A1CG0
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 | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C5 | O | sing | 1.43Å | 1.43Å | |
| O | C4 | sing | 1.42Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C25 | sing | 1.54Å | 1.54Å | |
| C4 | O1 | sing | 1.44Å | 1.42Å | |
| C25 | C24 | sing | 1.54Å | 1.54Å | |
| O1 | C6 | sing | 1.44Å | 1.42Å | |
| C24 | C6 | sing | 1.56Å | 1.54Å | |
| C24 | C22 | sing | 1.53Å | 1.55Å | |
| C6 | C7 | sing | 1.55Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.52Å | 1.53Å | |
| C22 | C8 | sing | 1.55Å | 1.54Å | |
| C7 | C8 | sing | 1.52Å | 1.52Å | |
| C21 | C20 | sing | 1.52Å | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C9 | C19 | sing | 1.54Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C19 | C17 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C12 | sing | 1.53Å | 1.56Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| 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 | 1.42Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| O14 | C43 | sing | 1.43Å | 1.42Å | |
| C29 | C43 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C30 | O3 | sing | 1.43Å | 1.43Å | |
| O3 | C31 | sing | 1.43Å | 1.39Å | |
| O13 | C32 | sing | 1.43Å | 1.42Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | O4 | sing | 1.43Å | 1.42Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| O4 | C35 | sing | 1.43Å | 1.44Å | |
| C33 | O12 | sing | 1.43Å | 1.42Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C34 | O6 | sing | 1.43Å | 1.44Å | |
| O5 | C36 | sing | 1.43Å | 1.42Å | |
| O10 | C39 | sing | 1.43Å | 1.42Å | |
| O6 | C37 | sing | 1.43Å | 1.41Å | |
| O8 | C42 | sing | 1.43Å | 1.42Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C37 | O7 | sing | 1.43Å | 1.41Å | |
| 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 | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C3 | H46 | sing | 1.09Å | 1.10Å | |
| C3 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C31 | H50 | sing | 1.09Å | 1.10Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | H52 | sing | 1.09Å | 1.10Å | |
| C34 | H53 | sing | 1.09Å | 1.10Å | |
| C35 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| C37 | H57 | sing | 1.09Å | 1.10Å | |
| C38 | H58 | sing | 1.09Å | 1.10Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C40 | H60 | sing | 1.09Å | 1.10Å | |
| C41 | H61 | sing | 1.09Å | 1.10Å | |
| C42 | H62 | sing | 1.09Å | 1.10Å | |
| C42 | H63 | sing | 1.09Å | 1.10Å | |
| C43 | H64 | sing | 1.09Å | 1.10Å | |
| C43 | H65 | sing | 1.09Å | 1.10Å | |
| C9 | H66 | sing | 1.09Å | 1.10Å | |
| O10 | H67 | sing | 0.97Å | 0.95Å | |
| O11 | H68 | sing | 0.97Å | 0.95Å | |
| O12 | H69 | sing | 0.97Å | 0.95Å | |
| O13 | H70 | sing | 0.97Å | 0.95Å | |
| O14 | H71 | sing | 0.97Å | 0.95Å | |
| O5 | H72 | sing | 0.97Å | 0.95Å | |
| O8 | H73 | sing | 0.97Å | 0.95Å | |
| O9 | H74 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C5 | 110.7° | 109.5° |
| C | C1 | C2 | 112.1° | 109.5° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| C | C1 | H12 | 108.3° | 109.5° |
| C5 | C1 | C2 | 108.6° | 109.3° |
| C1 | C5 | O | 112.0° | 109.3° |
| C1 | C5 | H2 | 108.8° | 109.5° |
| C1 | C5 | H3 | 108.9° | 109.5° |
| C5 | C1 | H12 | 108.7° | 109.5° |
| C1 | C2 | C3 | 111.4° | 109.0° |
| C1 | C2 | H5 | 109.0° | 109.5° |
| C1 | C2 | H6 | 109.0° | 109.6° |
| C2 | C1 | H12 | 108.4° | 109.6° |
| C5 | O | C4 | 114.3° | 114.2° |
| O | C5 | H2 | 108.8° | 109.5° |
| O | C5 | H3 | 108.8° | 109.5° |
| O | C4 | C3 | 110.8° | 110.8° |
| O | C4 | C25 | 107.3° | 110.0° |
| O | C4 | O1 | 110.0° | 109.7° |
| C2 | C3 | C4 | 112.1° | 109.3° |
| C3 | C2 | H5 | 109.0° | 109.5° |
| C3 | C2 | H6 | 109.0° | 109.6° |
| C2 | C3 | H46 | 108.8° | 109.5° |
| C2 | C3 | H47 | 108.8° | 109.5° |
| C26 | C25 | C4 | 114.7° | 110.5° |
| C26 | C25 | C24 | 114.3° | 110.5° |
| C26 | C25 | H37 | 107.9° | 110.5° |
| C25 | C26 | H38 | 109.5° | 109.5° |
| C25 | C26 | H39 | 109.5° | 109.5° |
| C25 | C26 | H40 | 109.4° | 109.5° |
| C3 | C4 | C25 | 115.2° | 110.1° |
| C3 | C4 | O1 | 108.2° | 110.5° |
| C4 | C3 | H46 | 108.8° | 109.5° |
| C4 | C3 | H47 | 108.8° | 109.5° |
| C25 | C4 | O1 | 105.2° | 105.6° |
| C4 | C25 | C24 | 104.1° | 104.2° |
| C4 | C25 | H37 | 107.7° | 110.5° |
| C4 | O1 | C6 | 108.2° | 105.3° |
| C25 | C24 | C6 | 104.5° | 103.9° |
| C25 | C24 | C22 | 120.4° | 109.7° |
| C25 | C24 | H36 | 109.0° | 113.4° |
| C24 | C25 | H37 | 107.7° | 110.5° |
| O1 | C6 | C24 | 104.8° | 105.4° |
| O1 | C6 | C7 | 111.6° | 108.6° |
| O1 | C6 | H4 | 111.8° | 112.0° |
| C6 | C24 | C22 | 104.3° | 103.0° |
| C24 | C6 | C7 | 107.8° | 106.3° |
| C24 | C6 | H4 | 110.2° | 112.2° |
| C6 | C24 | H36 | 109.1° | 113.1° |
| C24 | C22 | C23 | 111.8° | 110.4° |
| C24 | C22 | C21 | 115.6° | 116.2° |
| C24 | C22 | C8 | 100.0° | 101.8° |
| C22 | C24 | H36 | 108.9° | 112.9° |
| C6 | C7 | C8 | 102.9° | 105.4° |
| C7 | C6 | H4 | 110.4° | 112.0° |
| C6 | C7 | H7 | 111.1° | 110.2° |
| C6 | C7 | H8 | 111.1° | 110.2° |
| C23 | C22 | C21 | 110.5° | 110.3° |
| C23 | C22 | C8 | 112.2° | 110.5° |
| C22 | C23 | H33 | 109.5° | 109.5° |
| C22 | C23 | H34 | 109.5° | 109.4° |
| C22 | C23 | H35 | 109.5° | 109.5° |
| C21 | C22 | C8 | 106.2° | 107.2° |
| C22 | C21 | C20 | 112.0° | 107.6° |
| C22 | C21 | H31 | 108.8° | 110.3° |
| C22 | C21 | H32 | 108.9° | 109.3° |
| C22 | C8 | C7 | 104.0° | 103.1° |
| C22 | C8 | C9 | 113.8° | 107.6° |
| C22 | C8 | H1 | 106.4° | 109.7° |
| C7 | C8 | C9 | 118.8° | 116.8° |
| C7 | C8 | H1 | 106.5° | 109.7° |
| C8 | C7 | H7 | 111.1° | 110.2° |
| C8 | C7 | H8 | 111.1° | 110.3° |
| C21 | C20 | C19 | 114.5° | 111.5° |
| C21 | C20 | H29 | 108.2° | 108.7° |
| C21 | C20 | H30 | 108.2° | 109.3° |
| C20 | C21 | H31 | 108.9° | 109.9° |
| C20 | C21 | H32 | 108.8° | 109.9° |
| C8 | C9 | C19 | 109.2° | 107.2° |
| C8 | C9 | C10 | 111.3° | 110.5° |
| C9 | C8 | H1 | 106.5° | 109.6° |
| C8 | C9 | H66 | 108.6° | 109.7° |
| C20 | C19 | C9 | 112.5° | 110.8° |
| C20 | C19 | C17 | 113.8° | 110.2° |
| C20 | C19 | H28 | 106.1° | 108.8° |
| C19 | C20 | H29 | 108.2° | 109.1° |
| C19 | C20 | H30 | 108.2° | 109.1° |
| C19 | C9 | C10 | 110.6° | 109.1° |
| C9 | C19 | C17 | 111.8° | 109.5° |
| C9 | C19 | H28 | 106.1° | 108.7° |
| C19 | C9 | H66 | 108.5° | 109.7° |
| C9 | C10 | C11 | 111.9° | 109.5° |
| C9 | C10 | H13 | 108.8° | 109.4° |
| C9 | C10 | H14 | 108.9° | 109.4° |
| C10 | C9 | H66 | 108.5° | 110.5° |
| C19 | C17 | C18 | 110.7° | 109.6° |
| C19 | C17 | C16 | 110.4° | 109.5° |
| C19 | C17 | C12 | 106.1° | 109.4° |
| C17 | C19 | H28 | 106.0° | 108.9° |
| C10 | C11 | C12 | 111.2° | 109.5° |
| C11 | C10 | H13 | 108.9° | 109.5° |
| C11 | C10 | H14 | 108.9° | 109.5° |
| C10 | C11 | H15 | 109.0° | 109.4° |
| C10 | C11 | H16 | 109.1° | 109.5° |
| C18 | C17 | C16 | 108.7° | 109.5° |
| C18 | C17 | C12 | 112.5° | 109.5° |
| C17 | C18 | H25 | 109.5° | 109.5° |
| C17 | C18 | H26 | 109.5° | 109.5° |
| C17 | C18 | H27 | 109.5° | 109.5° |
| C16 | C17 | C12 | 108.3° | 109.4° |
| C17 | C16 | C15 | 113.1° | 109.5° |
| C17 | C16 | H23 | 108.6° | 109.4° |
| C17 | C16 | H24 | 108.6° | 109.4° |
| C17 | C12 | C11 | 111.3° | 109.5° |
| C17 | C12 | C13 | 110.6° | 109.5° |
| C17 | C12 | H17 | 107.4° | 109.4° |
| C11 | C12 | C13 | 111.9° | 109.6° |
| C12 | C11 | H15 | 109.0° | 109.5° |
| C12 | C11 | H16 | 109.0° | 109.5° |
| C11 | C12 | H17 | 107.8° | 109.5° |
| C16 | C15 | C14 | 110.4° | 109.5° |
| C16 | C15 | H21 | 109.2° | 109.4° |
| C16 | C15 | H22 | 109.3° | 109.5° |
| C15 | C16 | H23 | 108.5° | 109.5° |
| C15 | C16 | H24 | 108.5° | 109.5° |
| C12 | C13 | C14 | 111.1° | 109.5° |
| C13 | C12 | H17 | 107.7° | 109.4° |
| C12 | C13 | H18 | 109.1° | 109.4° |
| C12 | C13 | H19 | 109.1° | 109.4° |
| C15 | C14 | C13 | 111.3° | 109.5° |
| C15 | C14 | O2 | 107.9° | 109.5° |
| C15 | C14 | H20 | 108.6° | 109.5° |
| C14 | C15 | H21 | 109.3° | 109.5° |
| C14 | C15 | H22 | 109.2° | 109.5° |
| C13 | C14 | O2 | 110.8° | 109.5° |
| C14 | C13 | H18 | 109.1° | 109.5° |
| C14 | C13 | H19 | 109.1° | 109.4° |
| C13 | C14 | H20 | 108.5° | 109.4° |
| C14 | O2 | C27 | 114.5° | 114.0° |
| O2 | C14 | H20 | 109.7° | 109.4° |
| O2 | C27 | C28 | 109.3° | 109.5° |
| O2 | C27 | H41 | 109.5° | 109.5° |
| O2 | C27 | H42 | 109.5° | 109.5° |
| C27 | C28 | C29 | 111.3° | 109.5° |
| C28 | C27 | H41 | 109.5° | 109.4° |
| C28 | C27 | H42 | 109.5° | 109.5° |
| C27 | C28 | H43 | 109.0° | 109.4° |
| C27 | C28 | H44 | 109.0° | 109.5° |
| C28 | C29 | C43 | 110.6° | 109.5° |
| C28 | C29 | C30 | 111.0° | 109.5° |
| C29 | C28 | H43 | 109.0° | 109.5° |
| C29 | C28 | H44 | 109.0° | 109.5° |
| C28 | C29 | H45 | 107.7° | 109.5° |
| O14 | C43 | C29 | 111.1° | 109.5° |
| O14 | C43 | H64 | 109.0° | 109.5° |
| O14 | C43 | H65 | 109.0° | 109.4° |
| C43 | O14 | H71 | 109.5° | 114.0° |
| C43 | C29 | C30 | 111.7° | 109.5° |
| C43 | C29 | H45 | 107.8° | 109.5° |
| C29 | C43 | H64 | 109.1° | 109.5° |
| C29 | C43 | H65 | 109.1° | 109.5° |
| C29 | C30 | O3 | 110.5° | 109.5° |
| C30 | C29 | H45 | 107.9° | 109.4° |
| C29 | C30 | H48 | 109.2° | 109.5° |
| C29 | C30 | H49 | 109.2° | 109.4° |
| C30 | O3 | C31 | 113.4° | 114.0° |
| O3 | C30 | H48 | 109.2° | 109.5° |
| O3 | C30 | H49 | 109.2° | 109.5° |
| O3 | C31 | C32 | 108.1° | 109.5° |
| O3 | C31 | O4 | 110.2° | 109.5° |
| O3 | C31 | H50 | 110.1° | 109.5° |
| O13 | C32 | C31 | 110.1° | 109.6° |
| O13 | C32 | C33 | 110.0° | 109.5° |
| O13 | C32 | H51 | 110.1° | 109.6° |
| C32 | O13 | H70 | 109.5° | 114.0° |
| C32 | C31 | O4 | 110.3° | 109.4° |
| C31 | C32 | C33 | 109.1° | 109.2° |
| C32 | C31 | H50 | 108.4° | 109.5° |
| C31 | C32 | H51 | 108.7° | 109.5° |
| C31 | O4 | C35 | 113.3° | 114.1° |
| O4 | C31 | H50 | 109.8° | 109.4° |
| C32 | C33 | O12 | 110.6° | 109.6° |
| C32 | C33 | C34 | 109.4° | 109.0° |
| C33 | C32 | H51 | 108.8° | 109.5° |
| C32 | C33 | H52 | 108.1° | 109.5° |
| O4 | C35 | C34 | 109.4° | 109.4° |
| O4 | C35 | C36 | 106.5° | 109.5° |
| O4 | C35 | H54 | 109.6° | 109.5° |
| O12 | C33 | C34 | 111.3° | 109.5° |
| O12 | C33 | H52 | 109.4° | 109.5° |
| C33 | O12 | H69 | 109.5° | 114.0° |
| C33 | C34 | C35 | 109.8° | 109.2° |
| C33 | C34 | O6 | 107.2° | 109.5° |
| C34 | C33 | H52 | 108.1° | 109.6° |
| C33 | C34 | H53 | 109.3° | 109.5° |
| C34 | C35 | C36 | 114.4° | 109.5° |
| C35 | C34 | O6 | 110.6° | 109.5° |
| C35 | C34 | H53 | 109.3° | 109.6° |
| C34 | C35 | H54 | 108.4° | 109.5° |
| C35 | C36 | O5 | 111.2° | 109.5° |
| C36 | C35 | H54 | 108.5° | 109.5° |
| C35 | C36 | H55 | 109.0° | 109.5° |
| C35 | C36 | H56 | 109.0° | 109.5° |
| C34 | O6 | C37 | 118.0° | 114.0° |
| O6 | C34 | H53 | 110.6° | 109.6° |
| O5 | C36 | H55 | 109.0° | 109.5° |
| O5 | C36 | H56 | 109.1° | 109.5° |
| C36 | O5 | H72 | 109.5° | 114.0° |
| O10 | C39 | C38 | 110.3° | 109.6° |
| O10 | C39 | C40 | 111.3° | 109.6° |
| O10 | C39 | H59 | 108.2° | 109.6° |
| C39 | O10 | H67 | 109.5° | 114.0° |
| O6 | C37 | C38 | 108.7° | 109.5° |
| O6 | C37 | O7 | 109.5° | 109.5° |
| O6 | C37 | H57 | 110.3° | 109.5° |
| O8 | C42 | C41 | 111.5° | 109.5° |
| O8 | C42 | H62 | 109.0° | 109.5° |
| O8 | C42 | H63 | 109.0° | 109.4° |
| C42 | O8 | H73 | 109.5° | 114.0° |
| C38 | C37 | O7 | 109.4° | 109.4° |
| C37 | C38 | C39 | 109.5° | 109.2° |
| C37 | C38 | O11 | 110.2° | 109.5° |
| C38 | C37 | H57 | 108.7° | 109.5° |
| C37 | C38 | H58 | 108.4° | 109.5° |
| C37 | O7 | C41 | 112.9° | 114.1° |
| O7 | C37 | H57 | 110.3° | 109.5° |
| C42 | C41 | O7 | 107.4° | 109.5° |
| C42 | C41 | C40 | 114.7° | 109.5° |
| C42 | C41 | H61 | 107.5° | 109.5° |
| C41 | C42 | H62 | 108.9° | 109.5° |
| C41 | C42 | H63 | 108.9° | 109.4° |
| C39 | C38 | O11 | 110.5° | 109.5° |
| C38 | C39 | C40 | 113.0° | 109.0° |
| C39 | C38 | H58 | 108.4° | 109.5° |
| C38 | C39 | H59 | 106.9° | 109.6° |
| O11 | C38 | H58 | 109.7° | 109.5° |
| C38 | O11 | H68 | 109.5° | 114.0° |
| C39 | C40 | C41 | 113.9° | 109.2° |
| C39 | C40 | O9 | 109.8° | 109.5° |
| C40 | C39 | H59 | 106.8° | 109.5° |
| C39 | C40 | H60 | 107.6° | 109.6° |
| O7 | C41 | C40 | 111.2° | 109.4° |
| O7 | C41 | H61 | 108.5° | 109.5° |
| C41 | C40 | O9 | 108.9° | 109.5° |
| C41 | C40 | H60 | 107.5° | 109.5° |
| C40 | C41 | H61 | 107.3° | 109.5° |
| O9 | C40 | H60 | 109.0° | 109.5° |
| C40 | O9 | H74 | 109.5° | 114.0° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.6° |
| H7 | C7 | H8 | 109.5° | 110.3° |
| H9 | C | H10 | 109.5° | 109.4° |
| H9 | C | H11 | 109.4° | 109.5° |
| H10 | C | H11 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.4° | 109.5° |
| H25 | C18 | H27 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.4° |
| H29 | C20 | H30 | 109.5° | 109.1° |
| H31 | C21 | H32 | 109.4° | 109.8° |
| H33 | C23 | H34 | 109.4° | 109.5° |
| H33 | C23 | H35 | 109.5° | 109.5° |
| H34 | C23 | H35 | 109.5° | 109.5° |
| H38 | C26 | H39 | 109.5° | 109.5° |
| H38 | C26 | H40 | 109.4° | 109.4° |
| H39 | C26 | H40 | 109.5° | 109.4° |
| H41 | C27 | H42 | 109.5° | 109.4° |
| H43 | C28 | H44 | 109.5° | 109.5° |
| H46 | C3 | H47 | 109.5° | 109.5° |
| H48 | C30 | H49 | 109.5° | 109.4° |
| H55 | C36 | H56 | 109.5° | 109.5° |
| H62 | C42 | H63 | 109.5° | 109.5° |
| H64 | C43 | H65 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C5 | C2 | 123.5° | 119.9° |
| C | C1 | C5 | H12 | 118.8° | 120.1° |
| C | C1 | C2 | H12 | 119.5° | 120.1° |
| C | C1 | C5 | O | 179.3° | 178.0° |
| C | C1 | C2 | C3 | 175.5° | 177.3° |
| C | C1 | C5 | H2 | 58.9° | 62.0° |
| C | C1 | C5 | H3 | 60.4° | 58.1° |
| C | C1 | C2 | H5 | 55.2° | 57.5° |
| C | C1 | C2 | H6 | 64.2° | 62.8° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H11 | 120.0° | 120.1° |
| C5 | C1 | C2 | H12 | 117.9° | 120.0° |
| C1 | C5 | O | H2 | 120.4° | 120.0° |
| C1 | C5 | O | H3 | 120.4° | 119.9° |
| C1 | C5 | O | C4 | 60.6° | 60.2° |
| C5 | C1 | C2 | C3 | 52.9° | 57.4° |
| C1 | C5 | H2 | H3 | 118.9° | 120.1° |
| C5 | C1 | C2 | H5 | 67.4° | 62.4° |
| C5 | C1 | C2 | H6 | 173.2° | 177.3° |
| C5 | C1 | C | H9 | 180.0° | 60.0° |
| C5 | C1 | C | H10 | 60.0° | 179.9° |
| C5 | C1 | C | H11 | 60.0° | 60.0° |
| C2 | C1 | C5 | O | 57.2° | 58.1° |
| C1 | C2 | C3 | H5 | 120.3° | 119.8° |
| C1 | C2 | C3 | H6 | 120.3° | 119.9° |
| C1 | C2 | C3 | C4 | 50.5° | 56.0° |
| C2 | C1 | C5 | H2 | 177.6° | 178.1° |
| C2 | C1 | C5 | H3 | 63.1° | 61.8° |
| C1 | C2 | H5 | H6 | 119.1° | 120.3° |
| C2 | C1 | C | H9 | 58.6° | 179.8° |
| C2 | C1 | C | H10 | 61.4° | 60.3° |
| C2 | C1 | C | H11 | 178.6° | 59.7° |
| C1 | C2 | C3 | H46 | 170.9° | 176.0° |
| C1 | C2 | C3 | H47 | 69.9° | 64.0° |
| C5 | O | C4 | C3 | 55.5° | 59.5° |
| C5 | O | C4 | C25 | 178.1° | 178.5° |
| C5 | O | C4 | O1 | 64.2° | 62.7° |
| O | C5 | H2 | H3 | 118.8° | 120.0° |
| O | C5 | C1 | H12 | 60.4° | 61.9° |
| O | C4 | C3 | C2 | 50.2° | 56.1° |
| O | C4 | C25 | C26 | 29.6° | 24.7° |
| O | C4 | C3 | C25 | 121.9° | 121.9° |
| O | C4 | C3 | O1 | 120.7° | 121.8° |
| O | C4 | C25 | O1 | 117.1° | 118.3° |
| O | C4 | C25 | C24 | 96.1° | 94.0° |
| O | C4 | O1 | C6 | 78.8° | 79.1° |
| C4 | O | C5 | H2 | 179.0° | 179.8° |
| C4 | O | C5 | H3 | 59.8° | 59.7° |
| O | C4 | C25 | H37 | 149.7° | 147.4° |
| O | C4 | C3 | H46 | 170.5° | 176.0° |
| O | C4 | C3 | H47 | 70.2° | 63.9° |
| C2 | C3 | C4 | H46 | 120.4° | 120.0° |
| C2 | C3 | C4 | H47 | 120.4° | 119.9° |
| C2 | C3 | C4 | C25 | 172.1° | 178.0° |
| C2 | C3 | C4 | O1 | 70.6° | 65.7° |
| C3 | C2 | H5 | H6 | 119.1° | 120.2° |
| C3 | C2 | C1 | H12 | 65.0° | 62.6° |
| C2 | C3 | H46 | H47 | 118.8° | 120.1° |
| C26 | C25 | C4 | C3 | 94.3° | 97.6° |
| C26 | C25 | C4 | C24 | 125.7° | 118.7° |
| C26 | C25 | C4 | H37 | 120.1° | 122.6° |
| C26 | C25 | C4 | O1 | 146.7° | 143.1° |
| C26 | C25 | C24 | H37 | 119.9° | 122.7° |
| C26 | C25 | C24 | C6 | 125.9° | 120.1° |
| C26 | C25 | C24 | C22 | 117.5° | 130.3° |
| C26 | C25 | C24 | H36 | 9.3° | 3.0° |
| C25 | C26 | H38 | H39 | 120.0° | 120.0° |
| C25 | C26 | H38 | H40 | 120.0° | 120.0° |
| C25 | C26 | H39 | H40 | 120.0° | 120.0° |
| C3 | C4 | C25 | O1 | 119.0° | 119.3° |
| C3 | C4 | C25 | C24 | 140.1° | 143.7° |
| C3 | C4 | O1 | C6 | 160.0° | 158.5° |
| C4 | C3 | C2 | H5 | 69.8° | 63.8° |
| C4 | C3 | C2 | H6 | 170.8° | 175.9° |
| C3 | C4 | C25 | H37 | 25.9° | 25.0° |
| C4 | C3 | H46 | H47 | 118.8° | 120.1° |
| C4 | C25 | C24 | H37 | 114.2° | 118.6° |
| C25 | C4 | O1 | C6 | 36.4° | 39.4° |
| C4 | C25 | C24 | C6 | 0.1° | 1.4° |
| C4 | C25 | C24 | C22 | 116.5° | 111.0° |
| C4 | C25 | C24 | H36 | 116.6° | 121.7° |
| C4 | C25 | C26 | H38 | 180.0° | 58.5° |
| C4 | C25 | C26 | H39 | 60.0° | 178.6° |
| C4 | C25 | C26 | H40 | 60.0° | 61.5° |
| C25 | C4 | C3 | H46 | 67.5° | 62.1° |
| C25 | C4 | C3 | H47 | 51.7° | 58.0° |
| O1 | C4 | C25 | C24 | 21.0° | 24.3° |
| C4 | O1 | C6 | C24 | 36.3° | 38.3° |
| C4 | O1 | C6 | C7 | 152.8° | 151.9° |
| C4 | O1 | C6 | H4 | 83.0° | 84.0° |
| O1 | C4 | C25 | H37 | 93.2° | 94.3° |
| O1 | C4 | C3 | H46 | 49.8° | 54.2° |
| O1 | C4 | C3 | H47 | 169.0° | 174.3° |
| C25 | C24 | C6 | O1 | 21.0° | 21.9° |
| C25 | C24 | C6 | C22 | 127.3° | 114.4° |
| C25 | C24 | C6 | H36 | 116.5° | 123.4° |
| C25 | C24 | C22 | H36 | 126.9° | 127.5° |
| C25 | C24 | C6 | C7 | 140.1° | 137.0° |
| C25 | C24 | C22 | C23 | 33.2° | 33.8° |
| C25 | C24 | C22 | C21 | 94.5° | 92.8° |
| C25 | C24 | C22 | C8 | 152.1° | 151.1° |
| C25 | C24 | C6 | H4 | 99.4° | 100.3° |
| C24 | C25 | C26 | H38 | 59.8° | 56.2° |
| C24 | C25 | C26 | H39 | 179.8° | 63.8° |
| C24 | C25 | C26 | H40 | 60.2° | 176.2° |
| O1 | C6 | C24 | C7 | 119.0° | 115.2° |
| O1 | C6 | C24 | H4 | 120.4° | 122.1° |
| O1 | C6 | C24 | C22 | 106.3° | 92.6° |
| O1 | C6 | C7 | H4 | 125.0° | 124.2° |
| O1 | C6 | C7 | C8 | 130.1° | 118.0° |
| O1 | C6 | C7 | H7 | 110.9° | 1.0° |
| O1 | C6 | C7 | H8 | 11.2° | 123.0° |
| O1 | C6 | C24 | H36 | 137.5° | 145.3° |
| C6 | C24 | C22 | H36 | 116.4° | 122.3° |
| C24 | C6 | C7 | H4 | 120.4° | 122.8° |
| C6 | C24 | C22 | C23 | 83.6° | 76.3° |
| C6 | C24 | C22 | C21 | 148.8° | 157.1° |
| C6 | C24 | C22 | C8 | 35.3° | 41.0° |
| C24 | C6 | C7 | C8 | 15.5° | 5.0° |
| C24 | C6 | C7 | H7 | 134.5° | 114.0° |
| C24 | C6 | C7 | H8 | 103.4° | 124.0° |
| C6 | C24 | C25 | H37 | 114.3° | 117.2° |
| C22 | C24 | C6 | C7 | 12.8° | 22.6° |
| C24 | C22 | C23 | C21 | 130.3° | 129.8° |
| C24 | C22 | C23 | C8 | 111.4° | 111.8° |
| C24 | C22 | C21 | C8 | 109.8° | 113.1° |
| C24 | C22 | C8 | C7 | 46.1° | 44.7° |
| C24 | C22 | C21 | C20 | 166.1° | 176.9° |
| C24 | C22 | C8 | C9 | 176.8° | 168.7° |
| C24 | C22 | C8 | H1 | 66.2° | 72.1° |
| C22 | C24 | C6 | H4 | 133.3° | 145.3° |
| C24 | C22 | C21 | H31 | 73.5° | 57.0° |
| C24 | C22 | C21 | H32 | 45.7° | 63.8° |
| C24 | C22 | C23 | H33 | 180.0° | 165.3° |
| C24 | C22 | C23 | H34 | 60.0° | 45.3° |
| C24 | C22 | C23 | H35 | 60.0° | 74.7° |
| C22 | C24 | C25 | H37 | 2.4° | 7.6° |
| C6 | C7 | C8 | C22 | 38.6° | 30.3° |
| C6 | C7 | C8 | H7 | 119.0° | 118.9° |
| C6 | C7 | C8 | H8 | 118.9° | 119.0° |
| C6 | C7 | C8 | C9 | 166.3° | 148.0° |
| C6 | C7 | C8 | H1 | 73.6° | 86.5° |
| C6 | C7 | H7 | H8 | 123.0° | 122.0° |
| C7 | C6 | C24 | H36 | 103.5° | 99.6° |
| C23 | C22 | C21 | C8 | 121.9° | 120.3° |
| C23 | C22 | C8 | C7 | 72.6° | 72.6° |
| C23 | C22 | C21 | C20 | 65.7° | 56.5° |
| C23 | C22 | C8 | C9 | 58.2° | 51.5° |
| C23 | C22 | C8 | H1 | 175.2° | 170.7° |
| C23 | C22 | C21 | H31 | 54.7° | 176.3° |
| C23 | C22 | C21 | H32 | 173.9° | 62.8° |
| C22 | C23 | H33 | H34 | 120.0° | 120.0° |
| C22 | C23 | H33 | H35 | 120.0° | 120.0° |
| C22 | C23 | H34 | H35 | 120.0° | 120.0° |
| C23 | C22 | C24 | H36 | 160.0° | 161.4° |
| C21 | C22 | C8 | C7 | 166.6° | 167.2° |
| C22 | C21 | C20 | H31 | 120.4° | 120.1° |
| C22 | C21 | C20 | H32 | 120.4° | 118.9° |
| C21 | C22 | C8 | C9 | 62.6° | 68.8° |
| C22 | C21 | C20 | C19 | 51.8° | 58.4° |
| C21 | C22 | C8 | H1 | 54.4° | 50.5° |
| C22 | C21 | C20 | H29 | 68.9° | 178.8° |
| C22 | C21 | C20 | H30 | 172.5° | 62.2° |
| C22 | C21 | H31 | H32 | 118.9° | 120.6° |
| C21 | C22 | C23 | H33 | 49.7° | 64.9° |
| C21 | C22 | C23 | H34 | 169.7° | 175.1° |
| C21 | C22 | C23 | H35 | 70.3° | 55.1° |
| C21 | C22 | C24 | H36 | 32.4° | 34.7° |
| C22 | C8 | C7 | C9 | 127.7° | 117.7° |
| C22 | C8 | C7 | H1 | 112.1° | 116.8° |
| C8 | C22 | C21 | C20 | 56.2° | 63.8° |
| C22 | C8 | C9 | H1 | 116.9° | 119.3° |
| C22 | C8 | C9 | C19 | 59.9° | 64.4° |
| C22 | C8 | C9 | C10 | 177.7° | 176.8° |
| C22 | C8 | C7 | H7 | 157.5° | 88.6° |
| C22 | C8 | C7 | H8 | 80.4° | 149.3° |
| C8 | C22 | C21 | H31 | 176.6° | 56.0° |
| C8 | C22 | C21 | H32 | 64.2° | 176.9° |
| C8 | C22 | C23 | H33 | 68.6° | 53.4° |
| C8 | C22 | C23 | H34 | 51.4° | 66.6° |
| C8 | C22 | C23 | H35 | 171.4° | 173.4° |
| C8 | C22 | C24 | H36 | 81.1° | 81.3° |
| C22 | C8 | C9 | H66 | 58.3° | 54.7° |
| C7 | C8 | C9 | H1 | 120.1° | 125.5° |
| C7 | C8 | C9 | C19 | 177.1° | 179.7° |
| C7 | C8 | C9 | C10 | 54.8° | 61.5° |
| C8 | C7 | C6 | H4 | 104.9° | 117.9° |
| C8 | C7 | H7 | H8 | 123.0° | 122.1° |
| C7 | C8 | C9 | H66 | 64.7° | 60.6° |
| C21 | C20 | C19 | H29 | 120.7° | 120.1° |
| C21 | C20 | C19 | H30 | 120.7° | 120.8° |
| C21 | C20 | C19 | C9 | 47.6° | 56.1° |
| C21 | C20 | C19 | C17 | 176.0° | 177.4° |
| C21 | C20 | C19 | H28 | 67.9° | 63.3° |
| C21 | C20 | H29 | H30 | 117.8° | 119.1° |
| C20 | C21 | H31 | H32 | 118.8° | 121.0° |
| C8 | C9 | C19 | C20 | 49.7° | 58.3° |
| C8 | C9 | C19 | C10 | 122.8° | 119.7° |
| C8 | C9 | C19 | H66 | 118.3° | 119.1° |
| C8 | C9 | C10 | H66 | 119.5° | 121.6° |
| C8 | C9 | C19 | C17 | 179.1° | 180.0° |
| C8 | C9 | C10 | C11 | 174.7° | 177.7° |
| C9 | C8 | C7 | H7 | 74.7° | 29.1° |
| C9 | C8 | C7 | H8 | 47.4° | 93.0° |
| C8 | C9 | C10 | H13 | 54.3° | 62.3° |
| C8 | C9 | C10 | H14 | 64.9° | 57.7° |
| C8 | C9 | C19 | H28 | 65.8° | 61.2° |
| C20 | C19 | C9 | C17 | 129.4° | 121.7° |
| C20 | C19 | C9 | H28 | 115.5° | 119.5° |
| C20 | C19 | C9 | C10 | 172.5° | 178.0° |
| C20 | C19 | C17 | H28 | 116.1° | 119.2° |
| C20 | C19 | C17 | C18 | 66.7° | 62.3° |
| C20 | C19 | C17 | C16 | 53.8° | 57.8° |
| C20 | C19 | C17 | C12 | 170.9° | 177.7° |
| C19 | C20 | H29 | H30 | 117.7° | 119.1° |
| C19 | C20 | C21 | H31 | 172.2° | 61.6° |
| C19 | C20 | C21 | H32 | 68.6° | 177.4° |
| C20 | C19 | C9 | H66 | 68.6° | 60.8° |
| C19 | C9 | C10 | H66 | 118.9° | 120.8° |
| C9 | C19 | C17 | H28 | 115.1° | 118.7° |
| C19 | C9 | C10 | C11 | 53.1° | 60.1° |
| C9 | C19 | C17 | C18 | 62.0° | 59.8° |
| C9 | C19 | C17 | C16 | 177.5° | 179.9° |
| C9 | C19 | C17 | C12 | 60.4° | 60.3° |
| C19 | C9 | C8 | H1 | 57.0° | 54.8° |
| C19 | C9 | C10 | H13 | 67.2° | 179.9° |
| C19 | C9 | C10 | H14 | 173.5° | 59.9° |
| C9 | C19 | C20 | H29 | 73.1° | 176.2° |
| C9 | C19 | C20 | H30 | 168.4° | 64.7° |
| C10 | C9 | C19 | C17 | 58.1° | 60.3° |
| C9 | C10 | C11 | H13 | 120.3° | 120.0° |
| C9 | C10 | C11 | H14 | 120.4° | 120.0° |
| C9 | C10 | C11 | C12 | 53.7° | 60.2° |
| C10 | C9 | C8 | H1 | 65.4° | 64.0° |
| C9 | C10 | H13 | H14 | 118.9° | 120.0° |
| C9 | C10 | C11 | H15 | 174.0° | 179.9° |
| C9 | C10 | C11 | H16 | 66.6° | 59.9° |
| C10 | C9 | C19 | H28 | 57.0° | 58.5° |
| C19 | C17 | C18 | C16 | 121.5° | 120.1° |
| C19 | C17 | C18 | C12 | 118.6° | 120.0° |
| C19 | C17 | C16 | C12 | 115.8° | 119.8° |
| C19 | C17 | C12 | C11 | 60.3° | 60.1° |
| C19 | C17 | C16 | C15 | 171.6° | 179.8° |
| C19 | C17 | C12 | C13 | 174.7° | 179.8° |
| C19 | C17 | C12 | H17 | 57.5° | 59.9° |
| C19 | C17 | C16 | H23 | 67.8° | 59.8° |
| C19 | C17 | C16 | H24 | 51.1° | 60.2° |
| C19 | C17 | C18 | H25 | 180.0° | 179.9° |
| C19 | C17 | C18 | H26 | 60.0° | 59.9° |
| C19 | C17 | C18 | H27 | 60.0° | 60.0° |
| C17 | C19 | C20 | H29 | 55.3° | 62.5° |
| C17 | C19 | C20 | H30 | 63.3° | 56.6° |
| C17 | C19 | C9 | H66 | 60.8° | 60.9° |
| C10 | C11 | C12 | C17 | 58.3° | 60.0° |
| C10 | C11 | C12 | H15 | 120.3° | 120.0° |
| C10 | C11 | C12 | H16 | 120.3° | 120.0° |
| C10 | C11 | C12 | C13 | 177.3° | 179.9° |
| C11 | C10 | H13 | H14 | 118.9° | 120.0° |
| C10 | C11 | H15 | H16 | 119.2° | 120.0° |
| C10 | C11 | C12 | H17 | 59.2° | 60.0° |
| C11 | C10 | C9 | H66 | 65.8° | 60.6° |
| C18 | C17 | C16 | C12 | 122.5° | 120.0° |
| C18 | C17 | C12 | C11 | 61.0° | 60.1° |
| C18 | C17 | C16 | C15 | 66.7° | 60.1° |
| C18 | C17 | C12 | C13 | 64.1° | 60.1° |
| C18 | C17 | C12 | H17 | 178.7° | 180.0° |
| C18 | C17 | C16 | H23 | 53.8° | 179.9° |
| C18 | C17 | C16 | H24 | 172.8° | 59.9° |
| C17 | C18 | H25 | H26 | 120.0° | 120.0° |
| C17 | C18 | H25 | H27 | 120.0° | 120.0° |
| C17 | C18 | H26 | H27 | 120.0° | 120.0° |
| C18 | C17 | C19 | H28 | 177.2° | 178.5° |
| C16 | C17 | C12 | C11 | 178.8° | 180.0° |
| C17 | C16 | C15 | H23 | 120.5° | 120.0° |
| C17 | C16 | C15 | H24 | 120.5° | 120.0° |
| C16 | C17 | C12 | C13 | 56.1° | 59.9° |
| C17 | C16 | C15 | C14 | 56.1° | 60.0° |
| C16 | C17 | C12 | H17 | 61.1° | 60.0° |
| C17 | C16 | C15 | H21 | 64.0° | 180.0° |
| C17 | C16 | C15 | H22 | 176.3° | 60.0° |
| C17 | C16 | H23 | H24 | 118.4° | 119.9° |
| C16 | C17 | C18 | H25 | 58.5° | 60.0° |
| C16 | C17 | C18 | H26 | 178.5° | 180.0° |
| C16 | C17 | C18 | H27 | 61.5° | 60.0° |
| C16 | C17 | C19 | H28 | 62.4° | 61.4° |
| C17 | C12 | C11 | C13 | 124.3° | 120.1° |
| C17 | C12 | C11 | H17 | 117.5° | 119.9° |
| C12 | C17 | C16 | C15 | 55.8° | 59.9° |
| C17 | C12 | C13 | H17 | 117.0° | 119.9° |
| C17 | C12 | C13 | C14 | 58.2° | 60.0° |
| C17 | C12 | C11 | H15 | 178.6° | 179.9° |
| C17 | C12 | C11 | H16 | 61.9° | 60.1° |
| C17 | C12 | C13 | H18 | 178.4° | 180.0° |
| C17 | C12 | C13 | H19 | 62.1° | 60.0° |
| C12 | C17 | C16 | H23 | 176.3° | 60.1° |
| C12 | C17 | C16 | H24 | 64.7° | 179.9° |
| C12 | C17 | C18 | H25 | 61.4° | 60.0° |
| C12 | C17 | C18 | H26 | 58.6° | 60.1° |
| C12 | C17 | C18 | H27 | 178.6° | 180.0° |
| C12 | C17 | C19 | H28 | 54.8° | 58.4° |
| C11 | C12 | C13 | H17 | 118.3° | 120.0° |
| C11 | C12 | C13 | C14 | 177.1° | 179.9° |
| C12 | C11 | C10 | H13 | 66.6° | 179.9° |
| C12 | C11 | C10 | H14 | 174.1° | 59.8° |
| C12 | C11 | H15 | H16 | 119.2° | 120.0° |
| C11 | C12 | C13 | H18 | 56.9° | 59.9° |
| C11 | C12 | C13 | H19 | 62.7° | 60.1° |
| C16 | C15 | C14 | H21 | 120.1° | 120.0° |
| C16 | C15 | C14 | H22 | 120.1° | 120.0° |
| C16 | C15 | C14 | C13 | 55.7° | 60.0° |
| C16 | C15 | C14 | O2 | 177.4° | 180.0° |
| C16 | C15 | C14 | H20 | 63.7° | 60.0° |
| C16 | C15 | H21 | H22 | 119.6° | 120.0° |
| C15 | C16 | H23 | H24 | 118.3° | 120.0° |
| C12 | C13 | C14 | C15 | 57.8° | 60.0° |
| C12 | C13 | C14 | H18 | 120.2° | 120.0° |
| C12 | C13 | C14 | H19 | 120.3° | 120.0° |
| C12 | C13 | C14 | O2 | 177.9° | 180.0° |
| C13 | C12 | C11 | H15 | 57.1° | 60.0° |
| C13 | C12 | C11 | H16 | 62.4° | 60.0° |
| C12 | C13 | H18 | H19 | 119.3° | 119.9° |
| C12 | C13 | C14 | H20 | 61.7° | 60.1° |
| C15 | C14 | C13 | O2 | 120.1° | 120.0° |
| C15 | C14 | C13 | H20 | 119.4° | 120.1° |
| C15 | C14 | O2 | H20 | 118.1° | 120.1° |
| C15 | C14 | O2 | C27 | 155.2° | 90.0° |
| C15 | C14 | C13 | H18 | 178.0° | 180.0° |
| C15 | C14 | C13 | H19 | 62.5° | 60.0° |
| C14 | C15 | H21 | H22 | 119.6° | 120.0° |
| C14 | C15 | C16 | H23 | 176.7° | 60.0° |
| C14 | C15 | C16 | H24 | 64.4° | 180.0° |
| C13 | C14 | O2 | H20 | 119.8° | 119.9° |
| C13 | C14 | O2 | C27 | 82.7° | 150.0° |
| C14 | C13 | C12 | H17 | 58.8° | 59.9° |
| C14 | C13 | H18 | H19 | 119.3° | 120.0° |
| C13 | C14 | C15 | H21 | 64.5° | 179.9° |
| C13 | C14 | C15 | H22 | 175.8° | 60.0° |
| C14 | O2 | C27 | C28 | 114.8° | 180.0° |
| O2 | C14 | C13 | H18 | 61.9° | 60.0° |
| O2 | C14 | C13 | H19 | 57.6° | 60.0° |
| O2 | C14 | C15 | H21 | 57.3° | 60.1° |
| O2 | C14 | C15 | H22 | 62.4° | 60.0° |
| C14 | O2 | C27 | H41 | 5.1° | 60.0° |
| C14 | O2 | C27 | H42 | 125.2° | 60.0° |
| O2 | C27 | C28 | H41 | 120.0° | 120.0° |
| O2 | C27 | C28 | H42 | 120.0° | 120.1° |
| O2 | C27 | C28 | C29 | 126.4° | 174.4° |
| C27 | O2 | C14 | H20 | 37.1° | 30.0° |
| O2 | C27 | H41 | H42 | 120.1° | 120.1° |
| O2 | C27 | C28 | H43 | 6.1° | 65.6° |
| O2 | C27 | C28 | H44 | 113.3° | 54.3° |
| C27 | C28 | C29 | H43 | 120.3° | 120.0° |
| C27 | C28 | C29 | H44 | 120.3° | 120.0° |
| C27 | C28 | C29 | C43 | 136.1° | 174.5° |
| C27 | C28 | C29 | C30 | 99.3° | 65.5° |
| C28 | C27 | H41 | H42 | 120.0° | 120.0° |
| C27 | C28 | H43 | H44 | 119.2° | 120.0° |
| C27 | C28 | C29 | H45 | 18.5° | 54.4° |
| C28 | C29 | C43 | O14 | 0.2° | 65.1° |
| C28 | C29 | C43 | C30 | 124.1° | 120.0° |
| C28 | C29 | C43 | H45 | 117.5° | 120.0° |
| C28 | C29 | C30 | H45 | 117.8° | 120.0° |
| C28 | C29 | C30 | O3 | 81.7° | 175.0° |
| C29 | C28 | C27 | H41 | 113.6° | 54.4° |
| C29 | C28 | C27 | H42 | 6.4° | 65.6° |
| C29 | C28 | H43 | H44 | 119.2° | 120.0° |
| C28 | C29 | C30 | H48 | 38.5° | 54.9° |
| C28 | C29 | C30 | H49 | 158.2° | 65.0° |
| C28 | C29 | C43 | H64 | 120.1° | 174.8° |
| C28 | C29 | C43 | H65 | 120.4° | 54.8° |
| O14 | C43 | C29 | H64 | 120.2° | 120.1° |
| O14 | C43 | C29 | H65 | 120.2° | 119.9° |
| O14 | C43 | C29 | C30 | 124.3° | 174.9° |
| O14 | C43 | C29 | H45 | 117.3° | 54.9° |
| O14 | C43 | H64 | H65 | 119.2° | 119.9° |
| C43 | C29 | C30 | H45 | 118.3° | 120.0° |
| C43 | C29 | C30 | O3 | 154.4° | 65.0° |
| C43 | C29 | C28 | H43 | 103.6° | 65.6° |
| C43 | C29 | C28 | H44 | 15.8° | 54.4° |
| C43 | C29 | C30 | H48 | 85.4° | 175.0° |
| C43 | C29 | C30 | H49 | 34.3° | 55.0° |
| C29 | C43 | H64 | H65 | 119.3° | 120.0° |
| C29 | C43 | O14 | H71 | 180.0° | 180.0° |
| C29 | C30 | O3 | H48 | 120.1° | 120.0° |
| C29 | C30 | O3 | H49 | 120.2° | 120.0° |
| C29 | C30 | O3 | C31 | 129.6° | 180.0° |
| C30 | C29 | C28 | H43 | 20.9° | 54.4° |
| C30 | C29 | C28 | H44 | 140.4° | 174.4° |
| C29 | C30 | H48 | H49 | 119.5° | 119.9° |
| C30 | C29 | C43 | H64 | 4.1° | 54.8° |
| C30 | C29 | C43 | H65 | 115.5° | 65.2° |
| C30 | O3 | C31 | C32 | 137.7° | 175.0° |
| C30 | O3 | C31 | O4 | 101.7° | 65.1° |
| O3 | C30 | C29 | H45 | 36.1° | 55.0° |
| O3 | C30 | H48 | H49 | 119.5° | 120.0° |
| C30 | O3 | C31 | H50 | 19.6° | 54.9° |
| O3 | C31 | C32 | O13 | 60.7° | 62.5° |
| O3 | C31 | C32 | O4 | 120.5° | 120.0° |
| O3 | C31 | C32 | H50 | 119.3° | 120.1° |
| O3 | C31 | O4 | H50 | 121.5° | 120.0° |
| O3 | C31 | C32 | C33 | 178.4° | 177.6° |
| O3 | C31 | O4 | C35 | 179.4° | 178.9° |
| C31 | O3 | C30 | H48 | 110.3° | 60.0° |
| C31 | O3 | C30 | H49 | 9.4° | 60.0° |
| O3 | C31 | C32 | H51 | 60.0° | 57.7° |
| O13 | C32 | C31 | C33 | 120.9° | 120.0° |
| O13 | C32 | C31 | H51 | 120.7° | 120.2° |
| O13 | C32 | C31 | O4 | 178.8° | 177.5° |
| O13 | C32 | C33 | H51 | 120.7° | 120.2° |
| O13 | C32 | C33 | O12 | 60.2° | 63.2° |
| O13 | C32 | C33 | C34 | 176.9° | 176.9° |
| O13 | C32 | C31 | H50 | 58.6° | 57.6° |
| O13 | C32 | C33 | H52 | 59.5° | 56.9° |
| C32 | C31 | O4 | H50 | 119.3° | 119.9° |
| C31 | C32 | C33 | H51 | 118.4° | 119.8° |
| C32 | C31 | O4 | C35 | 61.4° | 61.1° |
| C31 | C32 | C33 | O12 | 178.9° | 176.8° |
| C31 | C32 | C33 | C34 | 56.0° | 57.0° |
| C31 | C32 | C33 | H52 | 61.4° | 63.0° |
| C31 | C32 | O13 | H70 | 180.0° | 60.0° |
| O4 | C31 | C32 | C33 | 57.9° | 57.6° |
| C31 | O4 | C35 | C34 | 60.5° | 61.2° |
| C31 | O4 | C35 | C36 | 175.3° | 178.8° |
| O4 | C31 | C32 | H51 | 60.5° | 62.3° |
| C31 | O4 | C35 | H54 | 58.1° | 58.8° |
| C32 | C33 | O12 | C34 | 121.8° | 119.6° |
| C32 | C33 | O12 | H52 | 118.9° | 120.1° |
| C32 | C33 | C34 | H52 | 117.4° | 119.9° |
| C32 | C33 | C34 | C35 | 56.1° | 57.0° |
| C32 | C33 | C34 | O6 | 176.3° | 176.9° |
| C33 | C32 | C31 | H50 | 62.3° | 62.4° |
| C32 | C33 | C34 | H53 | 63.8° | 63.0° |
| C32 | C33 | O12 | H69 | 180.0° | 59.9° |
| C33 | C32 | O13 | H70 | 59.7° | 179.7° |
| O4 | C35 | C34 | C33 | 56.9° | 57.6° |
| O4 | C35 | C34 | C36 | 119.4° | 120.0° |
| O4 | C35 | C34 | H54 | 119.4° | 120.0° |
| O4 | C35 | C36 | H54 | 117.9° | 120.0° |
| O4 | C35 | C34 | O6 | 175.0° | 177.5° |
| O4 | C35 | C36 | O5 | 64.6° | 63.8° |
| C35 | O4 | C31 | H50 | 57.9° | 58.8° |
| O4 | C35 | C34 | H53 | 63.0° | 62.3° |
| O4 | C35 | C36 | H55 | 175.1° | 176.2° |
| O4 | C35 | C36 | H56 | 55.6° | 56.2° |
| O12 | C33 | C34 | H52 | 120.1° | 120.2° |
| O12 | C33 | C34 | C35 | 178.6° | 176.9° |
| O12 | C33 | C34 | O6 | 61.2° | 63.3° |
| O12 | C33 | C32 | H51 | 60.5° | 57.0° |
| O12 | C33 | C34 | H53 | 58.7° | 56.9° |
| C33 | C34 | C35 | O6 | 118.1° | 119.9° |
| C33 | C34 | C35 | H53 | 119.9° | 119.9° |
| C33 | C34 | C35 | C36 | 176.3° | 177.6° |
| C33 | C34 | O6 | H53 | 119.1° | 120.1° |
| C33 | C34 | O6 | C37 | 126.5° | 83.9° |
| C34 | C33 | C32 | H51 | 62.4° | 62.9° |
| C33 | C34 | C35 | H54 | 62.5° | 62.4° |
| C34 | C33 | O12 | H69 | 58.2° | 179.5° |
| C34 | C35 | C36 | H54 | 121.1° | 120.0° |
| C35 | C34 | O6 | H53 | 121.2° | 120.2° |
| C34 | C35 | C36 | O5 | 174.4° | 176.2° |
| C35 | C34 | O6 | C37 | 113.8° | 156.4° |
| C35 | C34 | C33 | H52 | 61.3° | 62.9° |
| C34 | C35 | C36 | H55 | 54.1° | 56.2° |
| C34 | C35 | C36 | H56 | 65.4° | 63.8° |
| C36 | C35 | C34 | O6 | 65.6° | 62.5° |
| C35 | C36 | O5 | H55 | 120.2° | 120.0° |
| C35 | C36 | O5 | H56 | 120.3° | 120.0° |
| C36 | C35 | C34 | H53 | 56.4° | 57.7° |
| C35 | C36 | H55 | H56 | 119.2° | 120.0° |
| C35 | C36 | O5 | H72 | 180.0° | 180.0° |
| C34 | O6 | C37 | C38 | 104.2° | 170.8° |
| C34 | O6 | C37 | O7 | 136.3° | 69.2° |
| O6 | C34 | C33 | H52 | 58.9° | 57.0° |
| O6 | C34 | C35 | H54 | 55.6° | 57.5° |
| C34 | O6 | C37 | H57 | 14.8° | 50.8° |
| O5 | C36 | C35 | H54 | 53.3° | 56.2° |
| O5 | C36 | H55 | H56 | 119.2° | 120.0° |
| O10 | C39 | C38 | C37 | 77.9° | 176.9° |
| O10 | C39 | C38 | C40 | 125.4° | 119.9° |
| O10 | C39 | C38 | H59 | 117.4° | 120.3° |
| O10 | C39 | C38 | O11 | 160.4° | 63.2° |
| O10 | C39 | C40 | H59 | 117.9° | 120.3° |
| O10 | C39 | C40 | C41 | 84.6° | 176.9° |
| O10 | C39 | C40 | O9 | 152.9° | 63.3° |
| O10 | C39 | C38 | H58 | 40.1° | 56.9° |
| O10 | C39 | C40 | H60 | 34.5° | 56.9° |
| O6 | C37 | C38 | O7 | 119.5° | 120.0° |
| O6 | C37 | C38 | H57 | 120.0° | 120.0° |
| O6 | C37 | O7 | H57 | 121.5° | 120.0° |
| O6 | C37 | C38 | C39 | 179.8° | 62.4° |
| O6 | C37 | C38 | O11 | 58.0° | 57.5° |
| O6 | C37 | O7 | C41 | 173.5° | 58.8° |
| C37 | O6 | C34 | H53 | 7.4° | 36.2° |
| O6 | C37 | C38 | H58 | 62.1° | 177.7° |
| O8 | C42 | C41 | H62 | 120.3° | 120.0° |
| O8 | C42 | C41 | H63 | 120.3° | 119.9° |
| O8 | C42 | C41 | O7 | 156.0° | 65.0° |
| O8 | C42 | C41 | C40 | 31.9° | 175.1° |
| O8 | C42 | C41 | H61 | 87.4° | 55.0° |
| O8 | C42 | H62 | H63 | 119.1° | 120.0° |
| C38 | C37 | O7 | H57 | 119.5° | 120.0° |
| C37 | C38 | C39 | O11 | 121.7° | 119.9° |
| C37 | C38 | C39 | H58 | 118.1° | 120.0° |
| C37 | C38 | O11 | H58 | 119.3° | 120.2° |
| C37 | C38 | C39 | C40 | 47.4° | 57.0° |
| C38 | C37 | O7 | C41 | 67.5° | 61.2° |
| C37 | C38 | C39 | H59 | 164.7° | 62.8° |
| C37 | C38 | O11 | H68 | 180.0° | 60.0° |
| C37 | O7 | C41 | C42 | 68.0° | 178.9° |
| O7 | C37 | C38 | C39 | 60.3° | 57.6° |
| O7 | C37 | C38 | O11 | 61.5° | 177.5° |
| C37 | O7 | C41 | C40 | 58.2° | 61.2° |
| O7 | C37 | C38 | H58 | 178.4° | 62.4° |
| C37 | O7 | C41 | H61 | 176.0° | 58.8° |
| C42 | C41 | C40 | C39 | 78.5° | 177.6° |
| C42 | C41 | O7 | C40 | 126.2° | 120.0° |
| C42 | C41 | O7 | H61 | 115.9° | 120.0° |
| C42 | C41 | C40 | H61 | 119.4° | 120.1° |
| C42 | C41 | C40 | O9 | 158.5° | 62.5° |
| C42 | C41 | C40 | H60 | 40.6° | 57.6° |
| C41 | C42 | H62 | H63 | 119.0° | 120.0° |
| C41 | C42 | O8 | H73 | 180.0° | 180.0° |
| C39 | C38 | O11 | H58 | 119.5° | 120.1° |
| C38 | C39 | C40 | H59 | 117.3° | 119.8° |
| C38 | C39 | C40 | C41 | 40.2° | 57.0° |
| C38 | C39 | C40 | O9 | 82.3° | 176.9° |
| C39 | C38 | C37 | H57 | 60.1° | 177.6° |
| C38 | C39 | C40 | H60 | 159.3° | 63.0° |
| C38 | C39 | O10 | H67 | 180.0° | 60.0° |
| C39 | C38 | O11 | H68 | 58.8° | 179.7° |
| O11 | C38 | C39 | C40 | 74.2° | 176.9° |
| O11 | C38 | C37 | H57 | 178.0° | 62.5° |
| O11 | C38 | C39 | H59 | 43.0° | 57.1° |
| C39 | C40 | C41 | O7 | 43.6° | 57.6° |
| C39 | C40 | C41 | O9 | 122.9° | 119.9° |
| C39 | C40 | C41 | H60 | 119.1° | 120.0° |
| C39 | C40 | O9 | H60 | 117.6° | 120.2° |
| C40 | C39 | C38 | H58 | 165.5° | 63.0° |
| C39 | C40 | C41 | H61 | 162.1° | 62.3° |
| C40 | C39 | O10 | H67 | 53.7° | 179.6° |
| C39 | C40 | O9 | H74 | 180.0° | 60.0° |
| O7 | C41 | C40 | H61 | 118.5° | 120.0° |
| O7 | C41 | C40 | O9 | 79.4° | 177.5° |
| C41 | O7 | C37 | H57 | 52.0° | 178.8° |
| O7 | C41 | C40 | H60 | 162.7° | 62.3° |
| O7 | C41 | C42 | H62 | 83.6° | 174.9° |
| O7 | C41 | C42 | H63 | 35.7° | 54.9° |
| C41 | C40 | O9 | H60 | 117.1° | 120.1° |
| C41 | C40 | C39 | H59 | 157.5° | 62.9° |
| C40 | C41 | C42 | H62 | 152.2° | 55.0° |
| C40 | C41 | C42 | H63 | 88.5° | 65.0° |
| C41 | C40 | O9 | H74 | 54.6° | 179.7° |
| O9 | C40 | C39 | H59 | 35.1° | 57.0° |
| O9 | C40 | C41 | H61 | 39.1° | 57.6° |
| H1 | C8 | C7 | H7 | 45.4° | 154.6° |
| H1 | C8 | C7 | H8 | 167.5° | 32.5° |
| H1 | C8 | C9 | H66 | 175.2° | 173.9° |
| H2 | C5 | C1 | H12 | 60.0° | 58.1° |
| H3 | C5 | C1 | H12 | 179.2° | 178.2° |
| H4 | C6 | C7 | H7 | 14.1° | 123.2° |
| H4 | C6 | C7 | H8 | 136.2° | 1.2° |
| H4 | C6 | C24 | H36 | 17.1° | 23.1° |
| H5 | C2 | C1 | H12 | 174.7° | 177.6° |
| H5 | C2 | C3 | H46 | 50.6° | 56.2° |
| H5 | C2 | C3 | H47 | 169.8° | 176.3° |
| H6 | C2 | C1 | H12 | 55.3° | 57.3° |
| H6 | C2 | C3 | H46 | 68.8° | 64.1° |
| H6 | C2 | C3 | H47 | 50.4° | 56.0° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
| H9 | C | C1 | H12 | 61.0° | 60.1° |
| H10 | C | C1 | H12 | 179.0° | 59.8° |
| H11 | C | C1 | H12 | 59.0° | 179.9° |
| H13 | C10 | C11 | H15 | 53.6° | 59.9° |
| H13 | C10 | C11 | H16 | 173.1° | 60.1° |
| H13 | C10 | C9 | H66 | 173.9° | 59.4° |
| H14 | C10 | C11 | H15 | 65.7° | 60.2° |
| H14 | C10 | C11 | H16 | 53.8° | 179.9° |
| H14 | C10 | C9 | H66 | 54.6° | 179.4° |
| H15 | C11 | C12 | H17 | 61.1° | 60.0° |
| H16 | C11 | C12 | H17 | 179.4° | 180.0° |
| H17 | C12 | C13 | H18 | 61.4° | 60.2° |
| H17 | C12 | C13 | H19 | 179.1° | 179.9° |
| H18 | C13 | C14 | H20 | 58.6° | 59.9° |
| H19 | C13 | C14 | H20 | 178.1° | 179.9° |
| H20 | C14 | C15 | H21 | 176.1° | 59.9° |
| H20 | C14 | C15 | H22 | 56.4° | 180.0° |
| H21 | C15 | C16 | H23 | 56.5° | 60.0° |
| H21 | C15 | C16 | H24 | 175.4° | 60.0° |
| H22 | C15 | C16 | H23 | 63.2° | 180.0° |
| H22 | C15 | C16 | H24 | 55.7° | 60.0° |
| H25 | C18 | H26 | H27 | 120.0° | 120.0° |
| H28 | C19 | C20 | H29 | 171.4° | 56.7° |
| H28 | C19 | C20 | H30 | 52.8° | 175.8° |
| H28 | C19 | C9 | H66 | 175.9° | 179.7° |
| H29 | C20 | C21 | H31 | 51.5° | 58.7° |
| H29 | C20 | C21 | H32 | 170.7° | 62.3° |
| H30 | C20 | C21 | H31 | 67.1° | 177.7° |
| H30 | C20 | C21 | H32 | 52.1° | 56.7° |
| H33 | C23 | H34 | H35 | 120.0° | 120.0° |
| H36 | C24 | C25 | H37 | 129.2° | 119.6° |
| H37 | C25 | C26 | H38 | 60.0° | 178.9° |
| H37 | C25 | C26 | H39 | 60.1° | 58.8° |
| H37 | C25 | C26 | H40 | 179.9° | 61.1° |
| H38 | C26 | H39 | H40 | 120.0° | 119.9° |
| H41 | C27 | C28 | H43 | 126.1° | 174.4° |
| H41 | C27 | C28 | H44 | 6.7° | 65.6° |
| H42 | C27 | C28 | H43 | 113.8° | 54.4° |
| H42 | C27 | C28 | H44 | 126.7° | 174.4° |
| H43 | C28 | C29 | H45 | 138.8° | 174.4° |
| H44 | C28 | C29 | H45 | 101.7° | 65.6° |
| H45 | C29 | C30 | H48 | 156.3° | 65.0° |
| H45 | C29 | C30 | H49 | 84.1° | 175.1° |
| H45 | C29 | C43 | H64 | 122.4° | 65.1° |
| H45 | C29 | C43 | H65 | 2.9° | 174.8° |
| H50 | C31 | C32 | H51 | 179.3° | 177.8° |
| H51 | C32 | C33 | H52 | 179.8° | 177.1° |
| H51 | C32 | O13 | H70 | 60.1° | 60.2° |
| H52 | C33 | C34 | H53 | 178.8° | 177.1° |
| H52 | C33 | O12 | H69 | 61.1° | 60.2° |
| H53 | C34 | C35 | H54 | 177.6° | 177.7° |
| H54 | C35 | C36 | H55 | 67.0° | 63.8° |
| H54 | C35 | C36 | H56 | 173.5° | 176.2° |
| H55 | C36 | O5 | H72 | 59.7° | 60.0° |
| H56 | C36 | O5 | H72 | 59.8° | 60.0° |
| H57 | C37 | C38 | H58 | 57.9° | 57.6° |
| H58 | C38 | C39 | H59 | 77.3° | 177.2° |
| H58 | C38 | O11 | H68 | 60.7° | 60.2° |
| H59 | C39 | C40 | H60 | 83.4° | 177.2° |
| H59 | C39 | O10 | H67 | 63.3° | 60.2° |
| H60 | C40 | C41 | H61 | 78.8° | 177.7° |
| H60 | C40 | O9 | H74 | 62.4° | 60.2° |
| H61 | C41 | C42 | H62 | 32.9° | 65.1° |
| H61 | C41 | C42 | H63 | 152.3° | 174.9° |
| H62 | C42 | O8 | H73 | 59.7° | 60.0° |
| H63 | C42 | O8 | H73 | 59.7° | 60.1° |
| H64 | C43 | O14 | H71 | 59.8° | 59.9° |
| H65 | C43 | O14 | H71 | 59.8° | 60.0° |
