SRV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C43 | C44 | sing | 1.53Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C25 | C44 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C45 | C19 | sing | 1.53Å | 1.53Å | |
| C42 | C41 | sing | 1.53Å | 1.54Å | |
| C41 | C40 | sing | 1.53Å | 1.54Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.55Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C39 | C40 | sing | 1.53Å | 1.55Å | |
| C39 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.51Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| O9 | C26 | doub | 1.21Å | 1.23Å | |
| C26 | O8 | sing | 1.34Å | 1.39Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| O8 | C8 | sing | 1.45Å | 1.44Å | |
| C11 | C10 | sing | 1.51Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| O7 | C9 | sing | 1.45Å | 1.42Å | |
| O7 | C10 | sing | 1.34Å | 1.36Å | |
| C10 | O10 | doub | 1.21Å | 1.24Å | |
| C7 | O1 | sing | 1.43Å | 1.46Å | |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| O2 | C2 | sing | 1.43Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C3 | O3 | sing | 1.43Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| O6A | C6 | doub | 1.21Å | 1.26Å | |
| C6 | O6B | sing | 1.34Å | 1.26Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| O6B | H9 | sing | 0.97Å | 0.95Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | 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 | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C28 | H47 | sing | 1.09Å | 1.10Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C29 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C30 | H51 | sing | 1.09Å | 1.10Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C31 | H53 | sing | 1.09Å | 1.10Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C34 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C35 | 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 | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C38 | H66 | sing | 1.09Å | 1.10Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C39 | H68 | sing | 1.09Å | 1.10Å | |
| C39 | H69 | sing | 1.09Å | 1.10Å | |
| C40 | H70 | sing | 1.09Å | 1.10Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| C41 | H72 | sing | 1.09Å | 1.10Å | |
| C41 | H73 | sing | 1.09Å | 1.10Å | |
| C42 | H74 | sing | 1.09Å | 1.10Å | |
| C42 | H75 | sing | 1.09Å | 1.10Å | |
| C42 | H76 | sing | 1.09Å | 1.10Å | |
| C43 | H77 | sing | 1.09Å | 1.10Å | |
| C43 | H78 | sing | 1.09Å | 1.10Å | |
| C43 | H79 | sing | 1.09Å | 1.10Å | |
| C44 | H80 | sing | 1.09Å | 1.10Å | |
| C44 | H81 | sing | 1.09Å | 1.10Å | |
| C45 | H82 | sing | 1.09Å | 1.10Å | |
| C45 | H83 | sing | 1.09Å | 1.10Å | |
| C45 | H84 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 107.7° | 109.4° |
| C22 | C23 | C24 | 109.5° | 109.5° |
| C23 | C22 | H36 | 109.9° | 109.5° |
| C23 | C22 | H37 | 109.9° | 109.4° |
| C22 | C23 | H38 | 109.5° | 109.5° |
| C22 | C23 | H39 | 109.5° | 109.5° |
| C22 | C21 | C20 | 109.2° | 109.4° |
| C22 | C21 | H34 | 109.5° | 109.5° |
| C22 | C21 | H35 | 109.6° | 109.5° |
| C21 | C22 | H36 | 109.9° | 109.5° |
| C21 | C22 | H37 | 109.9° | 109.5° |
| C23 | C24 | C25 | 110.2° | 109.5° |
| C24 | C23 | H38 | 109.4° | 109.5° |
| C24 | C23 | H39 | 109.4° | 109.4° |
| C23 | C24 | H40 | 109.3° | 109.5° |
| C23 | C24 | H41 | 109.3° | 109.4° |
| C24 | C25 | C44 | 109.8° | 109.5° |
| C25 | C24 | H40 | 109.3° | 109.5° |
| C25 | C24 | H41 | 109.3° | 109.5° |
| C24 | C25 | H42 | 109.4° | 109.5° |
| C24 | C25 | H43 | 109.4° | 109.4° |
| C43 | C44 | C25 | 111.1° | 109.5° |
| C44 | C43 | H77 | 109.5° | 109.4° |
| C44 | C43 | H78 | 109.5° | 109.5° |
| C44 | C43 | H79 | 109.5° | 109.5° |
| C43 | C44 | H80 | 109.1° | 109.5° |
| C43 | C44 | H81 | 109.1° | 109.5° |
| C21 | C20 | C19 | 111.7° | 109.5° |
| C21 | C20 | H32 | 108.9° | 109.5° |
| C21 | C20 | H33 | 108.9° | 109.5° |
| C20 | C21 | H34 | 109.6° | 109.5° |
| C20 | C21 | H35 | 109.6° | 109.5° |
| C44 | C25 | H42 | 109.4° | 109.5° |
| C44 | C25 | H43 | 109.4° | 109.5° |
| C25 | C44 | H80 | 109.1° | 109.5° |
| C25 | C44 | H81 | 109.1° | 109.4° |
| C20 | C19 | C45 | 110.7° | 109.5° |
| C20 | C19 | C18 | 110.5° | 109.5° |
| C20 | C19 | H31 | 109.4° | 109.4° |
| C19 | C20 | H32 | 108.9° | 109.5° |
| C19 | C20 | H33 | 108.9° | 109.4° |
| C35 | C34 | C33 | 110.7° | 109.5° |
| C34 | C35 | C36 | 108.9° | 109.5° |
| C35 | C34 | H58 | 109.2° | 109.5° |
| C35 | C34 | H59 | 109.2° | 109.5° |
| C34 | C35 | H60 | 109.6° | 109.5° |
| C34 | C35 | H61 | 109.6° | 109.5° |
| C34 | C33 | C32 | 109.4° | 109.5° |
| C34 | C33 | H56 | 109.5° | 109.5° |
| C34 | C33 | H57 | 109.5° | 109.5° |
| C33 | C34 | H58 | 109.2° | 109.4° |
| C33 | C34 | H59 | 109.2° | 109.5° |
| C45 | C19 | C18 | 107.1° | 109.5° |
| C45 | C19 | H31 | 109.6° | 109.5° |
| C19 | C45 | H82 | 109.5° | 109.5° |
| C19 | C45 | H83 | 109.5° | 109.5° |
| C19 | C45 | H84 | 109.5° | 109.4° |
| C42 | C41 | C40 | 111.5° | 109.5° |
| C42 | C41 | H72 | 109.0° | 109.5° |
| C42 | C41 | H73 | 109.0° | 109.5° |
| C41 | C42 | H74 | 109.5° | 109.4° |
| C41 | C42 | H75 | 109.5° | 109.5° |
| C41 | C42 | H76 | 109.5° | 109.5° |
| C41 | C40 | C39 | 110.1° | 109.5° |
| C41 | C40 | H70 | 109.3° | 109.5° |
| C41 | C40 | H71 | 109.3° | 109.5° |
| C40 | C41 | H72 | 109.0° | 109.4° |
| C40 | C41 | H73 | 109.0° | 109.5° |
| C35 | C36 | C37 | 110.2° | 109.5° |
| C36 | C35 | H60 | 109.6° | 109.5° |
| C36 | C35 | H61 | 109.6° | 109.5° |
| C35 | C36 | H62 | 109.3° | 109.4° |
| C35 | C36 | H63 | 109.3° | 109.5° |
| C33 | C32 | C31 | 111.6° | 109.5° |
| C33 | C32 | H54 | 109.0° | 109.5° |
| C33 | C32 | H55 | 108.9° | 109.5° |
| C32 | C33 | H56 | 109.5° | 109.5° |
| C32 | C33 | H57 | 109.5° | 109.5° |
| C32 | C31 | C30 | 110.1° | 109.5° |
| C32 | C31 | H52 | 109.3° | 109.5° |
| C32 | C31 | H53 | 109.3° | 109.4° |
| C31 | C32 | H54 | 108.9° | 109.5° |
| C31 | C32 | H55 | 109.0° | 109.5° |
| C19 | C18 | C17 | 109.9° | 109.5° |
| C19 | C18 | H29 | 109.4° | 109.5° |
| C19 | C18 | H30 | 109.3° | 109.6° |
| C18 | C19 | H31 | 109.6° | 109.5° |
| C40 | C39 | C38 | 111.9° | 109.5° |
| C40 | C39 | H68 | 108.8° | 109.5° |
| C40 | C39 | H69 | 108.9° | 109.4° |
| C39 | C40 | H70 | 109.3° | 109.5° |
| C39 | C40 | H71 | 109.3° | 109.5° |
| C39 | C38 | C37 | 109.6° | 109.5° |
| C39 | C38 | H66 | 109.5° | 109.5° |
| C39 | C38 | H67 | 109.5° | 109.5° |
| C38 | C39 | H68 | 108.9° | 109.5° |
| C38 | C39 | H69 | 108.9° | 109.4° |
| C36 | C37 | C38 | 109.4° | 109.5° |
| C37 | C36 | H62 | 109.3° | 109.5° |
| C37 | C36 | H63 | 109.3° | 109.5° |
| C36 | C37 | H64 | 109.5° | 109.5° |
| C36 | C37 | H65 | 109.5° | 109.5° |
| C38 | C37 | H64 | 109.5° | 109.5° |
| C38 | C37 | H65 | 109.5° | 109.5° |
| C37 | C38 | H66 | 109.4° | 109.5° |
| C37 | C38 | H67 | 109.4° | 109.5° |
| C18 | C17 | C16 | 110.3° | 109.5° |
| C18 | C17 | H27 | 109.3° | 109.4° |
| C18 | C17 | H28 | 109.3° | 109.4° |
| C17 | C18 | H29 | 109.4° | 109.4° |
| C17 | C18 | H30 | 109.4° | 109.5° |
| C31 | C30 | C29 | 110.3° | 109.5° |
| C31 | C30 | H50 | 109.3° | 109.5° |
| C31 | C30 | H51 | 109.3° | 109.4° |
| C30 | C31 | H52 | 109.3° | 109.5° |
| C30 | C31 | H53 | 109.3° | 109.5° |
| C30 | C29 | C28 | 110.2° | 109.5° |
| C30 | C29 | H48 | 109.3° | 109.5° |
| C30 | C29 | H49 | 109.3° | 109.5° |
| C29 | C30 | H50 | 109.3° | 109.5° |
| C29 | C30 | H51 | 109.2° | 109.5° |
| C17 | C16 | C15 | 109.1° | 109.4° |
| C17 | C16 | H25 | 109.6° | 109.5° |
| C17 | C16 | H26 | 109.5° | 109.4° |
| C16 | C17 | H27 | 109.3° | 109.5° |
| C16 | C17 | H28 | 109.3° | 109.4° |
| C16 | C15 | C14 | 111.6° | 109.4° |
| C16 | C15 | H23 | 108.9° | 109.5° |
| C16 | C15 | H24 | 108.9° | 109.5° |
| C15 | C16 | H25 | 109.5° | 109.5° |
| C15 | C16 | H26 | 109.6° | 109.5° |
| C29 | C28 | C27 | 112.5° | 109.5° |
| C29 | C28 | H46 | 108.7° | 109.4° |
| C29 | C28 | H47 | 108.7° | 109.5° |
| C28 | C29 | H48 | 109.3° | 109.4° |
| C28 | C29 | H49 | 109.3° | 109.5° |
| C15 | C14 | C13 | 110.3° | 109.4° |
| C15 | C14 | H21 | 109.2° | 109.5° |
| C15 | C14 | H22 | 109.2° | 109.5° |
| C14 | C15 | H23 | 108.9° | 109.5° |
| C14 | C15 | H24 | 108.9° | 109.5° |
| C28 | C27 | C26 | 107.7° | 109.5° |
| C28 | C27 | H44 | 109.9° | 109.5° |
| C28 | C27 | H45 | 109.9° | 109.5° |
| C27 | C28 | H46 | 108.7° | 109.4° |
| C27 | C28 | H47 | 108.7° | 109.5° |
| C14 | C13 | C12 | 111.4° | 109.4° |
| C14 | C13 | H19 | 109.0° | 109.5° |
| C14 | C13 | H20 | 109.0° | 109.5° |
| C13 | C14 | H21 | 109.3° | 109.5° |
| C13 | C14 | H22 | 109.3° | 109.5° |
| C27 | C26 | O9 | 120.6° | 120.0° |
| C27 | C26 | O8 | 114.0° | 120.0° |
| C26 | C27 | H44 | 109.9° | 109.4° |
| C26 | C27 | H45 | 109.9° | 109.4° |
| C13 | C12 | C11 | 110.7° | 109.4° |
| C13 | C12 | H17 | 109.2° | 109.5° |
| C13 | C12 | H18 | 109.1° | 109.4° |
| C12 | C13 | H19 | 109.0° | 109.5° |
| C12 | C13 | H20 | 109.0° | 109.4° |
| O9 | C26 | O8 | 125.3° | 120.0° |
| C26 | O8 | C8 | 111.8° | 117.0° |
| C12 | C11 | C10 | 114.1° | 109.4° |
| C12 | C11 | H15 | 108.3° | 109.5° |
| C12 | C11 | H16 | 108.3° | 109.5° |
| C11 | C12 | H17 | 109.2° | 109.5° |
| C11 | C12 | H18 | 109.2° | 109.5° |
| O8 | C8 | C9 | 112.1° | 109.5° |
| O8 | C8 | C7 | 110.4° | 109.4° |
| O8 | C8 | H12 | 107.4° | 109.5° |
| C11 | C10 | O7 | 115.2° | 120.0° |
| C11 | C10 | O10 | 120.6° | 119.9° |
| C10 | C11 | H15 | 108.3° | 109.5° |
| C10 | C11 | H16 | 108.3° | 109.5° |
| C9 | C8 | C7 | 113.5° | 109.4° |
| C8 | C9 | O7 | 105.9° | 109.5° |
| C9 | C8 | H12 | 106.6° | 109.5° |
| C8 | C9 | H13 | 110.4° | 109.5° |
| C8 | C9 | H14 | 110.4° | 109.4° |
| C8 | C7 | O1 | 110.4° | 109.5° |
| C8 | C7 | H10 | 109.2° | 109.4° |
| C8 | C7 | H11 | 109.2° | 109.4° |
| C7 | C8 | H12 | 106.4° | 109.5° |
| C9 | O7 | C10 | 115.5° | 117.0° |
| O7 | C9 | H13 | 110.4° | 109.5° |
| O7 | C9 | H14 | 110.3° | 109.5° |
| O7 | C10 | O10 | 124.1° | 120.1° |
| C7 | O1 | C1 | 109.6° | 114.0° |
| O1 | C7 | H10 | 109.3° | 109.5° |
| O1 | C7 | H11 | 109.2° | 109.5° |
| O1 | C1 | C2 | 109.5° | 109.5° |
| O1 | C1 | O5 | 109.5° | 109.5° |
| O1 | C1 | H7 | 109.9° | 109.5° |
| O2 | C2 | C1 | 109.5° | 109.6° |
| O2 | C2 | C3 | 108.7° | 109.5° |
| O2 | C2 | H5 | 110.2° | 109.5° |
| C2 | O2 | H6 | 109.5° | 114.0° |
| C2 | C1 | O5 | 109.5° | 109.4° |
| C1 | C2 | C3 | 109.5° | 109.2° |
| C1 | C2 | H5 | 109.3° | 109.6° |
| C2 | C1 | H7 | 108.6° | 109.5° |
| C1 | O5 | C5 | 109.5° | 114.2° |
| O5 | C1 | H7 | 109.8° | 109.5° |
| C2 | C3 | O3 | 109.3° | 109.6° |
| C2 | C3 | C4 | 106.9° | 109.0° |
| C2 | C3 | H3 | 109.7° | 109.6° |
| C3 | C2 | H5 | 109.6° | 109.5° |
| O3 | C3 | C4 | 111.1° | 109.5° |
| O3 | C3 | H3 | 110.3° | 109.5° |
| C3 | O3 | H4 | 109.5° | 114.1° |
| C3 | C4 | C5 | 109.6° | 109.2° |
| C3 | C4 | O4 | 108.5° | 109.6° |
| C3 | C4 | H2 | 110.2° | 109.5° |
| C4 | C3 | H3 | 109.5° | 109.5° |
| O5 | C5 | C4 | 110.3° | 109.4° |
| O5 | C5 | C6 | 109.3° | 109.5° |
| O5 | C5 | H8 | 110.2° | 109.5° |
| C4 | C5 | C6 | 109.3° | 109.6° |
| C5 | C4 | O4 | 107.2° | 109.5° |
| C5 | C4 | H2 | 109.9° | 109.5° |
| C4 | C5 | H8 | 108.7° | 109.4° |
| C5 | C6 | O6A | 117.7° | 120.0° |
| C5 | C6 | O6B | 118.9° | 120.0° |
| C6 | C5 | H8 | 108.9° | 109.5° |
| C4 | O4 | H1 | 109.5° | 114.0° |
| O4 | C4 | H2 | 111.4° | 109.6° |
| O6A | C6 | O6B | 123.4° | 120.0° |
| C6 | O6B | H9 | 109.5° | 117.0° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| H23 | C15 | H24 | 109.5° | 109.5° |
| H25 | C16 | H26 | 109.5° | 109.5° |
| H27 | C17 | H28 | 109.5° | 109.5° |
| H29 | C18 | H30 | 109.4° | 109.4° |
| H32 | C20 | H33 | 109.5° | 109.4° |
| H34 | C21 | H35 | 109.4° | 109.5° |
| H36 | C22 | H37 | 109.5° | 109.5° |
| H38 | C23 | H39 | 109.5° | 109.4° |
| H40 | C24 | H41 | 109.5° | 109.5° |
| H42 | C25 | H43 | 109.5° | 109.5° |
| H44 | C27 | H45 | 109.5° | 109.5° |
| H46 | C28 | H47 | 109.4° | 109.5° |
| H48 | C29 | H49 | 109.5° | 109.4° |
| H50 | C30 | H51 | 109.5° | 109.5° |
| H52 | C31 | H53 | 109.5° | 109.5° |
| H54 | C32 | H55 | 109.5° | 109.5° |
| H56 | C33 | H57 | 109.5° | 109.4° |
| H58 | C34 | H59 | 109.5° | 109.5° |
| H60 | C35 | H61 | 109.5° | 109.4° |
| H62 | C36 | H63 | 109.5° | 109.5° |
| H64 | C37 | H65 | 109.5° | 109.4° |
| H66 | C38 | H67 | 109.5° | 109.5° |
| H68 | C39 | H69 | 109.5° | 109.5° |
| H70 | C40 | H71 | 109.5° | 109.5° |
| H72 | C41 | H73 | 109.4° | 109.4° |
| H74 | C42 | H75 | 109.5° | 109.5° |
| H74 | C42 | H76 | 109.5° | 109.5° |
| H75 | C42 | H76 | 109.4° | 109.4° |
| H77 | C43 | H78 | 109.4° | 109.5° |
| H77 | C43 | H79 | 109.5° | 109.5° |
| H78 | C43 | H79 | 109.5° | 109.5° |
| H80 | C44 | H81 | 109.5° | 109.4° |
| H82 | C45 | H83 | 109.4° | 109.5° |
| H82 | C45 | H84 | 109.5° | 109.4° |
| H83 | C45 | H84 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H36 | 119.7° | 120.0° |
| C23 | C22 | C21 | H37 | 119.7° | 119.9° |
| C22 | C23 | C24 | H38 | 120.0° | 120.1° |
| C22 | C23 | C24 | H39 | 120.0° | 120.0° |
| C22 | C23 | C24 | C25 | 129.4° | 180.0° |
| C23 | C22 | C21 | C20 | 122.2° | 180.0° |
| C23 | C22 | C21 | H34 | 117.8° | 60.0° |
| C23 | C22 | C21 | H35 | 2.2° | 60.0° |
| C23 | C22 | H36 | H37 | 120.8° | 119.9° |
| C22 | C23 | H38 | H39 | 120.0° | 120.0° |
| C22 | C23 | C24 | H40 | 110.5° | 60.0° |
| C22 | C23 | C24 | H41 | 9.3° | 60.0° |
| C21 | C22 | C23 | C24 | 174.7° | 180.0° |
| C22 | C21 | C20 | H34 | 120.0° | 119.9° |
| C22 | C21 | C20 | H35 | 120.0° | 120.0° |
| C22 | C21 | C20 | C19 | 170.2° | 180.0° |
| C22 | C21 | C20 | H32 | 49.9° | 60.0° |
| C22 | C21 | C20 | H33 | 69.4° | 60.0° |
| C22 | C21 | H34 | H35 | 120.1° | 120.1° |
| C21 | C22 | H36 | H37 | 120.8° | 120.1° |
| C21 | C22 | C23 | H38 | 54.7° | 60.0° |
| C21 | C22 | C23 | H39 | 65.3° | 60.0° |
| C23 | C24 | C25 | H40 | 120.1° | 120.0° |
| C23 | C24 | C25 | H41 | 120.1° | 120.0° |
| C23 | C24 | C25 | C44 | 107.4° | 180.0° |
| C24 | C23 | C22 | H36 | 55.0° | 60.0° |
| C24 | C23 | C22 | H37 | 65.5° | 60.0° |
| C24 | C23 | H38 | H39 | 120.0° | 119.9° |
| C23 | C24 | H40 | H41 | 119.7° | 120.0° |
| C23 | C24 | C25 | H42 | 132.6° | 60.0° |
| C23 | C24 | C25 | H43 | 12.7° | 60.0° |
| C24 | C25 | C44 | C43 | 102.9° | 180.0° |
| C24 | C25 | C44 | H42 | 120.1° | 120.0° |
| C24 | C25 | C44 | H43 | 120.1° | 120.0° |
| C25 | C24 | C23 | H38 | 9.4° | 60.0° |
| C25 | C24 | C23 | H39 | 110.6° | 60.0° |
| C25 | C24 | H40 | H41 | 119.7° | 120.0° |
| C24 | C25 | H42 | H43 | 119.9° | 119.9° |
| C24 | C25 | C44 | H80 | 17.3° | 60.0° |
| C24 | C25 | C44 | H81 | 136.9° | 60.0° |
| C43 | C44 | C25 | H80 | 120.2° | 120.0° |
| C43 | C44 | C25 | H81 | 120.2° | 120.0° |
| C43 | C44 | C25 | H42 | 17.2° | 60.0° |
| C43 | C44 | C25 | H43 | 137.0° | 60.0° |
| C44 | C43 | H77 | H78 | 120.0° | 120.0° |
| C44 | C43 | H77 | H79 | 120.0° | 120.0° |
| C44 | C43 | H78 | H79 | 120.0° | 120.0° |
| C43 | C44 | H80 | H81 | 119.3° | 120.0° |
| C21 | C20 | C19 | H32 | 120.3° | 120.0° |
| C21 | C20 | C19 | H33 | 120.3° | 120.0° |
| C21 | C20 | C19 | C45 | 75.4° | 65.0° |
| C21 | C20 | C19 | C18 | 166.2° | 175.0° |
| C21 | C20 | C19 | H31 | 45.4° | 55.0° |
| C21 | C20 | H32 | H33 | 119.0° | 120.0° |
| C20 | C21 | H34 | H35 | 120.1° | 120.0° |
| C20 | C21 | C22 | H36 | 2.5° | 60.0° |
| C20 | C21 | C22 | H37 | 118.1° | 60.0° |
| C44 | C25 | C24 | H40 | 12.7° | 60.0° |
| C44 | C25 | C24 | H41 | 132.5° | 60.0° |
| C44 | C25 | H42 | H43 | 119.8° | 120.0° |
| C25 | C44 | C43 | H77 | 180.0° | 180.0° |
| C25 | C44 | C43 | H78 | 60.0° | 60.0° |
| C25 | C44 | C43 | H79 | 60.0° | 60.0° |
| C25 | C44 | H80 | H81 | 119.3° | 119.9° |
| C20 | C19 | C45 | C18 | 120.5° | 120.0° |
| C20 | C19 | C45 | H31 | 120.8° | 119.9° |
| C20 | C19 | C18 | H31 | 120.7° | 119.9° |
| C20 | C19 | C18 | C17 | 126.7° | 175.0° |
| C20 | C19 | C18 | H29 | 6.6° | 65.0° |
| C20 | C19 | C18 | H30 | 113.2° | 55.0° |
| C19 | C20 | H32 | H33 | 119.0° | 119.9° |
| C19 | C20 | C21 | H34 | 69.8° | 60.0° |
| C19 | C20 | C21 | H35 | 50.3° | 60.0° |
| C20 | C19 | C45 | H82 | 180.0° | 59.9° |
| C20 | C19 | C45 | H83 | 60.0° | 180.0° |
| C20 | C19 | C45 | H84 | 60.0° | 60.0° |
| C35 | C34 | C33 | H58 | 120.2° | 120.0° |
| C35 | C34 | C33 | H59 | 120.2° | 120.0° |
| C34 | C35 | C36 | H60 | 119.9° | 120.0° |
| C34 | C35 | C36 | H61 | 119.9° | 120.0° |
| C35 | C34 | C33 | C32 | 146.3° | 180.0° |
| C34 | C35 | C36 | C37 | 127.5° | 180.0° |
| C35 | C34 | C33 | H56 | 26.4° | 60.0° |
| C35 | C34 | C33 | H57 | 93.7° | 60.0° |
| C35 | C34 | H58 | H59 | 119.4° | 120.0° |
| C34 | C35 | H60 | H61 | 120.2° | 120.0° |
| C34 | C35 | C36 | H62 | 112.4° | 60.0° |
| C34 | C35 | C36 | H63 | 7.4° | 60.0° |
| C33 | C34 | C35 | C36 | 104.4° | 180.0° |
| C34 | C33 | C32 | H56 | 120.0° | 120.0° |
| C34 | C33 | C32 | H57 | 120.0° | 120.0° |
| C34 | C33 | C32 | C31 | 169.2° | 180.0° |
| C34 | C33 | C32 | H54 | 48.9° | 60.0° |
| C34 | C33 | C32 | H55 | 70.5° | 60.0° |
| C34 | C33 | H56 | H57 | 120.0° | 120.0° |
| C33 | C34 | H58 | H59 | 119.5° | 120.0° |
| C33 | C34 | C35 | H60 | 135.7° | 60.0° |
| C33 | C34 | C35 | H61 | 15.6° | 60.0° |
| C45 | C19 | C18 | H31 | 118.7° | 120.0° |
| C45 | C19 | C18 | C17 | 112.7° | 65.0° |
| C45 | C19 | C18 | H29 | 127.2° | 55.0° |
| C45 | C19 | C18 | H30 | 7.4° | 175.0° |
| C45 | C19 | C20 | H32 | 164.3° | 55.1° |
| C45 | C19 | C20 | H33 | 44.9° | 175.0° |
| C19 | C45 | H82 | H83 | 120.0° | 120.0° |
| C19 | C45 | H82 | H84 | 120.0° | 119.9° |
| C19 | C45 | H83 | H84 | 120.0° | 120.0° |
| C42 | C41 | C40 | H72 | 120.3° | 120.0° |
| C42 | C41 | C40 | H73 | 120.3° | 120.0° |
| C42 | C41 | C40 | C39 | 92.6° | 180.0° |
| C42 | C41 | C40 | H70 | 27.5° | 60.0° |
| C42 | C41 | C40 | H71 | 147.3° | 60.0° |
| C42 | C41 | H72 | H73 | 119.1° | 120.0° |
| C41 | C42 | H74 | H75 | 120.0° | 120.0° |
| C41 | C42 | H74 | H76 | 120.0° | 120.0° |
| C41 | C42 | H75 | H76 | 120.0° | 120.0° |
| C41 | C40 | C39 | H70 | 120.1° | 120.0° |
| C41 | C40 | C39 | H71 | 120.1° | 120.0° |
| C41 | C40 | C39 | C38 | 159.8° | 179.9° |
| C41 | C40 | C39 | H68 | 79.8° | 60.0° |
| C41 | C40 | C39 | H69 | 39.4° | 60.0° |
| C41 | C40 | H70 | H71 | 119.7° | 120.0° |
| C40 | C41 | H72 | H73 | 119.0° | 120.0° |
| C40 | C41 | C42 | H74 | 180.0° | 60.1° |
| C40 | C41 | C42 | H75 | 60.0° | 60.0° |
| C40 | C41 | C42 | H76 | 60.0° | 180.0° |
| C35 | C36 | C37 | H62 | 120.1° | 119.9° |
| C35 | C36 | C37 | H63 | 120.1° | 120.0° |
| C35 | C36 | C37 | C38 | 174.4° | 180.0° |
| C36 | C35 | C34 | H58 | 135.4° | 60.0° |
| C36 | C35 | C34 | H59 | 15.8° | 60.0° |
| C36 | C35 | H60 | H61 | 120.3° | 120.0° |
| C35 | C36 | H62 | H63 | 119.7° | 120.0° |
| C35 | C36 | C37 | H64 | 54.4° | 60.0° |
| C35 | C36 | C37 | H65 | 65.7° | 60.0° |
| C33 | C32 | C31 | H54 | 120.3° | 120.0° |
| C33 | C32 | C31 | H55 | 120.3° | 120.0° |
| C33 | C32 | C31 | C30 | 129.6° | 180.0° |
| C33 | C32 | C31 | H52 | 9.5° | 60.0° |
| C33 | C32 | C31 | H53 | 110.3° | 60.0° |
| C33 | C32 | H54 | H55 | 119.0° | 120.0° |
| C32 | C33 | H56 | H57 | 120.0° | 120.0° |
| C32 | C33 | C34 | H58 | 93.5° | 60.0° |
| C32 | C33 | C34 | H59 | 26.2° | 60.0° |
| C32 | C31 | C30 | H52 | 120.1° | 120.1° |
| C32 | C31 | C30 | H53 | 120.1° | 120.0° |
| C32 | C31 | C30 | C29 | 144.6° | 180.0° |
| C32 | C31 | C30 | H50 | 95.3° | 60.0° |
| C32 | C31 | C30 | H51 | 24.4° | 60.1° |
| C32 | C31 | H52 | H53 | 119.8° | 120.0° |
| C31 | C32 | H54 | H55 | 119.1° | 120.0° |
| C31 | C32 | C33 | H56 | 70.8° | 60.0° |
| C31 | C32 | C33 | H57 | 49.2° | 60.0° |
| C19 | C18 | C17 | H29 | 120.1° | 120.0° |
| C19 | C18 | C17 | H30 | 120.1° | 120.1° |
| C19 | C18 | C17 | C16 | 102.4° | 179.9° |
| C19 | C18 | C17 | H27 | 17.7° | 60.0° |
| C19 | C18 | C17 | H28 | 137.4° | 60.0° |
| C19 | C18 | H29 | H30 | 119.8° | 120.1° |
| C18 | C19 | C20 | H32 | 45.9° | 65.0° |
| C18 | C19 | C20 | H33 | 73.5° | 54.9° |
| C18 | C19 | C45 | H82 | 59.5° | 180.0° |
| C18 | C19 | C45 | H83 | 60.5° | 60.0° |
| C18 | C19 | C45 | H84 | 179.5° | 60.0° |
| C40 | C39 | C38 | H68 | 120.4° | 120.0° |
| C40 | C39 | C38 | H69 | 120.4° | 119.9° |
| C40 | C39 | C38 | C37 | 153.6° | 180.0° |
| C40 | C39 | C38 | H66 | 33.6° | 60.0° |
| C40 | C39 | C38 | H67 | 86.4° | 60.0° |
| C40 | C39 | H68 | H69 | 118.9° | 120.0° |
| C39 | C40 | H70 | H71 | 119.7° | 120.0° |
| C39 | C40 | C41 | H72 | 147.0° | 60.0° |
| C39 | C40 | C41 | H73 | 27.7° | 60.0° |
| C39 | C38 | C37 | C36 | 104.9° | 180.0° |
| C39 | C38 | C37 | H66 | 120.0° | 120.1° |
| C39 | C38 | C37 | H67 | 120.0° | 120.0° |
| C39 | C38 | C37 | H64 | 15.1° | 60.0° |
| C39 | C38 | C37 | H65 | 135.1° | 60.0° |
| C39 | C38 | H66 | H67 | 120.0° | 120.0° |
| C38 | C39 | H68 | H69 | 118.9° | 120.0° |
| C38 | C39 | C40 | H70 | 39.7° | 59.9° |
| C38 | C39 | C40 | H71 | 80.1° | 60.0° |
| C36 | C37 | C38 | H64 | 120.0° | 120.0° |
| C36 | C37 | C38 | H65 | 120.0° | 120.0° |
| C37 | C36 | C35 | H60 | 7.6° | 60.0° |
| C37 | C36 | C35 | H61 | 112.6° | 60.0° |
| C37 | C36 | H62 | H63 | 119.7° | 120.0° |
| C36 | C37 | H64 | H65 | 120.1° | 120.0° |
| C36 | C37 | C38 | H66 | 15.2° | 60.0° |
| C36 | C37 | C38 | H67 | 135.1° | 60.0° |
| C38 | C37 | C36 | H62 | 65.5° | 60.0° |
| C38 | C37 | C36 | H63 | 54.3° | 60.0° |
| C38 | C37 | H64 | H65 | 120.0° | 120.0° |
| C37 | C38 | H66 | H67 | 119.9° | 120.0° |
| C37 | C38 | C39 | H68 | 86.0° | 60.0° |
| C37 | C38 | C39 | H69 | 33.3° | 60.1° |
| C18 | C17 | C16 | H27 | 120.1° | 120.0° |
| C18 | C17 | C16 | H28 | 120.1° | 120.0° |
| C18 | C17 | C16 | C15 | 125.8° | 180.0° |
| C18 | C17 | C16 | H25 | 5.8° | 60.0° |
| C18 | C17 | C16 | H26 | 114.3° | 60.0° |
| C18 | C17 | H27 | H28 | 119.6° | 120.0° |
| C17 | C18 | H29 | H30 | 119.8° | 119.9° |
| C17 | C18 | C19 | H31 | 6.0° | 55.1° |
| C31 | C30 | C29 | H50 | 120.1° | 120.0° |
| C31 | C30 | C29 | H51 | 120.1° | 119.9° |
| C31 | C30 | C29 | C28 | 108.5° | 179.9° |
| C31 | C30 | C29 | H48 | 11.6° | 60.0° |
| C31 | C30 | C29 | H49 | 131.3° | 60.0° |
| C31 | C30 | H50 | H51 | 119.6° | 120.0° |
| C30 | C31 | H52 | H53 | 119.7° | 120.0° |
| C30 | C31 | C32 | H54 | 110.1° | 59.9° |
| C30 | C31 | C32 | H55 | 9.3° | 60.0° |
| C30 | C29 | C28 | H48 | 120.1° | 120.0° |
| C30 | C29 | C28 | H49 | 120.1° | 120.0° |
| C30 | C29 | C28 | C27 | 157.2° | 180.0° |
| C30 | C29 | C28 | H46 | 36.7° | 60.0° |
| C30 | C29 | C28 | H47 | 82.4° | 60.0° |
| C30 | C29 | H48 | H49 | 119.7° | 120.0° |
| C29 | C30 | H50 | H51 | 119.6° | 120.0° |
| C29 | C30 | C31 | H52 | 24.5° | 59.9° |
| C29 | C30 | C31 | H53 | 95.4° | 60.0° |
| C17 | C16 | C15 | H25 | 120.0° | 120.0° |
| C17 | C16 | C15 | H26 | 119.9° | 119.9° |
| C17 | C16 | C15 | C14 | 105.2° | 180.0° |
| C17 | C16 | C15 | H23 | 15.1° | 60.0° |
| C17 | C16 | C15 | H24 | 134.5° | 60.1° |
| C17 | C16 | H25 | H26 | 120.2° | 120.0° |
| C16 | C17 | H27 | H28 | 119.6° | 120.0° |
| C16 | C17 | C18 | H29 | 137.5° | 60.0° |
| C16 | C17 | C18 | H30 | 17.7° | 60.0° |
| C16 | C15 | C14 | H23 | 120.3° | 120.0° |
| C16 | C15 | C14 | H24 | 120.3° | 120.0° |
| C16 | C15 | C14 | C13 | 129.0° | 180.0° |
| C16 | C15 | C14 | H21 | 110.9° | 60.0° |
| C16 | C15 | C14 | H22 | 8.8° | 60.0° |
| C16 | C15 | H23 | H24 | 119.0° | 120.0° |
| C15 | C16 | H25 | H26 | 120.1° | 120.0° |
| C15 | C16 | C17 | H27 | 114.1° | 60.0° |
| C15 | C16 | C17 | H28 | 5.6° | 60.1° |
| C29 | C28 | C27 | H46 | 120.5° | 119.9° |
| C29 | C28 | C27 | H47 | 120.5° | 120.0° |
| C29 | C28 | C27 | C26 | 149.1° | 180.0° |
| C29 | C28 | C27 | H44 | 91.2° | 60.1° |
| C29 | C28 | C27 | H45 | 29.4° | 60.0° |
| C29 | C28 | H46 | H47 | 118.6° | 120.0° |
| C28 | C29 | H48 | H49 | 119.6° | 120.0° |
| C28 | C29 | C30 | H50 | 131.3° | 60.0° |
| C28 | C29 | C30 | H51 | 11.6° | 60.0° |
| C15 | C14 | C13 | H21 | 120.1° | 120.0° |
| C15 | C14 | C13 | H22 | 120.1° | 120.0° |
| C15 | C14 | C13 | C12 | 116.0° | 180.0° |
| C15 | C14 | C13 | H19 | 123.7° | 60.0° |
| C15 | C14 | C13 | H20 | 4.3° | 60.0° |
| C15 | C14 | H21 | H22 | 119.6° | 120.0° |
| C14 | C15 | H23 | H24 | 119.0° | 120.0° |
| C14 | C15 | C16 | H25 | 134.8° | 60.0° |
| C14 | C15 | C16 | H26 | 14.7° | 60.0° |
| C28 | C27 | C26 | H44 | 119.7° | 120.0° |
| C28 | C27 | C26 | H45 | 119.7° | 120.0° |
| C28 | C27 | C26 | O9 | 8.9° | 0.0° |
| C28 | C27 | C26 | O8 | 168.5° | 180.0° |
| C28 | C27 | H44 | H45 | 120.8° | 120.1° |
| C27 | C28 | H46 | H47 | 118.6° | 120.0° |
| C27 | C28 | C29 | H48 | 82.7° | 60.0° |
| C27 | C28 | C29 | H49 | 37.0° | 60.0° |
| C14 | C13 | C12 | H19 | 120.3° | 120.0° |
| C14 | C13 | C12 | H20 | 120.3° | 120.0° |
| C14 | C13 | C12 | C11 | 80.0° | 180.0° |
| C14 | C13 | C12 | H17 | 159.8° | 60.0° |
| C14 | C13 | C12 | H18 | 40.2° | 60.0° |
| C14 | C13 | H19 | H20 | 119.1° | 120.0° |
| C13 | C14 | H21 | H22 | 119.6° | 120.0° |
| C13 | C14 | C15 | H23 | 8.7° | 60.0° |
| C13 | C14 | C15 | H24 | 110.7° | 60.0° |
| C27 | C26 | O9 | O8 | 177.1° | 180.0° |
| C27 | C26 | O8 | C8 | 108.8° | 180.0° |
| C26 | C27 | H44 | H45 | 120.8° | 120.0° |
| C26 | C27 | C28 | H46 | 28.6° | 60.0° |
| C26 | C27 | C28 | H47 | 90.4° | 60.0° |
| C13 | C12 | C11 | H17 | 120.2° | 120.0° |
| C13 | C12 | C11 | H18 | 120.2° | 119.9° |
| C13 | C12 | C11 | C10 | 177.2° | 180.0° |
| C13 | C12 | C11 | H15 | 56.5° | 60.0° |
| C13 | C12 | C11 | H16 | 62.2° | 60.1° |
| C13 | C12 | H17 | H18 | 119.4° | 120.0° |
| C12 | C13 | H19 | H20 | 119.1° | 120.0° |
| C12 | C13 | C14 | H21 | 4.1° | 60.0° |
| C12 | C13 | C14 | H22 | 123.9° | 60.0° |
| O9 | C26 | O8 | C8 | 73.9° | 0.1° |
| O9 | C26 | C27 | H44 | 128.6° | 120.0° |
| O9 | C26 | C27 | H45 | 110.8° | 120.0° |
| C26 | O8 | C8 | C9 | 139.8° | 150.0° |
| C26 | O8 | C8 | C7 | 92.6° | 90.1° |
| C26 | O8 | C8 | H12 | 23.0° | 29.9° |
| O8 | C26 | C27 | H44 | 48.8° | 60.0° |
| O8 | C26 | C27 | H45 | 71.8° | 60.0° |
| C12 | C11 | C10 | H15 | 120.7° | 120.0° |
| C12 | C11 | C10 | H16 | 120.7° | 120.0° |
| C12 | C11 | C10 | O7 | 36.7° | 180.0° |
| C12 | C11 | C10 | O10 | 140.6° | 0.0° |
| C12 | C11 | H15 | H16 | 117.9° | 120.0° |
| C11 | C12 | H17 | H18 | 119.5° | 120.0° |
| C11 | C12 | C13 | H19 | 40.3° | 60.0° |
| C11 | C12 | C13 | H20 | 159.8° | 60.1° |
| O8 | C8 | C9 | C7 | 125.9° | 119.9° |
| O8 | C8 | C9 | H12 | 117.3° | 120.1° |
| O8 | C8 | C7 | H12 | 116.2° | 120.0° |
| O8 | C8 | C9 | O7 | 137.0° | 64.9° |
| O8 | C8 | C7 | O1 | 47.6° | 65.0° |
| O8 | C8 | C7 | H10 | 167.7° | 55.0° |
| O8 | C8 | C7 | H11 | 72.6° | 175.0° |
| O8 | C8 | C9 | H13 | 103.5° | 175.0° |
| O8 | C8 | C9 | H14 | 17.6° | 55.0° |
| C11 | C10 | O7 | C9 | 114.2° | 180.0° |
| C11 | C10 | O7 | O10 | 177.1° | 180.0° |
| C10 | C11 | H15 | H16 | 117.9° | 120.0° |
| C10 | C11 | C12 | H17 | 62.6° | 60.0° |
| C10 | C11 | C12 | H18 | 57.0° | 60.0° |
| C9 | C8 | C7 | H12 | 116.9° | 120.0° |
| C8 | C9 | O7 | H13 | 119.5° | 120.1° |
| C8 | C9 | O7 | H14 | 119.4° | 119.9° |
| C8 | C9 | O7 | C10 | 179.0° | 180.0° |
| C9 | C8 | C7 | O1 | 79.3° | 55.0° |
| C9 | C8 | C7 | H10 | 40.9° | 175.0° |
| C9 | C8 | C7 | H11 | 160.6° | 65.0° |
| C8 | C9 | H13 | H14 | 121.7° | 120.0° |
| C7 | C8 | C9 | O7 | 97.0° | 55.0° |
| C8 | C7 | O1 | H10 | 120.2° | 120.0° |
| C8 | C7 | O1 | H11 | 120.1° | 120.0° |
| C8 | C7 | O1 | C1 | 106.5° | 180.0° |
| C8 | C7 | H10 | H11 | 119.6° | 119.9° |
| C7 | C8 | C9 | H13 | 22.4° | 65.0° |
| C7 | C8 | C9 | H14 | 143.6° | 175.0° |
| C9 | O7 | C10 | O10 | 68.7° | 0.0° |
| O7 | C9 | C8 | H12 | 19.7° | 175.0° |
| O7 | C9 | H13 | H14 | 121.6° | 120.0° |
| C10 | O7 | C9 | H13 | 59.6° | 60.0° |
| C10 | O7 | C9 | H14 | 61.6° | 60.0° |
| O7 | C10 | C11 | H15 | 84.0° | 60.0° |
| O7 | C10 | C11 | H16 | 157.3° | 60.0° |
| O10 | C10 | C11 | H15 | 98.8° | 120.0° |
| O10 | C10 | C11 | H16 | 19.9° | 120.0° |
| C7 | O1 | C1 | C2 | 145.2° | 170.0° |
| C7 | O1 | C1 | O5 | 94.7° | 70.1° |
| C7 | O1 | C1 | H7 | 26.0° | 49.9° |
| O1 | C7 | H10 | H11 | 119.6° | 120.1° |
| O1 | C7 | C8 | H12 | 163.8° | 175.0° |
| O1 | C1 | C2 | O2 | 62.3° | 57.6° |
| O1 | C1 | C2 | O5 | 120.1° | 120.0° |
| O1 | C1 | C2 | H7 | 120.0° | 120.1° |
| O1 | C1 | O5 | H7 | 120.7° | 120.0° |
| O1 | C1 | C2 | C3 | 56.8° | 62.3° |
| O1 | C1 | O5 | C5 | 56.7° | 58.8° |
| O1 | C1 | C2 | H5 | 176.8° | 177.7° |
| C1 | O1 | C7 | H10 | 13.7° | 60.0° |
| C1 | O1 | C7 | H11 | 133.4° | 60.0° |
| O2 | C2 | C1 | C3 | 119.1° | 119.9° |
| O2 | C2 | C1 | H5 | 120.9° | 120.1° |
| O2 | C2 | C1 | O5 | 177.6° | 177.5° |
| O2 | C2 | C3 | H5 | 120.5° | 120.1° |
| O2 | C2 | C3 | O3 | 60.9° | 63.2° |
| O2 | C2 | C3 | C4 | 178.8° | 177.0° |
| O2 | C2 | C3 | H3 | 60.2° | 57.1° |
| O2 | C2 | C1 | H7 | 57.7° | 62.5° |
| C2 | C1 | O5 | H7 | 119.2° | 120.0° |
| C1 | C2 | C3 | H5 | 119.9° | 120.0° |
| C1 | C2 | C3 | O3 | 179.5° | 176.9° |
| C1 | C2 | C3 | C4 | 59.2° | 57.0° |
| C2 | C1 | O5 | C5 | 63.4° | 61.1° |
| C1 | C2 | C3 | H3 | 59.4° | 62.9° |
| C1 | C2 | O2 | H6 | 180.0° | 60.3° |
| O5 | C1 | C2 | C3 | 63.3° | 57.6° |
| C1 | O5 | C5 | C4 | 61.4° | 61.1° |
| C1 | O5 | C5 | C6 | 178.3° | 178.9° |
| O5 | C1 | C2 | H5 | 56.7° | 62.3° |
| C1 | O5 | C5 | H8 | 58.7° | 58.8° |
| C2 | C3 | O3 | C4 | 117.7° | 119.6° |
| C2 | C3 | O3 | H3 | 120.7° | 120.3° |
| C2 | C3 | C4 | H3 | 118.8° | 120.0° |
| C2 | C3 | C4 | C5 | 56.9° | 56.9° |
| C2 | C3 | C4 | O4 | 173.6° | 176.8° |
| C2 | C3 | C4 | H2 | 64.2° | 62.9° |
| C2 | C3 | O3 | H4 | 180.0° | 179.6° |
| C3 | C2 | O2 | H6 | 60.4° | 180.0° |
| C3 | C2 | C1 | H7 | 176.8° | 177.6° |
| O3 | C3 | C4 | H3 | 122.1° | 120.1° |
| O3 | C3 | C4 | C5 | 176.0° | 176.8° |
| O3 | C3 | C4 | O4 | 67.2° | 63.2° |
| O3 | C3 | C4 | H2 | 54.9° | 57.0° |
| O3 | C3 | C2 | H5 | 59.6° | 56.9° |
| C3 | C4 | C5 | O5 | 58.9° | 57.5° |
| C3 | C4 | C5 | O4 | 117.6° | 120.0° |
| C3 | C4 | C5 | H2 | 121.2° | 119.9° |
| C3 | C4 | C5 | C6 | 179.2° | 177.5° |
| C3 | C4 | O4 | H2 | 121.4° | 120.2° |
| C3 | C4 | O4 | H1 | 146.6° | 179.9° |
| C4 | C3 | O3 | H4 | 62.3° | 60.0° |
| C4 | C3 | C2 | H5 | 60.7° | 63.0° |
| C3 | C4 | C5 | H8 | 62.0° | 62.4° |
| O5 | C5 | C4 | C6 | 120.3° | 120.0° |
| O5 | C5 | C4 | H8 | 121.0° | 119.9° |
| O5 | C5 | C6 | H8 | 120.5° | 120.1° |
| O5 | C5 | C4 | O4 | 176.5° | 177.4° |
| O5 | C5 | C6 | O6A | 160.2° | 5.0° |
| O5 | C5 | C6 | O6B | 21.7° | 175.0° |
| O5 | C5 | C4 | H2 | 62.3° | 62.4° |
| C5 | O5 | C1 | H7 | 177.4° | 178.8° |
| C4 | C5 | C6 | H8 | 118.7° | 120.0° |
| C5 | C4 | O4 | H2 | 120.2° | 120.1° |
| C4 | C5 | C6 | O6A | 78.9° | 115.0° |
| C4 | C5 | C6 | O6B | 99.1° | 65.0° |
| C5 | C4 | O4 | H1 | 28.3° | 60.1° |
| C5 | C4 | C3 | H3 | 61.9° | 63.0° |
| C6 | C5 | C4 | O4 | 63.2° | 62.5° |
| C5 | C6 | O6A | O6B | 177.9° | 180.0° |
| C6 | C5 | C4 | H2 | 58.0° | 57.6° |
| C5 | C6 | O6B | H9 | 177.9° | 180.0° |
| O4 | C4 | C3 | H3 | 54.8° | 56.9° |
| O4 | C4 | C5 | H8 | 55.6° | 57.5° |
| O6A | C6 | C5 | H8 | 39.8° | 125.1° |
| O6A | C6 | O6B | H9 | 0.0° | 0.1° |
| O6B | C6 | C5 | H8 | 142.2° | 55.0° |
| H1 | O4 | C4 | H2 | 91.9° | 59.9° |
| H2 | C4 | C3 | H3 | 177.0° | 177.1° |
| H2 | C4 | C5 | H8 | 176.7° | 177.7° |
| H3 | C3 | O3 | H4 | 59.3° | 60.1° |
| H3 | C3 | C2 | H5 | 179.3° | 177.1° |
| H5 | C2 | O2 | H6 | 59.7° | 59.9° |
| H5 | C2 | C1 | H7 | 63.2° | 57.7° |
| H10 | C7 | C8 | H12 | 76.0° | 65.0° |
| H11 | C7 | C8 | H12 | 43.7° | 55.0° |
| H12 | C8 | C9 | H13 | 139.2° | 54.9° |
| H12 | C8 | C9 | H14 | 99.7° | 65.0° |
| H15 | C11 | C12 | H17 | 176.7° | 180.0° |
| H15 | C11 | C12 | H18 | 63.7° | 59.9° |
| H16 | C11 | C12 | H17 | 58.1° | 59.9° |
| H16 | C11 | C12 | H18 | 177.7° | 180.0° |
| H17 | C12 | C13 | H19 | 79.9° | 180.0° |
| H17 | C12 | C13 | H20 | 39.6° | 59.9° |
| H18 | C12 | C13 | H19 | 160.5° | 60.0° |
| H18 | C12 | C13 | H20 | 80.0° | 180.0° |
| H19 | C13 | C14 | H21 | 116.2° | 180.0° |
| H19 | C13 | C14 | H22 | 3.6° | 60.0° |
| H20 | C13 | C14 | H21 | 124.4° | 59.9° |
| H20 | C13 | C14 | H22 | 115.9° | 180.0° |
| H21 | C14 | C15 | H23 | 128.8° | 180.0° |
| H21 | C14 | C15 | H24 | 9.4° | 60.0° |
| H22 | C14 | C15 | H23 | 111.5° | 60.0° |
| H22 | C14 | C15 | H24 | 129.2° | 180.0° |
| H23 | C15 | C16 | H25 | 104.8° | 180.0° |
| H23 | C15 | C16 | H26 | 135.1° | 59.9° |
| H24 | C15 | C16 | H25 | 14.5° | 59.9° |
| H24 | C15 | C16 | H26 | 105.6° | 180.0° |
| H25 | C16 | C17 | H27 | 125.9° | 180.0° |
| H25 | C16 | C17 | H28 | 114.3° | 59.9° |
| H26 | C16 | C17 | H27 | 5.8° | 60.0° |
| H26 | C16 | C17 | H28 | 125.6° | 180.0° |
| H27 | C17 | C18 | H29 | 102.4° | 180.0° |
| H27 | C17 | C18 | H30 | 137.8° | 60.1° |
| H28 | C17 | C18 | H29 | 17.4° | 60.0° |
| H28 | C17 | C18 | H30 | 102.5° | 179.9° |
| H29 | C18 | C19 | H31 | 114.1° | 175.0° |
| H30 | C18 | C19 | H31 | 126.1° | 65.0° |
| H31 | C19 | C20 | H32 | 74.9° | 175.0° |
| H31 | C19 | C20 | H33 | 165.8° | 65.0° |
| H31 | C19 | C45 | H82 | 59.3° | 60.0° |
| H31 | C19 | C45 | H83 | 179.2° | 60.1° |
| H31 | C19 | C45 | H84 | 60.8° | 179.9° |
| H32 | C20 | C21 | H34 | 169.9° | 179.9° |
| H32 | C20 | C21 | H35 | 70.1° | 60.0° |
| H33 | C20 | C21 | H34 | 50.5° | 60.0° |
| H33 | C20 | C21 | H35 | 170.6° | 180.0° |
| H34 | C21 | C22 | H36 | 122.4° | 180.0° |
| H34 | C21 | C22 | H37 | 1.9° | 59.9° |
| H35 | C21 | C22 | H36 | 117.5° | 60.0° |
| H35 | C21 | C22 | H37 | 122.0° | 180.0° |
| H36 | C22 | C23 | H38 | 65.0° | 180.0° |
| H36 | C22 | C23 | H39 | 175.0° | 60.0° |
| H37 | C22 | C23 | H38 | 174.5° | 60.0° |
| H37 | C22 | C23 | H39 | 54.5° | 180.0° |
| H38 | C23 | C24 | H40 | 129.5° | 180.0° |
| H38 | C23 | C24 | H41 | 110.7° | 60.1° |
| H39 | C23 | C24 | H40 | 9.5° | 60.0° |
| H39 | C23 | C24 | H41 | 129.3° | 180.0° |
| H40 | C24 | C25 | H42 | 107.3° | 180.0° |
| H40 | C24 | C25 | H43 | 132.8° | 60.0° |
| H41 | C24 | C25 | H42 | 12.5° | 60.0° |
| H41 | C24 | C25 | H43 | 107.4° | 180.0° |
| H42 | C25 | C44 | H80 | 137.4° | 180.0° |
| H42 | C25 | C44 | H81 | 103.1° | 60.0° |
| H43 | C25 | C44 | H80 | 102.7° | 60.0° |
| H43 | C25 | C44 | H81 | 16.8° | 180.0° |
| H44 | C27 | C28 | H46 | 148.3° | 180.0° |
| H44 | C27 | C28 | H47 | 29.3° | 60.0° |
| H45 | C27 | C28 | H46 | 91.1° | 59.9° |
| H45 | C27 | C28 | H47 | 149.8° | 179.9° |
| H46 | C28 | C29 | H48 | 156.8° | 179.9° |
| H46 | C28 | C29 | H49 | 83.4° | 60.0° |
| H47 | C28 | C29 | H48 | 37.8° | 60.0° |
| H47 | C28 | C29 | H49 | 157.5° | 180.0° |
| H48 | C29 | C30 | H50 | 108.6° | 180.0° |
| H48 | C29 | C30 | H51 | 131.7° | 60.0° |
| H49 | C29 | C30 | H50 | 11.2° | 60.0° |
| H49 | C29 | C30 | H51 | 108.5° | 179.9° |
| H50 | C30 | C31 | H52 | 144.6° | 179.9° |
| H50 | C30 | C31 | H53 | 24.8° | 60.0° |
| H51 | C30 | C31 | H52 | 95.6° | 60.0° |
| H51 | C30 | C31 | H53 | 144.5° | 180.0° |
| H52 | C31 | C32 | H54 | 129.8° | 180.0° |
| H52 | C31 | C32 | H55 | 110.8° | 60.0° |
| H53 | C31 | C32 | H54 | 10.0° | 60.0° |
| H53 | C31 | C32 | H55 | 129.4° | 180.0° |
| H54 | C32 | C33 | H56 | 168.9° | 180.0° |
| H54 | C32 | C33 | H57 | 71.1° | 60.0° |
| H55 | C32 | C33 | H56 | 49.5° | 60.0° |
| H55 | C32 | C33 | H57 | 169.5° | 180.0° |
| H56 | C33 | C34 | H58 | 146.5° | 180.0° |
| H56 | C33 | C34 | H59 | 93.8° | 60.0° |
| H57 | C33 | C34 | H58 | 26.5° | 60.0° |
| H57 | C33 | C34 | H59 | 146.2° | NaN° |
| H58 | C34 | C35 | H60 | 15.5° | 180.0° |
| H58 | C34 | C35 | H61 | 104.6° | 60.0° |
| H59 | C34 | C35 | H60 | 104.1° | 60.0° |
| H59 | C34 | C35 | H61 | 135.7° | 180.0° |
| H60 | C35 | C36 | H62 | 127.7° | 180.0° |
| H60 | C35 | C36 | H63 | 112.5° | 60.0° |
| H61 | C35 | C36 | H62 | 7.5° | 60.0° |
| H61 | C35 | C36 | H63 | 127.3° | NaN° |
| H62 | C36 | C37 | H64 | 174.5° | 179.9° |
| H62 | C36 | C37 | H65 | 54.5° | 59.9° |
| H63 | C36 | C37 | H64 | 65.7° | 60.0° |
| H63 | C36 | C37 | H65 | 174.2° | NaN° |
| H64 | C37 | C38 | H66 | 135.1° | 180.0° |
| H64 | C37 | C38 | H67 | 104.9° | 60.0° |
| H65 | C37 | C38 | H66 | 104.8° | 60.0° |
| H65 | C37 | C38 | H67 | 15.1° | 180.0° |
| H66 | C38 | C39 | H68 | 154.0° | 180.0° |
| H66 | C38 | C39 | H69 | 86.8° | 59.9° |
| H67 | C38 | C39 | H68 | 34.0° | 60.0° |
| H67 | C38 | C39 | H69 | 153.3° | 180.0° |
| H68 | C39 | C40 | H70 | 160.1° | 180.0° |
| H68 | C39 | C40 | H71 | 40.2° | 60.0° |
| H69 | C39 | C40 | H70 | 80.7° | 60.0° |
| H69 | C39 | C40 | H71 | 159.5° | 179.9° |
| H70 | C40 | C41 | H72 | 92.9° | 180.0° |
| H70 | C40 | C41 | H73 | 147.8° | 60.0° |
| H71 | C40 | C41 | H72 | 27.0° | 60.0° |
| H71 | C40 | C41 | H73 | 92.4° | 180.0° |
| H72 | C41 | C42 | H74 | 59.7° | 180.0° |
| H72 | C41 | C42 | H75 | 60.3° | 60.0° |
| H72 | C41 | C42 | H76 | 179.7° | 60.0° |
| H73 | C41 | C42 | H74 | 59.7° | 60.0° |
| H73 | C41 | C42 | H75 | 179.7° | 179.9° |
| H73 | C41 | C42 | H76 | 60.3° | 60.0° |
| H74 | C42 | H75 | H76 | 120.0° | 120.0° |
| H77 | C43 | H78 | H79 | 120.0° | 120.0° |
| H77 | C43 | C44 | H80 | 59.8° | 60.0° |
| H77 | C43 | C44 | H81 | 59.8° | 60.0° |
| H78 | C43 | C44 | H80 | 60.2° | 180.0° |
| H78 | C43 | C44 | H81 | 179.7° | 60.0° |
| H79 | C43 | C44 | H80 | 179.8° | 60.0° |
| H79 | C43 | C44 | H81 | 60.3° | NaN° |
| H82 | C45 | H83 | H84 | 120.0° | 120.0° |
