YUY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C5 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C5 | O | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| O | C4 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C4 | C25 | sing | 1.54Å | 1.53Å | |
| C4 | O1 | sing | 1.47Å | 1.42Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| O1 | C6 | sing | 1.44Å | 1.43Å | |
| C24 | C6 | sing | 1.55Å | 1.54Å | |
| C24 | C22 | sing | 1.53Å | 1.55Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C9 | C19 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C19 | C17 | sing | 1.52Å | 1.56Å | |
| C10 | C11 | sing | 1.50Å | 1.50Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | doub | 1.30Å | 1.32Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.52Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C27 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C43 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C43 | O14 | sing | 1.43Å | 1.42Å | |
| O3 | C30 | sing | 1.43Å | 1.43Å | |
| O3 | C31 | sing | 1.43Å | 1.40Å | |
| O13 | C32 | sing | 1.43Å | 1.42Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C31 | O4 | sing | 1.43Å | 1.41Å | |
| O4 | C35 | sing | 1.43Å | 1.44Å | |
| O12 | C33 | sing | 1.43Å | 1.42Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| O5 | C36 | sing | 1.43Å | 1.42Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | O6 | sing | 1.43Å | 1.44Å | |
| O10 | C39 | sing | 1.43Å | 1.42Å | |
| O6 | C37 | sing | 1.43Å | 1.41Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C37 | O7 | sing | 1.43Å | 1.42Å | |
| C42 | O8 | sing | 1.43Å | 1.42Å | |
| C42 | C41 | sing | 1.53Å | 1.51Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C38 | O11 | sing | 1.43Å | 1.42Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| O7 | C41 | sing | 1.43Å | 1.44Å | |
| C41 | C40 | sing | 1.53Å | 1.53Å | |
| C40 | O9 | sing | 1.43Å | 1.42Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| O5 | H13 | sing | 0.97Å | 0.95Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| O8 | H16 | sing | 0.97Å | 0.95Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| O9 | H18 | sing | 0.97Å | 0.95Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| O10 | H21 | sing | 0.97Å | 0.95Å | |
| C11 | H22 | sing | 1.08Å | 1.08Å | |
| O11 | H23 | sing | 0.97Å | 0.95Å | |
| O12 | H24 | sing | 0.97Å | 0.95Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| O13 | H27 | sing | 0.97Å | 0.95Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| O14 | H29 | sing | 0.97Å | 0.95Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C19 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C20 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| C21 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H43 | sing | 1.09Å | 1.10Å | |
| C23 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C26 | H47 | sing | 1.09Å | 1.10Å | |
| C26 | H48 | sing | 1.09Å | 1.10Å | |
| C26 | H49 | sing | 1.09Å | 1.10Å | |
| C27 | H50 | sing | 1.09Å | 1.10Å | |
| C27 | H51 | sing | 1.09Å | 1.10Å | |
| C28 | H52 | sing | 1.09Å | 1.10Å | |
| C28 | H53 | sing | 1.09Å | 1.10Å | |
| C29 | H54 | sing | 1.09Å | 1.10Å | |
| C30 | H55 | sing | 1.09Å | 1.10Å | |
| C30 | H56 | sing | 1.09Å | 1.10Å | |
| C31 | H57 | sing | 1.09Å | 1.10Å | |
| C32 | H58 | sing | 1.09Å | 1.10Å | |
| C33 | H59 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | H61 | sing | 1.09Å | 1.10Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C38 | H65 | sing | 1.09Å | 1.10Å | |
| C39 | H66 | sing | 1.09Å | 1.10Å | |
| C40 | H67 | sing | 1.09Å | 1.10Å | |
| C41 | H68 | sing | 1.09Å | 1.10Å | |
| C42 | H69 | sing | 1.09Å | 1.10Å | |
| C42 | H70 | sing | 1.09Å | 1.10Å | |
| C43 | H71 | sing | 1.09Å | 1.10Å | |
| C43 | H72 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C5 | 111.0° | 109.5° |
| C | C1 | C2 | 112.0° | 109.6° |
| C1 | C | H7 | 109.5° | 109.5° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H9 | 109.4° | 109.4° |
| C | C1 | H10 | 108.2° | 109.5° |
| C5 | C1 | C2 | 108.9° | 109.2° |
| C1 | C5 | O | 112.0° | 109.4° |
| C1 | C5 | H2 | 108.8° | 109.4° |
| C1 | C5 | H3 | 108.8° | 109.6° |
| C5 | C1 | H10 | 108.4° | 109.5° |
| C1 | C2 | C3 | 111.7° | 108.6° |
| C1 | C2 | H5 | 108.9° | 109.6° |
| C1 | C2 | H6 | 108.9° | 109.7° |
| C2 | C1 | H10 | 108.3° | 109.6° |
| C5 | O | C4 | 113.8° | 114.0° |
| O | C5 | H2 | 108.8° | 109.5° |
| O | C5 | H3 | 108.8° | 109.5° |
| C2 | C3 | C4 | 111.7° | 108.9° |
| C3 | C2 | H5 | 108.9° | 109.6° |
| C3 | C2 | H6 | 108.9° | 109.6° |
| C2 | C3 | H11 | 108.9° | 109.6° |
| C2 | C3 | H12 | 108.9° | 109.6° |
| O | C4 | C3 | 110.6° | 111.6° |
| O | C4 | C25 | 107.4° | 110.5° |
| O | C4 | O1 | 110.0° | 110.2° |
| C3 | C4 | C25 | 115.6° | 110.4° |
| C3 | C4 | O1 | 108.4° | 110.6° |
| C4 | C3 | H11 | 108.9° | 109.6° |
| C4 | C3 | H12 | 108.9° | 109.6° |
| C26 | C25 | C4 | 114.9° | 111.2° |
| C26 | C25 | C24 | 114.4° | 111.2° |
| C26 | C25 | H46 | 108.0° | 111.1° |
| C25 | C26 | H47 | 109.5° | 109.4° |
| C25 | C26 | H48 | 109.5° | 109.4° |
| C25 | C26 | H49 | 109.4° | 109.5° |
| C25 | C4 | O1 | 104.7° | 103.2° |
| C4 | C25 | C24 | 103.6° | 100.5° |
| C4 | C25 | H46 | 107.9° | 111.2° |
| C4 | O1 | C6 | 106.8° | 104.5° |
| C25 | C24 | C6 | 104.4° | 103.4° |
| C25 | C24 | C22 | 120.4° | 109.2° |
| C25 | C24 | H45 | 109.1° | 113.1° |
| C24 | C25 | H46 | 107.8° | 111.2° |
| O1 | C6 | C24 | 104.6° | 107.8° |
| O1 | C6 | C7 | 112.1° | 108.9° |
| O1 | C6 | H4 | 111.7° | 111.3° |
| C6 | C24 | C22 | 104.3° | 104.7° |
| C24 | C6 | C7 | 107.8° | 106.1° |
| C24 | C6 | H4 | 110.1° | 111.2° |
| C6 | C24 | H45 | 109.1° | 113.0° |
| C24 | C22 | C23 | 111.9° | 109.9° |
| C24 | C22 | C21 | 115.5° | 116.3° |
| C24 | C22 | C8 | 99.9° | 103.1° |
| C22 | C24 | H45 | 109.0° | 112.7° |
| C6 | C7 | C8 | 102.5° | 101.8° |
| C7 | C6 | H4 | 110.3° | 111.3° |
| C6 | C7 | H14 | 111.2° | 111.0° |
| C6 | C7 | H15 | 111.2° | 111.0° |
| C23 | C22 | C21 | 110.6° | 109.9° |
| C23 | C22 | C8 | 111.7° | 110.0° |
| C22 | C23 | H42 | 109.5° | 109.5° |
| C22 | C23 | H43 | 109.5° | 109.4° |
| C22 | C23 | H44 | 109.5° | 109.5° |
| C21 | C22 | C8 | 106.7° | 107.4° |
| C22 | C21 | C20 | 112.1° | 107.3° |
| C22 | C21 | H40 | 108.8° | 109.9° |
| C22 | C21 | H41 | 108.8° | 109.9° |
| C22 | C8 | C7 | 103.6° | 101.0° |
| C22 | C8 | C9 | 114.7° | 107.5° |
| C22 | C8 | H1 | 105.7° | 110.7° |
| C7 | C8 | C9 | 120.2° | 115.8° |
| C7 | C8 | H1 | 105.8° | 110.7° |
| C8 | C7 | H14 | 111.2° | 110.9° |
| C8 | C7 | H15 | 111.2° | 111.0° |
| C21 | C20 | C19 | 113.4° | 111.3° |
| C21 | C20 | H38 | 108.5° | 109.1° |
| C21 | C20 | H39 | 108.5° | 109.2° |
| C20 | C21 | H40 | 108.8° | 109.9° |
| C20 | C21 | H41 | 108.8° | 109.9° |
| C8 | C9 | C19 | 109.0° | 107.5° |
| C8 | C9 | C10 | 110.1° | 109.8° |
| C9 | C8 | H1 | 105.8° | 110.6° |
| C8 | C9 | H17 | 109.3° | 110.5° |
| C20 | C19 | C9 | 112.1° | 111.2° |
| C20 | C19 | C17 | 112.9° | 110.3° |
| C20 | C19 | H37 | 106.1° | 108.2° |
| C19 | C20 | H38 | 108.5° | 109.1° |
| C19 | C20 | H39 | 108.5° | 109.1° |
| C19 | C9 | C10 | 109.9° | 107.6° |
| C9 | C19 | C17 | 113.1° | 110.6° |
| C19 | C9 | H17 | 109.2° | 110.5° |
| C9 | C19 | H37 | 106.1° | 108.3° |
| C9 | C10 | C11 | 113.3° | 109.5° |
| C10 | C9 | H17 | 109.3° | 110.8° |
| C9 | C10 | H19 | 108.5° | 109.5° |
| C9 | C10 | H20 | 108.5° | 109.5° |
| C19 | C17 | C16 | 108.4° | 110.5° |
| C19 | C17 | C18 | 111.7° | 107.2° |
| C19 | C17 | C12 | 109.8° | 114.8° |
| C17 | C19 | H37 | 105.9° | 108.3° |
| C10 | C11 | C12 | 125.2° | 122.9° |
| C11 | C10 | H19 | 108.5° | 109.5° |
| C11 | C10 | H20 | 108.5° | 109.5° |
| C10 | C11 | H22 | 117.4° | 118.5° |
| C16 | C17 | C18 | 109.3° | 107.6° |
| C16 | C17 | C12 | 109.6° | 108.8° |
| C17 | C16 | C15 | 114.2° | 109.2° |
| C17 | C16 | H32 | 108.3° | 109.6° |
| C17 | C16 | H33 | 108.3° | 109.5° |
| C18 | C17 | C12 | 108.1° | 107.6° |
| C17 | C18 | H34 | 109.5° | 109.5° |
| C17 | C18 | H35 | 109.4° | 109.5° |
| C17 | C18 | H36 | 109.5° | 109.5° |
| C17 | C12 | C11 | 123.0° | 122.6° |
| C17 | C12 | C13 | 116.5° | 118.2° |
| C11 | C12 | C13 | 120.5° | 119.3° |
| C12 | C11 | H22 | 117.4° | 118.5° |
| C16 | C15 | C14 | 109.4° | 110.1° |
| C16 | C15 | H30 | 109.5° | 109.4° |
| C16 | C15 | H31 | 109.5° | 109.3° |
| C15 | C16 | H32 | 108.3° | 109.6° |
| C15 | C16 | H33 | 108.3° | 109.5° |
| C12 | C13 | C14 | 111.2° | 107.4° |
| C12 | C13 | H25 | 109.0° | 109.8° |
| C12 | C13 | H26 | 109.1° | 109.8° |
| C15 | C14 | C13 | 110.7° | 109.6° |
| C15 | C14 | O2 | 109.9° | 109.5° |
| C15 | C14 | H28 | 108.1° | 109.5° |
| C14 | C15 | H30 | 109.5° | 109.3° |
| C14 | C15 | H31 | 109.5° | 109.3° |
| C13 | C14 | O2 | 111.0° | 109.5° |
| C14 | C13 | H25 | 109.0° | 109.9° |
| C14 | C13 | H26 | 109.0° | 109.9° |
| C13 | C14 | H28 | 108.0° | 109.4° |
| C14 | O2 | C27 | 114.8° | 114.0° |
| O2 | C14 | H28 | 109.1° | 109.4° |
| O2 | C27 | C28 | 109.0° | 109.4° |
| O2 | C27 | H50 | 109.6° | 109.5° |
| O2 | C27 | H51 | 109.6° | 109.4° |
| C27 | C28 | C29 | 114.2° | 109.4° |
| C28 | C27 | H50 | 109.6° | 109.5° |
| C28 | C27 | H51 | 109.6° | 109.5° |
| C27 | C28 | H52 | 108.3° | 109.5° |
| C27 | C28 | H53 | 108.3° | 109.5° |
| C28 | C29 | C43 | 110.8° | 109.5° |
| C28 | C29 | C30 | 110.9° | 109.5° |
| C29 | C28 | H52 | 108.3° | 109.5° |
| C29 | C28 | H53 | 108.3° | 109.5° |
| C28 | C29 | H54 | 108.4° | 109.5° |
| C43 | C29 | C30 | 109.4° | 109.4° |
| C29 | C43 | O14 | 111.5° | 109.4° |
| C43 | C29 | H54 | 108.6° | 109.4° |
| C29 | C43 | H71 | 109.0° | 109.5° |
| C29 | C43 | H72 | 109.0° | 109.5° |
| C29 | C30 | O3 | 110.1° | 109.4° |
| C30 | C29 | H54 | 108.6° | 109.5° |
| C29 | C30 | H55 | 109.3° | 109.5° |
| C29 | C30 | H56 | 109.3° | 109.5° |
| C43 | O14 | H29 | 109.5° | 114.0° |
| O14 | C43 | H71 | 108.9° | 109.4° |
| O14 | C43 | H72 | 108.9° | 109.5° |
| C30 | O3 | C31 | 113.7° | 114.0° |
| O3 | C30 | H55 | 109.3° | 109.5° |
| O3 | C30 | H56 | 109.3° | 109.5° |
| O3 | C31 | C32 | 108.1° | 109.5° |
| O3 | C31 | O4 | 110.1° | 109.5° |
| O3 | C31 | H57 | 110.2° | 109.5° |
| O13 | C32 | C31 | 110.0° | 109.6° |
| O13 | C32 | C33 | 109.9° | 109.5° |
| C32 | O13 | H27 | 109.5° | 114.0° |
| O13 | C32 | H58 | 110.0° | 109.5° |
| C31 | C32 | C33 | 109.6° | 109.1° |
| C32 | C31 | O4 | 109.9° | 109.4° |
| C32 | C31 | H57 | 108.5° | 109.5° |
| C31 | C32 | H58 | 108.6° | 109.5° |
| C32 | C33 | O12 | 109.8° | 109.5° |
| C32 | C33 | C34 | 110.5° | 109.0° |
| C33 | C32 | H58 | 108.6° | 109.6° |
| C32 | C33 | H59 | 108.3° | 109.5° |
| C31 | O4 | C35 | 113.1° | 114.1° |
| O4 | C31 | H57 | 109.9° | 109.5° |
| O4 | C35 | C36 | 106.7° | 109.5° |
| O4 | C35 | C34 | 109.8° | 109.4° |
| O4 | C35 | H61 | 109.7° | 109.5° |
| O12 | C33 | C34 | 110.3° | 109.5° |
| C33 | O12 | H24 | 109.5° | 114.0° |
| O12 | C33 | H59 | 109.6° | 109.6° |
| C33 | C34 | C35 | 111.1° | 109.1° |
| C33 | C34 | O6 | 106.8° | 109.5° |
| C34 | C33 | H59 | 108.3° | 109.7° |
| C33 | C34 | H60 | 109.7° | 109.5° |
| O5 | C36 | C35 | 111.3° | 109.5° |
| C36 | O5 | H13 | 109.5° | 114.0° |
| O5 | C36 | H62 | 109.0° | 109.5° |
| O5 | C36 | H63 | 109.0° | 109.5° |
| C36 | C35 | C34 | 113.5° | 109.5° |
| C36 | C35 | H61 | 108.7° | 109.5° |
| C35 | C36 | H62 | 109.0° | 109.5° |
| C35 | C36 | H63 | 109.0° | 109.4° |
| C35 | C34 | O6 | 108.6° | 109.5° |
| C35 | C34 | H60 | 109.7° | 109.6° |
| C34 | C35 | H61 | 108.5° | 109.5° |
| C34 | O6 | C37 | 117.9° | 114.0° |
| O6 | C34 | H60 | 111.0° | 109.6° |
| O10 | C39 | C38 | 110.6° | 109.5° |
| O10 | C39 | C40 | 111.5° | 109.5° |
| C39 | O10 | H21 | 109.5° | 114.0° |
| O10 | C39 | H66 | 108.6° | 109.6° |
| O6 | C37 | C38 | 108.1° | 109.5° |
| O6 | C37 | O7 | 109.4° | 109.5° |
| O6 | C37 | H64 | 110.4° | 109.4° |
| C38 | C37 | O7 | 109.8° | 109.5° |
| C37 | C38 | C39 | 109.5° | 109.1° |
| C37 | C38 | O11 | 109.7° | 109.6° |
| C38 | C37 | H64 | 108.8° | 109.5° |
| C37 | C38 | H65 | 108.9° | 109.5° |
| C37 | O7 | C41 | 113.9° | 114.1° |
| O7 | C37 | H64 | 110.2° | 109.5° |
| O8 | C42 | C41 | 111.4° | 109.5° |
| C42 | O8 | H16 | 109.5° | 113.9° |
| O8 | C42 | H69 | 109.0° | 109.5° |
| O8 | C42 | H70 | 109.0° | 109.4° |
| C42 | C41 | O7 | 107.2° | 109.5° |
| C42 | C41 | C40 | 114.0° | 109.5° |
| C42 | C41 | H68 | 108.1° | 109.5° |
| C41 | C42 | H69 | 109.0° | 109.5° |
| C41 | C42 | H70 | 108.9° | 109.4° |
| C39 | C38 | O11 | 109.8° | 109.5° |
| C38 | C39 | C40 | 111.2° | 109.0° |
| C39 | C38 | H65 | 108.8° | 109.5° |
| C38 | C39 | H66 | 107.4° | 109.5° |
| C38 | O11 | H23 | 109.5° | 114.0° |
| O11 | C38 | H65 | 110.2° | 109.6° |
| C39 | C40 | C41 | 111.7° | 109.2° |
| C39 | C40 | O9 | 109.7° | 109.6° |
| C40 | C39 | H66 | 107.4° | 109.6° |
| C39 | C40 | H67 | 108.4° | 109.5° |
| O7 | C41 | C40 | 110.6° | 109.4° |
| O7 | C41 | H68 | 109.0° | 109.4° |
| C41 | C40 | O9 | 109.0° | 109.5° |
| C41 | C40 | H67 | 108.3° | 109.6° |
| C40 | C41 | H68 | 107.8° | 109.5° |
| C40 | O9 | H18 | 109.5° | 114.0° |
| O9 | C40 | H67 | 109.7° | 109.4° |
| H2 | C5 | H3 | 109.5° | 109.4° |
| H5 | C2 | H6 | 109.5° | 109.6° |
| H7 | C | H8 | 109.4° | 109.5° |
| H7 | C | H9 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.6° |
| H14 | C7 | H15 | 109.5° | 110.9° |
| H19 | C10 | H20 | 109.5° | 109.4° |
| H25 | C13 | H26 | 109.5° | 110.0° |
| H30 | C15 | H31 | 109.4° | 109.4° |
| H32 | C16 | H33 | 109.5° | 109.5° |
| H34 | C18 | H35 | 109.5° | 109.5° |
| H34 | C18 | H36 | 109.5° | 109.4° |
| H35 | C18 | H36 | 109.4° | 109.4° |
| H38 | C20 | H39 | 109.5° | 109.1° |
| H40 | C21 | H41 | 109.4° | 109.9° |
| H42 | C23 | H43 | 109.5° | 109.5° |
| H42 | C23 | H44 | 109.5° | 109.4° |
| H43 | C23 | H44 | 109.5° | 109.5° |
| H47 | C26 | H48 | 109.5° | 109.5° |
| H47 | C26 | H49 | 109.5° | 109.5° |
| H48 | C26 | H49 | 109.5° | 109.5° |
| H50 | C27 | H51 | 109.5° | 109.5° |
| H52 | C28 | H53 | 109.5° | 109.5° |
| H55 | C30 | H56 | 109.5° | 109.5° |
| H62 | C36 | H63 | 109.5° | 109.5° |
| H69 | C42 | H70 | 109.5° | 109.5° |
| H71 | C43 | H72 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C5 | C2 | 123.7° | 120.0° |
| C | C1 | C5 | H10 | 118.7° | 120.1° |
| C | C1 | C2 | H10 | 119.2° | 120.1° |
| C | C1 | C5 | O | 179.3° | 179.0° |
| C | C1 | C2 | C3 | 174.5° | 178.7° |
| C | C1 | C5 | H2 | 60.3° | 59.1° |
| C | C1 | C5 | H3 | 58.9° | 61.0° |
| C | C1 | C2 | H5 | 54.2° | 59.0° |
| C | C1 | C2 | H6 | 65.2° | 61.5° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| C1 | C | H7 | H9 | 120.0° | 119.9° |
| C1 | C | H8 | H9 | 120.0° | 119.9° |
| C5 | C1 | C2 | H10 | 117.7° | 119.9° |
| C1 | C5 | O | H2 | 120.4° | 119.9° |
| C1 | C5 | O | H3 | 120.4° | 120.1° |
| C5 | C1 | C2 | C3 | 51.4° | 58.7° |
| C1 | C5 | O | C4 | 60.5° | 59.4° |
| C1 | C5 | H2 | H3 | 118.8° | 120.1° |
| C5 | C1 | C2 | H5 | 68.9° | 61.0° |
| C5 | C1 | C2 | H6 | 171.7° | 178.5° |
| C5 | C1 | C | H7 | 180.0° | 59.9° |
| C5 | C1 | C | H8 | 60.0° | 180.0° |
| C5 | C1 | C | H9 | 60.0° | 60.0° |
| C2 | C1 | C5 | O | 55.6° | 59.0° |
| C1 | C2 | C3 | H5 | 120.4° | 119.7° |
| C1 | C2 | C3 | H6 | 120.3° | 119.9° |
| C1 | C2 | C3 | C4 | 50.8° | 56.3° |
| C2 | C1 | C5 | H2 | 175.9° | 60.9° |
| C2 | C1 | C5 | H3 | 64.8° | 179.1° |
| C1 | C2 | H5 | H6 | 119.0° | 120.5° |
| C2 | C1 | C | H7 | 58.1° | 179.7° |
| C2 | C1 | C | H8 | 61.9° | 60.3° |
| C2 | C1 | C | H9 | 178.1° | 59.7° |
| C1 | C2 | C3 | H11 | 171.2° | 176.2° |
| C1 | C2 | C3 | H12 | 69.5° | 63.5° |
| C5 | O | C4 | C3 | 57.5° | 58.4° |
| C5 | O | C4 | C25 | 175.5° | 178.3° |
| C5 | O | C4 | O1 | 62.2° | 64.9° |
| O | C5 | H2 | H3 | 118.9° | 120.0° |
| O | C5 | C1 | H10 | 62.0° | 60.9° |
| C2 | C3 | C4 | O | 52.2° | 55.6° |
| C2 | C3 | C4 | H11 | 120.4° | 119.9° |
| C2 | C3 | C4 | H12 | 120.3° | 119.8° |
| C2 | C3 | C4 | C25 | 174.5° | 178.9° |
| C2 | C3 | C4 | O1 | 68.5° | 67.5° |
| C3 | C2 | H5 | H6 | 119.0° | 120.3° |
| C3 | C2 | C1 | H10 | 66.2° | 61.2° |
| C2 | C3 | H11 | H12 | 119.0° | 120.2° |
| O | C4 | C3 | C25 | 122.3° | 123.4° |
| O | C4 | C3 | O1 | 120.7° | 123.0° |
| O | C4 | C25 | C26 | 34.9° | 44.2° |
| O | C4 | C25 | O1 | 116.9° | 117.8° |
| O | C4 | C25 | C24 | 90.5° | 73.7° |
| O | C4 | O1 | C6 | 74.3° | 75.0° |
| C4 | O | C5 | H2 | 179.1° | 60.5° |
| C4 | O | C5 | H3 | 59.8° | 179.5° |
| O | C4 | C3 | H11 | 172.6° | 175.4° |
| O | C4 | C3 | H12 | 68.1° | 64.3° |
| O | C4 | C25 | H46 | 155.4° | 168.5° |
| C3 | C4 | C25 | C26 | 89.1° | 79.9° |
| C3 | C4 | C25 | O1 | 119.1° | 118.2° |
| C3 | C4 | C25 | C24 | 145.5° | 162.3° |
| C3 | C4 | O1 | C6 | 164.7° | 161.1° |
| C4 | C3 | C2 | H5 | 69.5° | 63.4° |
| C4 | C3 | C2 | H6 | 171.2° | 176.2° |
| C4 | C3 | H11 | H12 | 119.0° | 120.3° |
| C3 | C4 | C25 | H46 | 31.4° | 44.5° |
| C26 | C25 | C4 | C24 | 125.4° | 117.8° |
| C26 | C25 | C4 | H46 | 120.5° | 124.4° |
| C26 | C25 | C4 | O1 | 151.8° | 161.9° |
| C26 | C25 | C24 | H46 | 120.1° | 124.4° |
| C26 | C25 | C24 | C6 | 129.7° | 146.1° |
| C26 | C25 | C24 | C22 | 113.8° | 102.9° |
| C26 | C25 | C24 | H45 | 13.2° | 23.5° |
| C25 | C26 | H47 | H48 | 120.0° | 120.0° |
| C25 | C26 | H47 | H49 | 120.0° | 120.0° |
| C25 | C26 | H48 | H49 | 120.0° | 120.0° |
| C4 | C25 | C24 | H46 | 114.2° | 117.8° |
| C25 | C4 | O1 | C6 | 40.8° | 43.1° |
| C4 | C25 | C24 | C6 | 4.0° | 28.3° |
| C4 | C25 | C24 | C22 | 120.4° | 139.3° |
| C25 | C4 | C3 | H11 | 65.2° | 61.2° |
| C25 | C4 | C3 | H12 | 54.1° | 59.1° |
| C4 | C25 | C24 | H45 | 112.6° | 94.3° |
| C4 | C25 | C26 | H47 | 180.0° | 58.6° |
| C4 | C25 | C26 | H48 | 60.0° | 178.6° |
| C4 | C25 | C26 | H49 | 60.0° | 61.4° |
| O1 | C4 | C25 | C24 | 26.4° | 44.1° |
| C4 | O1 | C6 | C24 | 38.0° | 24.3° |
| C4 | O1 | C6 | C7 | 154.5° | 139.0° |
| C4 | O1 | C6 | H4 | 81.1° | 97.9° |
| O1 | C4 | C3 | H11 | 51.9° | 52.4° |
| O1 | C4 | C3 | H12 | 171.2° | 172.7° |
| O1 | C4 | C25 | H46 | 87.7° | 73.7° |
| C25 | C24 | C6 | O1 | 19.5° | 3.6° |
| C25 | C24 | C6 | C22 | 127.2° | 114.3° |
| C25 | C24 | C6 | H45 | 116.5° | 122.6° |
| C25 | C24 | C22 | H45 | 127.1° | 126.6° |
| C25 | C24 | C6 | C7 | 139.0° | 113.0° |
| C25 | C24 | C22 | C23 | 33.5° | 20.3° |
| C25 | C24 | C22 | C21 | 94.2° | 105.3° |
| C25 | C24 | C22 | C8 | 151.8° | 137.4° |
| C25 | C24 | C6 | H4 | 100.6° | 125.9° |
| C24 | C25 | C26 | H47 | 60.4° | 52.5° |
| C24 | C25 | C26 | H48 | 179.6° | 67.5° |
| C24 | C25 | C26 | H49 | 59.6° | 172.5° |
| O1 | C6 | C24 | C7 | 119.5° | 116.6° |
| O1 | C6 | C24 | H4 | 120.2° | 122.3° |
| O1 | C6 | C24 | C22 | 107.7° | 117.9° |
| O1 | C6 | C7 | H4 | 125.1° | 123.1° |
| O1 | C6 | C7 | C8 | 131.6° | 145.2° |
| O1 | C6 | C7 | H14 | 109.5° | 27.1° |
| O1 | C6 | C7 | H15 | 12.7° | 96.7° |
| O1 | C6 | C24 | H45 | 136.0° | 119.0° |
| C6 | C24 | C22 | H45 | 116.4° | 123.2° |
| C24 | C6 | C7 | H4 | 120.3° | 121.1° |
| C6 | C24 | C22 | C23 | 83.0° | 89.9° |
| C6 | C24 | C22 | C21 | 149.3° | 144.5° |
| C6 | C24 | C22 | C8 | 35.3° | 27.3° |
| C24 | C6 | C7 | C8 | 17.0° | 29.3° |
| C24 | C6 | C7 | H14 | 135.8° | 88.8° |
| C24 | C6 | C7 | H15 | 101.9° | 147.5° |
| C6 | C24 | C25 | H46 | 110.2° | 89.5° |
| C22 | C24 | C6 | C7 | 11.8° | 1.3° |
| C24 | C22 | C23 | C21 | 130.3° | 129.1° |
| C24 | C22 | C23 | C8 | 111.0° | 112.8° |
| C24 | C22 | C21 | C8 | 110.0° | 114.8° |
| C24 | C22 | C8 | C7 | 47.0° | 45.8° |
| C24 | C22 | C21 | C20 | 165.9° | 179.4° |
| C24 | C22 | C8 | C9 | 179.8° | 167.6° |
| C24 | C22 | C8 | H1 | 64.1° | 71.5° |
| C22 | C24 | C6 | H4 | 132.2° | 119.8° |
| C24 | C22 | C21 | H40 | 73.8° | 59.9° |
| C24 | C22 | C21 | H41 | 45.4° | 61.2° |
| C24 | C22 | C23 | H42 | 180.0° | 171.1° |
| C24 | C22 | C23 | H43 | 60.0° | 51.2° |
| C24 | C22 | C23 | H44 | 60.0° | 68.9° |
| C22 | C24 | C25 | H46 | 6.3° | 21.5° |
| C6 | C7 | C8 | C22 | 40.0° | 46.1° |
| C6 | C7 | C8 | H14 | 118.9° | 118.1° |
| C6 | C7 | C8 | H15 | 118.9° | 118.2° |
| C6 | C7 | C8 | C9 | 169.6° | 161.8° |
| C6 | C7 | C8 | H1 | 71.0° | 71.2° |
| C6 | C7 | H14 | H15 | 123.2° | 123.8° |
| C7 | C6 | C24 | H45 | 104.5° | 124.4° |
| C23 | C22 | C21 | C8 | 121.7° | 119.6° |
| C23 | C22 | C8 | C7 | 71.5° | 71.3° |
| C23 | C22 | C21 | C20 | 65.8° | 55.0° |
| C23 | C22 | C8 | C9 | 61.4° | 50.4° |
| C23 | C22 | C8 | H1 | 177.4° | 171.4° |
| C23 | C22 | C21 | H40 | 54.5° | 174.5° |
| C23 | C22 | C21 | H41 | 173.7° | 64.4° |
| C22 | C23 | H42 | H43 | 120.0° | 120.0° |
| C22 | C23 | H42 | H44 | 120.0° | 120.0° |
| C22 | C23 | H43 | H44 | 120.0° | 120.1° |
| C23 | C22 | C24 | H45 | 160.5° | 146.9° |
| C21 | C22 | C8 | C7 | 167.6° | 169.1° |
| C22 | C21 | C20 | H40 | 120.4° | 119.5° |
| C22 | C21 | C20 | H41 | 120.4° | 119.5° |
| C21 | C22 | C8 | C9 | 59.6° | 69.1° |
| C22 | C21 | C20 | C19 | 54.6° | 58.0° |
| C21 | C22 | C8 | H1 | 56.5° | 51.8° |
| C22 | C21 | C20 | H38 | 66.0° | 178.4° |
| C22 | C21 | C20 | H39 | 175.1° | 62.5° |
| C22 | C21 | H40 | H41 | 118.8° | 121.1° |
| C21 | C22 | C23 | H42 | 49.7° | 59.7° |
| C21 | C22 | C23 | H43 | 169.7° | 179.7° |
| C21 | C22 | C23 | H44 | 70.3° | 60.3° |
| C21 | C22 | C24 | H45 | 32.9° | 21.3° |
| C22 | C8 | C7 | C9 | 129.6° | 115.7° |
| C22 | C8 | C7 | H1 | 111.0° | 117.3° |
| C8 | C22 | C21 | C20 | 55.9° | 64.5° |
| C22 | C8 | C9 | H1 | 116.0° | 121.0° |
| C22 | C8 | C9 | C19 | 57.8° | 64.2° |
| C22 | C8 | C9 | C10 | 178.4° | 178.9° |
| C22 | C8 | C7 | H14 | 158.8° | 72.0° |
| C22 | C8 | C7 | H15 | 78.9° | 164.3° |
| C22 | C8 | C9 | H17 | 61.5° | 56.4° |
| C8 | C22 | C21 | H40 | 176.3° | 54.9° |
| C8 | C22 | C21 | H41 | 64.6° | 176.0° |
| C8 | C22 | C23 | H42 | 69.0° | 58.3° |
| C8 | C22 | C23 | H43 | 51.0° | 61.7° |
| C8 | C22 | C23 | H44 | 171.0° | 178.3° |
| C8 | C22 | C24 | H45 | 81.1° | 95.9° |
| C7 | C8 | C9 | H1 | 119.5° | 127.0° |
| C7 | C8 | C9 | C19 | 177.7° | 176.2° |
| C7 | C8 | C9 | C10 | 57.1° | 66.9° |
| C8 | C7 | C6 | H4 | 103.3° | 91.8° |
| C8 | C7 | H14 | H15 | 123.2° | 123.8° |
| C7 | C8 | C9 | H17 | 63.0° | 55.6° |
| C21 | C20 | C19 | H38 | 120.6° | 120.4° |
| C21 | C20 | C19 | H39 | 120.6° | 120.5° |
| C21 | C20 | C19 | C9 | 51.4° | 55.5° |
| C21 | C20 | C19 | C17 | 179.5° | 178.6° |
| C21 | C20 | C19 | H37 | 63.9° | 63.2° |
| C21 | C20 | H38 | H39 | 118.2° | 119.2° |
| C20 | C21 | H40 | H41 | 118.8° | 121.1° |
| C8 | C9 | C19 | C20 | 51.1° | 57.6° |
| C8 | C9 | C19 | C10 | 120.8° | 118.3° |
| C8 | C9 | C19 | H17 | 119.3° | 120.6° |
| C8 | C9 | C10 | H17 | 120.0° | 122.3° |
| C8 | C9 | C19 | C17 | 179.9° | 179.6° |
| C8 | C9 | C10 | C11 | 161.1° | 174.8° |
| C9 | C8 | C7 | H14 | 71.6° | 43.7° |
| C9 | C8 | C7 | H15 | 50.7° | 80.0° |
| C8 | C9 | C10 | H19 | 40.5° | 54.8° |
| C8 | C9 | C10 | H20 | 78.4° | 65.1° |
| C8 | C9 | C19 | H37 | 64.3° | 61.2° |
| C20 | C19 | C9 | C17 | 129.0° | 122.8° |
| C20 | C19 | C9 | H37 | 115.4° | 118.7° |
| C20 | C19 | C9 | C10 | 171.8° | 175.9° |
| C20 | C19 | C17 | H37 | 115.6° | 118.2° |
| C20 | C19 | C17 | C16 | 65.9° | 79.5° |
| C20 | C19 | C17 | C18 | 54.6° | 37.5° |
| C20 | C19 | C17 | C12 | 174.5° | 157.1° |
| C20 | C19 | C9 | H17 | 68.2° | 63.1° |
| C19 | C20 | H38 | H39 | 118.2° | 119.1° |
| C19 | C20 | C21 | H40 | 175.0° | 61.5° |
| C19 | C20 | C21 | H41 | 65.8° | 177.5° |
| C19 | C9 | C10 | H17 | 119.9° | 120.9° |
| C9 | C19 | C17 | H37 | 115.8° | 118.5° |
| C19 | C9 | C10 | C11 | 41.0° | 58.1° |
| C9 | C19 | C17 | C16 | 165.5° | 157.2° |
| C9 | C19 | C17 | C18 | 74.0° | 85.8° |
| C9 | C19 | C17 | C12 | 45.9° | 33.7° |
| C19 | C9 | C8 | H1 | 58.3° | 56.8° |
| C19 | C9 | C10 | H19 | 79.6° | 62.0° |
| C19 | C9 | C10 | H20 | 161.5° | 178.1° |
| C9 | C19 | C20 | H38 | 69.1° | 175.9° |
| C9 | C19 | C20 | H39 | 172.0° | 65.0° |
| C10 | C9 | C19 | C17 | 59.2° | 61.3° |
| C9 | C10 | C11 | H19 | 120.5° | 120.0° |
| C9 | C10 | C11 | H20 | 120.5° | 120.1° |
| C9 | C10 | C11 | C12 | 13.4° | 29.1° |
| C10 | C9 | C8 | H1 | 62.4° | 60.1° |
| C9 | C10 | H19 | H20 | 118.2° | 120.0° |
| C9 | C10 | C11 | H22 | 166.6° | 151.0° |
| C10 | C9 | C19 | H37 | 56.5° | 57.1° |
| C19 | C17 | C16 | C18 | 121.9° | 116.8° |
| C19 | C17 | C16 | C12 | 119.7° | 126.9° |
| C19 | C17 | C18 | C12 | 120.8° | 124.0° |
| C19 | C17 | C12 | C11 | 16.9° | 2.8° |
| C19 | C17 | C16 | C15 | 168.2° | 178.8° |
| C19 | C17 | C12 | C13 | 164.1° | 177.1° |
| C17 | C19 | C9 | H17 | 60.7° | 59.8° |
| C19 | C17 | C16 | H32 | 71.1° | 61.2° |
| C19 | C17 | C16 | H33 | 47.5° | 58.9° |
| C19 | C17 | C18 | H34 | 180.0° | 178.8° |
| C19 | C17 | C18 | H35 | 60.0° | 61.1° |
| C19 | C17 | C18 | H36 | 60.0° | 58.8° |
| C17 | C19 | C20 | H38 | 59.9° | 61.1° |
| C17 | C19 | C20 | H39 | 58.9° | 58.0° |
| C10 | C11 | C12 | C17 | 0.9° | 0.6° |
| C10 | C11 | C12 | H22 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 179.8° | 179.4° |
| C11 | C10 | C9 | H17 | 78.9° | 62.9° |
| C11 | C10 | H19 | H20 | 118.3° | 120.0° |
| C16 | C17 | C18 | C12 | 119.2° | 117.1° |
| C16 | C17 | C12 | C11 | 135.8° | 127.2° |
| C17 | C16 | C15 | H32 | 120.7° | 120.0° |
| C17 | C16 | C15 | H33 | 120.7° | 119.9° |
| C16 | C17 | C12 | C13 | 45.2° | 52.8° |
| C17 | C16 | C15 | C14 | 57.2° | 62.5° |
| C17 | C16 | C15 | H30 | 62.8° | 177.4° |
| C17 | C16 | C15 | H31 | 177.2° | 57.6° |
| C17 | C16 | H32 | H33 | 117.8° | 120.2° |
| C16 | C17 | C18 | H34 | 60.1° | 59.9° |
| C16 | C17 | C18 | H35 | 179.9° | 180.0° |
| C16 | C17 | C18 | H36 | 60.0° | 60.0° |
| C16 | C17 | C19 | H37 | 49.8° | 38.7° |
| C18 | C17 | C12 | C11 | 105.1° | 116.5° |
| C18 | C17 | C16 | C15 | 69.8° | 62.1° |
| C18 | C17 | C12 | C13 | 73.9° | 63.6° |
| C18 | C17 | C16 | H32 | 50.9° | 178.0° |
| C18 | C17 | C16 | H33 | 169.5° | 57.8° |
| C17 | C18 | H34 | H35 | 120.0° | 120.1° |
| C17 | C18 | H34 | H36 | 120.0° | 120.0° |
| C17 | C18 | H35 | H36 | 120.0° | 120.0° |
| C18 | C17 | C19 | H37 | 170.3° | 155.7° |
| C17 | C12 | C11 | C13 | 178.9° | 180.0° |
| C12 | C17 | C16 | C15 | 48.5° | 54.3° |
| C17 | C12 | C13 | C14 | 50.3° | 53.1° |
| C17 | C12 | C11 | H22 | 179.1° | 179.5° |
| C17 | C12 | C13 | H25 | 170.5° | 172.5° |
| C17 | C12 | C13 | H26 | 70.0° | 66.4° |
| C12 | C17 | C16 | H32 | 169.2° | 65.7° |
| C12 | C17 | C16 | H33 | 72.2° | 174.2° |
| C12 | C17 | C18 | H34 | 59.2° | 57.2° |
| C12 | C17 | C18 | H35 | 60.9° | 62.9° |
| C12 | C17 | C18 | H36 | 179.2° | 177.1° |
| C12 | C17 | C19 | H37 | 69.8° | 84.8° |
| C11 | C12 | C13 | C14 | 130.7° | 126.9° |
| C12 | C11 | C10 | H19 | 107.2° | 90.9° |
| C12 | C11 | C10 | H20 | 133.9° | 149.2° |
| C11 | C12 | C13 | H25 | 10.5° | 7.4° |
| C11 | C12 | C13 | H26 | 109.0° | 113.7° |
| C16 | C15 | C14 | H30 | 120.0° | 120.1° |
| C16 | C15 | C14 | H31 | 120.0° | 120.1° |
| C16 | C15 | C14 | C13 | 59.9° | 63.8° |
| C16 | C15 | C14 | O2 | 177.1° | 176.1° |
| C16 | C15 | C14 | H28 | 58.2° | 56.2° |
| C16 | C15 | H30 | H31 | 120.0° | 119.7° |
| C15 | C16 | H32 | H33 | 117.9° | 120.1° |
| C12 | C13 | C14 | C15 | 56.5° | 55.7° |
| C12 | C13 | C14 | H25 | 120.2° | 119.4° |
| C12 | C13 | C14 | H26 | 120.3° | 119.4° |
| C12 | C13 | C14 | O2 | 178.8° | 175.7° |
| C13 | C12 | C11 | H22 | 0.1° | 0.5° |
| C12 | C13 | H25 | H26 | 119.2° | 120.9° |
| C12 | C13 | C14 | H28 | 61.6° | 64.4° |
| C15 | C14 | C13 | O2 | 122.3° | 120.1° |
| C15 | C14 | C13 | H28 | 118.2° | 120.1° |
| C15 | C14 | O2 | H28 | 118.3° | 119.9° |
| C15 | C14 | O2 | C27 | 73.3° | 149.9° |
| C15 | C14 | C13 | H25 | 176.8° | 175.1° |
| C15 | C14 | C13 | H26 | 63.8° | 63.7° |
| C14 | C15 | H30 | H31 | 120.0° | 119.7° |
| C14 | C15 | C16 | H32 | 177.9° | 57.5° |
| C14 | C15 | C16 | H33 | 63.5° | 177.6° |
| C13 | C14 | O2 | H28 | 118.9° | 119.9° |
| C13 | C14 | O2 | C27 | 163.9° | 90.0° |
| C14 | C13 | H25 | H26 | 119.2° | 121.1° |
| C13 | C14 | C15 | H30 | 60.1° | 176.1° |
| C13 | C14 | C15 | H31 | 180.0° | 56.3° |
| C14 | O2 | C27 | C28 | 163.6° | 180.0° |
| O2 | C14 | C13 | H25 | 60.9° | 64.9° |
| O2 | C14 | C13 | H26 | 58.6° | 56.3° |
| O2 | C14 | C15 | H30 | 62.9° | 56.0° |
| O2 | C14 | C15 | H31 | 57.1° | 63.7° |
| C14 | O2 | C27 | H50 | 43.7° | 60.0° |
| C14 | O2 | C27 | H51 | 76.5° | 60.0° |
| O2 | C27 | C28 | H50 | 119.9° | 120.0° |
| O2 | C27 | C28 | H51 | 119.9° | 120.0° |
| O2 | C27 | C28 | C29 | 68.1° | 175.7° |
| C27 | O2 | C14 | H28 | 45.0° | 29.9° |
| O2 | C27 | H50 | H51 | 120.2° | 120.0° |
| O2 | C27 | C28 | H52 | 52.7° | 64.3° |
| O2 | C27 | C28 | H53 | 171.2° | 55.7° |
| C27 | C28 | C29 | H52 | 120.7° | 120.0° |
| C27 | C28 | C29 | H53 | 120.7° | 120.0° |
| C27 | C28 | C29 | C43 | 78.9° | 174.3° |
| C27 | C28 | C29 | C30 | 159.3° | 65.7° |
| C28 | C27 | H50 | H51 | 120.2° | 120.0° |
| C27 | C28 | H52 | H53 | 117.8° | 120.0° |
| C27 | C28 | C29 | H54 | 40.1° | 54.4° |
| C28 | C29 | C43 | C30 | 122.6° | 120.0° |
| C28 | C29 | C43 | H54 | 119.0° | 120.0° |
| C28 | C29 | C30 | H54 | 119.1° | 120.1° |
| C28 | C29 | C43 | O14 | 61.1° | 64.7° |
| C28 | C29 | C30 | O3 | 63.1° | 175.0° |
| C29 | C28 | C27 | H50 | 172.0° | 55.7° |
| C29 | C28 | C27 | H51 | 51.8° | 64.3° |
| C29 | C28 | H52 | H53 | 117.9° | 120.0° |
| C28 | C29 | C30 | H55 | 57.0° | 65.0° |
| C28 | C29 | C30 | H56 | 176.8° | 55.1° |
| C28 | C29 | C43 | H71 | 59.2° | 55.2° |
| C28 | C29 | C43 | H72 | 178.6° | 175.3° |
| C43 | C29 | C30 | H54 | 118.4° | 120.0° |
| C29 | C43 | O14 | H71 | 120.3° | 119.9° |
| C29 | C43 | O14 | H72 | 120.3° | 120.0° |
| C43 | C29 | C30 | O3 | 174.4° | 65.0° |
| C29 | C43 | O14 | H29 | 180.0° | 180.0° |
| C43 | C29 | C28 | H52 | 160.4° | 65.7° |
| C43 | C29 | C28 | H53 | 41.7° | 54.4° |
| C43 | C29 | C30 | H55 | 65.5° | 55.0° |
| C43 | C29 | C30 | H56 | 54.3° | 175.0° |
| C29 | C43 | H71 | H72 | 119.1° | 120.0° |
| C30 | C29 | C43 | O14 | 61.6° | 175.3° |
| C29 | C30 | O3 | H55 | 120.1° | 120.0° |
| C29 | C30 | O3 | H56 | 120.1° | 120.0° |
| C29 | C30 | O3 | C31 | 160.1° | 180.0° |
| C30 | C29 | C28 | H52 | 38.6° | 54.3° |
| C30 | C29 | C28 | H53 | 80.0° | 174.3° |
| C29 | C30 | H55 | H56 | 119.7° | 120.0° |
| C30 | C29 | C43 | H71 | 178.1° | 64.7° |
| C30 | C29 | C43 | H72 | 58.7° | 55.3° |
| O14 | C43 | C29 | H54 | 180.0° | 55.3° |
| O14 | C43 | H71 | H72 | 119.0° | 120.1° |
| C30 | O3 | C31 | C32 | 107.0° | 175.0° |
| C30 | O3 | C31 | O4 | 132.9° | 65.0° |
| O3 | C30 | C29 | H54 | 56.0° | 55.0° |
| O3 | C30 | H55 | H56 | 119.7° | 120.0° |
| C30 | O3 | C31 | H57 | 11.4° | 55.0° |
| O3 | C31 | C32 | O13 | 60.9° | 62.5° |
| O3 | C31 | C32 | O4 | 120.2° | 120.0° |
| O3 | C31 | C32 | H57 | 119.5° | 120.0° |
| O3 | C31 | C32 | C33 | 178.1° | 177.6° |
| O3 | C31 | O4 | H57 | 121.6° | 120.0° |
| O3 | C31 | O4 | C35 | 177.9° | 178.9° |
| C31 | O3 | C30 | H55 | 79.8° | 60.0° |
| C31 | O3 | C30 | H56 | 40.0° | 60.0° |
| O3 | C31 | C32 | H58 | 59.6° | 57.6° |
| O13 | C32 | C31 | C33 | 121.0° | 119.9° |
| O13 | C32 | C31 | H58 | 120.5° | 120.1° |
| O13 | C32 | C33 | H58 | 120.3° | 120.1° |
| O13 | C32 | C31 | O4 | 178.9° | 177.5° |
| O13 | C32 | C33 | O12 | 64.1° | 63.2° |
| O13 | C32 | C33 | C34 | 174.1° | 176.9° |
| O13 | C32 | C31 | H57 | 58.6° | 57.5° |
| O13 | C32 | C33 | H59 | 55.6° | 56.9° |
| C31 | C32 | C33 | H58 | 118.6° | 119.9° |
| C32 | C31 | O4 | H57 | 119.4° | 120.0° |
| C32 | C31 | O4 | C35 | 63.1° | 61.2° |
| C31 | C32 | C33 | O12 | 174.9° | 176.8° |
| C31 | C32 | C33 | C34 | 53.0° | 57.0° |
| C31 | C32 | O13 | H27 | 180.0° | 59.9° |
| C31 | C32 | C33 | H59 | 65.5° | 63.0° |
| C33 | C32 | C31 | O4 | 57.9° | 57.6° |
| C32 | C33 | O12 | C34 | 122.0° | 119.5° |
| C32 | C33 | O12 | H59 | 118.8° | 120.2° |
| C32 | C33 | C34 | H59 | 118.5° | 119.9° |
| C32 | C33 | C34 | C35 | 51.7° | 57.0° |
| C32 | C33 | C34 | O6 | 170.0° | 176.9° |
| C32 | C33 | O12 | H24 | 180.0° | 60.0° |
| C33 | C32 | O13 | H27 | 59.1° | 179.6° |
| C33 | C32 | C31 | H57 | 62.3° | 62.4° |
| C32 | C33 | C34 | H60 | 69.7° | 63.0° |
| C31 | O4 | C35 | C36 | 175.8° | 178.8° |
| C31 | O4 | C35 | C34 | 60.8° | 61.2° |
| O4 | C31 | C32 | H58 | 60.7° | 62.3° |
| C31 | O4 | C35 | H61 | 58.3° | 58.8° |
| O4 | C35 | C34 | C33 | 54.1° | 57.6° |
| O4 | C35 | C36 | O5 | 58.7° | 63.9° |
| O4 | C35 | C36 | C34 | 121.1° | 119.9° |
| O4 | C35 | C36 | H61 | 118.2° | 120.0° |
| O4 | C35 | C34 | H61 | 119.8° | 120.0° |
| O4 | C35 | C34 | O6 | 171.2° | 177.5° |
| C35 | O4 | C31 | H57 | 56.3° | 58.8° |
| O4 | C35 | C34 | H60 | 67.3° | 62.3° |
| O4 | C35 | C36 | H62 | 61.5° | 56.2° |
| O4 | C35 | C36 | H63 | 179.0° | 176.2° |
| O12 | C33 | C34 | H59 | 119.9° | 120.3° |
| O12 | C33 | C34 | C35 | 173.3° | 176.8° |
| O12 | C33 | C34 | O6 | 68.4° | 63.3° |
| O12 | C33 | C32 | H58 | 56.3° | 56.9° |
| O12 | C33 | C34 | H60 | 51.9° | 56.9° |
| C33 | C34 | C35 | C36 | 173.4° | 177.6° |
| C33 | C34 | C35 | O6 | 117.2° | 119.9° |
| C33 | C34 | C35 | H60 | 121.4° | 119.9° |
| C33 | C34 | O6 | H60 | 119.5° | 120.1° |
| C33 | C34 | O6 | C37 | 124.4° | 84.1° |
| C34 | C33 | O12 | H24 | 58.0° | 179.5° |
| C34 | C33 | C32 | H58 | 65.6° | 62.9° |
| C33 | C34 | C35 | H61 | 65.8° | 62.4° |
| O5 | C36 | C35 | H62 | 120.3° | 120.1° |
| O5 | C36 | C35 | H63 | 120.3° | 120.0° |
| O5 | C36 | C35 | C34 | 179.8° | 176.2° |
| O5 | C36 | C35 | H61 | 59.5° | 56.2° |
| O5 | C36 | H62 | H63 | 119.2° | 120.0° |
| C36 | C35 | C34 | H61 | 120.9° | 120.0° |
| C36 | C35 | C34 | O6 | 69.5° | 62.5° |
| C35 | C36 | O5 | H13 | 180.0° | 180.0° |
| C36 | C35 | C34 | H60 | 52.0° | 57.7° |
| C35 | C36 | H62 | H63 | 119.1° | 119.9° |
| C35 | C34 | O6 | H60 | 120.7° | 120.2° |
| C35 | C34 | O6 | C37 | 115.8° | 156.3° |
| C35 | C34 | C33 | H59 | 66.7° | 62.9° |
| C34 | C35 | C36 | H62 | 59.5° | 63.8° |
| C34 | C35 | C36 | H63 | 59.9° | 56.2° |
| C34 | O6 | C37 | C38 | 105.2° | 170.0° |
| C34 | O6 | C37 | O7 | 135.2° | 70.0° |
| O6 | C34 | C33 | H59 | 51.5° | 57.0° |
| O6 | C34 | C35 | H61 | 51.4° | 57.5° |
| C34 | O6 | C37 | H64 | 13.7° | 50.0° |
| O10 | C39 | C38 | C37 | 71.7° | 176.8° |
| O10 | C39 | C38 | C40 | 124.5° | 119.9° |
| O10 | C39 | C38 | H66 | 118.3° | 120.2° |
| O10 | C39 | C38 | O11 | 167.8° | 63.2° |
| O10 | C39 | C40 | H66 | 118.8° | 120.2° |
| O10 | C39 | C40 | C41 | 74.6° | 176.8° |
| O10 | C39 | C40 | O9 | 164.4° | 63.2° |
| O10 | C39 | C38 | H65 | 47.1° | 56.9° |
| O10 | C39 | C40 | H67 | 44.6° | 56.8° |
| O6 | C37 | C38 | O7 | 119.3° | 120.0° |
| O6 | C37 | C38 | H64 | 119.9° | 119.9° |
| O6 | C37 | O7 | H64 | 121.6° | 119.9° |
| O6 | C37 | C38 | C39 | 177.9° | 62.4° |
| O6 | C37 | C38 | O11 | 57.3° | 57.5° |
| O6 | C37 | O7 | C41 | 178.6° | 58.9° |
| C37 | O6 | C34 | H60 | 4.9° | 36.1° |
| O6 | C37 | C38 | H65 | 63.3° | 177.7° |
| C38 | C37 | O7 | H64 | 119.9° | 120.0° |
| C37 | C38 | C39 | O11 | 120.5° | 119.9° |
| C37 | C38 | C39 | H65 | 118.8° | 119.9° |
| C37 | C38 | O11 | H65 | 119.8° | 120.2° |
| C37 | C38 | C39 | C40 | 52.8° | 56.9° |
| C38 | C37 | O7 | C41 | 63.0° | 61.1° |
| C37 | C38 | O11 | H23 | 180.0° | 60.0° |
| C37 | C38 | C39 | H66 | 170.0° | 63.0° |
| C37 | O7 | C41 | C42 | 66.3° | 178.9° |
| O7 | C37 | C38 | C39 | 58.6° | 57.6° |
| O7 | C37 | C38 | O11 | 62.0° | 177.5° |
| C37 | O7 | C41 | C40 | 58.5° | 61.1° |
| O7 | C37 | C38 | H65 | 177.4° | 62.3° |
| C37 | O7 | C41 | H68 | 176.9° | 58.9° |
| O8 | C42 | C41 | H69 | 120.3° | 120.1° |
| O8 | C42 | C41 | H70 | 120.3° | 119.9° |
| O8 | C42 | C41 | O7 | 179.8° | 65.0° |
| O8 | C42 | C41 | C40 | 57.5° | 175.0° |
| O8 | C42 | C41 | H68 | 62.4° | 55.0° |
| O8 | C42 | H69 | H70 | 119.1° | 120.0° |
| C42 | C41 | C40 | C39 | 70.5° | 177.6° |
| C42 | C41 | O7 | C40 | 124.8° | 120.1° |
| C42 | C41 | O7 | H68 | 116.8° | 120.0° |
| C42 | C41 | C40 | H68 | 120.0° | 120.1° |
| C42 | C41 | C40 | O9 | 168.1° | 62.5° |
| C41 | C42 | O8 | H16 | 180.0° | 180.0° |
| C42 | C41 | C40 | H67 | 48.8° | 57.6° |
| C41 | C42 | H69 | H70 | 119.1° | 119.9° |
| C39 | C38 | O11 | H65 | 119.8° | 120.1° |
| C38 | C39 | C40 | H66 | 117.2° | 119.9° |
| C38 | C39 | C40 | C41 | 49.4° | 57.0° |
| C38 | C39 | C40 | O9 | 71.6° | 176.9° |
| C38 | C39 | O10 | H21 | 180.0° | 60.0° |
| C39 | C38 | O11 | H23 | 59.6° | 179.7° |
| C39 | C38 | C37 | H64 | 62.2° | 177.7° |
| C38 | C39 | C40 | H67 | 168.7° | 63.0° |
| O11 | C38 | C39 | C40 | 67.7° | 176.9° |
| O11 | C38 | C37 | H64 | 177.2° | 62.4° |
| O11 | C38 | C39 | H66 | 49.4° | 56.9° |
| C39 | C40 | C41 | O7 | 50.4° | 57.6° |
| C39 | C40 | C41 | O9 | 121.4° | 120.0° |
| C39 | C40 | C41 | H67 | 119.3° | 120.0° |
| C39 | C40 | O9 | H67 | 119.0° | 120.1° |
| C39 | C40 | O9 | H18 | 180.0° | 60.0° |
| C40 | C39 | O10 | H21 | 55.7° | 179.5° |
| C40 | C39 | C38 | H65 | 171.7° | 62.9° |
| C39 | C40 | C41 | H68 | 169.5° | 62.4° |
| O7 | C41 | C40 | H68 | 119.1° | 119.9° |
| O7 | C41 | C40 | O9 | 71.0° | 177.5° |
| C41 | O7 | C37 | H64 | 56.9° | 178.8° |
| O7 | C41 | C40 | H67 | 169.7° | 62.4° |
| O7 | C41 | C42 | H69 | 59.5° | 55.1° |
| O7 | C41 | C42 | H70 | 59.9° | 175.1° |
| C41 | C40 | O9 | H67 | 118.4° | 120.1° |
| C41 | C40 | O9 | H18 | 57.4° | 179.7° |
| C41 | C40 | C39 | H66 | 166.6° | 63.0° |
| C40 | C41 | C42 | H69 | 177.8° | 64.9° |
| C40 | C41 | C42 | H70 | 62.8° | 55.1° |
| O9 | C40 | C39 | H66 | 45.6° | 57.0° |
| O9 | C40 | C41 | H68 | 48.1° | 57.6° |
| H1 | C8 | C7 | H14 | 47.9° | 170.7° |
| H1 | C8 | C7 | H15 | 170.1° | 46.9° |
| H1 | C8 | C9 | H17 | 177.6° | 177.4° |
| H2 | C5 | C1 | H10 | 58.4° | 179.1° |
| H3 | C5 | C1 | H10 | 177.6° | 59.1° |
| H4 | C6 | C7 | H14 | 15.6° | 150.1° |
| H4 | C6 | C7 | H15 | 137.8° | 26.4° |
| H4 | C6 | C24 | H45 | 15.9° | 3.3° |
| H5 | C2 | C1 | H10 | 173.4° | 179.1° |
| H5 | C2 | C3 | H11 | 50.8° | 56.5° |
| H5 | C2 | C3 | H12 | 170.1° | 176.8° |
| H6 | C2 | C1 | H10 | 54.1° | 58.6° |
| H6 | C2 | C3 | H11 | 68.5° | 63.9° |
| H6 | C2 | C3 | H12 | 50.8° | 56.4° |
| H7 | C | H8 | H9 | 120.0° | 120.0° |
| H7 | C | C1 | H10 | 61.2° | 60.2° |
| H8 | C | C1 | H10 | 178.8° | 59.9° |
| H9 | C | C1 | H10 | 58.8° | 179.9° |
| H13 | O5 | C36 | H62 | 59.7° | 59.9° |
| H13 | O5 | C36 | H63 | 59.7° | 60.1° |
| H16 | O8 | C42 | H69 | 59.7° | 60.0° |
| H16 | O8 | C42 | H70 | 59.8° | 60.0° |
| H17 | C9 | C10 | H19 | 160.6° | 177.1° |
| H17 | C9 | C10 | H20 | 41.7° | 57.2° |
| H17 | C9 | C19 | H37 | 176.4° | 178.2° |
| H18 | O9 | C40 | H67 | 61.1° | 60.1° |
| H19 | C10 | C11 | H22 | 72.8° | 89.0° |
| H20 | C10 | C11 | H22 | 46.1° | 30.9° |
| H21 | O10 | C39 | H66 | 62.4° | 60.2° |
| H23 | O11 | C38 | H65 | 60.2° | 60.2° |
| H24 | O12 | C33 | H59 | 61.2° | 60.2° |
| H25 | C13 | C14 | H28 | 58.6° | 55.0° |
| H26 | C13 | C14 | H28 | 178.1° | 176.2° |
| H27 | O13 | C32 | H58 | 60.4° | 60.2° |
| H28 | C14 | C15 | H30 | 178.2° | 63.9° |
| H28 | C14 | C15 | H31 | 61.8° | 176.4° |
| H29 | O14 | C43 | H71 | 59.7° | 60.1° |
| H29 | O14 | C43 | H72 | 59.7° | 60.0° |
| H30 | C15 | C16 | H32 | 57.9° | 62.6° |
| H30 | C15 | C16 | H33 | 176.5° | 57.5° |
| H31 | C15 | C16 | H32 | 62.1° | 177.6° |
| H31 | C15 | C16 | H33 | 56.5° | 62.3° |
| H34 | C18 | H35 | H36 | 120.0° | 119.9° |
| H37 | C19 | C20 | H38 | 175.5° | 57.1° |
| H37 | C19 | C20 | H39 | 56.6° | 176.2° |
| H38 | C20 | C21 | H40 | 54.4° | 58.9° |
| H38 | C20 | C21 | H41 | 173.6° | 62.2° |
| H39 | C20 | C21 | H40 | 64.5° | 178.0° |
| H39 | C20 | C21 | H41 | 54.8° | 57.0° |
| H42 | C23 | H43 | H44 | 120.0° | 120.0° |
| H45 | C24 | C25 | H46 | 133.3° | 148.0° |
| H46 | C25 | C26 | H47 | 59.5° | 177.0° |
| H46 | C25 | C26 | H48 | 60.5° | 57.0° |
| H46 | C25 | C26 | H49 | 179.6° | 63.0° |
| H47 | C26 | H48 | H49 | 120.0° | 120.1° |
| H50 | C27 | C28 | H52 | 67.3° | 175.7° |
| H50 | C27 | C28 | H53 | 51.3° | 64.3° |
| H51 | C27 | C28 | H52 | 172.6° | 55.6° |
| H51 | C27 | C28 | H53 | 68.9° | 175.7° |
| H52 | C28 | C29 | H54 | 80.6° | 174.4° |
| H53 | C28 | C29 | H54 | 160.8° | 65.6° |
| H54 | C29 | C30 | H55 | 176.1° | 174.9° |
| H54 | C29 | C30 | H56 | 64.1° | 65.0° |
| H54 | C29 | C43 | H71 | 59.7° | 175.2° |
| H54 | C29 | C43 | H72 | 59.7° | 64.7° |
| H57 | C31 | C32 | H58 | 179.1° | 177.6° |
| H58 | C32 | C33 | H59 | 175.9° | 177.1° |
| H59 | C33 | C34 | H60 | 171.9° | 177.1° |
| H60 | C34 | C35 | H61 | 172.8° | 177.7° |
| H61 | C35 | C36 | H62 | 179.7° | 176.2° |
| H61 | C35 | C36 | H63 | 60.8° | 63.8° |
| H64 | C37 | C38 | H65 | 56.6° | 57.8° |
| H65 | C38 | C39 | H66 | 71.2° | 177.1° |
| H66 | C39 | C40 | H67 | 74.2° | 177.1° |
| H67 | C40 | C41 | H68 | 71.2° | 177.7° |
| H68 | C41 | C42 | H69 | 57.9° | 175.1° |
| H68 | C41 | C42 | H70 | 177.3° | 65.0° |
