YJ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C81 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C81 | O80 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| O80 | C5 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.52Å | 1.51Å | |
| C79 | C6 | sing | 1.54Å | 1.53Å | |
| C5 | C6 | sing | 1.54Å | 1.54Å | |
| C5 | O9 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | sing | 1.52Å | 1.54Å | |
| O9 | C8 | sing | 1.44Å | 1.42Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C7 | C12 | sing | 1.52Å | 1.54Å | |
| C78 | C12 | sing | 1.52Å | 1.54Å | |
| C12 | C13 | sing | 1.54Å | 1.53Å | |
| C12 | C11 | sing | 1.54Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.54Å | 1.53Å | |
| C11 | C16 | sing | 1.52Å | 1.53Å | |
| C14 | C15 | sing | 1.52Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.54Å | 1.53Å | |
| C15 | C20 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.50Å | 1.50Å | |
| C77 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | doub | 1.30Å | 1.31Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C19 | C24 | sing | 1.52Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | O25 | sing | 1.43Å | 1.43Å | |
| O25 | C26 | sing | 1.43Å | 1.43Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| O71 | C70 | sing | 1.43Å | 1.42Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| O62 | C61 | sing | 1.43Å | 1.42Å | |
| C70 | C68 | sing | 1.53Å | 1.51Å | |
| C61 | C59 | sing | 1.53Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C28 | C53 | sing | 1.53Å | 1.50Å | |
| O69 | C68 | sing | 1.43Å | 1.44Å | |
| O69 | C64 | sing | 1.43Å | 1.41Å | |
| C29 | O30 | sing | 1.43Å | 1.43Å | |
| C68 | C67 | sing | 1.53Å | 1.53Å | |
| C59 | O60 | sing | 1.43Å | 1.43Å | |
| C59 | C58 | sing | 1.53Å | 1.52Å | |
| O60 | C55 | sing | 1.43Å | 1.41Å | |
| C53 | O54 | sing | 1.43Å | 1.43Å | |
| O63 | C64 | sing | 1.43Å | 1.40Å | |
| O63 | C58 | sing | 1.43Å | 1.43Å | |
| C64 | C65 | sing | 1.53Å | 1.52Å | |
| O30 | C31 | sing | 1.43Å | 1.39Å | |
| C67 | O72 | sing | 1.43Å | 1.42Å | |
| C67 | C66 | sing | 1.53Å | 1.52Å | |
| C55 | O54 | sing | 1.43Å | 1.39Å | |
| C55 | C56 | sing | 1.53Å | 1.52Å | |
| C58 | C57 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | O36 | sing | 1.43Å | 1.41Å | |
| C65 | C66 | sing | 1.53Å | 1.52Å | |
| C65 | O74 | sing | 1.43Å | 1.42Å | |
| C57 | C56 | sing | 1.53Å | 1.52Å | |
| C57 | O75 | sing | 1.43Å | 1.42Å | |
| O52 | C32 | sing | 1.43Å | 1.42Å | |
| C66 | O73 | sing | 1.43Å | 1.42Å | |
| C56 | O76 | sing | 1.43Å | 1.42Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| O36 | C35 | sing | 1.43Å | 1.43Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C35 | C37 | sing | 1.53Å | 1.51Å | |
| O38 | C37 | sing | 1.43Å | 1.42Å | |
| O39 | C34 | sing | 1.43Å | 1.43Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | O51 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.10Å | 1.10Å | |
| C11 | H9 | sing | 1.10Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.08Å | 1.10Å | |
| C14 | H13 | sing | 1.11Å | 1.10Å | |
| C15 | H14 | sing | 1.10Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.08Å | 1.10Å | |
| C22 | H24 | sing | 1.10Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C35 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.08Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C53 | H44 | sing | 1.09Å | 1.10Å | |
| C53 | H45 | sing | 1.09Å | 1.10Å | |
| C55 | H46 | sing | 1.09Å | 1.10Å | |
| C56 | H47 | sing | 1.09Å | 1.10Å | |
| C57 | H48 | sing | 1.09Å | 1.10Å | |
| C58 | H49 | sing | 1.09Å | 1.10Å | |
| C59 | H50 | sing | 1.09Å | 1.10Å | |
| C6 | H51 | sing | 1.08Å | 1.10Å | |
| C61 | H52 | sing | 1.09Å | 1.10Å | |
| C61 | H53 | sing | 1.09Å | 1.10Å | |
| C64 | H54 | sing | 1.09Å | 1.10Å | |
| C65 | H55 | sing | 1.09Å | 1.10Å | |
| C66 | H56 | sing | 1.09Å | 1.10Å | |
| C67 | H57 | sing | 1.09Å | 1.10Å | |
| C68 | H58 | sing | 1.09Å | 1.10Å | |
| C7 | H59 | sing | 1.11Å | 1.10Å | |
| C70 | H60 | sing | 1.09Å | 1.10Å | |
| C70 | H61 | sing | 1.09Å | 1.10Å | |
| C77 | H62 | sing | 1.09Å | 1.10Å | |
| C77 | H63 | sing | 1.09Å | 1.10Å | |
| C77 | H64 | sing | 1.09Å | 1.10Å | |
| C78 | H65 | sing | 1.09Å | 1.10Å | |
| C78 | H66 | sing | 1.09Å | 1.10Å | |
| C78 | H67 | sing | 1.09Å | 1.10Å | |
| C79 | H68 | sing | 1.09Å | 1.10Å | |
| C79 | H69 | sing | 1.09Å | 1.10Å | |
| C79 | H70 | sing | 1.09Å | 1.10Å | |
| C8 | H71 | sing | 1.11Å | 1.10Å | |
| C81 | H72 | sing | 1.09Å | 1.10Å | |
| C81 | H73 | sing | 1.09Å | 1.10Å | |
| O38 | H74 | sing | 0.97Å | 0.95Å | |
| O51 | H76 | sing | 0.97Å | 0.95Å | |
| O52 | H77 | sing | 0.97Å | 0.95Å | |
| O62 | H78 | sing | 0.97Å | 0.95Å | |
| O71 | H79 | sing | 0.97Å | 0.95Å | |
| O72 | H80 | sing | 0.97Å | 0.95Å | |
| O73 | H81 | sing | 0.97Å | 0.95Å | |
| O74 | H82 | sing | 0.97Å | 0.95Å | |
| O75 | H83 | sing | 0.97Å | 0.95Å | |
| O76 | H84 | sing | 0.97Å | 0.95Å | |
| O39 | C9 | sing | 1.43Å | 260.23Å | |
| C9 | C25 | sing | 1.53Å | 0.00Å | |
| C25 | C30 | sing | 1.53Å | 0.00Å | |
| C30 | C36 | sing | 1.53Å | 0.00Å | |
| C36 | C38 | sing | 1.53Å | 0.00Å | |
| C38 | O1 | sing | 1.43Å | 0.00Å | |
| O1 | C9 | sing | 1.43Å | 0.00Å | |
| C38 | C39 | sing | 1.53Å | 0.00Å | |
| C39 | O2 | sing | 1.43Å | 0.00Å | |
| C36 | O5 | sing | 1.43Å | 0.00Å | |
| C30 | O4 | sing | 1.43Å | 0.00Å | |
| C25 | O3 | sing | 1.43Å | 0.00Å | |
| C9 | H75 | sing | 1.09Å | 0.00Å | |
| C25 | H85 | sing | 1.09Å | 0.00Å | |
| C30 | H86 | sing | 1.09Å | 0.00Å | |
| C36 | H87 | sing | 1.09Å | 0.00Å | |
| C38 | H88 | sing | 1.09Å | 0.00Å | |
| C39 | H89 | sing | 1.09Å | 0.00Å | |
| C39 | H90 | sing | 1.09Å | 0.00Å | |
| O2 | H91 | sing | 0.97Å | 0.00Å | |
| O5 | H92 | sing | 0.97Å | 0.00Å | |
| O4 | H93 | sing | 0.97Å | 0.00Å | |
| O3 | H94 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C81 | 111.2° | 109.5° |
| C1 | C2 | C3 | 112.2° | 109.6° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 108.2° | 109.2° |
| C81 | C2 | C3 | 108.3° | 109.5° |
| C2 | C81 | O80 | 112.0° | 110.1° |
| C81 | C2 | H4 | 108.4° | 109.6° |
| C2 | C81 | H72 | 108.8° | 109.6° |
| C2 | C81 | H73 | 108.8° | 109.0° |
| C2 | C3 | C4 | 110.9° | 108.5° |
| C3 | C2 | H4 | 108.3° | 109.5° |
| C2 | C3 | H5 | 109.1° | 109.6° |
| C2 | C3 | H6 | 109.1° | 109.9° |
| C81 | O80 | C5 | 114.6° | 113.4° |
| O80 | C81 | H72 | 108.8° | 109.6° |
| O80 | C81 | H73 | 108.8° | 109.3° |
| C3 | C4 | C5 | 111.6° | 108.5° |
| C4 | C3 | H5 | 109.1° | 109.6° |
| C4 | C3 | H6 | 109.1° | 109.6° |
| C3 | C4 | H42 | 108.9° | 109.2° |
| C3 | C4 | H43 | 108.9° | 108.9° |
| O80 | C5 | C4 | 110.6° | 108.6° |
| O80 | C5 | C6 | 107.3° | 109.7° |
| O80 | C5 | O9 | 109.9° | 109.3° |
| C4 | C5 | C6 | 115.0° | 111.5° |
| C4 | C5 | O9 | 108.1° | 111.6° |
| C5 | C4 | H42 | 108.9° | 111.4° |
| C5 | C4 | H43 | 108.9° | 109.1° |
| C79 | C6 | C5 | 115.3° | 108.4° |
| C79 | C6 | C7 | 113.7° | 108.9° |
| C79 | C6 | H51 | 107.8° | 106.8° |
| C6 | C79 | H68 | 109.5° | 109.5° |
| C6 | C79 | H69 | 109.5° | 109.5° |
| C6 | C79 | H70 | 109.5° | 109.5° |
| C6 | C5 | O9 | 105.8° | 106.2° |
| C5 | C6 | C7 | 104.5° | 105.0° |
| C5 | C6 | H51 | 107.6° | 110.6° |
| C5 | O9 | C8 | 112.0° | 107.9° |
| C6 | C7 | C8 | 104.2° | 104.8° |
| C6 | C7 | C12 | 121.4° | 116.0° |
| C7 | C6 | H51 | 107.6° | 116.9° |
| C6 | C7 | H59 | 108.9° | 110.1° |
| O9 | C8 | C7 | 103.7° | 107.8° |
| O9 | C8 | C10 | 112.8° | 110.3° |
| O9 | C8 | H71 | 112.0° | 111.1° |
| C7 | C8 | C10 | 107.3° | 105.6° |
| C8 | C7 | C12 | 103.7° | 106.0° |
| C8 | C7 | H59 | 109.1° | 110.3° |
| C7 | C8 | H71 | 110.4° | 111.0° |
| C8 | C10 | C11 | 102.6° | 100.5° |
| C8 | C10 | H7 | 111.1° | 113.1° |
| C8 | C10 | H8 | 111.2° | 110.3° |
| C10 | C8 | H71 | 110.4° | 110.8° |
| C7 | C12 | C78 | 113.1° | 111.7° |
| C7 | C12 | C13 | 115.3° | 117.6° |
| C7 | C12 | C11 | 98.4° | 104.3° |
| C12 | C7 | H59 | 108.8° | 109.5° |
| C78 | C12 | C13 | 110.4° | 108.2° |
| C78 | C12 | C11 | 111.3° | 109.8° |
| C12 | C78 | H65 | 109.5° | 109.5° |
| C12 | C78 | H66 | 109.5° | 109.5° |
| C12 | C78 | H67 | 109.5° | 109.5° |
| C13 | C12 | C11 | 107.7° | 104.6° |
| C12 | C13 | C14 | 112.2° | 107.4° |
| C12 | C13 | H10 | 108.8° | 109.5° |
| C12 | C13 | H11 | 108.8° | 109.5° |
| C12 | C11 | C10 | 103.4° | 102.6° |
| C12 | C11 | C16 | 114.6° | 109.3° |
| C12 | C11 | H9 | 105.6° | 108.6° |
| C10 | C11 | C16 | 120.7° | 118.4° |
| C11 | C10 | H7 | 111.2° | 112.5° |
| C11 | C10 | H8 | 111.2° | 110.9° |
| C10 | C11 | H9 | 105.6° | 108.8° |
| C13 | C14 | C15 | 112.2° | 112.9° |
| C14 | C13 | H10 | 108.8° | 110.2° |
| C14 | C13 | H11 | 108.8° | 110.2° |
| C13 | C14 | H12 | 108.8° | 109.5° |
| C13 | C14 | H13 | 108.8° | 106.4° |
| C11 | C16 | C15 | 108.7° | 107.8° |
| C11 | C16 | C17 | 110.3° | 109.8° |
| C16 | C11 | H9 | 105.7° | 108.7° |
| C11 | C16 | H15 | 109.2° | 112.7° |
| C14 | C15 | C16 | 112.0° | 114.2° |
| C14 | C15 | C20 | 113.1° | 113.0° |
| C15 | C14 | H12 | 108.8° | 113.8° |
| C15 | C14 | H13 | 108.8° | 107.3° |
| C14 | C15 | H14 | 106.3° | 106.9° |
| C15 | C16 | C17 | 110.4° | 106.6° |
| C16 | C15 | C20 | 112.4° | 110.2° |
| C16 | C15 | H14 | 106.3° | 106.3° |
| C15 | C16 | H15 | 109.1° | 111.6° |
| C16 | C17 | C18 | 113.5° | 109.0° |
| C17 | C16 | H15 | 109.1° | 108.1° |
| C16 | C17 | H16 | 108.5° | 109.0° |
| C16 | C17 | H17 | 108.4° | 108.9° |
| C15 | C20 | C77 | 111.8° | 108.9° |
| C15 | C20 | C21 | 109.4° | 110.4° |
| C15 | C20 | C19 | 107.9° | 113.8° |
| C20 | C15 | H14 | 106.1° | 105.7° |
| C17 | C18 | C19 | 123.8° | 123.0° |
| C18 | C17 | H16 | 108.4° | 109.7° |
| C18 | C17 | H17 | 108.5° | 110.1° |
| C17 | C18 | H18 | 118.1° | 117.9° |
| C77 | C20 | C21 | 110.3° | 108.3° |
| C77 | C20 | C19 | 108.9° | 107.1° |
| C20 | C77 | H62 | 109.5° | 109.5° |
| C20 | C77 | H63 | 109.5° | 109.5° |
| C20 | C77 | H64 | 109.4° | 109.5° |
| C21 | C20 | C19 | 108.4° | 108.2° |
| C20 | C21 | C22 | 113.3° | 110.6° |
| C20 | C21 | H21 | 108.5° | 109.2° |
| C20 | C21 | H22 | 108.5° | 109.1° |
| C20 | C19 | C18 | 122.2° | 122.8° |
| C20 | C19 | C24 | 116.3° | 118.2° |
| C18 | C19 | C24 | 120.9° | 119.0° |
| C19 | C18 | H18 | 118.1° | 119.0° |
| C21 | C22 | C23 | 112.8° | 111.3° |
| C22 | C21 | H21 | 108.5° | 109.4° |
| C22 | C21 | H22 | 108.5° | 109.2° |
| C21 | C22 | H23 | 108.6° | 111.3° |
| C21 | C22 | H24 | 108.6° | 108.5° |
| C19 | C24 | C23 | 111.5° | 107.2° |
| C19 | C24 | H26 | 108.9° | 109.6° |
| C19 | C24 | H27 | 108.9° | 110.7° |
| C22 | C23 | C24 | 111.5° | 109.5° |
| C22 | C23 | O25 | 110.0° | 109.4° |
| C23 | C22 | H23 | 108.7° | 110.0° |
| C23 | C22 | H24 | 108.6° | 108.2° |
| C22 | C23 | H25 | 108.1° | 109.6° |
| C24 | C23 | O25 | 109.8° | 109.2° |
| C24 | C23 | H25 | 108.1° | 109.9° |
| C23 | C24 | H26 | 108.9° | 109.7° |
| C23 | C24 | H27 | 108.9° | 109.9° |
| C23 | O25 | C26 | 114.8° | 114.0° |
| O25 | C23 | H25 | 109.3° | 109.3° |
| O25 | C26 | C27 | 107.8° | 109.5° |
| O25 | C26 | H28 | 109.9° | 109.5° |
| O25 | C26 | H29 | 109.9° | 109.5° |
| C26 | C27 | C28 | 113.9° | 109.5° |
| C27 | C26 | H28 | 109.9° | 109.4° |
| C27 | C26 | H29 | 109.9° | 109.5° |
| C26 | C27 | H30 | 108.4° | 109.5° |
| C26 | C27 | H31 | 108.4° | 109.4° |
| O71 | C70 | C68 | 112.0° | 109.5° |
| O71 | C70 | H60 | 108.8° | 109.5° |
| O71 | C70 | H61 | 108.8° | 109.5° |
| C70 | O71 | H79 | 109.5° | 114.0° |
| C27 | C28 | C29 | 112.2° | 109.4° |
| C27 | C28 | C53 | 108.6° | 109.5° |
| C28 | C27 | H30 | 108.4° | 109.5° |
| C28 | C27 | H31 | 108.4° | 109.5° |
| C27 | C28 | H32 | 108.5° | 109.5° |
| O62 | C61 | C59 | 111.2° | 109.5° |
| O62 | C61 | H52 | 109.0° | 109.5° |
| O62 | C61 | H53 | 109.0° | 109.4° |
| C61 | O62 | H78 | 109.5° | 114.0° |
| C70 | C68 | O69 | 107.1° | 109.5° |
| C70 | C68 | C67 | 113.2° | 109.5° |
| C70 | C68 | H58 | 108.6° | 109.5° |
| C68 | C70 | H60 | 108.8° | 109.5° |
| C68 | C70 | H61 | 108.8° | 109.4° |
| C61 | C59 | O60 | 106.5° | 109.5° |
| C61 | C59 | C58 | 113.6° | 109.5° |
| C61 | C59 | H50 | 108.7° | 109.5° |
| C59 | C61 | H52 | 109.1° | 109.5° |
| C59 | C61 | H53 | 109.1° | 109.5° |
| C29 | C28 | C53 | 110.0° | 109.5° |
| C28 | C29 | O30 | 112.3° | 109.5° |
| C29 | C28 | H32 | 108.7° | 109.4° |
| C28 | C29 | H33 | 108.8° | 109.5° |
| C28 | C29 | H34 | 108.7° | 109.5° |
| C28 | C53 | O54 | 108.7° | 109.5° |
| C53 | C28 | H32 | 108.8° | 109.5° |
| C28 | C53 | H44 | 109.7° | 109.5° |
| C28 | C53 | H45 | 109.6° | 109.5° |
| C68 | O69 | C64 | 112.2° | 114.1° |
| O69 | C68 | C67 | 109.8° | 109.4° |
| O69 | C68 | H58 | 109.6° | 109.5° |
| O69 | C64 | O63 | 107.8° | 109.5° |
| O69 | C64 | C65 | 109.4° | 109.4° |
| O69 | C64 | H54 | 110.9° | 109.4° |
| C29 | O30 | C31 | 113.1° | 114.0° |
| O30 | C29 | H33 | 108.8° | 109.4° |
| O30 | C29 | H34 | 108.8° | 109.5° |
| C68 | C67 | O72 | 109.7° | 109.5° |
| C68 | C67 | C66 | 110.4° | 109.2° |
| C68 | C67 | H57 | 108.5° | 109.6° |
| C67 | C68 | H58 | 108.5° | 109.4° |
| O60 | C59 | C58 | 109.8° | 109.4° |
| C59 | O60 | C55 | 112.1° | 114.1° |
| O60 | C59 | H50 | 109.7° | 109.5° |
| C59 | C58 | O63 | 108.8° | 109.5° |
| C59 | C58 | C57 | 112.3° | 109.2° |
| C59 | C58 | H49 | 109.9° | 109.5° |
| C58 | C59 | H50 | 108.5° | 109.5° |
| O60 | C55 | O54 | 110.3° | 109.5° |
| O60 | C55 | C56 | 109.9° | 109.4° |
| O60 | C55 | H46 | 110.0° | 109.5° |
| C53 | O54 | C55 | 112.6° | 114.0° |
| O54 | C53 | H44 | 109.7° | 109.4° |
| O54 | C53 | H45 | 109.6° | 109.4° |
| C64 | O63 | C58 | 119.1° | 114.0° |
| O63 | C64 | C65 | 108.2° | 109.5° |
| O63 | C64 | H54 | 111.1° | 109.5° |
| O63 | C58 | C57 | 104.6° | 109.5° |
| O63 | C58 | H49 | 111.2° | 109.5° |
| C64 | C65 | C66 | 108.9° | 109.2° |
| C64 | C65 | O74 | 110.9° | 109.5° |
| C65 | C64 | H54 | 109.4° | 109.5° |
| C64 | C65 | H55 | 108.4° | 109.6° |
| O30 | C31 | C32 | 108.4° | 109.5° |
| O30 | C31 | O36 | 109.5° | 109.4° |
| O30 | C31 | H35 | 110.3° | 109.5° |
| O72 | C67 | C66 | 109.7° | 109.5° |
| O72 | C67 | H57 | 110.0° | 109.5° |
| C67 | O72 | H80 | 109.5° | 114.0° |
| C67 | C66 | C65 | 110.4° | 109.0° |
| C67 | C66 | O73 | 110.2° | 109.5° |
| C67 | C66 | H56 | 108.3° | 109.6° |
| C66 | C67 | H57 | 108.5° | 109.5° |
| O54 | C55 | C56 | 107.8° | 109.5° |
| O54 | C55 | H46 | 110.3° | 109.5° |
| C55 | C56 | C57 | 110.3° | 109.2° |
| C55 | C56 | O76 | 109.5° | 109.5° |
| C56 | C55 | H46 | 108.5° | 109.5° |
| C55 | C56 | H47 | 108.6° | 109.5° |
| C58 | C57 | C56 | 111.8° | 109.0° |
| C58 | C57 | O75 | 109.7° | 109.5° |
| C58 | C57 | H48 | 108.2° | 109.7° |
| C57 | C58 | H49 | 109.9° | 109.5° |
| C32 | C31 | O36 | 110.0° | 109.5° |
| C31 | C32 | O52 | 109.8° | 109.6° |
| C31 | C32 | C33 | 109.8° | 109.2° |
| C32 | C31 | H35 | 108.6° | 109.5° |
| C31 | C32 | H36 | 108.5° | 109.6° |
| C31 | O36 | C35 | 112.9° | 114.0° |
| O36 | C31 | H35 | 110.1° | 109.5° |
| C66 | C65 | O74 | 110.5° | 109.5° |
| C65 | C66 | O73 | 110.0° | 109.5° |
| C66 | C65 | H55 | 108.4° | 109.6° |
| C65 | C66 | H56 | 108.3° | 109.6° |
| O74 | C65 | H55 | 109.6° | 109.5° |
| C65 | O74 | H82 | 109.5° | 114.0° |
| C56 | C57 | O75 | 109.3° | 109.5° |
| C57 | C56 | O76 | 109.8° | 109.6° |
| C57 | C56 | H47 | 108.7° | 109.6° |
| C56 | C57 | H48 | 108.2° | 109.5° |
| O75 | C57 | H48 | 109.5° | 109.5° |
| C57 | O75 | H83 | 109.5° | 114.0° |
| O52 | C32 | C33 | 110.3° | 109.5° |
| O52 | C32 | H36 | 109.9° | 109.6° |
| C32 | O52 | H77 | 109.5° | 114.0° |
| O73 | C66 | H56 | 109.6° | 109.5° |
| C66 | O73 | H81 | 109.5° | 114.0° |
| O76 | C56 | H47 | 110.0° | 109.5° |
| C56 | O76 | H84 | 109.5° | 114.0° |
| C32 | C33 | C34 | 110.7° | 109.0° |
| C32 | C33 | O51 | 110.3° | 109.6° |
| C33 | C32 | H36 | 108.5° | 109.5° |
| C32 | C33 | H37 | 108.3° | 109.5° |
| O36 | C35 | C34 | 109.3° | 109.5° |
| O36 | C35 | C37 | 106.3° | 109.5° |
| O36 | C35 | H39 | 109.9° | 109.5° |
| C34 | C35 | C37 | 113.7° | 109.5° |
| C35 | C34 | O39 | 109.3° | 109.5° |
| C35 | C34 | C33 | 110.8° | 109.1° |
| C35 | C34 | H38 | 109.2° | 109.5° |
| C34 | C35 | H39 | 108.7° | 109.5° |
| C35 | C37 | O38 | 110.7° | 109.5° |
| C37 | C35 | H39 | 108.9° | 109.4° |
| C35 | C37 | H40 | 109.2° | 109.5° |
| C35 | C37 | H41 | 109.2° | 109.4° |
| O38 | C37 | H40 | 109.2° | 109.5° |
| O38 | C37 | H41 | 109.2° | 109.5° |
| C37 | O38 | H74 | 109.5° | 114.0° |
| O39 | C34 | C33 | 107.9° | 109.5° |
| O39 | C34 | H38 | 110.4° | 109.6° |
| C34 | O39 | C9 | 61.7° | 114.0° |
| C34 | C33 | O51 | 109.6° | 109.5° |
| C34 | C33 | H37 | 108.3° | 109.6° |
| C33 | C34 | H38 | 109.2° | 109.6° |
| O51 | C33 | H37 | 109.6° | 109.6° |
| C33 | O51 | H76 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.6° |
| H7 | C10 | H8 | 109.5° | 109.4° |
| H10 | C13 | H11 | 109.4° | 110.1° |
| H12 | C14 | H13 | 109.4° | 106.4° |
| H16 | C17 | H17 | 109.5° | 110.1° |
| H21 | C21 | H22 | 109.5° | 109.3° |
| H23 | C22 | H24 | 109.5° | 107.4° |
| H26 | C24 | H27 | 109.5° | 109.8° |
| H28 | C26 | H29 | 109.5° | 109.5° |
| H30 | C27 | H31 | 109.5° | 109.5° |
| H33 | C29 | H34 | 109.5° | 109.5° |
| H40 | C37 | H41 | 109.5° | 109.5° |
| H42 | C4 | H43 | 109.5° | 109.7° |
| H44 | C53 | H45 | 109.5° | 109.5° |
| H52 | C61 | H53 | 109.5° | 109.5° |
| H60 | C70 | H61 | 109.5° | 109.5° |
| H62 | C77 | H63 | 109.5° | 109.5° |
| H62 | C77 | H64 | 109.5° | 109.4° |
| H63 | C77 | H64 | 109.5° | 109.5° |
| H65 | C78 | H66 | 109.5° | 109.4° |
| H65 | C78 | H67 | 109.5° | 109.4° |
| H66 | C78 | H67 | 109.5° | 109.5° |
| H68 | C79 | H69 | 109.5° | 109.4° |
| H68 | C79 | H70 | 109.5° | 109.5° |
| H69 | C79 | H70 | 109.5° | 109.5° |
| H72 | C81 | H73 | 109.5° | 109.2° |
| O39 | C9 | C25 | 90.0° | 109.5° |
| O39 | C9 | O1 | 90.0° | 109.5° |
| O39 | C9 | H75 | 90.0° | 109.4° |
| C9 | C25 | C30 | 90.0° | 109.2° |
| C25 | C9 | O1 | 90.0° | 109.4° |
| C9 | C25 | O3 | 90.0° | 109.5° |
| C25 | C9 | H75 | 90.0° | 109.5° |
| C9 | C25 | H85 | 90.0° | 109.5° |
| C25 | C30 | C36 | 90.0° | 109.0° |
| C25 | C30 | O4 | 90.0° | 109.6° |
| C30 | C25 | O3 | 90.0° | 109.5° |
| C30 | C25 | H85 | 90.0° | 109.5° |
| C25 | C30 | H86 | 90.0° | 109.6° |
| C30 | C36 | C38 | 90.0° | 109.1° |
| C30 | C36 | O5 | 90.0° | 109.5° |
| C36 | C30 | O4 | 90.0° | 109.5° |
| C36 | C30 | H86 | 90.0° | 109.5° |
| C30 | C36 | H87 | 90.0° | 109.5° |
| C36 | C38 | O1 | 90.0° | 109.4° |
| C36 | C38 | C39 | 90.0° | 109.5° |
| C38 | C36 | O5 | 90.0° | 109.5° |
| C38 | C36 | H87 | 90.0° | 109.5° |
| C36 | C38 | H88 | 90.0° | 109.5° |
| C38 | O1 | C9 | 90.0° | 114.1° |
| O1 | C38 | C39 | 90.0° | 109.5° |
| O1 | C38 | H88 | 90.0° | 109.5° |
| O1 | C9 | H75 | 90.0° | 109.5° |
| C38 | C39 | O2 | 90.0° | 109.5° |
| C39 | C38 | H88 | 90.0° | 109.5° |
| C38 | C39 | H89 | 90.0° | 109.4° |
| C38 | C39 | H90 | 90.0° | 109.5° |
| O2 | C39 | H89 | 90.0° | 109.5° |
| O2 | C39 | H90 | 90.0° | 109.5° |
| C39 | O2 | H91 | 90.0° | 114.0° |
| O5 | C36 | H87 | 90.0° | 109.6° |
| C36 | O5 | H92 | 90.0° | 114.0° |
| O4 | C30 | H86 | 90.0° | 109.6° |
| C30 | O4 | H93 | 90.0° | 114.0° |
| O3 | C25 | H85 | 90.0° | 109.6° |
| C25 | O3 | H94 | 90.0° | 114.0° |
| H89 | C39 | H90 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C81 | C3 | 123.8° | 120.2° |
| C1 | C2 | C81 | H4 | 118.9° | 119.8° |
| C1 | C2 | C3 | H4 | 119.4° | 119.8° |
| C1 | C2 | C81 | O80 | 171.0° | 176.1° |
| C1 | C2 | C3 | C4 | 145.2° | 176.5° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 25.0° | 56.8° |
| C1 | C2 | C3 | H6 | 94.5° | 63.7° |
| C1 | C2 | C81 | H72 | 50.6° | 63.2° |
| C1 | C2 | C81 | H73 | 68.7° | 56.3° |
| C81 | C2 | C3 | H4 | 117.4° | 120.1° |
| C2 | C81 | O80 | H72 | 120.4° | 120.7° |
| C2 | C81 | O80 | H73 | 120.4° | 119.7° |
| C81 | C2 | C3 | C4 | 22.0° | 56.4° |
| C2 | C81 | O80 | C5 | 42.6° | 60.3° |
| C81 | C2 | C1 | H1 | 180.0° | 60.0° |
| C81 | C2 | C1 | H2 | 60.0° | 180.0° |
| C81 | C2 | C1 | H3 | 60.0° | 60.0° |
| C81 | C2 | C3 | H5 | 98.2° | 63.3° |
| C81 | C2 | C3 | H6 | 142.2° | 176.2° |
| C2 | C81 | H72 | H73 | 118.8° | 119.4° |
| C3 | C2 | C81 | O80 | 65.2° | 56.0° |
| C2 | C3 | C4 | H5 | 120.2° | 119.6° |
| C2 | C3 | C4 | H6 | 120.2° | 120.0° |
| C2 | C3 | C4 | C5 | 36.7° | 59.1° |
| C3 | C2 | C1 | H1 | 58.4° | 179.9° |
| C3 | C2 | C1 | H2 | 61.6° | 59.9° |
| C3 | C2 | C1 | H3 | 178.4° | 60.1° |
| C2 | C3 | H5 | H6 | 119.3° | 120.7° |
| C2 | C3 | C4 | H42 | 83.6° | 179.4° |
| C2 | C3 | C4 | H43 | 157.0° | 59.6° |
| C3 | C2 | C81 | H72 | 174.4° | 176.6° |
| C3 | C2 | C81 | H73 | 55.1° | 63.8° |
| C81 | O80 | C5 | C4 | 19.6° | 62.8° |
| C81 | O80 | C5 | C6 | 106.5° | 175.2° |
| C81 | O80 | C5 | O9 | 138.8° | 59.2° |
| O80 | C81 | C2 | H4 | 52.1° | 64.1° |
| O80 | C81 | H72 | H73 | 118.8° | 119.6° |
| C3 | C4 | C5 | O80 | 61.3° | 61.0° |
| C3 | C4 | C5 | H42 | 120.3° | 120.2° |
| C3 | C4 | C5 | H43 | 120.3° | 118.6° |
| C3 | C4 | C5 | C6 | 60.3° | 178.1° |
| C3 | C4 | C5 | O9 | 178.3° | 59.6° |
| C4 | C3 | C2 | H4 | 95.3° | 63.8° |
| C4 | C3 | H5 | H6 | 119.4° | 120.4° |
| C3 | C4 | H42 | H43 | 119.0° | 119.3° |
| O80 | C5 | C4 | C6 | 121.7° | 120.9° |
| O80 | C5 | C4 | O9 | 120.3° | 120.6° |
| O80 | C5 | C6 | C79 | 6.0° | 25.4° |
| O80 | C5 | C6 | O9 | 117.3° | 118.0° |
| O80 | C5 | C6 | C7 | 119.5° | 141.6° |
| O80 | C5 | O9 | C8 | 97.4° | 148.5° |
| O80 | C5 | C4 | H42 | 59.0° | 178.8° |
| O80 | C5 | C4 | H43 | 178.3° | 57.6° |
| O80 | C5 | C6 | H51 | 126.3° | 91.5° |
| C5 | O80 | C81 | H72 | 163.0° | 179.0° |
| C5 | O80 | C81 | H73 | 77.7° | 59.4° |
| C4 | C5 | C6 | C79 | 117.5° | 145.6° |
| C4 | C5 | C6 | O9 | 119.2° | 121.7° |
| C4 | C5 | C6 | C7 | 117.0° | 98.1° |
| C4 | C5 | O9 | C8 | 141.9° | 91.4° |
| C5 | C4 | C3 | H5 | 156.9° | 60.6° |
| C5 | C4 | C3 | H6 | 83.5° | 179.0° |
| C5 | C4 | H42 | H43 | 119.0° | 120.9° |
| C4 | C5 | C6 | H51 | 2.8° | 28.8° |
| C79 | C6 | C5 | C7 | 125.5° | 116.3° |
| C79 | C6 | C5 | H51 | 120.3° | 116.8° |
| C79 | C6 | C5 | O9 | 123.3° | 92.7° |
| C79 | C6 | C7 | H51 | 119.3° | 121.1° |
| C79 | C6 | C7 | C8 | 106.9° | 107.4° |
| C79 | C6 | C7 | C12 | 137.0° | 136.2° |
| C79 | C6 | C7 | H59 | 9.4° | 11.2° |
| C6 | C79 | H68 | H69 | 120.0° | 120.0° |
| C6 | C79 | H68 | H70 | 120.0° | 120.1° |
| C6 | C79 | H69 | H70 | 120.0° | 120.1° |
| C5 | C6 | C7 | H51 | 114.2° | 122.9° |
| C6 | C5 | O9 | C8 | 18.2° | 30.3° |
| C5 | C6 | C7 | C8 | 19.7° | 8.6° |
| C5 | C6 | C7 | C12 | 96.5° | 107.9° |
| C6 | C5 | C4 | H42 | 179.3° | 57.9° |
| C6 | C5 | C4 | H43 | 60.0° | 63.4° |
| C5 | C6 | C7 | H59 | 136.0° | 127.2° |
| C5 | C6 | C79 | H68 | 180.0° | 58.6° |
| C5 | C6 | C79 | H69 | 60.0° | 178.5° |
| C5 | C6 | C79 | H70 | 60.0° | 61.5° |
| O9 | C5 | C6 | C7 | 2.3° | 23.6° |
| C5 | O9 | C8 | C7 | 30.8° | 24.9° |
| C5 | O9 | C8 | C10 | 146.5° | 90.0° |
| O9 | C5 | C4 | H42 | 61.3° | 60.6° |
| O9 | C5 | C4 | H43 | 58.0° | 178.1° |
| O9 | C5 | C6 | H51 | 116.4° | 150.5° |
| C5 | O9 | C8 | H71 | 88.2° | 146.7° |
| C6 | C7 | C8 | O9 | 30.1° | 9.2° |
| C6 | C7 | C8 | C12 | 127.9° | 123.1° |
| C6 | C7 | C8 | H59 | 116.2° | 118.5° |
| C6 | C7 | C8 | C10 | 149.6° | 108.8° |
| C6 | C7 | C12 | H59 | 127.6° | 125.3° |
| C6 | C7 | C12 | C78 | 41.8° | 11.3° |
| C6 | C7 | C12 | C13 | 86.5° | 114.7° |
| C6 | C7 | C12 | C11 | 159.3° | 129.9° |
| C7 | C6 | C79 | H68 | 59.4° | 55.1° |
| C7 | C6 | C79 | H69 | 179.4° | 64.8° |
| C7 | C6 | C79 | H70 | 60.6° | 175.1° |
| C6 | C7 | C8 | H71 | 90.1° | 131.1° |
| O9 | C8 | C7 | C10 | 119.5° | 117.9° |
| O9 | C8 | C7 | H71 | 120.2° | 121.9° |
| O9 | C8 | C10 | H71 | 126.2° | 123.5° |
| O9 | C8 | C7 | C12 | 97.8° | 132.3° |
| O9 | C8 | C10 | C11 | 122.2° | 153.3° |
| O9 | C8 | C10 | H7 | 118.9° | 33.2° |
| O9 | C8 | C10 | H8 | 3.3° | 89.6° |
| O9 | C8 | C7 | H59 | 146.3° | 109.3° |
| C7 | C8 | C10 | H71 | 120.3° | 120.3° |
| C8 | C7 | C12 | H59 | 116.0° | 118.9° |
| C8 | C7 | C12 | C78 | 74.7° | 104.4° |
| C8 | C7 | C12 | C13 | 157.1° | 129.5° |
| C8 | C7 | C12 | C11 | 42.8° | 14.2° |
| C7 | C8 | C10 | C11 | 8.7° | 37.1° |
| C7 | C8 | C10 | H7 | 127.6° | 83.0° |
| C7 | C8 | C10 | H8 | 110.2° | 154.2° |
| C8 | C7 | C6 | H51 | 133.8° | 131.5° |
| C10 | C8 | C7 | C12 | 21.7° | 14.4° |
| C8 | C10 | C11 | C12 | 36.3° | 45.7° |
| C8 | C10 | C11 | H7 | 118.9° | 120.5° |
| C8 | C10 | C11 | H8 | 118.9° | 116.7° |
| C8 | C10 | C11 | C16 | 166.0° | 166.1° |
| C8 | C10 | H7 | H8 | 123.2° | 123.4° |
| C8 | C10 | C11 | H9 | 74.4° | 69.2° |
| C10 | C8 | C7 | H59 | 94.2° | 132.8° |
| C7 | C12 | C78 | C13 | 130.8° | 131.1° |
| C7 | C12 | C78 | C11 | 109.6° | 115.3° |
| C7 | C12 | C13 | C11 | 108.7° | 115.1° |
| C7 | C12 | C11 | C10 | 49.1° | 37.6° |
| C7 | C12 | C13 | C14 | 163.6° | 178.8° |
| C7 | C12 | C11 | C16 | 177.6° | 164.1° |
| C7 | C12 | C11 | H9 | 61.6° | 77.5° |
| C7 | C12 | C13 | H10 | 76.0° | 59.2° |
| C7 | C12 | C13 | H11 | 43.2° | 61.6° |
| C12 | C7 | C6 | H51 | 17.7° | 15.0° |
| C7 | C12 | C78 | H65 | 180.0° | 178.4° |
| C7 | C12 | C78 | H66 | 60.0° | 61.6° |
| C7 | C12 | C78 | H67 | 60.0° | 58.4° |
| C12 | C7 | C8 | H71 | 142.0° | 105.8° |
| C78 | C12 | C13 | C11 | 121.7° | 117.1° |
| C78 | C12 | C11 | C10 | 69.8° | 82.3° |
| C78 | C12 | C13 | C14 | 66.8° | 51.0° |
| C78 | C12 | C11 | C16 | 63.6° | 44.2° |
| C78 | C12 | C11 | H9 | 179.5° | 162.6° |
| C78 | C12 | C13 | H10 | 53.7° | 68.6° |
| C78 | C12 | C13 | H11 | 172.8° | 170.6° |
| C78 | C12 | C7 | H59 | 169.3° | 136.6° |
| C12 | C78 | H65 | H66 | 120.0° | 120.0° |
| C12 | C78 | H65 | H67 | 120.0° | 120.0° |
| C12 | C78 | H66 | H67 | 120.0° | 120.1° |
| C13 | C12 | C11 | C10 | 169.1° | 161.7° |
| C12 | C13 | C14 | H10 | 120.4° | 119.2° |
| C12 | C13 | C14 | H11 | 120.4° | 119.2° |
| C13 | C12 | C11 | C16 | 57.6° | 71.8° |
| C12 | C13 | C14 | C15 | 55.4° | 56.0° |
| C13 | C12 | C11 | H9 | 58.4° | 46.7° |
| C12 | C13 | H10 | H11 | 118.8° | 120.4° |
| C12 | C13 | C14 | H12 | 65.0° | 71.9° |
| C12 | C13 | C14 | H13 | 175.8° | 173.5° |
| C13 | C12 | C7 | H59 | 41.1° | 10.6° |
| C13 | C12 | C78 | H65 | 49.2° | 47.3° |
| C13 | C12 | C78 | H66 | 169.2° | 167.3° |
| C13 | C12 | C78 | H67 | 70.8° | 72.7° |
| C12 | C11 | C10 | C16 | 129.7° | 120.4° |
| C12 | C11 | C10 | H9 | 110.7° | 114.9° |
| C11 | C12 | C13 | C14 | 54.9° | 66.1° |
| C12 | C11 | C16 | H9 | 115.9° | 118.4° |
| C12 | C11 | C16 | C15 | 57.0° | 62.2° |
| C12 | C11 | C16 | C17 | 178.1° | 178.0° |
| C12 | C11 | C10 | H7 | 155.2° | 74.8° |
| C12 | C11 | C10 | H8 | 82.6° | 162.4° |
| C11 | C12 | C13 | H10 | 175.4° | 174.3° |
| C11 | C12 | C13 | H11 | 65.5° | 53.6° |
| C12 | C11 | C16 | H15 | 61.9° | 61.4° |
| C11 | C12 | C7 | H59 | 73.2° | 104.7° |
| C11 | C12 | C78 | H65 | 70.4° | 66.4° |
| C11 | C12 | C78 | H66 | 49.6° | 53.6° |
| C11 | C12 | C78 | H67 | 169.6° | 173.6° |
| C10 | C11 | C16 | H9 | 119.5° | 124.8° |
| C10 | C11 | C16 | C15 | 178.4° | 179.1° |
| C10 | C11 | C16 | C17 | 57.3° | 65.2° |
| C11 | C10 | H7 | H8 | 123.2° | 123.7° |
| C10 | C11 | C16 | H15 | 62.7° | 55.4° |
| C11 | C10 | C8 | H71 | 111.6° | 83.2° |
| C13 | C14 | C15 | H12 | 120.4° | 125.6° |
| C13 | C14 | C15 | H13 | 120.4° | 116.9° |
| C13 | C14 | C15 | C16 | 54.2° | 48.4° |
| C13 | C14 | C15 | C20 | 177.5° | 175.4° |
| C14 | C13 | H10 | H11 | 118.7° | 121.6° |
| C13 | C14 | H12 | H13 | 118.7° | 114.6° |
| C13 | C14 | C15 | H14 | 61.5° | 68.8° |
| C11 | C16 | C15 | C14 | 53.4° | 49.8° |
| C11 | C16 | C15 | C17 | 121.0° | 117.8° |
| C11 | C16 | C15 | H15 | 119.0° | 124.3° |
| C11 | C16 | C17 | H15 | 120.0° | 123.3° |
| C11 | C16 | C15 | C20 | 177.9° | 178.2° |
| C11 | C16 | C17 | C18 | 159.3° | 175.8° |
| C16 | C11 | C10 | H7 | 75.1° | 45.6° |
| C16 | C11 | C10 | H8 | 47.1° | 77.2° |
| C11 | C16 | C15 | H14 | 62.4° | 67.8° |
| C11 | C16 | C17 | H16 | 38.7° | 56.1° |
| C11 | C16 | C17 | H17 | 80.1° | 64.0° |
| C14 | C15 | C16 | C20 | 128.7° | 128.4° |
| C14 | C15 | C16 | H14 | 115.7° | 117.5° |
| C14 | C15 | C16 | C17 | 174.4° | 167.6° |
| C14 | C15 | C20 | H14 | 116.2° | 116.6° |
| C14 | C15 | C20 | C77 | 61.3° | 45.8° |
| C14 | C15 | C20 | C21 | 61.2° | 72.9° |
| C14 | C15 | C20 | C19 | 178.9° | 165.2° |
| C15 | C14 | C13 | H10 | 175.8° | 175.2° |
| C15 | C14 | C13 | H11 | 65.0° | 63.2° |
| C15 | C14 | H12 | H13 | 118.8° | 118.0° |
| C14 | C15 | C16 | H15 | 65.6° | 74.6° |
| C15 | C16 | C17 | H15 | 119.9° | 120.1° |
| C16 | C15 | C20 | H14 | 115.7° | 114.4° |
| C15 | C16 | C17 | C18 | 39.2° | 59.3° |
| C16 | C15 | C20 | C77 | 66.8° | 83.2° |
| C16 | C15 | C20 | C21 | 170.7° | 158.0° |
| C16 | C15 | C20 | C19 | 53.0° | 36.2° |
| C15 | C16 | C11 | H9 | 58.9° | 56.2° |
| C16 | C15 | C14 | H12 | 66.2° | 77.2° |
| C16 | C15 | C14 | H13 | 174.6° | 165.3° |
| C15 | C16 | C17 | H16 | 81.4° | 60.4° |
| C15 | C16 | C17 | H17 | 159.8° | 179.5° |
| C17 | C16 | C15 | C20 | 56.9° | 64.0° |
| C16 | C17 | C18 | H16 | 120.6° | 119.3° |
| C16 | C17 | C18 | H17 | 120.6° | 119.4° |
| C16 | C17 | C18 | C19 | 23.1° | 28.9° |
| C17 | C16 | C11 | H9 | 62.2° | 59.6° |
| C17 | C16 | C15 | H14 | 58.7° | 50.0° |
| C16 | C17 | H16 | H17 | 118.1° | 119.4° |
| C16 | C17 | C18 | H18 | 156.9° | 150.9° |
| C15 | C20 | C77 | C21 | 122.0° | 120.1° |
| C15 | C20 | C77 | C19 | 119.2° | 123.5° |
| C15 | C20 | C21 | C19 | 117.4° | 125.1° |
| C15 | C20 | C19 | C18 | 35.9° | 3.6° |
| C15 | C20 | C21 | C22 | 176.6° | 177.5° |
| C15 | C20 | C19 | C24 | 136.0° | 176.4° |
| C20 | C15 | C14 | H12 | 62.1° | 49.7° |
| C20 | C15 | C14 | H13 | 57.1° | 67.7° |
| C20 | C15 | C16 | H15 | 63.0° | 53.8° |
| C15 | C20 | C21 | H21 | 62.9° | 62.1° |
| C15 | C20 | C21 | H22 | 56.0° | 57.3° |
| C15 | C20 | C77 | H62 | 180.0° | 60.0° |
| C15 | C20 | C77 | H63 | 60.0° | 180.0° |
| C15 | C20 | C77 | H64 | 60.0° | 59.9° |
| C17 | C18 | C19 | C20 | 22.3° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C17 | C18 | C19 | C24 | 149.2° | 179.9° |
| C18 | C17 | C16 | H15 | 80.7° | 60.9° |
| C18 | C17 | H16 | H17 | 118.2° | 121.3° |
| C77 | C20 | C21 | C19 | 119.2° | 115.8° |
| C77 | C20 | C19 | C18 | 85.7° | 116.7° |
| C77 | C20 | C21 | C22 | 60.1° | 63.4° |
| C77 | C20 | C19 | C24 | 102.4° | 63.2° |
| C77 | C20 | C15 | H14 | 177.4° | 162.4° |
| C77 | C20 | C21 | H21 | 60.5° | 57.1° |
| C77 | C20 | C21 | H22 | 179.4° | 176.4° |
| C20 | C77 | H62 | H63 | 120.0° | 120.0° |
| C20 | C77 | H62 | H64 | 120.0° | 120.0° |
| C20 | C77 | H63 | H64 | 119.9° | 120.0° |
| C21 | C20 | C19 | C18 | 154.3° | 126.7° |
| C20 | C21 | C22 | H21 | 120.6° | 120.4° |
| C20 | C21 | C22 | H22 | 120.6° | 120.1° |
| C21 | C20 | C19 | C24 | 17.7° | 53.3° |
| C20 | C21 | C22 | C23 | 40.6° | 59.8° |
| C21 | C20 | C15 | H14 | 54.9° | 43.6° |
| C20 | C21 | H21 | H22 | 118.3° | 119.3° |
| C20 | C21 | C22 | H23 | 79.9° | 63.3° |
| C20 | C21 | C22 | H24 | 161.1° | 178.8° |
| C21 | C20 | C77 | H62 | 58.0° | 60.1° |
| C21 | C20 | C77 | H63 | 178.1° | 60.0° |
| C21 | C20 | C77 | H64 | 62.0° | 180.0° |
| C20 | C19 | C18 | C24 | 171.6° | 179.9° |
| C19 | C20 | C21 | C22 | 59.1° | 52.3° |
| C20 | C19 | C24 | C23 | 39.4° | 55.3° |
| C19 | C20 | C15 | H14 | 62.8° | 78.2° |
| C20 | C19 | C18 | H18 | 157.7° | 179.7° |
| C19 | C20 | C21 | H21 | 179.7° | 172.8° |
| C19 | C20 | C21 | H22 | 61.4° | 67.8° |
| C20 | C19 | C24 | H26 | 80.9° | 174.3° |
| C20 | C19 | C24 | H27 | 159.7° | 64.5° |
| C19 | C20 | C77 | H62 | 60.8° | 176.5° |
| C19 | C20 | C77 | H63 | 59.2° | 56.5° |
| C19 | C20 | C77 | H64 | 179.2° | 63.5° |
| C18 | C19 | C24 | C23 | 148.5° | 124.8° |
| C19 | C18 | C17 | H16 | 97.5° | 90.4° |
| C19 | C18 | C17 | H17 | 143.7° | 148.3° |
| C18 | C19 | C24 | H26 | 91.2° | 5.7° |
| C18 | C19 | C24 | H27 | 28.2° | 115.4° |
| C21 | C22 | C23 | H23 | 120.5° | 123.8° |
| C21 | C22 | C23 | H24 | 120.5° | 119.2° |
| C21 | C22 | C23 | C24 | 18.2° | 61.7° |
| C21 | C22 | C23 | O25 | 103.9° | 178.7° |
| C22 | C21 | H21 | H22 | 118.2° | 119.5° |
| C21 | C22 | H23 | H24 | 118.5° | 118.6° |
| C21 | C22 | C23 | H25 | 136.9° | 58.9° |
| C19 | C24 | C23 | C22 | 58.7° | 55.9° |
| C19 | C24 | C23 | H26 | 120.3° | 118.9° |
| C19 | C24 | C23 | H27 | 120.3° | 120.3° |
| C19 | C24 | C23 | O25 | 63.5° | 175.7° |
| C24 | C19 | C18 | H18 | 30.8° | 0.3° |
| C19 | C24 | C23 | H25 | 177.4° | 64.4° |
| C19 | C24 | H26 | H27 | 119.1° | 121.7° |
| C22 | C23 | C24 | O25 | 122.2° | 119.7° |
| C22 | C23 | C24 | H25 | 118.7° | 120.4° |
| C22 | C23 | O25 | H25 | 118.5° | 119.9° |
| C22 | C23 | O25 | C26 | 159.3° | 150.0° |
| C23 | C22 | C21 | H21 | 161.2° | 179.9° |
| C23 | C22 | C21 | H22 | 80.0° | 60.3° |
| C23 | C22 | H23 | H24 | 118.5° | 117.6° |
| C22 | C23 | C24 | H26 | 61.6° | 174.9° |
| C22 | C23 | C24 | H27 | 179.0° | 64.4° |
| C24 | C23 | O25 | H25 | 118.4° | 120.3° |
| C24 | C23 | O25 | C26 | 36.2° | 90.2° |
| C24 | C23 | C22 | H23 | 138.7° | 62.1° |
| C24 | C23 | C22 | H24 | 102.3° | 179.1° |
| C23 | C24 | H26 | H27 | 119.1° | 120.8° |
| C23 | O25 | C26 | C27 | 140.6° | 180.0° |
| O25 | C23 | C22 | H23 | 16.6° | 57.5° |
| O25 | C23 | C22 | H24 | 135.6° | 59.5° |
| O25 | C23 | C24 | H26 | 176.2° | 65.4° |
| O25 | C23 | C24 | H27 | 56.8° | 55.4° |
| C23 | O25 | C26 | H28 | 20.9° | 60.0° |
| C23 | O25 | C26 | H29 | 99.6° | 60.0° |
| O25 | C26 | C27 | H28 | 119.8° | 120.0° |
| O25 | C26 | C27 | H29 | 119.7° | 120.1° |
| O25 | C26 | C27 | C28 | 73.8° | 180.0° |
| C26 | O25 | C23 | H25 | 82.2° | 30.1° |
| O25 | C26 | H28 | H29 | 120.7° | 120.1° |
| O25 | C26 | C27 | H30 | 165.6° | 59.9° |
| O25 | C26 | C27 | H31 | 46.9° | 60.0° |
| C26 | C27 | C28 | H30 | 120.7° | 120.0° |
| C26 | C27 | C28 | H31 | 120.7° | 119.9° |
| C26 | C27 | C28 | C29 | 87.3° | 65.0° |
| C26 | C27 | C28 | C53 | 150.9° | 175.0° |
| C27 | C26 | H28 | H29 | 120.8° | 119.9° |
| C26 | C27 | H30 | H31 | 118.0° | 119.9° |
| C26 | C27 | C28 | H32 | 32.8° | 54.9° |
| O71 | C70 | C68 | H60 | 120.4° | 120.0° |
| O71 | C70 | C68 | H61 | 120.4° | 120.0° |
| O71 | C70 | C68 | O69 | 1.9° | 65.0° |
| O71 | C70 | C68 | C67 | 119.3° | 175.0° |
| O71 | C70 | C68 | H58 | 120.2° | 55.0° |
| O71 | C70 | H60 | H61 | 118.8° | 120.0° |
| C27 | C28 | C29 | C53 | 121.0° | 120.0° |
| C27 | C28 | C29 | H32 | 120.0° | 120.0° |
| C27 | C28 | C53 | H32 | 118.0° | 120.1° |
| C27 | C28 | C29 | O30 | 168.0° | 175.0° |
| C27 | C28 | C53 | O54 | 119.4° | 175.0° |
| C28 | C27 | C26 | H28 | 46.0° | 60.0° |
| C28 | C27 | C26 | H29 | 166.5° | 59.9° |
| C28 | C27 | H30 | H31 | 118.0° | 120.0° |
| C27 | C28 | C29 | H33 | 71.5° | 55.0° |
| C27 | C28 | C29 | H34 | 47.6° | 65.0° |
| C27 | C28 | C53 | H44 | 0.5° | 65.0° |
| C27 | C28 | C53 | H45 | 120.8° | 55.1° |
| O62 | C61 | C59 | H52 | 120.3° | 120.0° |
| O62 | C61 | C59 | H53 | 120.2° | 120.0° |
| O62 | C61 | C59 | O60 | 48.8° | 64.5° |
| O62 | C61 | C59 | C58 | 169.8° | 175.6° |
| O62 | C61 | C59 | H50 | 69.3° | 55.6° |
| O62 | C61 | H52 | H53 | 119.2° | 120.0° |
| C70 | C68 | O69 | C67 | 123.3° | 120.0° |
| C70 | C68 | O69 | H58 | 117.7° | 120.0° |
| C70 | C68 | O69 | C64 | 174.7° | 178.9° |
| C70 | C68 | C67 | H58 | 120.6° | 120.0° |
| C70 | C68 | C67 | O72 | 65.0° | 62.5° |
| C70 | C68 | C67 | C66 | 174.0° | 177.6° |
| C70 | C68 | C67 | H57 | 55.2° | 57.7° |
| C68 | C70 | H60 | H61 | 118.8° | 120.0° |
| C68 | C70 | O71 | H79 | 180.0° | 180.0° |
| C61 | C59 | O60 | C58 | 123.4° | 120.0° |
| C61 | C59 | O60 | H50 | 117.5° | 120.1° |
| C61 | C59 | C58 | H50 | 121.0° | 120.1° |
| C61 | C59 | O60 | C55 | 174.0° | 178.9° |
| C61 | C59 | C58 | O63 | 73.7° | 62.5° |
| C61 | C59 | C58 | C57 | 171.0° | 177.6° |
| C61 | C59 | C58 | H49 | 48.3° | 57.7° |
| C59 | C61 | H52 | H53 | 119.2° | 120.0° |
| C59 | C61 | O62 | H78 | 180.0° | 180.0° |
| C29 | C28 | C53 | H32 | 118.9° | 120.0° |
| C28 | C29 | O30 | H33 | 120.4° | 120.0° |
| C28 | C29 | O30 | H34 | 120.4° | 120.0° |
| C29 | C28 | C53 | O54 | 117.5° | 65.0° |
| C28 | C29 | O30 | C31 | 105.0° | 180.0° |
| C29 | C28 | C27 | H30 | 152.0° | 55.0° |
| C29 | C28 | C27 | H31 | 33.3° | 175.0° |
| C28 | C29 | H33 | H34 | 118.7° | 120.0° |
| C29 | C28 | C53 | H44 | 122.6° | 55.0° |
| C29 | C28 | C53 | H45 | 2.3° | 175.0° |
| C53 | C28 | C29 | O30 | 71.0° | 65.0° |
| C28 | C53 | O54 | H44 | 119.9° | 120.0° |
| C28 | C53 | O54 | H45 | 119.9° | 120.0° |
| C28 | C53 | O54 | C55 | 93.1° | 180.0° |
| C53 | C28 | C27 | H30 | 30.3° | 65.0° |
| C53 | C28 | C27 | H31 | 88.4° | 55.1° |
| C53 | C28 | C29 | H33 | 49.4° | 175.0° |
| C53 | C28 | C29 | H34 | 168.6° | 55.0° |
| C28 | C53 | H44 | H45 | 120.3° | 120.1° |
| O69 | C68 | C67 | H58 | 119.8° | 120.0° |
| C68 | O69 | C64 | O63 | 52.3° | 58.9° |
| C68 | O69 | C64 | C65 | 65.1° | 61.1° |
| O69 | C68 | C67 | O72 | 175.4° | 177.5° |
| O69 | C68 | C67 | C66 | 54.4° | 57.6° |
| C68 | O69 | C64 | H54 | 174.1° | 178.9° |
| O69 | C68 | C67 | H57 | 64.4° | 62.3° |
| O69 | C68 | C70 | H60 | 122.2° | 175.0° |
| O69 | C68 | C70 | H61 | 118.5° | 55.0° |
| C64 | O69 | C68 | C67 | 62.0° | 61.1° |
| O69 | C64 | O63 | C65 | 118.2° | 120.0° |
| O69 | C64 | O63 | H54 | 121.7° | 119.9° |
| O69 | C64 | O63 | C58 | 154.7° | 65.3° |
| O69 | C64 | C65 | H54 | 121.7° | 120.0° |
| O69 | C64 | C65 | C66 | 60.1° | 57.6° |
| O69 | C64 | C65 | O74 | 178.0° | 177.5° |
| O69 | C64 | C65 | H55 | 57.6° | 62.3° |
| C64 | O69 | C68 | H58 | 57.0° | 58.8° |
| C29 | O30 | C31 | C32 | 146.8° | 175.0° |
| C29 | O30 | C31 | O36 | 93.1° | 65.0° |
| O30 | C29 | C28 | H32 | 48.0° | 55.0° |
| O30 | C29 | H33 | H34 | 118.7° | 120.0° |
| C29 | O30 | C31 | H35 | 28.1° | 55.0° |
| C68 | C67 | O72 | C66 | 121.5° | 119.7° |
| C68 | C67 | O72 | H57 | 119.3° | 120.2° |
| C68 | C67 | C66 | H57 | 118.8° | 120.0° |
| C68 | C67 | C66 | C65 | 52.2° | 57.0° |
| C68 | C67 | C66 | O73 | 173.9° | 176.8° |
| C68 | C67 | C66 | H56 | 66.2° | 62.9° |
| C67 | C68 | C70 | H60 | 1.1° | 55.0° |
| C67 | C68 | C70 | H61 | 120.4° | 65.0° |
| C68 | C67 | O72 | H80 | 180.0° | 179.7° |
| O60 | C59 | C58 | H50 | 119.9° | 120.0° |
| O60 | C59 | C58 | O63 | 167.2° | 177.5° |
| C59 | O60 | C55 | O54 | 175.4° | 178.9° |
| C59 | O60 | C55 | C56 | 65.9° | 61.2° |
| O60 | C59 | C58 | C57 | 51.9° | 57.6° |
| C59 | O60 | C55 | H46 | 53.5° | 58.8° |
| O60 | C59 | C58 | H49 | 70.8° | 62.3° |
| O60 | C59 | C61 | H52 | 71.4° | 175.5° |
| O60 | C59 | C61 | H53 | 169.1° | 55.5° |
| C58 | C59 | O60 | C55 | 62.6° | 61.2° |
| C59 | C58 | O63 | C64 | 106.6° | 155.0° |
| C59 | C58 | O63 | C57 | 120.2° | 119.7° |
| C59 | C58 | O63 | H49 | 121.2° | 120.2° |
| C59 | C58 | C57 | H49 | 122.7° | 120.0° |
| C59 | C58 | C57 | C56 | 46.4° | 57.0° |
| C59 | C58 | C57 | O75 | 167.8° | 176.9° |
| C59 | C58 | C57 | H48 | 72.7° | 62.9° |
| C58 | C59 | C61 | H52 | 49.5° | 55.6° |
| C58 | C59 | C61 | H53 | 70.0° | 64.4° |
| O60 | C55 | O54 | C53 | 96.7° | 65.1° |
| O60 | C55 | O54 | C56 | 120.0° | 119.9° |
| O60 | C55 | O54 | H46 | 121.7° | 120.0° |
| O60 | C55 | C56 | H46 | 120.3° | 120.0° |
| O60 | C55 | C56 | C57 | 57.4° | 57.6° |
| O60 | C55 | C56 | O76 | 178.2° | 177.6° |
| O60 | C55 | C56 | H47 | 61.6° | 62.4° |
| C55 | O60 | C59 | H50 | 56.6° | 58.8° |
| C53 | O54 | C55 | C56 | 143.3° | 175.0° |
| O54 | C53 | C28 | H32 | 1.4° | 55.0° |
| O54 | C53 | H44 | H45 | 120.3° | 119.9° |
| C53 | O54 | C55 | H46 | 25.0° | 54.9° |
| O63 | C64 | C65 | H54 | 121.2° | 120.0° |
| C64 | O63 | C58 | C57 | 133.3° | 85.3° |
| O63 | C64 | C65 | C66 | 57.0° | 62.4° |
| O63 | C64 | C65 | O74 | 64.9° | 57.5° |
| C64 | O63 | C58 | H49 | 14.7° | 34.8° |
| O63 | C64 | C65 | H55 | 174.7° | 177.7° |
| C58 | O63 | C64 | C65 | 87.1° | 174.7° |
| O63 | C58 | C57 | H49 | 119.5° | 120.1° |
| O63 | C58 | C57 | C56 | 164.2° | 176.9° |
| O63 | C58 | C57 | O75 | 74.4° | 63.2° |
| O63 | C58 | C57 | H48 | 45.1° | 57.0° |
| O63 | C58 | C59 | H50 | 47.3° | 57.6° |
| C58 | O63 | C64 | H54 | 33.0° | 54.6° |
| C64 | C65 | C66 | C67 | 54.4° | 57.0° |
| C64 | C65 | C66 | O74 | 122.1° | 119.9° |
| C64 | C65 | C66 | H55 | 117.7° | 120.0° |
| C64 | C65 | O74 | H55 | 119.7° | 120.2° |
| C64 | C65 | C66 | O73 | 176.3° | 176.9° |
| C64 | C65 | C66 | H56 | 64.0° | 62.9° |
| C64 | C65 | O74 | H82 | 180.0° | 60.0° |
| O30 | C31 | C32 | O36 | 119.7° | 120.0° |
| O30 | C31 | C32 | H35 | 119.8° | 120.0° |
| O30 | C31 | O36 | H35 | 121.4° | 120.0° |
| O30 | C31 | C32 | O52 | 107.4° | 62.5° |
| O30 | C31 | C32 | C33 | 131.2° | 177.6° |
| O30 | C31 | O36 | C35 | 173.3° | 178.9° |
| C31 | O30 | C29 | H33 | 15.4° | 60.0° |
| C31 | O30 | C29 | H34 | 134.6° | 60.0° |
| O30 | C31 | C32 | H36 | 12.7° | 57.7° |
| O72 | C67 | C66 | H57 | 120.1° | 120.1° |
| O72 | C67 | C66 | C65 | 173.2° | 176.9° |
| O72 | C67 | C66 | O73 | 65.0° | 63.2° |
| O72 | C67 | C66 | H56 | 54.8° | 57.0° |
| O72 | C67 | C68 | H58 | 55.7° | 57.5° |
| C67 | C66 | C65 | O73 | 121.9° | 119.9° |
| C67 | C66 | C65 | H56 | 118.3° | 120.0° |
| C67 | C66 | C65 | O74 | 176.5° | 176.9° |
| C67 | C66 | O73 | H56 | 119.1° | 120.3° |
| C67 | C66 | C65 | H55 | 63.3° | 63.0° |
| C66 | C67 | C68 | H58 | 65.3° | 62.4° |
| C66 | C67 | O72 | H80 | 58.5° | 60.0° |
| C67 | C66 | O73 | H81 | 180.0° | 179.6° |
| O54 | C55 | C56 | H46 | 119.4° | 120.1° |
| O54 | C55 | C56 | C57 | 177.6° | 177.6° |
| O54 | C55 | C56 | O76 | 61.5° | 62.5° |
| C55 | O54 | C53 | H44 | 26.8° | 60.0° |
| C55 | O54 | C53 | H45 | 147.1° | 60.0° |
| O54 | C55 | C56 | H47 | 58.6° | 57.5° |
| C55 | C56 | C57 | C58 | 48.3° | 57.0° |
| C55 | C56 | C57 | O76 | 120.7° | 119.9° |
| C55 | C56 | C57 | H47 | 119.0° | 120.0° |
| C55 | C56 | C57 | O75 | 170.0° | 176.9° |
| C55 | C56 | O76 | H47 | 119.3° | 120.1° |
| C55 | C56 | C57 | H48 | 70.8° | 63.0° |
| C55 | C56 | O76 | H84 | 180.0° | 59.9° |
| C58 | C57 | C56 | O75 | 121.7° | 119.8° |
| C58 | C57 | C56 | H48 | 119.1° | 120.0° |
| C58 | C57 | O75 | H48 | 118.7° | 120.3° |
| C58 | C57 | C56 | O76 | 168.9° | 176.9° |
| C58 | C57 | C56 | H47 | 70.7° | 63.0° |
| C57 | C58 | C59 | H50 | 68.0° | 62.3° |
| C58 | C57 | O75 | H83 | 180.0° | 179.5° |
| C32 | C31 | O36 | H35 | 119.6° | 120.0° |
| C31 | C32 | O52 | C33 | 121.2° | 119.7° |
| C31 | C32 | O52 | H36 | 119.3° | 120.2° |
| C31 | C32 | C33 | H36 | 118.5° | 120.0° |
| C32 | C31 | O36 | C35 | 67.6° | 61.1° |
| C31 | C32 | C33 | C34 | 46.5° | 57.0° |
| C31 | C32 | C33 | O51 | 75.0° | 176.8° |
| C31 | C32 | C33 | H37 | 165.1° | 62.9° |
| C31 | C32 | O52 | H77 | 180.0° | 60.0° |
| O36 | C31 | C32 | O52 | 132.9° | 177.5° |
| O36 | C31 | C32 | C33 | 11.5° | 57.6° |
| C31 | O36 | C35 | C34 | 57.5° | 61.1° |
| C31 | O36 | C35 | C37 | 179.5° | 178.9° |
| O36 | C31 | C32 | H36 | 107.0° | 62.3° |
| C31 | O36 | C35 | H39 | 61.8° | 58.9° |
| C66 | C65 | O74 | H55 | 119.4° | 120.2° |
| C65 | C66 | O73 | H56 | 119.0° | 120.2° |
| C66 | C65 | C64 | H54 | 178.2° | 177.6° |
| C65 | C66 | C67 | H57 | 66.7° | 63.0° |
| C65 | C66 | O73 | H81 | 58.0° | 60.0° |
| C66 | C65 | O74 | H82 | 59.1° | 179.7° |
| O74 | C65 | C66 | O73 | 61.6° | 63.2° |
| O74 | C65 | C64 | H54 | 56.3° | 62.5° |
| O74 | C65 | C66 | H56 | 58.2° | 56.9° |
| C56 | C57 | O75 | H48 | 118.4° | 120.2° |
| C57 | C56 | O76 | H47 | 119.5° | 120.2° |
| C57 | C56 | C55 | H46 | 62.9° | 62.4° |
| C56 | C57 | C58 | H49 | 76.3° | 62.9° |
| C56 | C57 | O75 | H83 | 57.1° | 59.9° |
| C57 | C56 | O76 | H84 | 58.9° | 179.7° |
| O75 | C57 | C56 | O76 | 69.4° | 63.2° |
| O75 | C57 | C56 | H47 | 51.0° | 56.9° |
| O75 | C57 | C58 | H49 | 45.1° | 56.9° |
| O52 | C32 | C33 | H36 | 120.4° | 120.1° |
| O52 | C32 | C33 | C34 | 74.7° | 176.9° |
| O52 | C32 | C33 | O51 | 163.9° | 63.3° |
| O52 | C32 | C31 | H35 | 12.4° | 57.5° |
| O52 | C32 | C33 | H37 | 43.9° | 57.1° |
| O73 | C66 | C65 | H55 | 58.6° | 56.9° |
| O73 | C66 | C67 | H57 | 55.1° | 56.9° |
| O76 | C56 | C55 | H46 | 57.9° | 57.6° |
| O76 | C56 | C57 | H48 | 49.8° | 56.9° |
| C32 | C33 | C34 | C35 | 56.0° | 57.0° |
| C32 | C33 | C34 | O39 | 63.6° | 176.9° |
| C32 | C33 | C34 | O51 | 121.8° | 119.9° |
| C32 | C33 | C34 | H37 | 118.6° | 119.9° |
| C32 | C33 | O51 | H37 | 119.2° | 120.3° |
| C33 | C32 | C31 | H35 | 109.0° | 62.4° |
| C32 | C33 | C34 | H38 | 176.3° | 62.9° |
| C32 | C33 | O51 | H76 | 180.0° | 49.3° |
| C33 | C32 | O52 | H77 | 58.8° | 179.7° |
| O36 | C35 | C34 | C37 | 118.6° | 120.0° |
| O36 | C35 | C34 | H39 | 120.0° | 120.0° |
| O36 | C35 | C37 | H39 | 118.4° | 120.0° |
| O36 | C35 | C37 | O38 | 38.2° | 65.0° |
| O36 | C35 | C34 | O39 | 113.4° | 177.6° |
| O36 | C35 | C34 | C33 | 5.4° | 57.6° |
| C35 | O36 | C31 | H35 | 51.9° | 58.9° |
| O36 | C35 | C34 | H38 | 125.7° | 62.3° |
| O36 | C35 | C37 | H40 | 158.4° | 175.0° |
| O36 | C35 | C37 | H41 | 82.0° | 55.0° |
| C34 | C35 | C37 | H39 | 121.3° | 120.0° |
| C34 | C35 | C37 | O38 | 158.5° | 175.0° |
| C35 | C34 | O39 | C33 | 120.6° | 119.7° |
| C35 | C34 | O39 | H38 | 120.2° | 120.1° |
| C35 | C34 | C33 | H38 | 120.3° | 119.9° |
| C35 | C34 | C33 | O51 | 65.9° | 176.9° |
| C35 | C34 | C33 | H37 | 174.6° | 62.9° |
| C34 | C35 | C37 | H40 | 81.3° | 55.0° |
| C34 | C35 | C37 | H41 | 38.3° | 65.0° |
| C35 | C34 | O39 | C9 | 71.0° | 100.5° |
| C35 | C37 | O38 | H40 | 120.2° | 120.0° |
| C35 | C37 | O38 | H41 | 120.2° | 120.0° |
| C37 | C35 | C34 | O39 | 128.0° | 62.4° |
| C37 | C35 | C34 | C33 | 113.2° | 177.6° |
| C37 | C35 | C34 | H38 | 7.1° | 57.7° |
| C35 | C37 | H40 | H41 | 119.4° | 119.9° |
| C35 | C37 | O38 | H74 | 180.0° | 180.0° |
| O38 | C37 | C35 | H39 | 80.2° | 55.0° |
| O38 | C37 | H40 | H41 | 119.4° | 120.0° |
| O39 | C34 | C33 | H38 | 120.1° | 120.2° |
| O39 | C34 | C33 | O51 | 174.5° | 63.2° |
| O39 | C34 | C33 | H37 | 55.0° | 57.0° |
| O39 | C34 | C35 | H39 | 6.6° | 57.5° |
| C34 | O39 | C9 | C25 | 90.0° | 162.0° |
| C34 | O39 | C9 | O1 | 90.0° | 78.1° |
| C34 | O39 | C9 | H75 | 90.0° | 41.9° |
| C34 | C33 | O51 | H37 | 118.7° | 120.2° |
| C34 | C33 | C32 | H36 | 165.0° | 63.0° |
| C33 | C34 | C35 | H39 | 125.4° | 62.4° |
| C34 | C33 | O51 | H76 | 57.9° | 168.8° |
| C33 | C34 | O39 | C9 | 49.5° | 139.9° |
| O51 | C33 | C32 | H36 | 43.5° | 56.9° |
| O51 | C33 | C34 | H38 | 54.5° | 57.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 61.1° | 60.0° |
| H2 | C1 | C2 | H4 | 178.9° | 60.0° |
| H3 | C1 | C2 | H4 | 59.0° | 180.0° |
| H4 | C2 | C3 | H5 | 144.5° | 176.6° |
| H4 | C2 | C3 | H6 | 24.9° | 56.1° |
| H4 | C2 | C81 | H72 | 68.3° | 56.6° |
| H4 | C2 | C81 | H73 | 172.5° | 176.1° |
| H5 | C3 | C4 | H42 | 36.6° | 61.0° |
| H5 | C3 | C4 | H43 | 82.8° | 179.3° |
| H6 | C3 | C4 | H42 | 156.2° | 59.4° |
| H6 | C3 | C4 | H43 | 36.8° | 60.3° |
| H7 | C10 | C11 | H9 | 44.4° | 170.3° |
| H7 | C10 | C8 | H71 | 7.3° | 156.7° |
| H8 | C10 | C11 | H9 | 166.7° | 47.5° |
| H8 | C10 | C8 | H71 | 129.5° | 33.9° |
| H9 | C11 | C16 | H15 | 177.9° | 179.8° |
| H10 | C13 | C14 | H12 | 55.4° | 47.3° |
| H10 | C13 | C14 | H13 | 63.7° | 67.3° |
| H11 | C13 | C14 | H12 | 174.6° | 168.9° |
| H11 | C13 | C14 | H13 | 55.4° | 54.3° |
| H12 | C14 | C15 | H14 | 178.1° | 165.6° |
| H13 | C14 | C15 | H14 | 58.9° | 48.2° |
| H14 | C15 | C16 | H15 | 178.6° | 167.9° |
| H15 | C16 | C17 | H16 | 158.7° | 179.4° |
| H15 | C16 | C17 | H17 | 39.9° | 59.3° |
| H16 | C17 | C18 | H18 | 82.5° | 89.9° |
| H17 | C17 | C18 | H18 | 36.3° | 31.5° |
| H21 | C21 | C22 | H23 | 40.6° | 57.1° |
| H21 | C21 | C22 | H24 | 78.4° | 60.8° |
| H22 | C21 | C22 | H23 | 159.5° | 176.6° |
| H22 | C21 | C22 | H24 | 40.5° | 58.7° |
| H23 | C22 | C23 | H25 | 102.7° | 177.3° |
| H24 | C22 | C23 | H25 | 16.4° | 60.3° |
| H25 | C23 | C24 | H26 | 57.1° | 54.5° |
| H25 | C23 | C24 | H27 | 62.3° | 175.3° |
| H28 | C26 | C27 | H30 | 74.7° | 60.1° |
| H28 | C26 | C27 | H31 | 166.6° | 180.0° |
| H29 | C26 | C27 | H30 | 45.8° | 180.0° |
| H29 | C26 | C27 | H31 | 72.9° | 60.1° |
| H30 | C27 | C28 | H32 | 87.9° | 175.0° |
| H31 | C27 | C28 | H32 | 153.4° | 65.0° |
| H32 | C28 | C29 | H33 | 168.4° | 65.0° |
| H32 | C28 | C29 | H34 | 72.4° | 175.0° |
| H32 | C28 | C53 | H44 | 118.5° | 174.9° |
| H32 | C28 | C53 | H45 | 121.3° | 65.0° |
| H35 | C31 | C32 | H36 | 132.5° | 177.7° |
| H36 | C32 | C33 | H37 | 76.4° | 177.2° |
| H36 | C32 | O52 | H77 | 60.7° | 60.2° |
| H37 | C33 | C34 | H38 | 65.1° | 177.2° |
| H37 | C33 | O51 | H76 | 60.8° | 71.0° |
| H38 | C34 | C35 | H39 | 114.3° | 177.7° |
| H38 | C34 | O39 | C9 | 168.8° | 19.7° |
| H39 | C35 | C37 | H40 | 40.0° | 65.1° |
| H39 | C35 | C37 | H41 | 159.6° | 175.0° |
| H40 | C37 | O38 | H74 | 59.8° | 60.0° |
| H41 | C37 | O38 | H74 | 59.8° | 60.0° |
| H46 | C55 | C56 | H47 | 178.1° | 177.6° |
| H47 | C56 | C57 | H48 | 170.2° | 177.0° |
| H47 | C56 | O76 | H84 | 60.7° | 60.1° |
| H48 | C57 | C58 | H49 | 164.6° | 177.1° |
| H48 | C57 | O75 | H83 | 61.3° | 60.2° |
| H49 | C58 | C59 | H50 | 169.3° | 177.7° |
| H50 | C59 | C61 | H52 | 170.4° | 64.4° |
| H50 | C59 | C61 | H53 | 50.9° | 175.5° |
| H51 | C6 | C7 | H59 | 109.8° | 109.9° |
| H51 | C6 | C79 | H68 | 59.8° | 177.8° |
| H51 | C6 | C79 | H69 | 60.2° | 62.2° |
| H51 | C6 | C79 | H70 | 179.8° | 57.8° |
| H52 | C61 | O62 | H78 | 59.7° | 60.0° |
| H53 | C61 | O62 | H78 | 59.7° | 60.0° |
| H54 | C64 | C65 | H55 | 64.1° | 57.6° |
| H55 | C65 | C66 | H56 | 178.3° | 177.1° |
| H55 | C65 | O74 | H82 | 60.3° | 60.2° |
| H56 | C66 | C67 | H57 | 175.0° | 177.1° |
| H56 | C66 | O73 | H81 | 61.0° | 60.2° |
| H57 | C67 | C68 | H58 | 175.8° | 177.7° |
| H57 | C67 | O72 | H80 | 60.7° | 60.1° |
| H58 | C68 | C70 | H60 | 119.4° | 65.0° |
| H58 | C68 | C70 | H61 | 0.1° | 175.0° |
| H59 | C7 | C8 | H71 | 26.1° | 12.6° |
| H60 | C70 | O71 | H79 | 59.6° | 60.0° |
| H61 | C70 | O71 | H79 | 59.6° | 60.0° |
| H62 | C77 | H63 | H64 | 120.0° | 120.0° |
| H65 | C78 | H66 | H67 | 120.0° | 119.9° |
| H68 | C79 | H69 | H70 | 120.0° | 120.0° |
| O39 | C9 | C25 | O1 | 90.0° | 120.0° |
| O39 | C9 | C25 | H75 | 90.0° | 120.0° |
| O39 | C9 | C25 | C30 | 90.0° | 62.4° |
| O39 | C9 | O1 | C38 | 90.0° | 58.9° |
| O39 | C9 | O1 | H75 | 90.0° | 120.0° |
| O39 | C9 | C25 | O3 | 90.0° | 177.7° |
| O39 | C9 | C25 | H85 | 90.0° | 57.5° |
| C9 | C25 | C30 | O3 | 90.0° | 119.9° |
| C9 | C25 | C30 | H85 | 90.0° | 119.9° |
| C9 | C25 | C30 | C36 | 90.0° | 57.0° |
| C25 | C9 | O1 | C38 | 90.0° | 61.1° |
| C25 | C9 | O1 | H75 | 90.0° | 120.1° |
| C9 | C25 | C30 | O4 | 90.0° | 176.8° |
| C9 | C25 | O3 | H85 | 90.0° | 120.2° |
| C9 | C25 | C30 | H86 | 90.0° | 62.9° |
| C9 | C25 | O3 | H94 | 90.0° | 60.0° |
| C25 | C30 | C36 | O4 | 90.0° | 119.9° |
| C25 | C30 | C36 | H86 | 90.0° | 119.9° |
| C25 | C30 | C36 | C38 | 90.0° | 57.0° |
| C30 | C25 | C9 | O1 | 90.0° | 57.6° |
| C25 | C30 | C36 | O5 | 90.0° | 62.9° |
| C25 | C30 | O4 | H86 | 90.0° | 120.3° |
| C30 | C25 | O3 | H85 | 90.0° | 120.1° |
| C30 | C25 | C9 | H75 | 90.0° | 177.6° |
| C25 | C30 | C36 | H87 | 90.0° | 176.9° |
| C25 | C30 | O4 | H93 | 90.0° | 60.1° |
| C30 | C25 | O3 | H94 | 90.0° | 179.7° |
| C30 | C36 | C38 | O5 | 90.0° | 119.9° |
| C30 | C36 | C38 | H87 | 90.0° | 119.8° |
| C30 | C36 | C38 | O1 | 90.0° | 57.6° |
| C30 | C36 | C38 | C39 | 90.0° | 177.6° |
| C30 | C36 | O5 | H87 | 90.0° | 120.1° |
| C36 | C30 | O4 | H86 | 90.0° | 120.2° |
| C36 | C30 | C25 | O3 | 90.0° | 62.9° |
| C36 | C30 | C25 | H85 | 90.0° | 176.9° |
| C30 | C36 | C38 | H88 | 90.0° | 62.4° |
| C30 | C36 | O5 | H92 | 90.0° | 60.0° |
| C36 | C30 | O4 | H93 | 90.0° | 179.6° |
| C36 | C38 | O1 | C39 | 90.0° | 120.0° |
| C36 | C38 | O1 | H88 | 90.0° | 120.0° |
| C36 | C38 | O1 | C9 | 90.0° | 61.1° |
| C36 | C38 | C39 | H88 | 90.0° | 120.1° |
| C36 | C38 | C39 | O2 | 90.0° | 174.2° |
| C38 | C36 | O5 | H87 | 90.0° | 120.2° |
| C38 | C36 | C30 | O4 | 90.0° | 176.9° |
| C38 | C36 | C30 | H86 | 90.0° | 62.9° |
| C36 | C38 | C39 | H89 | 90.0° | 65.8° |
| C36 | C38 | C39 | H90 | 90.0° | 54.1° |
| C38 | C36 | O5 | H92 | 90.0° | 179.7° |
| O1 | C38 | C39 | H88 | 90.0° | 120.0° |
| O1 | C38 | C39 | O2 | 90.0° | 65.9° |
| O1 | C38 | C36 | O5 | 90.0° | 62.3° |
| C38 | O1 | C9 | H75 | 90.0° | 178.8° |
| O1 | C38 | C36 | H87 | 90.0° | 177.5° |
| O1 | C38 | C39 | H89 | 90.0° | 54.1° |
| O1 | C38 | C39 | H90 | 90.0° | 174.1° |
| C9 | O1 | C38 | C39 | 90.0° | 178.9° |
| O1 | C9 | C25 | O3 | 90.0° | 62.3° |
| O1 | C9 | C25 | H85 | 90.0° | 177.5° |
| C9 | O1 | C38 | H88 | 90.0° | 58.9° |
| C38 | C39 | O2 | H89 | 90.0° | 120.0° |
| C38 | C39 | O2 | H90 | 90.0° | 120.0° |
| C39 | C38 | C36 | O5 | 90.0° | 57.7° |
| C39 | C38 | C36 | H87 | 90.0° | 62.6° |
| C38 | C39 | H89 | H90 | 90.0° | 120.0° |
| C38 | C39 | O2 | H91 | 90.0° | 180.0° |
| O2 | C39 | C38 | H88 | 90.0° | 54.1° |
| O2 | C39 | H89 | H90 | 90.0° | 120.0° |
| O5 | C36 | C30 | O4 | 90.0° | 56.9° |
| O5 | C36 | C30 | H86 | 90.0° | 177.2° |
| O5 | C36 | C38 | H88 | 90.0° | 177.7° |
| O4 | C30 | C25 | O3 | 90.0° | 56.9° |
| O4 | C30 | C25 | H85 | 90.0° | 63.2° |
| O4 | C30 | C36 | H87 | 90.0° | 63.3° |
| O3 | C25 | C9 | H75 | 90.0° | 57.7° |
| O3 | C25 | C30 | H86 | 90.0° | 177.2° |
| H75 | C9 | C25 | H85 | 90.0° | 62.5° |
| H85 | C25 | C30 | H86 | 90.0° | 57.1° |
| H85 | C25 | O3 | H94 | 90.0° | 60.2° |
| H86 | C30 | C36 | H87 | 90.0° | 57.0° |
| H86 | C30 | O4 | H93 | 90.0° | 60.2° |
| H87 | C36 | C38 | H88 | 90.0° | 57.5° |
| H87 | C36 | O5 | H92 | 90.0° | 60.2° |
| H88 | C38 | C39 | H89 | 90.0° | 174.1° |
| H88 | C38 | C39 | H90 | 90.0° | 66.0° |
| H89 | C39 | O2 | H91 | 90.0° | 60.0° |
| H90 | C39 | O2 | H91 | 90.0° | 60.0° |
