| C30 | C31 | sing | 1.53Å | 1.62Å | |
| C10 | C8 | sing | 1.53Å | 1.55Å | |
| C10 | O5 | sing | 1.43Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.57Å | |
| C9 | O4 | sing | 1.43Å | 1.50Å | |
| C31 | C33 | sing | 1.53Å | 1.62Å | |
| C33 | C34 | sing | 1.53Å | 1.62Å | |
| C34 | C36 | sing | 1.53Å | 1.61Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.08Å | 1.08Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| C34 | H46 | sing | 1.09Å | 1.10Å | |
| C34 | H47 | sing | 1.09Å | 1.10Å | |
| C35 | H48 | sing | 1.08Å | 1.08Å | |
| C36 | H50 | sing | 1.09Å | 1.10Å | |
| C36 | H51 | sing | 1.09Å | 1.10Å | |
| C36 | H52 | sing | 1.09Å | 1.10Å | |
| C38 | H54 | sing | 1.09Å | 1.10Å | |
| C38 | H55 | sing | 1.09Å | 1.10Å | |
| C38 | H56 | sing | 1.09Å | 1.10Å | |
| C39 | H57 | sing | 1.08Å | 1.08Å | |
| C40 | H59 | sing | 1.08Å | 1.08Å | |
| C41 | H61 | sing | 1.08Å | 1.08Å | |
| C43 | H64 | sing | 1.09Å | 1.10Å | |
| C43 | H65 | sing | 1.09Å | 1.10Å | |
| C43 | H66 | sing | 1.09Å | 1.10Å | |
| C44 | H67 | sing | 1.08Å | 1.08Å | |
| C49 | H69 | sing | 1.08Å | 1.08Å | |
| C50 | H70 | sing | 1.08Å | 1.08Å | |
| C51 | H71 | sing | 1.08Å | 1.08Å | |
| C52 | H73 | sing | 1.09Å | 1.10Å | |
| C52 | H74 | sing | 1.09Å | 1.10Å | |
| C52 | H75 | sing | 1.09Å | 1.10Å | |
| C53 | H76 | sing | 1.08Å | 1.08Å | |
| C54 | H78 | sing | 1.09Å | 1.10Å | |
| C54 | H79 | sing | 1.09Å | 1.10Å | |
| C54 | H80 | sing | 1.09Å | 1.10Å | |
| C55 | H81 | sing | 1.09Å | 1.10Å | |
| C55 | H82 | sing | 1.09Å | 1.10Å | |
| C55 | H83 | sing | 1.09Å | 1.10Å | |
| C56 | H84 | sing | 1.08Å | 1.08Å | |
| C57 | H86 | sing | 1.08Å | 1.08Å | |
| C59 | H89 | sing | 1.08Å | 1.08Å | |
| C60 | H91 | sing | 1.09Å | 1.10Å | |
| C60 | H92 | sing | 1.09Å | 1.10Å | |
| C60 | H93 | sing | 1.09Å | 1.10Å | |
| C61 | H94 | sing | 1.08Å | 1.08Å | |
| C63 | H97 | sing | 1.08Å | 1.08Å | |
| C64 | H99 | sing | 1.08Å | 1.08Å | |
| C65 | H101 | sing | 1.09Å | 1.10Å | |
| C65 | H102 | sing | 1.09Å | 1.10Å | |
| C65 | H103 | sing | 1.09Å | 1.10Å | |
| O3 | H104 | sing | 0.97Å | 0.95Å | |
| O4 | H105 | sing | 0.97Å | 0.95Å | |
| O5 | H106 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C52 | C45 | C47 | 119.9° | 120.1° |
| C52 | C45 | C46 | 120.4° | 120.1° |
| C45 | C52 | H73 | 109.5° | 109.5° |
| C45 | C52 | H74 | 109.4° | 109.5° |
| C45 | C52 | H75 | 109.4° | 109.5° |
| C58 | C56 | C53 | 111.8° | 120.0° |
| C56 | C58 | C60 | 108.9° | 120.0° |
| C56 | C58 | C61 | 109.4° | 120.0° |
| C58 | C56 | H84 | 124.1° | 120.1° |
| C56 | C53 | C46 | 112.8° | 120.0° |
| C56 | C53 | H76 | 123.6° | 120.1° |
| C53 | C56 | H84 | 124.1° | 120.0° |
| C60 | C58 | C61 | 109.3° | 120.0° |
| C58 | C60 | H91 | 109.5° | 109.5° |
| C58 | C60 | H92 | 109.5° | 109.5° |
| C58 | C60 | H93 | 109.5° | 109.5° |
| C58 | C61 | C63 | 112.0° | 120.0° |
| C58 | C61 | H94 | 124.0° | 120.0° |
| C65 | C62 | C64 | 109.3° | 120.0° |
| C65 | C62 | C59 | 108.9° | 120.0° |
| C62 | C65 | H101 | 109.5° | 109.5° |
| C62 | C65 | H102 | 109.4° | 109.5° |
| C62 | C65 | H103 | 109.4° | 109.5° |
| C54 | C47 | C45 | 119.7° | 119.9° |
| C54 | C47 | C49 | 120.0° | 119.9° |
| C47 | C54 | H78 | 109.5° | 109.5° |
| C47 | C54 | H79 | 109.5° | 109.5° |
| C47 | C54 | H80 | 109.5° | 109.5° |
| C47 | C45 | C46 | 119.7° | 119.8° |
| C45 | C47 | C49 | 120.2° | 120.2° |
| C45 | C46 | C53 | 120.1° | 120.2° |
| C45 | C46 | C48 | 120.0° | 119.7° |
| C61 | C63 | C64 | 112.0° | 119.9° |
| C63 | C61 | H94 | 124.0° | 120.1° |
| C61 | C63 | H97 | 124.0° | 120.0° |
| C63 | C64 | C62 | 111.9° | 120.0° |
| C64 | C63 | H97 | 124.0° | 120.1° |
| C63 | C64 | H99 | 124.1° | 120.0° |
| C47 | C49 | C50 | 120.0° | 120.3° |
| C47 | C49 | H69 | 120.0° | 119.8° |
| C53 | C46 | C48 | 119.9° | 120.1° |
| C46 | C53 | H76 | 123.6° | 119.9° |
| C46 | C48 | C50 | 120.2° | 119.8° |
| C46 | C48 | C55 | 120.0° | 120.1° |
| C64 | C62 | C59 | 108.9° | 120.0° |
| C62 | C64 | H99 | 124.0° | 120.0° |
| C62 | C59 | C57 | 111.5° | 120.0° |
| C62 | C59 | H89 | 124.2° | 120.0° |
| C49 | C50 | C48 | 119.8° | 120.3° |
| C50 | C49 | H69 | 120.0° | 119.9° |
| C49 | C50 | H70 | 120.1° | 119.9° |
| C50 | C48 | C55 | 119.8° | 120.1° |
| C48 | C50 | H70 | 120.1° | 119.9° |
| C48 | C55 | H81 | 109.5° | 109.5° |
| C48 | C55 | H82 | 109.5° | 109.4° |
| C48 | C55 | H83 | 109.5° | 109.5° |
| C59 | C57 | C51 | 112.4° | 120.0° |
| C59 | C57 | H86 | 123.8° | 120.0° |
| C57 | C59 | H89 | 124.3° | 120.0° |
| C57 | C51 | C44 | 112.1° | 120.0° |
| C57 | C51 | H71 | 124.0° | 120.0° |
| C51 | C57 | H86 | 123.8° | 120.0° |
| C51 | C44 | C42 | 111.8° | 120.0° |
| C51 | C44 | H67 | 124.1° | 120.0° |
| C44 | C51 | H71 | 124.0° | 120.0° |
| C44 | C42 | C41 | 109.2° | 120.0° |
| C44 | C42 | C43 | 109.4° | 120.0° |
| C42 | C44 | H67 | 124.1° | 119.9° |
| O7 | C21 | O6 | 119.6° | 120.0° |
| O7 | C21 | C22 | 120.2° | 120.0° |
| C42 | C41 | C40 | 112.3° | 120.0° |
| C41 | C42 | C43 | 109.7° | 120.0° |
| C42 | C41 | H61 | 123.8° | 120.0° |
| C41 | C40 | C39 | 112.0° | 120.0° |
| C41 | C40 | H59 | 124.0° | 120.0° |
| C40 | C41 | H61 | 123.9° | 120.0° |
| C42 | C43 | H64 | 109.5° | 109.5° |
| C42 | C43 | H65 | 109.4° | 109.5° |
| C42 | C43 | H66 | 109.4° | 109.5° |
| O6 | C21 | C22 | 120.2° | 120.1° |
| C21 | O6 | C15 | 113.8° | 117.1° |
| C21 | C22 | C23 | 112.4° | 109.5° |
| C21 | C22 | H19 | 108.7° | 109.5° |
| C21 | C22 | H20 | 108.7° | 109.5° |
| O6 | C15 | C12 | 107.2° | 109.5° |
| O6 | C15 | H6 | 110.0° | 109.4° |
| O6 | C15 | H7 | 110.0° | 109.4° |
| C25 | C20 | C27 | 109.4° | 120.0° |
| C25 | C20 | C19 | 109.1° | 120.0° |
| C20 | C25 | H25 | 109.5° | 109.5° |
| C20 | C25 | H26 | 109.4° | 109.5° |
| C20 | C25 | H27 | 109.5° | 109.5° |
| C40 | C39 | C37 | 111.5° | 120.0° |
| C40 | C39 | H57 | 124.3° | 120.0° |
| C39 | C40 | H59 | 124.0° | 120.0° |
| C39 | C37 | C35 | 111.1° | 120.0° |
| C39 | C37 | C38 | 110.1° | 120.0° |
| C37 | C39 | H57 | 124.2° | 119.9° |
| C26 | C24 | C23 | 111.4° | 109.5° |
| C24 | C26 | C28 | 111.5° | 109.5° |
| C26 | C24 | H23 | 109.0° | 109.5° |
| C26 | C24 | H24 | 109.0° | 109.5° |
| C24 | C26 | H30 | 109.0° | 109.5° |
| C24 | C26 | H31 | 109.0° | 109.5° |
| C24 | C23 | C22 | 112.4° | 109.5° |
| C24 | C23 | H21 | 108.8° | 109.5° |
| C24 | C23 | H22 | 108.8° | 109.5° |
| C23 | C24 | H23 | 109.0° | 109.5° |
| C23 | C24 | H24 | 109.0° | 109.5° |
| C26 | C28 | C29 | 110.9° | 109.5° |
| C28 | C26 | H30 | 109.0° | 109.5° |
| C28 | C26 | H31 | 109.0° | 109.5° |
| C26 | C28 | H34 | 109.1° | 109.5° |
| C26 | C28 | H35 | 109.1° | 109.5° |
| C16 | C13 | C17 | 109.6° | 109.5° |
| C16 | C13 | O2 | 110.8° | 109.5° |
| C16 | C13 | C14 | 108.4° | 109.5° |
| C13 | C16 | H8 | 109.5° | 109.4° |
| C13 | C16 | H9 | 109.4° | 109.5° |
| C13 | C16 | H10 | 109.5° | 109.5° |
| C23 | C22 | H19 | 108.7° | 109.4° |
| C23 | C22 | H20 | 108.7° | 109.5° |
| C22 | C23 | H21 | 108.7° | 109.4° |
| C22 | C23 | H22 | 108.7° | 109.4° |
| C37 | C35 | C32 | 111.9° | 120.0° |
| C35 | C37 | C38 | 111.3° | 120.0° |
| C37 | C35 | H48 | 124.1° | 120.0° |
| C35 | C32 | C27 | 112.7° | 120.0° |
| C35 | C32 | H42 | 123.6° | 120.0° |
| C32 | C35 | H48 | 124.1° | 120.0° |
| O3 | C8 | C10 | 108.0° | 109.5° |
| O3 | C8 | C9 | 108.5° | 109.6° |
| O3 | C8 | H28 | 109.4° | 109.6° |
| C8 | O3 | H104 | 109.5° | 114.0° |
| C37 | C38 | H54 | 109.5° | 109.4° |
| C37 | C38 | H55 | 109.5° | 109.4° |
| C37 | C38 | H56 | 109.5° | 109.5° |
| C15 | C12 | O1 | 107.7° | 109.5° |
| C15 | C12 | C10 | 108.0° | 109.5° |
| C15 | C12 | H3 | 109.6° | 109.5° |
| C12 | C15 | H6 | 110.0° | 109.5° |
| C12 | C15 | H7 | 110.0° | 109.5° |
| C11 | O1 | C12 | 113.1° | 114.1° |
| O1 | C11 | O2 | 108.6° | 109.5° |
| O1 | C11 | C9 | 112.8° | 109.4° |
| O1 | C11 | H2 | 108.3° | 109.5° |
| O1 | C12 | C10 | 112.5° | 109.4° |
| O1 | C12 | H3 | 109.8° | 109.5° |
| C27 | C20 | C19 | 109.2° | 120.0° |
| C20 | C27 | C32 | 112.3° | 120.0° |
| C20 | C27 | H32 | 123.8° | 120.1° |
| C20 | C19 | C18 | 111.9° | 109.5° |
| C20 | C19 | H16 | 108.8° | 109.4° |
| C20 | C19 | H17 | 108.9° | 109.4° |
| C17 | C13 | O2 | 109.9° | 109.5° |
| C17 | C13 | C14 | 108.4° | 109.5° |
| C13 | C17 | H11 | 109.5° | 109.5° |
| C13 | C17 | H12 | 109.5° | 109.4° |
| C13 | C17 | H13 | 109.5° | 109.5° |
| C32 | C27 | H32 | 123.8° | 119.9° |
| C27 | C32 | H42 | 123.7° | 119.9° |
| C28 | C29 | C30 | 111.8° | 109.5° |
| C29 | C28 | H34 | 109.1° | 109.5° |
| C29 | C28 | H35 | 109.1° | 109.4° |
| C28 | C29 | H36 | 108.9° | 109.5° |
| C28 | C29 | H37 | 108.9° | 109.4° |
| C19 | C18 | C14 | 111.9° | 109.5° |
| C19 | C18 | H14 | 108.9° | 109.5° |
| C19 | C18 | H15 | 108.9° | 109.5° |
| C18 | C19 | H16 | 108.9° | 109.5° |
| C18 | C19 | H17 | 108.8° | 109.5° |
| C18 | C14 | C13 | 111.1° | 109.5° |
| C18 | C14 | H4 | 109.0° | 109.5° |
| C18 | C14 | H5 | 109.0° | 109.5° |
| C14 | C18 | H14 | 108.9° | 109.5° |
| C14 | C18 | H15 | 108.9° | 109.5° |
| O2 | C11 | C9 | 109.9° | 109.5° |
| C11 | O2 | C13 | 113.8° | 114.0° |
| O2 | C11 | H2 | 109.6° | 109.5° |
| C11 | C9 | C8 | 111.5° | 109.1° |
| C11 | C9 | O4 | 109.3° | 109.6° |
| C9 | C11 | H2 | 107.6° | 109.4° |
| C11 | C9 | H29 | 108.3° | 109.5° |
| O2 | C13 | C14 | 109.8° | 109.5° |
| C13 | C14 | H4 | 109.1° | 109.5° |
| C13 | C14 | H5 | 109.1° | 109.5° |
| C12 | C10 | C8 | 112.3° | 109.2° |
| C12 | C10 | O5 | 108.6° | 109.5° |
| C12 | C10 | H1 | 108.3° | 109.6° |
| C10 | C12 | H3 | 109.2° | 109.5° |
| C29 | C30 | C31 | 111.5° | 109.5° |
| C30 | C29 | H36 | 108.9° | 109.5° |
| C30 | C29 | H37 | 108.9° | 109.5° |
| C29 | C30 | H38 | 109.0° | 109.5° |
| C29 | C30 | H39 | 109.0° | 109.4° |
| C30 | C31 | C33 | 112.2° | 109.5° |
| C31 | C30 | H38 | 109.0° | 109.5° |
| C31 | C30 | H39 | 109.0° | 109.5° |
| C30 | C31 | H40 | 108.8° | 109.5° |
| C30 | C31 | H41 | 108.8° | 109.4° |
| C8 | C10 | O5 | 109.1° | 109.5° |
| C10 | C8 | C9 | 112.9° | 109.1° |
| C8 | C10 | H1 | 109.0° | 109.5° |
| C10 | C8 | H28 | 109.1° | 109.5° |
| O5 | C10 | H1 | 109.5° | 109.5° |
| C10 | O5 | H106 | 109.5° | 114.0° |
| C8 | C9 | O4 | 109.4° | 109.5° |
| C9 | C8 | H28 | 108.9° | 109.5° |
| C8 | C9 | H29 | 108.6° | 109.5° |
| O4 | C9 | H29 | 109.6° | 109.6° |
| C9 | O4 | H105 | 109.5° | 114.0° |
| C31 | C33 | C34 | 111.7° | 109.5° |
| C33 | C31 | H40 | 108.8° | 109.5° |
| C33 | C31 | H41 | 108.8° | 109.5° |
| C31 | C33 | H44 | 108.9° | 109.5° |
| C31 | C33 | H45 | 108.9° | 109.5° |
| C33 | C34 | C36 | 111.8° | 109.5° |
| C34 | C33 | H44 | 108.9° | 109.5° |
| C34 | C33 | H45 | 108.9° | 109.4° |
| C33 | C34 | H46 | 108.9° | 109.5° |
| C33 | C34 | H47 | 108.9° | 109.4° |
| C36 | C34 | H46 | 108.9° | 109.5° |
| C36 | C34 | H47 | 108.9° | 109.5° |
| C34 | C36 | H50 | 109.5° | 109.5° |
| C34 | C36 | H51 | 109.5° | 109.4° |
| C34 | C36 | H52 | 109.5° | 109.4° |
| H4 | C14 | H5 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H8 | C16 | H10 | 109.5° | 109.4° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.4° | 109.5° |
| H11 | C17 | H13 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.4° |
| H21 | C23 | H22 | 109.5° | 109.4° |
| H23 | C24 | H24 | 109.5° | 109.4° |
| H25 | C25 | H26 | 109.5° | 109.4° |
| H25 | C25 | H27 | 109.5° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.4° |
| H30 | C26 | H31 | 109.4° | 109.4° |
| H34 | C28 | H35 | 109.4° | 109.5° |
| H36 | C29 | H37 | 109.5° | 109.5° |
| H38 | C30 | H39 | 109.5° | 109.5° |
| H40 | C31 | H41 | 109.5° | 109.5° |
| H44 | C33 | H45 | 109.5° | 109.5° |
| H46 | C34 | H47 | 109.4° | 109.5° |
| H50 | C36 | H51 | 109.5° | 109.5° |
| H50 | C36 | H52 | 109.5° | 109.5° |
| H51 | C36 | H52 | 109.4° | 109.5° |
| H54 | C38 | H55 | 109.5° | 109.5° |
| H54 | C38 | H56 | 109.5° | 109.5° |
| H55 | C38 | H56 | 109.4° | 109.5° |
| H64 | C43 | H65 | 109.5° | 109.5° |
| H64 | C43 | H66 | 109.5° | 109.4° |
| H65 | C43 | H66 | 109.5° | 109.5° |
| H73 | C52 | H74 | 109.5° | 109.5° |
| H73 | C52 | H75 | 109.5° | 109.5° |
| H74 | C52 | H75 | 109.5° | 109.5° |
| H78 | C54 | H79 | 109.5° | 109.5° |
| H78 | C54 | H80 | 109.5° | 109.4° |
| H79 | C54 | H80 | 109.4° | 109.5° |
| H81 | C55 | H82 | 109.5° | 109.5° |
| H81 | C55 | H83 | 109.5° | 109.5° |
| H82 | C55 | H83 | 109.5° | 109.5° |
| H91 | C60 | H92 | 109.5° | 109.4° |
| H91 | C60 | H93 | 109.5° | 109.5° |
| H92 | C60 | H93 | 109.5° | 109.5° |
| H101 | C65 | H102 | 109.5° | 109.4° |
| H101 | C65 | H103 | 109.5° | 109.5° |
| H102 | C65 | H103 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C52 | C45 | C47 | C54 | 0.0° | 0.3° |
| C52 | C45 | C47 | C46 | 180.0° | 179.7° |
| C52 | C45 | C47 | C49 | 179.9° | 179.8° |
| C52 | C45 | C46 | C53 | 0.4° | 0.3° |
| C52 | C45 | C46 | C48 | 179.9° | 179.7° |
| C45 | C52 | H73 | H74 | 120.0° | 120.0° |
| C45 | C52 | H73 | H75 | 120.0° | 120.0° |
| C45 | C52 | H74 | H75 | 120.0° | 120.0° |
| C58 | C56 | C53 | H84 | 180.0° | 180.0° |
| C56 | C58 | C60 | C61 | 119.5° | 180.0° |
| C56 | C58 | C61 | C63 | 93.1° | 180.0° |
| C58 | C56 | C53 | C46 | 132.5° | 180.0° |
| C58 | C56 | C53 | H76 | 47.5° | 0.0° |
| C56 | C58 | C60 | H91 | 180.0° | 90.0° |
| C56 | C58 | C60 | H92 | 60.0° | 150.0° |
| C56 | C58 | C60 | H93 | 60.0° | 30.0° |
| C56 | C58 | C61 | H94 | 86.9° | 0.0° |
| C53 | C56 | C58 | C60 | 104.3° | 0.0° |
| C53 | C56 | C58 | C61 | 15.0° | 180.0° |
| C56 | C53 | C46 | C45 | 81.2° | 130.0° |
| C56 | C53 | C46 | H76 | 180.0° | 180.0° |
| C56 | C53 | C46 | C48 | 99.2° | 50.0° |
| C60 | C58 | C61 | C63 | 147.8° | 0.0° |
| C60 | C58 | C56 | H84 | 75.7° | 180.0° |
| C58 | C60 | H91 | H92 | 120.0° | 120.0° |
| C58 | C60 | H91 | H93 | 120.0° | 120.1° |
| C58 | C60 | H92 | H93 | 120.0° | 120.0° |
| C60 | C58 | C61 | H94 | 32.3° | 180.0° |
| C58 | C61 | C63 | H94 | 180.0° | 179.9° |
| C58 | C61 | C63 | C64 | 144.6° | 175.3° |
| C61 | C58 | C56 | H84 | 165.0° | 0.0° |
| C61 | C58 | C60 | H91 | 60.6° | 90.0° |
| C61 | C58 | C60 | H92 | 59.5° | 30.0° |
| C61 | C58 | C60 | H93 | 179.4° | 150.0° |
| C58 | C61 | C63 | H97 | 35.4° | 4.7° |
| C65 | C62 | C64 | C63 | 71.5° | 66.6° |
| C65 | C62 | C64 | C59 | 118.9° | 179.9° |
| C65 | C62 | C59 | C57 | 62.7° | 180.0° |
| C65 | C62 | C59 | H89 | 117.3° | 0.1° |
| C65 | C62 | C64 | H99 | 108.5° | 113.4° |
| C62 | C65 | H101 | H102 | 120.0° | 120.0° |
| C62 | C65 | H101 | H103 | 120.0° | 120.0° |
| C62 | C65 | H102 | H103 | 119.9° | 120.1° |
| C54 | C47 | C45 | C49 | 179.9° | 180.0° |
| C54 | C47 | C45 | C46 | 179.9° | 180.0° |
| C54 | C47 | C49 | C50 | 180.0° | 179.9° |
| C54 | C47 | C49 | H69 | 0.0° | 0.1° |
| C47 | C54 | H78 | H79 | 120.0° | 120.0° |
| C47 | C54 | H78 | H80 | 120.0° | 120.0° |
| C47 | C54 | H79 | H80 | 120.0° | 120.0° |
| C47 | C45 | C46 | C53 | 179.7° | 180.0° |
| C47 | C45 | C46 | C48 | 0.1° | 0.0° |
| C45 | C47 | C49 | C50 | 0.2° | 0.1° |
| C45 | C47 | C49 | H69 | 179.8° | 180.0° |
| C47 | C45 | C52 | H73 | 90.0° | 90.0° |
| C47 | C45 | C52 | H74 | 150.0° | 150.0° |
| C47 | C45 | C52 | H75 | 30.0° | 30.0° |
| C45 | C47 | C54 | H78 | 89.9° | 90.0° |
| C45 | C47 | C54 | H79 | 150.0° | 150.0° |
| C45 | C47 | C54 | H80 | 30.1° | 30.0° |
| C46 | C45 | C47 | C49 | 0.1° | 0.0° |
| C45 | C46 | C53 | C48 | 179.6° | 180.0° |
| C45 | C46 | C48 | C50 | 0.2° | 0.1° |
| C45 | C46 | C48 | C55 | 179.9° | 180.0° |
| C46 | C45 | C52 | H73 | 90.0° | 89.7° |
| C46 | C45 | C52 | H74 | 30.0° | 30.3° |
| C46 | C45 | C52 | H75 | 150.0° | 150.3° |
| C45 | C46 | C53 | H76 | 98.8° | 50.0° |
| C61 | C63 | C64 | H97 | 180.0° | 180.0° |
| C61 | C63 | C64 | C62 | 88.7° | 4.1° |
| C61 | C63 | C64 | H99 | 91.3° | 175.9° |
| C63 | C64 | C62 | H99 | 180.0° | 180.0° |
| C63 | C64 | C62 | C59 | 169.6° | 113.3° |
| C64 | C63 | C61 | H94 | 35.4° | 4.6° |
| C47 | C49 | C50 | H69 | 180.0° | 179.9° |
| C47 | C49 | C50 | C48 | 0.1° | 0.1° |
| C47 | C49 | C50 | H70 | 179.9° | 180.0° |
| C49 | C47 | C54 | H78 | 89.9° | 90.0° |
| C49 | C47 | C54 | H79 | 30.1° | 30.0° |
| C49 | C47 | C54 | H80 | 150.0° | 150.0° |
| C53 | C46 | C48 | C50 | 179.7° | 180.0° |
| C53 | C46 | C48 | C55 | 0.4° | 0.0° |
| C46 | C53 | C56 | H84 | 47.5° | 0.0° |
| C46 | C48 | C50 | C49 | 0.1° | 0.0° |
| C46 | C48 | C50 | C55 | 179.9° | 179.9° |
| C46 | C48 | C50 | H70 | 179.9° | 180.0° |
| C48 | C46 | C53 | H76 | 80.8° | 130.0° |
| C46 | C48 | C55 | H81 | 90.0° | 90.0° |
| C46 | C48 | C55 | H82 | 149.9° | 150.0° |
| C46 | C48 | C55 | H83 | 30.0° | 30.0° |
| C64 | C62 | C59 | C57 | 56.4° | 0.0° |
| C64 | C62 | C59 | H89 | 123.6° | 180.0° |
| C62 | C64 | C63 | H97 | 91.3° | 175.9° |
| C64 | C62 | C65 | H101 | 180.0° | 95.3° |
| C64 | C62 | C65 | H102 | 60.0° | 144.7° |
| C64 | C62 | C65 | H103 | 60.0° | 24.7° |
| C62 | C59 | C57 | H89 | 180.0° | 179.9° |
| C62 | C59 | C57 | C51 | 174.8° | 180.0° |
| C62 | C59 | C57 | H86 | 5.2° | 0.0° |
| C59 | C62 | C64 | H99 | 10.4° | 66.7° |
| C59 | C62 | C65 | H101 | 61.1° | 84.7° |
| C59 | C62 | C65 | H102 | 178.9° | 35.2° |
| C59 | C62 | C65 | H103 | 58.9° | 155.3° |
| C49 | C50 | C48 | H70 | 180.0° | 180.0° |
| C49 | C50 | C48 | C55 | 180.0° | 180.0° |
| C48 | C50 | C49 | H69 | 179.9° | 179.9° |
| C50 | C48 | C55 | H81 | 90.1° | 90.0° |
| C50 | C48 | C55 | H82 | 30.0° | 30.0° |
| C50 | C48 | C55 | H83 | 150.0° | 149.9° |
| C55 | C48 | C50 | H70 | 0.0° | 0.0° |
| C48 | C55 | H81 | H82 | 120.0° | 120.0° |
| C48 | C55 | H81 | H83 | 120.0° | 120.0° |
| C48 | C55 | H82 | H83 | 120.0° | 120.0° |
| C59 | C57 | C51 | H86 | 180.0° | 180.0° |
| C59 | C57 | C51 | C44 | 62.9° | 0.1° |
| C59 | C57 | C51 | H71 | 117.1° | 180.0° |
| C57 | C51 | C44 | H71 | 180.0° | 179.9° |
| C57 | C51 | C44 | C42 | 141.7° | 180.0° |
| C57 | C51 | C44 | H67 | 38.3° | 0.1° |
| C51 | C57 | C59 | H89 | 5.2° | 0.1° |
| C51 | C44 | C42 | H67 | 180.0° | 179.9° |
| C51 | C44 | C42 | C41 | 163.6° | 180.0° |
| C51 | C44 | C42 | C43 | 43.5° | 0.1° |
| C44 | C51 | C57 | H86 | 117.1° | 179.9° |
| C44 | C42 | C41 | C43 | 119.9° | 180.0° |
| C44 | C42 | C41 | C40 | 144.1° | 180.0° |
| C44 | C42 | C41 | H61 | 35.9° | 0.1° |
| C44 | C42 | C43 | H64 | 180.0° | 90.0° |
| C44 | C42 | C43 | H65 | 60.0° | 30.0° |
| C44 | C42 | C43 | H66 | 60.0° | 150.1° |
| C42 | C44 | C51 | H71 | 38.3° | 0.1° |
| O7 | C21 | O6 | C22 | 179.8° | 180.0° |
| O7 | C21 | O6 | C15 | 179.2° | 0.0° |
| O7 | C21 | C22 | C23 | 23.3° | 0.0° |
| O7 | C21 | C22 | H19 | 97.2° | 120.0° |
| O7 | C21 | C22 | H20 | 143.7° | 120.1° |
| C42 | C41 | C40 | H61 | 180.0° | 179.9° |
| C42 | C41 | C40 | C39 | 165.9° | 180.0° |
| C42 | C41 | C40 | H59 | 14.1° | 0.0° |
| C41 | C42 | C43 | H64 | 60.2° | 89.9° |
| C41 | C42 | C43 | H65 | 179.8° | 150.0° |
| C41 | C42 | C43 | H66 | 59.8° | 30.0° |
| C41 | C42 | C44 | H67 | 16.4° | 0.1° |
| C40 | C41 | C42 | C43 | 24.2° | 0.0° |
| C41 | C40 | C39 | H59 | 180.0° | 180.0° |
| C41 | C40 | C39 | C37 | 149.8° | 180.0° |
| C41 | C40 | C39 | H57 | 30.2° | 0.1° |
| C43 | C42 | C41 | H61 | 155.8° | 180.0° |
| C42 | C43 | H64 | H65 | 120.0° | 120.1° |
| C42 | C43 | H64 | H66 | 120.0° | 120.0° |
| C42 | C43 | H65 | H66 | 120.0° | 120.0° |
| C43 | C42 | C44 | H67 | 136.5° | 180.0° |
| O6 | C21 | C22 | C23 | 156.5° | 180.0° |
| C21 | O6 | C15 | C12 | 97.7° | 180.0° |
| C21 | O6 | C15 | H6 | 142.7° | 60.0° |
| C21 | O6 | C15 | H7 | 22.0° | 59.9° |
| O6 | C21 | C22 | H19 | 83.1° | 60.0° |
| O6 | C21 | C22 | H20 | 36.0° | 59.9° |
| C22 | C21 | O6 | C15 | 1.1° | 180.0° |
| C21 | C22 | C23 | C24 | 72.0° | 180.0° |
| C21 | C22 | C23 | H19 | 120.5° | 120.0° |
| C21 | C22 | C23 | H20 | 120.4° | 120.0° |
| C21 | C22 | H19 | H20 | 118.6° | 120.0° |
| C21 | C22 | C23 | H21 | 48.4° | 60.0° |
| C21 | C22 | C23 | H22 | 167.5° | 59.9° |
| O6 | C15 | C12 | H6 | 119.6° | 120.0° |
| O6 | C15 | C12 | H7 | 119.6° | 120.0° |
| O6 | C15 | C12 | O1 | 8.3° | 65.1° |
| O6 | C15 | C12 | C10 | 113.5° | 175.0° |
| O6 | C15 | C12 | H3 | 127.7° | 55.0° |
| O6 | C15 | H6 | H7 | 121.0° | 119.9° |
| C25 | C20 | C27 | C19 | 119.4° | 180.0° |
| C25 | C20 | C27 | C32 | 89.7° | 0.0° |
| C25 | C20 | C19 | C18 | 96.7° | 85.0° |
| C25 | C20 | C19 | H16 | 142.9° | 155.0° |
| C25 | C20 | C19 | H17 | 23.7° | 35.1° |
| C20 | C25 | H25 | H26 | 120.0° | 120.0° |
| C20 | C25 | H25 | H27 | 120.0° | 120.0° |
| C20 | C25 | H26 | H27 | 120.0° | 120.0° |
| C25 | C20 | C27 | H32 | 90.3° | 179.9° |
| C40 | C39 | C37 | H57 | 180.0° | 179.9° |
| C40 | C39 | C37 | C35 | 179.5° | 180.0° |
| C40 | C39 | C37 | C38 | 56.8° | 0.0° |
| C39 | C40 | C41 | H61 | 14.1° | 0.1° |
| C39 | C37 | C35 | C38 | 123.1° | 180.0° |
| C39 | C37 | C35 | C32 | 148.2° | 180.0° |
| C39 | C37 | C35 | H48 | 31.8° | 0.0° |
| C39 | C37 | C38 | H54 | 180.0° | 90.0° |
| C39 | C37 | C38 | H55 | 60.0° | 30.0° |
| C39 | C37 | C38 | H56 | 60.0° | 150.0° |
| C37 | C39 | C40 | H59 | 30.2° | 0.0° |
| C26 | C24 | C23 | H23 | 120.3° | 120.1° |
| C26 | C24 | C23 | H24 | 120.3° | 120.0° |
| C24 | C26 | C28 | H30 | 120.3° | 120.0° |
| C24 | C26 | C28 | H31 | 120.3° | 120.0° |
| C26 | C24 | C23 | C22 | 151.3° | 180.0° |
| C24 | C26 | C28 | C29 | 131.2° | 180.0° |
| C26 | C24 | C23 | H21 | 88.3° | 60.0° |
| C26 | C24 | C23 | H22 | 30.9° | 60.0° |
| C26 | C24 | H23 | H24 | 119.1° | 120.0° |
| C24 | C26 | H30 | H31 | 119.1° | 120.0° |
| C24 | C26 | C28 | H34 | 10.9° | 60.0° |
| C24 | C26 | C28 | H35 | 108.6° | 60.1° |
| C23 | C24 | C26 | C28 | 36.7° | NaN° |
| C24 | C23 | C22 | H21 | 120.4° | 120.0° |
| C24 | C23 | C22 | H22 | 120.4° | 120.1° |
| C24 | C23 | C22 | H19 | 48.5° | 60.0° |
| C24 | C23 | C22 | H20 | 167.6° | 60.0° |
| C24 | C23 | H21 | H22 | 118.7° | 120.0° |
| C23 | C24 | H23 | H24 | 119.1° | 119.9° |
| C23 | C24 | C26 | H30 | 83.6° | 59.9° |
| C23 | C24 | C26 | H31 | 157.0° | 60.0° |
| C26 | C28 | C29 | H34 | 120.2° | 120.0° |
| C26 | C28 | C29 | H35 | 120.2° | 120.0° |
| C26 | C28 | C29 | C30 | 58.8° | 180.0° |
| C28 | C26 | C24 | H23 | 83.6° | 59.9° |
| C28 | C26 | C24 | H24 | 157.0° | 60.0° |
| C28 | C26 | H30 | H31 | 119.1° | 120.0° |
| C26 | C28 | H34 | H35 | 119.3° | 120.1° |
| C26 | C28 | C29 | H36 | 61.6° | 60.0° |
| C26 | C28 | C29 | H37 | 179.1° | 60.0° |
| C16 | C13 | C17 | O2 | 122.0° | 120.0° |
| C16 | C13 | C17 | C14 | 118.1° | 120.0° |
| C16 | C13 | C14 | C18 | 36.5° | 175.0° |
| C16 | C13 | O2 | C11 | 24.0° | 60.0° |
| C16 | C13 | O2 | C14 | 119.6° | 120.0° |
| C16 | C13 | C14 | H4 | 156.8° | 55.0° |
| C16 | C13 | C14 | H5 | 83.7° | 65.0° |
| C13 | C16 | H8 | H9 | 120.0° | 120.1° |
| C13 | C16 | H8 | H10 | 120.0° | 119.9° |
| C13 | C16 | H9 | H10 | 120.0° | 120.0° |
| C16 | C13 | C17 | H11 | 180.0° | 60.0° |
| C16 | C13 | C17 | H12 | 60.0° | 60.0° |
| C16 | C13 | C17 | H13 | 60.0° | 180.0° |
| C23 | C22 | H19 | H20 | 118.6° | 120.0° |
| C22 | C23 | H21 | H22 | 118.6° | 119.9° |
| C22 | C23 | C24 | H23 | 31.0° | 59.9° |
| C22 | C23 | C24 | H24 | 88.4° | 60.0° |
| C37 | C35 | C32 | H48 | 180.0° | 179.9° |
| C37 | C35 | C32 | C27 | 141.9° | 180.0° |
| C37 | C35 | C32 | H42 | 38.1° | 0.1° |
| C35 | C37 | C38 | H54 | 56.4° | 90.0° |
| C35 | C37 | C38 | H55 | 176.4° | 150.0° |
| C35 | C37 | C38 | H56 | 63.7° | 30.0° |
| C35 | C37 | C39 | H57 | 0.5° | 0.0° |
| C32 | C35 | C37 | C38 | 25.1° | 0.1° |
| C35 | C32 | C27 | C20 | 86.6° | 180.0° |
| C35 | C32 | C27 | H42 | 180.0° | 179.9° |
| C35 | C32 | C27 | H32 | 93.4° | 0.1° |
| O3 | C8 | C9 | C11 | 58.8° | 176.8° |
| O3 | C8 | C10 | C12 | 89.5° | 176.9° |
| O3 | C8 | C10 | C9 | 119.9° | 119.9° |
| O3 | C8 | C10 | H28 | 118.8° | 120.2° |
| O3 | C8 | C10 | O5 | 149.9° | 63.2° |
| O3 | C8 | C9 | H28 | 118.9° | 120.3° |
| O3 | C8 | C9 | O4 | 179.9° | 63.2° |
| O3 | C8 | C10 | H1 | 30.5° | 56.9° |
| O3 | C8 | C9 | H29 | 60.5° | 57.0° |
| C38 | C37 | C35 | H48 | 154.9° | 180.0° |
| C37 | C38 | H54 | H55 | 120.0° | 119.9° |
| C37 | C38 | H54 | H56 | 120.0° | 120.0° |
| C37 | C38 | H55 | H56 | 120.0° | 120.0° |
| C38 | C37 | C39 | H57 | 123.2° | 179.9° |
| C15 | C12 | O1 | C11 | 178.5° | 178.9° |
| C15 | C12 | O1 | C10 | 118.9° | 120.0° |
| C15 | C12 | O1 | H3 | 119.3° | 120.1° |
| C15 | C12 | C10 | H3 | 119.1° | 120.1° |
| C15 | C12 | C10 | C8 | 146.6° | 177.6° |
| C15 | C12 | C10 | O5 | 92.7° | 62.5° |
| C15 | C12 | C10 | H1 | 26.1° | 57.6° |
| C12 | C15 | H6 | H7 | 121.0° | 120.1° |
| O1 | C11 | O2 | C9 | 123.9° | 120.0° |
| O1 | C11 | O2 | H2 | 118.1° | 120.1° |
| O1 | C11 | C9 | H2 | 119.4° | 119.9° |
| O1 | C11 | O2 | C13 | 77.2° | 70.0° |
| C11 | O1 | C12 | C10 | 59.6° | 61.2° |
| O1 | C11 | C9 | C8 | 29.1° | 57.6° |
| O1 | C11 | C9 | O4 | 92.0° | 177.5° |
| C11 | O1 | C12 | H3 | 62.2° | 58.8° |
| O1 | C11 | C9 | H29 | 148.6° | 62.2° |
| C12 | O1 | C11 | O2 | 93.4° | 58.8° |
| C12 | O1 | C11 | C9 | 28.7° | 61.2° |
| O1 | C12 | C10 | H3 | 122.1° | 120.0° |
| O1 | C12 | C10 | C8 | 27.8° | 57.6° |
| O1 | C12 | C10 | O5 | 148.6° | 177.5° |
| O1 | C12 | C10 | H1 | 92.6° | 62.4° |
| C12 | O1 | C11 | H2 | 147.7° | 178.9° |
| O1 | C12 | C15 | H6 | 127.9° | 174.9° |
| O1 | C12 | C15 | H7 | 111.4° | 54.9° |
| C20 | C27 | C32 | H32 | 180.0° | 179.9° |
| C27 | C20 | C19 | C18 | 22.8° | 95.0° |
| C27 | C20 | C19 | H16 | 97.5° | 25.0° |
| C27 | C20 | C19 | H17 | 143.2° | 145.0° |
| C27 | C20 | C25 | H25 | 180.0° | 90.0° |
| C27 | C20 | C25 | H26 | 60.0° | 150.0° |
| C27 | C20 | C25 | H27 | 60.0° | 30.0° |
| C20 | C27 | C32 | H42 | 93.4° | 0.0° |
| C19 | C20 | C27 | C32 | 151.0° | 179.9° |
| C20 | C19 | C18 | H16 | 120.3° | 120.0° |
| C20 | C19 | C18 | H17 | 120.4° | 120.0° |
| C20 | C19 | C18 | C14 | 157.3° | 180.0° |
| C20 | C19 | C18 | H14 | 82.3° | 60.0° |
| C20 | C19 | C18 | H15 | 36.9° | 60.0° |
| C20 | C19 | H16 | H17 | 118.9° | 119.9° |
| C19 | C20 | C25 | H25 | 60.6° | 90.0° |
| C19 | C20 | C25 | H26 | 179.5° | 30.0° |
| C19 | C20 | C25 | H27 | 59.5° | 150.0° |
| C19 | C20 | C27 | H32 | 29.0° | 0.0° |
| C17 | C13 | C14 | C18 | 82.4° | 55.0° |
| C17 | C13 | O2 | C11 | 97.3° | 60.0° |
| C17 | C13 | O2 | C14 | 119.1° | 120.0° |
| C17 | C13 | C14 | H4 | 37.9° | 65.0° |
| C17 | C13 | C14 | H5 | 157.4° | 175.0° |
| C17 | C13 | C16 | H8 | 180.0° | 180.0° |
| C17 | C13 | C16 | H9 | 60.0° | 60.0° |
| C17 | C13 | C16 | H10 | 60.0° | 60.0° |
| C13 | C17 | H11 | H12 | 120.0° | 120.0° |
| C13 | C17 | H11 | H13 | 120.0° | 120.0° |
| C13 | C17 | H12 | H13 | 120.0° | 120.0° |
| C27 | C32 | C35 | H48 | 38.1° | 0.1° |
| C28 | C29 | C30 | H36 | 120.4° | 120.0° |
| C28 | C29 | C30 | H37 | 120.3° | 119.9° |
| C28 | C29 | C30 | C31 | 122.3° | 180.0° |
| C29 | C28 | C26 | H30 | 108.5° | 60.0° |
| C29 | C28 | C26 | H31 | 10.8° | 60.0° |
| C29 | C28 | H34 | H35 | 119.3° | 119.9° |
| C28 | C29 | H36 | H37 | 118.9° | 119.9° |
| C28 | C29 | C30 | H38 | 2.0° | 60.0° |
| C28 | C29 | C30 | H39 | 117.4° | 60.0° |
| C19 | C18 | C14 | H14 | 120.3° | 120.0° |
| C19 | C18 | C14 | H15 | 120.4° | 120.0° |
| C19 | C18 | C14 | C13 | 114.1° | 180.0° |
| C19 | C18 | C14 | H4 | 125.7° | 60.0° |
| C19 | C18 | C14 | H5 | 6.2° | 60.0° |
| C19 | C18 | H14 | H15 | 118.9° | 120.0° |
| C18 | C19 | H16 | H17 | 118.9° | 120.1° |
| C18 | C14 | C13 | O2 | 157.6° | 65.0° |
| C18 | C14 | C13 | H4 | 120.2° | 120.0° |
| C18 | C14 | C13 | H5 | 120.2° | 120.0° |
| C18 | C14 | H4 | H5 | 119.2° | 120.0° |
| C14 | C18 | H14 | H15 | 118.9° | 120.0° |
| C14 | C18 | C19 | H16 | 37.0° | 60.0° |
| C14 | C18 | C19 | H17 | 82.3° | 60.0° |
| O2 | C11 | C9 | H2 | 119.2° | 120.0° |
| C11 | O2 | C13 | C14 | 143.6° | 180.0° |
| O2 | C11 | C9 | C8 | 150.5° | 62.4° |
| O2 | C11 | C9 | O4 | 29.4° | 57.5° |
| O2 | C11 | C9 | H29 | 90.0° | 177.7° |
| C9 | C11 | O2 | C13 | 158.9° | 170.0° |
| C11 | C9 | C8 | C10 | 60.9° | 57.0° |
| C11 | C9 | C8 | O4 | 121.1° | 119.9° |
| C11 | C9 | C8 | H29 | 119.3° | 119.8° |
| C11 | C9 | O4 | H29 | 118.6° | 120.2° |
| C11 | C9 | C8 | H28 | 177.7° | 62.9° |
| C11 | C9 | O4 | H105 | 180.0° | 60.0° |
| C13 | O2 | C11 | H2 | 40.9° | 50.0° |
| O2 | C13 | C14 | H4 | 82.1° | 175.0° |
| O2 | C13 | C14 | H5 | 37.4° | 55.0° |
| O2 | C13 | C16 | H8 | 58.6° | 59.9° |
| O2 | C13 | C16 | H9 | 178.6° | 180.0° |
| O2 | C13 | C16 | H10 | 61.4° | 60.0° |
| O2 | C13 | C17 | H11 | 58.0° | 60.0° |
| O2 | C13 | C17 | H12 | 61.9° | 180.0° |
| O2 | C13 | C17 | H13 | 178.1° | 60.0° |
| C13 | C14 | H4 | H5 | 119.3° | 120.0° |
| C14 | C13 | C16 | H8 | 61.9° | 60.0° |
| C14 | C13 | C16 | H9 | 58.1° | 60.0° |
| C14 | C13 | C16 | H10 | 178.1° | 180.0° |
| C14 | C13 | C17 | H11 | 61.9° | 180.0° |
| C14 | C13 | C17 | H12 | 178.1° | 60.0° |
| C14 | C13 | C17 | H13 | 58.1° | 60.0° |
| C13 | C14 | C18 | H14 | 6.3° | 60.0° |
| C13 | C14 | C18 | H15 | 125.6° | 60.0° |
| C12 | C10 | C8 | O5 | 120.5° | 119.9° |
| C12 | C10 | C8 | H1 | 120.0° | 120.0° |
| C12 | C10 | O5 | H1 | 118.1° | 120.2° |
| C12 | C10 | C8 | C9 | 30.4° | 57.0° |
| C10 | C12 | C15 | H6 | 6.2° | 55.0° |
| C10 | C12 | C15 | H7 | 126.9° | 65.0° |
| C12 | C10 | C8 | H28 | 151.6° | 62.9° |
| C12 | C10 | O5 | H106 | 180.0° | 179.7° |
| C29 | C30 | C31 | H38 | 120.3° | 120.0° |
| C29 | C30 | C31 | H39 | 120.3° | 119.9° |
| C29 | C30 | C31 | C33 | 136.1° | 180.0° |
| C30 | C29 | C28 | H34 | 179.0° | 60.0° |
| C30 | C29 | C28 | H35 | 61.4° | 60.0° |
| C30 | C29 | H36 | H37 | 118.9° | 120.1° |
| C29 | C30 | H38 | H39 | 119.1° | 120.0° |
| C29 | C30 | C31 | H40 | 15.7° | 60.0° |
| C29 | C30 | C31 | H41 | 103.5° | 60.1° |
| C30 | C31 | C33 | H40 | 120.4° | 120.1° |
| C30 | C31 | C33 | H41 | 120.4° | 119.9° |
| C30 | C31 | C33 | C34 | 160.7° | 180.0° |
| C31 | C30 | C29 | H36 | 117.3° | 60.0° |
| C31 | C30 | C29 | H37 | 2.0° | 60.1° |
| C31 | C30 | H38 | H39 | 119.1° | 120.0° |
| C30 | C31 | H40 | H41 | 118.7° | 120.0° |
| C30 | C31 | C33 | H44 | 78.9° | 60.0° |
| C30 | C31 | C33 | H45 | 40.4° | 60.1° |
| C8 | C10 | O5 | H1 | 119.2° | 120.1° |
| C10 | C8 | C9 | H28 | 121.4° | 119.9° |
| C10 | C8 | C9 | O4 | 60.2° | 176.9° |
| C8 | C10 | C12 | H3 | 94.3° | 62.4° |
| C10 | C8 | C9 | H29 | 179.8° | 62.9° |
| C10 | C8 | O3 | H104 | 180.0° | 180.0° |
| C8 | C10 | O5 | H106 | 57.3° | 60.0° |
| O5 | C10 | C8 | C9 | 90.1° | 176.9° |
| O5 | C10 | C12 | H3 | 26.5° | 57.5° |
| O5 | C10 | C8 | H28 | 31.1° | 57.0° |
| C8 | C9 | O4 | H29 | 119.1° | 120.2° |
| C9 | C8 | C10 | H1 | 150.4° | 63.0° |
| C8 | C9 | C11 | H2 | 90.3° | 177.5° |
| C9 | C8 | O3 | H104 | 57.3° | 60.4° |
| C8 | C9 | O4 | H105 | 57.7° | 179.7° |
| O4 | C9 | C11 | H2 | 148.6° | 62.5° |
| O4 | C9 | C8 | H28 | 61.2° | 57.0° |
| C31 | C33 | C34 | H44 | 120.3° | 120.0° |
| C31 | C33 | C34 | H45 | 120.3° | 120.0° |
| C31 | C33 | C34 | C36 | 145.6° | NaN° |
| C33 | C31 | C30 | H38 | 103.6° | 60.0° |
| C33 | C31 | C30 | H39 | 15.8° | 60.1° |
| C33 | C31 | H40 | H41 | 118.7° | 120.0° |
| C31 | C33 | H44 | H45 | 119.0° | 120.0° |
| C31 | C33 | C34 | H46 | 25.2° | 60.0° |
| C31 | C33 | C34 | H47 | 94.0° | 60.0° |
| C33 | C34 | C36 | H46 | 120.4° | 120.0° |
| C33 | C34 | C36 | H47 | 120.4° | 119.9° |
| C34 | C33 | C31 | H40 | 40.3° | 60.0° |
| C34 | C33 | C31 | H41 | 78.9° | 60.1° |
| C34 | C33 | H44 | H45 | 119.0° | 120.0° |
| C33 | C34 | H46 | H47 | 118.9° | 120.0° |
| C33 | C34 | C36 | H50 | 180.0° | 60.0° |
| C33 | C34 | C36 | H51 | 60.0° | 60.0° |
| C33 | C34 | C36 | H52 | 60.0° | 180.0° |
| C36 | C34 | C33 | H44 | 94.1° | 60.0° |
| C36 | C34 | C33 | H45 | 25.3° | 60.0° |
| C36 | C34 | H46 | H47 | 118.9° | 120.0° |
| C34 | C36 | H50 | H51 | 120.0° | 120.0° |
| C34 | C36 | H50 | H52 | 120.0° | 120.0° |
| C34 | C36 | H51 | H52 | 120.0° | 119.9° |
| H1 | C10 | C12 | H3 | 145.3° | 177.7° |
| H1 | C10 | C8 | H28 | 88.3° | 177.1° |
| H1 | C10 | O5 | H106 | 61.9° | 60.1° |
| H2 | C11 | C9 | H29 | 29.2° | 57.7° |
| H3 | C12 | C15 | H6 | 112.7° | 65.0° |
| H3 | C12 | C15 | H7 | 8.1° | 175.0° |
| H4 | C14 | C18 | H14 | 114.0° | 180.0° |
| H4 | C14 | C18 | H15 | 5.3° | 60.0° |
| H5 | C14 | C18 | H14 | 126.6° | 60.0° |
| H5 | C14 | C18 | H15 | 114.2° | 180.0° |
| H8 | C16 | H9 | H10 | 120.0° | 120.0° |
| H11 | C17 | H12 | H13 | 120.0° | 120.0° |
| H14 | C18 | C19 | H16 | 157.3° | 180.0° |
| H14 | C18 | C19 | H17 | 38.1° | 60.0° |
| H15 | C18 | C19 | H16 | 83.4° | 60.0° |
| H15 | C18 | C19 | H17 | 157.3° | 180.0° |
| H19 | C22 | C23 | H21 | 168.9° | 180.0° |
| H19 | C22 | C23 | H22 | 72.0° | 60.1° |
| H20 | C22 | C23 | H21 | 72.0° | 60.1° |
| H20 | C22 | C23 | H22 | 47.1° | 180.0° |
| H21 | C23 | C24 | H23 | 151.5° | 180.0° |
| H21 | C23 | C24 | H24 | 32.0° | 60.1° |
| H22 | C23 | C24 | H23 | 89.4° | 60.1° |
| H22 | C23 | C24 | H24 | 151.2° | 180.0° |
| H23 | C24 | C26 | H30 | 156.1° | 180.0° |
| H23 | C24 | C26 | H31 | 36.7° | 60.1° |
| H24 | C24 | C26 | H30 | 36.7° | 60.1° |
| H24 | C24 | C26 | H31 | 82.7° | 180.0° |
| H25 | C25 | H26 | H27 | 120.0° | 120.0° |
| H28 | C8 | C9 | H29 | 58.4° | 177.3° |
| H28 | C8 | O3 | H104 | 61.4° | 59.8° |
| H29 | C9 | O4 | H105 | 61.4° | 60.2° |
| H30 | C26 | C28 | H34 | 131.2° | 180.0° |
| H30 | C26 | C28 | H35 | 11.7° | 60.0° |
| H31 | C26 | C28 | H34 | 109.4° | 60.0° |
| H31 | C26 | C28 | H35 | 131.1° | 179.9° |
| H32 | C27 | C32 | H42 | 86.6° | 180.0° |
| H34 | C28 | C29 | H36 | 58.7° | 180.0° |
| H34 | C28 | C29 | H37 | 60.6° | 60.0° |
| H35 | C28 | C29 | H36 | 178.2° | 60.0° |
| H35 | C28 | C29 | H37 | 58.9° | NaN° |
| H36 | C29 | C30 | H38 | 122.4° | 180.0° |
| H36 | C29 | C30 | H39 | 3.0° | 60.0° |
| H37 | C29 | C30 | H38 | 118.3° | 59.9° |
| H37 | C29 | C30 | H39 | 122.3° | 180.0° |
| H38 | C30 | C31 | H40 | 136.0° | 180.0° |
| H38 | C30 | C31 | H41 | 16.8° | 60.0° |
| H39 | C30 | C31 | H40 | 104.6° | 60.0° |
| H39 | C30 | C31 | H41 | 136.2° | 180.0° |
| H40 | C31 | C33 | H44 | 160.6° | 180.0° |
| H40 | C31 | C33 | H45 | 80.1° | 60.0° |
| H41 | C31 | C33 | H44 | 41.5° | 59.9° |
| H41 | C31 | C33 | H45 | 160.8° | 180.0° |
| H42 | C32 | C35 | H48 | 141.9° | 180.0° |
| H44 | C33 | C34 | H46 | 145.6° | 180.0° |
| H44 | C33 | C34 | H47 | 26.3° | 60.0° |
| H45 | C33 | C34 | H46 | 95.1° | 60.0° |
| H45 | C33 | C34 | H47 | 145.6° | 180.0° |
| H46 | C34 | C36 | H50 | 59.6° | 180.0° |
| H46 | C34 | C36 | H51 | 179.6° | 60.0° |
| H46 | C34 | C36 | H52 | 60.4° | 60.0° |
| H47 | C34 | C36 | H50 | 59.6° | 59.9° |
| H47 | C34 | C36 | H51 | 60.4° | 180.0° |
| H47 | C34 | C36 | H52 | 179.7° | 60.1° |
| H50 | C36 | H51 | H52 | 120.0° | 120.1° |
| H54 | C38 | H55 | H56 | 120.0° | 120.0° |
| H57 | C39 | C40 | H59 | 149.8° | 180.0° |
| H59 | C40 | C41 | H61 | 165.9° | 180.0° |
| H64 | C43 | H65 | H66 | 120.0° | 119.9° |
| H67 | C44 | C51 | H71 | 141.7° | 180.0° |
| H69 | C49 | C50 | H70 | 0.1° | 0.1° |
| H71 | C51 | C57 | H86 | 62.9° | 0.0° |
| H73 | C52 | H74 | H75 | 120.0° | 120.0° |
| H76 | C53 | C56 | H84 | 132.5° | 180.0° |
| H78 | C54 | H79 | H80 | 120.0° | 120.0° |
| H81 | C55 | H82 | H83 | 120.0° | 120.0° |
| H86 | C57 | C59 | H89 | 174.8° | 180.0° |
| H91 | C60 | H92 | H93 | 120.0° | 120.0° |
| H94 | C61 | C63 | H97 | 144.6° | 175.3° |
| H97 | C63 | C64 | H99 | 88.7° | 4.1° |
| H101 | C65 | H102 | H103 | 120.0° | 119.9° |
