LTV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.50Å | |
| C16 | C17 | sing | 1.51Å | 1.49Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C45 | C44 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.51Å | 1.50Å | |
| C17 | O1 | sing | 1.34Å | 1.32Å | |
| C17 | O | doub | 1.21Å | 1.21Å | |
| O1 | C18 | sing | 1.45Å | 1.43Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C20 | O3 | sing | 1.45Å | 1.44Å | |
| C20 | C19 | sing | 1.53Å | 1.49Å | |
| O3 | C21 | sing | 1.34Å | 1.33Å | |
| C21 | O4 | doub | 1.21Å | 1.21Å | |
| C44 | C43 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.49Å | |
| C43 | C42 | sing | 1.53Å | 1.51Å | |
| C19 | O2 | sing | 1.43Å | 1.43Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C42 | C41 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C41 | C40 | sing | 1.53Å | 1.51Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C40 | C39 | sing | 1.53Å | 1.51Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C39 | C38 | sing | 1.53Å | 1.51Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.53Å | 1.52Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| O2 | H4 | sing | 0.97Å | 0.95Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| C7 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| C6 | H28 | sing | 1.09Å | 1.10Å | |
| C5 | H29 | sing | 1.09Å | 1.10Å | |
| C5 | H30 | sing | 1.09Å | 1.10Å | |
| C4 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H34 | sing | 1.09Å | 1.10Å | |
| C2 | H35 | sing | 1.09Å | 1.10Å | |
| C2 | H36 | sing | 1.09Å | 1.10Å | |
| C1 | H37 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| C | H39 | sing | 1.09Å | 1.10Å | |
| C | H40 | sing | 1.09Å | 1.10Å | |
| C | H41 | sing | 1.09Å | 1.10Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C22 | H43 | sing | 1.09Å | 1.10Å | |
| C23 | H44 | sing | 1.09Å | 1.10Å | |
| C23 | H45 | sing | 1.09Å | 1.10Å | |
| C24 | H46 | sing | 1.09Å | 1.10Å | |
| C24 | H47 | sing | 1.09Å | 1.10Å | |
| C25 | H48 | sing | 1.09Å | 1.10Å | |
| C25 | H49 | sing | 1.09Å | 1.10Å | |
| C26 | H50 | sing | 1.09Å | 1.10Å | |
| C26 | H51 | sing | 1.09Å | 1.10Å | |
| C27 | H52 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | sing | 1.09Å | 1.10Å | |
| C28 | H54 | sing | 1.09Å | 1.10Å | |
| C28 | H55 | sing | 1.09Å | 1.10Å | |
| C29 | H56 | sing | 1.09Å | 1.10Å | |
| C29 | H57 | sing | 1.09Å | 1.10Å | |
| C30 | H58 | sing | 1.09Å | 1.10Å | |
| C30 | H59 | sing | 1.09Å | 1.10Å | |
| C31 | H60 | sing | 1.09Å | 1.10Å | |
| C31 | H61 | sing | 1.09Å | 1.10Å | |
| C32 | H62 | sing | 1.09Å | 1.10Å | |
| C32 | H63 | sing | 1.09Å | 1.10Å | |
| C33 | H64 | sing | 1.09Å | 1.10Å | |
| C33 | H65 | sing | 1.09Å | 1.10Å | |
| C34 | H66 | sing | 1.09Å | 1.10Å | |
| C34 | H67 | sing | 1.09Å | 1.10Å | |
| C35 | H68 | sing | 1.09Å | 1.10Å | |
| C35 | H69 | sing | 1.09Å | 1.10Å | |
| C36 | H70 | sing | 1.09Å | 1.10Å | |
| C36 | H71 | sing | 1.09Å | 1.10Å | |
| C37 | H72 | sing | 1.09Å | 1.10Å | |
| C37 | H73 | sing | 1.09Å | 1.10Å | |
| C38 | H74 | sing | 1.09Å | 1.10Å | |
| C38 | H75 | sing | 1.09Å | 1.10Å | |
| C39 | H76 | sing | 1.09Å | 1.10Å | |
| C39 | H77 | sing | 1.09Å | 1.10Å | |
| C40 | H78 | sing | 1.09Å | 1.10Å | |
| C40 | H79 | sing | 1.09Å | 1.10Å | |
| C41 | H80 | sing | 1.09Å | 1.10Å | |
| C41 | H81 | sing | 1.09Å | 1.10Å | |
| C42 | H82 | sing | 1.09Å | 1.10Å | |
| C42 | H83 | sing | 1.09Å | 1.10Å | |
| C43 | H84 | sing | 1.09Å | 1.10Å | |
| C43 | H85 | sing | 1.09Å | 1.10Å | |
| C44 | H86 | sing | 1.09Å | 1.10Å | |
| C44 | H87 | sing | 1.09Å | 1.10Å | |
| C45 | H88 | sing | 1.09Å | 1.10Å | |
| C45 | H89 | sing | 1.09Å | 1.10Å | |
| C45 | H90 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 114.0° | 109.5° |
| C | C1 | H37 | 108.3° | 109.5° |
| C | C1 | H38 | 108.3° | 109.4° |
| C1 | C | H39 | 109.5° | 109.5° |
| C1 | C | H40 | 109.5° | 109.5° |
| C1 | C | H41 | 109.5° | 109.5° |
| C1 | C2 | C3 | 115.7° | 109.5° |
| C1 | C2 | H35 | 107.9° | 109.5° |
| C1 | C2 | H36 | 107.9° | 109.5° |
| C2 | C1 | H37 | 108.3° | 109.5° |
| C2 | C1 | H38 | 108.3° | 109.5° |
| C2 | C3 | C4 | 114.6° | 109.5° |
| C2 | C3 | H33 | 108.2° | 109.4° |
| C2 | C3 | H34 | 108.2° | 109.5° |
| C3 | C2 | H35 | 107.9° | 109.4° |
| C3 | C2 | H36 | 107.9° | 109.5° |
| C3 | C4 | C5 | 114.6° | 109.5° |
| C3 | C4 | H31 | 108.1° | 109.4° |
| C3 | C4 | H32 | 108.2° | 109.5° |
| C4 | C3 | H33 | 108.2° | 109.5° |
| C4 | C3 | H34 | 108.2° | 109.4° |
| C4 | C5 | C6 | 113.8° | 109.5° |
| C4 | C5 | H29 | 108.4° | 109.5° |
| C4 | C5 | H30 | 108.3° | 109.5° |
| C5 | C4 | H31 | 108.2° | 109.5° |
| C5 | C4 | H32 | 108.2° | 109.5° |
| C5 | C6 | C7 | 114.6° | 109.5° |
| C5 | C6 | H27 | 108.2° | 109.5° |
| C5 | C6 | H28 | 108.2° | 109.4° |
| C6 | C5 | H29 | 108.4° | 109.4° |
| C6 | C5 | H30 | 108.4° | 109.5° |
| C6 | C7 | C8 | 114.9° | 109.5° |
| C6 | C7 | H25 | 108.1° | 109.5° |
| C6 | C7 | H26 | 108.1° | 109.4° |
| C7 | C6 | H27 | 108.2° | 109.5° |
| C7 | C6 | H28 | 108.2° | 109.5° |
| C7 | C8 | C9 | 114.1° | 109.5° |
| C7 | C8 | H23 | 108.3° | 109.5° |
| C7 | C8 | H24 | 108.3° | 109.5° |
| C8 | C7 | H25 | 108.1° | 109.5° |
| C8 | C7 | H26 | 108.1° | 109.5° |
| C8 | C9 | C10 | 114.4° | 109.5° |
| C8 | C9 | H21 | 108.2° | 109.5° |
| C8 | C9 | H22 | 108.2° | 109.5° |
| C9 | C8 | H23 | 108.3° | 109.4° |
| C9 | C8 | H24 | 108.3° | 109.5° |
| C9 | C10 | C11 | 114.5° | 109.5° |
| C9 | C10 | H19 | 108.2° | 109.4° |
| C9 | C10 | H20 | 108.2° | 109.5° |
| C10 | C9 | H21 | 108.2° | 109.4° |
| C10 | C9 | H22 | 108.2° | 109.5° |
| C10 | C11 | C12 | 113.7° | 109.5° |
| C10 | C11 | H17 | 108.4° | 109.4° |
| C10 | C11 | H18 | 108.4° | 109.5° |
| C11 | C10 | H19 | 108.2° | 109.5° |
| C11 | C10 | H20 | 108.2° | 109.5° |
| C24 | C25 | C26 | 114.7° | 109.5° |
| C25 | C24 | C23 | 113.8° | 109.5° |
| C25 | C24 | H46 | 108.4° | 109.4° |
| C25 | C24 | H47 | 108.4° | 109.5° |
| C24 | C25 | H48 | 108.1° | 109.4° |
| C24 | C25 | H49 | 108.2° | 109.5° |
| C25 | C26 | C27 | 114.4° | 109.4° |
| C26 | C25 | H48 | 108.1° | 109.5° |
| C26 | C25 | H49 | 108.1° | 109.5° |
| C25 | C26 | H50 | 108.2° | 109.4° |
| C25 | C26 | H51 | 108.2° | 109.5° |
| C14 | C13 | C12 | 114.0° | 109.5° |
| C13 | C14 | C15 | 111.8° | 109.5° |
| C13 | C14 | H11 | 108.9° | 109.4° |
| C13 | C14 | H12 | 108.9° | 109.5° |
| C14 | C13 | H13 | 108.3° | 109.5° |
| C14 | C13 | H14 | 108.3° | 109.4° |
| C13 | C12 | C11 | 114.3° | 109.5° |
| C12 | C13 | H13 | 108.3° | 109.5° |
| C12 | C13 | H14 | 108.3° | 109.5° |
| C13 | C12 | H15 | 108.3° | 109.5° |
| C13 | C12 | H16 | 108.3° | 109.4° |
| C11 | C12 | H15 | 108.3° | 109.5° |
| C11 | C12 | H16 | 108.2° | 109.5° |
| C12 | C11 | H17 | 108.4° | 109.5° |
| C12 | C11 | H18 | 108.4° | 109.5° |
| C24 | C23 | C22 | 112.3° | 109.4° |
| C24 | C23 | H44 | 108.8° | 109.4° |
| C24 | C23 | H45 | 108.8° | 109.5° |
| C23 | C24 | H46 | 108.4° | 109.5° |
| C23 | C24 | H47 | 108.4° | 109.5° |
| C14 | C15 | C16 | 108.2° | 109.5° |
| C14 | C15 | H9 | 109.8° | 109.4° |
| C14 | C15 | H10 | 109.8° | 109.5° |
| C15 | C14 | H11 | 108.9° | 109.5° |
| C15 | C14 | H12 | 108.9° | 109.5° |
| C26 | C27 | C28 | 114.6° | 109.5° |
| C27 | C26 | H50 | 108.2° | 109.5° |
| C27 | C26 | H51 | 108.2° | 109.5° |
| C26 | C27 | H52 | 108.2° | 109.5° |
| C26 | C27 | H53 | 108.2° | 109.5° |
| C27 | C28 | C29 | 115.8° | 109.5° |
| C28 | C27 | H52 | 108.2° | 109.5° |
| C28 | C27 | H53 | 108.2° | 109.4° |
| C27 | C28 | H54 | 107.9° | 109.5° |
| C27 | C28 | H55 | 107.9° | 109.5° |
| C15 | C16 | C17 | 119.7° | 109.5° |
| C15 | C16 | H7 | 106.9° | 109.5° |
| C15 | C16 | H8 | 106.9° | 109.5° |
| C16 | C15 | H9 | 109.8° | 109.5° |
| C16 | C15 | H10 | 109.8° | 109.5° |
| C16 | C17 | O1 | 110.6° | 120.0° |
| C16 | C17 | O | 125.7° | 119.9° |
| C17 | C16 | H7 | 106.9° | 109.5° |
| C17 | C16 | H8 | 106.8° | 109.5° |
| C23 | C22 | C21 | 114.2° | 109.5° |
| C23 | C22 | H42 | 108.3° | 109.5° |
| C23 | C22 | H43 | 108.3° | 109.5° |
| C22 | C23 | H44 | 108.8° | 109.5° |
| C22 | C23 | H45 | 108.7° | 109.5° |
| C45 | C44 | C43 | 113.8° | 109.5° |
| C45 | C44 | H86 | 108.3° | 109.5° |
| C45 | C44 | H87 | 108.4° | 109.4° |
| C44 | C45 | H88 | 109.5° | 109.5° |
| C44 | C45 | H89 | 109.5° | 109.5° |
| C44 | C45 | H90 | 109.5° | 109.5° |
| C28 | C29 | C30 | 114.1° | 109.5° |
| C29 | C28 | H54 | 107.9° | 109.5° |
| C29 | C28 | H55 | 107.9° | 109.5° |
| C28 | C29 | H56 | 108.3° | 109.4° |
| C28 | C29 | H57 | 108.3° | 109.5° |
| C22 | C21 | O3 | 111.2° | 120.0° |
| C22 | C21 | O4 | 125.1° | 120.0° |
| C21 | C22 | H42 | 108.3° | 109.4° |
| C21 | C22 | H43 | 108.3° | 109.5° |
| O1 | C17 | O | 123.1° | 120.1° |
| C17 | O1 | C18 | 111.8° | 117.0° |
| O1 | C18 | C19 | 120.5° | 109.5° |
| O1 | C18 | H5 | 106.6° | 109.4° |
| O1 | C18 | H6 | 106.6° | 109.5° |
| C29 | C30 | C31 | 114.9° | 109.4° |
| C30 | C29 | H56 | 108.3° | 109.5° |
| C30 | C29 | H57 | 108.3° | 109.5° |
| C29 | C30 | H58 | 108.1° | 109.4° |
| C29 | C30 | H59 | 108.1° | 109.5° |
| O3 | C20 | C19 | 98.9° | 109.5° |
| C20 | O3 | C21 | 116.7° | 117.0° |
| O3 | C20 | H1 | 112.0° | 109.5° |
| O3 | C20 | H2 | 112.0° | 109.5° |
| C20 | C19 | C18 | 118.2° | 109.5° |
| C20 | C19 | O2 | 113.5° | 109.4° |
| C19 | C20 | H1 | 112.1° | 109.5° |
| C19 | C20 | H2 | 112.1° | 109.4° |
| C20 | C19 | H3 | 106.6° | 109.5° |
| O3 | C21 | O4 | 123.8° | 120.0° |
| C44 | C43 | C42 | 112.9° | 109.4° |
| C44 | C43 | H84 | 108.6° | 109.5° |
| C44 | C43 | H85 | 108.6° | 109.5° |
| C43 | C44 | H86 | 108.4° | 109.5° |
| C43 | C44 | H87 | 108.4° | 109.5° |
| C18 | C19 | O2 | 104.2° | 109.4° |
| C18 | C19 | H3 | 106.6° | 109.5° |
| C19 | C18 | H5 | 106.6° | 109.5° |
| C19 | C18 | H6 | 106.6° | 109.5° |
| C43 | C42 | C41 | 113.7° | 109.5° |
| C43 | C42 | H82 | 108.4° | 109.5° |
| C43 | C42 | H83 | 108.4° | 109.5° |
| C42 | C43 | H84 | 108.6° | 109.4° |
| C42 | C43 | H85 | 108.6° | 109.5° |
| O2 | C19 | H3 | 107.3° | 109.4° |
| C19 | O2 | H4 | 109.5° | 114.0° |
| C30 | C31 | C32 | 114.1° | 109.4° |
| C31 | C30 | H58 | 108.1° | 109.5° |
| C31 | C30 | H59 | 108.1° | 109.5° |
| C30 | C31 | H60 | 108.3° | 109.5° |
| C30 | C31 | H61 | 108.3° | 109.5° |
| C42 | C41 | C40 | 113.1° | 109.5° |
| C42 | C41 | H80 | 108.6° | 109.5° |
| C42 | C41 | H81 | 108.6° | 109.5° |
| C41 | C42 | H82 | 108.4° | 109.4° |
| C41 | C42 | H83 | 108.4° | 109.5° |
| C31 | C32 | C33 | 113.5° | 109.5° |
| C32 | C31 | H60 | 108.3° | 109.5° |
| C32 | C31 | H61 | 108.3° | 109.4° |
| C31 | C32 | H62 | 108.5° | 109.5° |
| C31 | C32 | H63 | 108.4° | 109.5° |
| C41 | C40 | C39 | 114.0° | 109.5° |
| C41 | C40 | H78 | 108.3° | 109.4° |
| C41 | C40 | H79 | 108.3° | 109.5° |
| C40 | C41 | H80 | 108.5° | 109.4° |
| C40 | C41 | H81 | 108.6° | 109.5° |
| C32 | C33 | C34 | 114.2° | 109.5° |
| C33 | C32 | H62 | 108.5° | 109.5° |
| C33 | C32 | H63 | 108.4° | 109.4° |
| C32 | C33 | H64 | 108.3° | 109.5° |
| C32 | C33 | H65 | 108.3° | 109.4° |
| C40 | C39 | C38 | 112.9° | 109.5° |
| C40 | C39 | H76 | 108.6° | 109.5° |
| C40 | C39 | H77 | 108.6° | 109.4° |
| C39 | C40 | H78 | 108.3° | 109.5° |
| C39 | C40 | H79 | 108.4° | 109.5° |
| C33 | C34 | C35 | 114.2° | 109.5° |
| C34 | C33 | H64 | 108.3° | 109.5° |
| C34 | C33 | H65 | 108.3° | 109.5° |
| C33 | C34 | H66 | 108.2° | 109.4° |
| C33 | C34 | H67 | 108.3° | 109.4° |
| C34 | C35 | C36 | 114.2° | 109.4° |
| C35 | C34 | H66 | 108.3° | 109.5° |
| C35 | C34 | H67 | 108.3° | 109.5° |
| C34 | C35 | H68 | 108.3° | 109.5° |
| C34 | C35 | H69 | 108.3° | 109.5° |
| C39 | C38 | C37 | 113.5° | 109.5° |
| C39 | C38 | H74 | 108.5° | 109.5° |
| C39 | C38 | H75 | 108.5° | 109.5° |
| C38 | C39 | H76 | 108.6° | 109.5° |
| C38 | C39 | H77 | 108.6° | 109.5° |
| C38 | C37 | C36 | 114.1° | 109.5° |
| C38 | C37 | H72 | 108.3° | 109.5° |
| C38 | C37 | H73 | 108.3° | 109.5° |
| C37 | C38 | H74 | 108.4° | 109.5° |
| C37 | C38 | H75 | 108.4° | 109.4° |
| C37 | C36 | C35 | 114.2° | 109.5° |
| C37 | C36 | H70 | 108.3° | 109.4° |
| C37 | C36 | H71 | 108.3° | 109.5° |
| C36 | C37 | H72 | 108.3° | 109.4° |
| C36 | C37 | H73 | 108.3° | 109.5° |
| C36 | C35 | H68 | 108.3° | 109.4° |
| C36 | C35 | H69 | 108.3° | 109.5° |
| C35 | C36 | H70 | 108.3° | 109.5° |
| C35 | C36 | H71 | 108.2° | 109.5° |
| H1 | C20 | H2 | 109.4° | 109.5° |
| H5 | C18 | H6 | 109.5° | 109.4° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.4° | 109.4° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.4° |
| H19 | C10 | H20 | 109.5° | 109.4° |
| H21 | C9 | H22 | 109.5° | 109.4° |
| H23 | C8 | H24 | 109.5° | 109.4° |
| H25 | C7 | H26 | 109.5° | 109.5° |
| H27 | C6 | H28 | 109.5° | 109.5° |
| H29 | C5 | H30 | 109.5° | 109.4° |
| H31 | C4 | H32 | 109.5° | 109.4° |
| H33 | C3 | H34 | 109.5° | 109.5° |
| H35 | C2 | H36 | 109.5° | 109.4° |
| H37 | C1 | H38 | 109.5° | 109.5° |
| H39 | C | H40 | 109.5° | 109.5° |
| H39 | C | H41 | 109.5° | 109.4° |
| H40 | C | H41 | 109.4° | 109.4° |
| H42 | C22 | H43 | 109.4° | 109.5° |
| H44 | C23 | H45 | 109.5° | 109.5° |
| H46 | C24 | H47 | 109.4° | 109.5° |
| H48 | C25 | H49 | 109.5° | 109.5° |
| H50 | C26 | H51 | 109.4° | 109.5° |
| H52 | C27 | H53 | 109.4° | 109.4° |
| H54 | C28 | H55 | 109.5° | 109.5° |
| H56 | C29 | H57 | 109.4° | 109.5° |
| H58 | C30 | H59 | 109.5° | 109.4° |
| H60 | C31 | H61 | 109.5° | 109.5° |
| H62 | C32 | H63 | 109.5° | 109.4° |
| H64 | C33 | H65 | 109.5° | 109.5° |
| H66 | C34 | H67 | 109.5° | 109.5° |
| H68 | C35 | H69 | 109.5° | 109.5° |
| H70 | C36 | H71 | 109.5° | 109.5° |
| H72 | C37 | H73 | 109.5° | 109.5° |
| H74 | C38 | H75 | 109.5° | 109.4° |
| H76 | C39 | H77 | 109.5° | 109.4° |
| H78 | C40 | H79 | 109.5° | 109.5° |
| H80 | C41 | H81 | 109.5° | 109.5° |
| H82 | C42 | H83 | 109.5° | 109.5° |
| H84 | C43 | H85 | 109.5° | 109.5° |
| H86 | C44 | H87 | 109.5° | 109.4° |
| H88 | C45 | H89 | 109.5° | 109.4° |
| H88 | C45 | H90 | 109.5° | 109.4° |
| H89 | C45 | H90 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | H37 | 120.7° | 120.0° |
| C | C1 | C2 | H38 | 120.7° | 119.9° |
| C | C1 | C2 | C3 | 140.6° | 180.0° |
| C | C1 | C2 | H35 | 19.7° | 60.0° |
| C | C1 | C2 | H36 | 98.5° | 60.0° |
| C | C1 | H37 | H38 | 117.9° | 119.9° |
| C1 | C | H39 | H40 | 120.0° | 120.0° |
| C1 | C | H39 | H41 | 120.0° | 120.0° |
| C1 | C | H40 | H41 | 120.0° | 120.0° |
| C1 | C2 | C3 | H35 | 120.9° | 120.0° |
| C1 | C2 | C3 | H36 | 120.9° | 120.0° |
| C1 | C2 | C3 | C4 | 27.9° | 180.0° |
| C1 | C2 | C3 | H33 | 148.7° | 60.0° |
| C1 | C2 | C3 | H34 | 92.8° | 60.0° |
| C1 | C2 | H35 | H36 | 117.1° | 120.0° |
| C2 | C1 | H37 | H38 | 117.9° | 120.0° |
| C2 | C1 | C | H39 | 180.0° | 60.0° |
| C2 | C1 | C | H40 | 60.0° | 60.0° |
| C2 | C1 | C | H41 | 60.0° | 180.0° |
| C2 | C3 | C4 | H33 | 120.8° | 120.0° |
| C2 | C3 | C4 | H34 | 120.7° | 120.0° |
| C2 | C3 | C4 | C5 | 171.9° | 180.0° |
| C2 | C3 | C4 | H31 | 67.4° | 60.0° |
| C2 | C3 | C4 | H32 | 51.1° | 60.0° |
| C2 | C3 | H33 | H34 | 117.7° | 120.0° |
| C3 | C2 | H35 | H36 | 117.2° | 120.0° |
| C3 | C2 | C1 | H37 | 98.7° | 60.0° |
| C3 | C2 | C1 | H38 | 19.9° | 60.0° |
| C3 | C4 | C5 | H31 | 120.7° | 120.0° |
| C3 | C4 | C5 | H32 | 120.8° | 120.0° |
| C3 | C4 | C5 | C6 | 133.1° | 180.0° |
| C3 | C4 | C5 | H29 | 12.4° | 60.0° |
| C3 | C4 | C5 | H30 | 106.3° | 60.0° |
| C3 | C4 | H31 | H32 | 117.6° | 119.9° |
| C4 | C3 | H33 | H34 | 117.6° | 120.0° |
| C4 | C3 | C2 | H35 | 93.0° | 60.0° |
| C4 | C3 | C2 | H36 | 148.8° | 60.0° |
| C4 | C5 | C6 | H29 | 120.7° | 120.0° |
| C4 | C5 | C6 | H30 | 120.6° | 120.0° |
| C4 | C5 | C6 | C7 | 85.2° | 180.0° |
| C4 | C5 | C6 | H27 | 154.1° | 60.0° |
| C4 | C5 | C6 | H28 | 35.6° | 60.0° |
| C4 | C5 | H29 | H30 | 118.0° | 120.0° |
| C5 | C4 | H31 | H32 | 117.7° | 120.0° |
| C5 | C4 | C3 | H33 | 51.1° | 60.0° |
| C5 | C4 | C3 | H34 | 67.4° | 60.0° |
| C5 | C6 | C7 | H27 | 120.7° | 120.0° |
| C5 | C6 | C7 | H28 | 120.8° | 120.0° |
| C5 | C6 | C7 | C8 | 52.9° | 180.0° |
| C5 | C6 | C7 | H25 | 173.7° | 60.0° |
| C5 | C6 | C7 | H26 | 67.9° | 60.0° |
| C5 | C6 | H27 | H28 | 117.7° | 120.0° |
| C6 | C5 | H29 | H30 | 118.0° | 119.9° |
| C6 | C5 | C4 | H31 | 106.2° | 60.0° |
| C6 | C5 | C4 | H32 | 12.3° | 60.0° |
| C6 | C7 | C8 | H25 | 120.8° | 120.0° |
| C6 | C7 | C8 | H26 | 120.8° | 119.9° |
| C6 | C7 | C8 | C9 | 103.8° | 180.0° |
| C6 | C7 | C8 | H23 | 135.5° | 60.0° |
| C6 | C7 | C8 | H24 | 16.9° | 60.0° |
| C6 | C7 | H25 | H26 | 117.5° | 119.9° |
| C7 | C6 | H27 | H28 | 117.7° | 120.0° |
| C7 | C6 | C5 | H29 | 35.5° | 59.9° |
| C7 | C6 | C5 | H30 | 154.2° | 60.0° |
| C7 | C8 | C9 | H23 | 120.7° | 120.0° |
| C7 | C8 | C9 | H24 | 120.7° | 120.0° |
| C7 | C8 | C9 | C10 | 157.2° | 180.0° |
| C7 | C8 | C9 | H21 | 36.4° | 60.0° |
| C7 | C8 | C9 | H22 | 82.1° | 60.0° |
| C7 | C8 | H23 | H24 | 117.9° | 120.0° |
| C8 | C7 | H25 | H26 | 117.5° | 120.0° |
| C8 | C7 | C6 | H27 | 67.8° | 60.0° |
| C8 | C7 | C6 | H28 | 173.7° | 60.0° |
| C8 | C9 | C10 | H21 | 120.7° | 120.0° |
| C8 | C9 | C10 | H22 | 120.7° | 120.0° |
| C8 | C9 | C10 | C11 | 143.2° | 180.0° |
| C8 | C9 | C10 | H19 | 96.1° | 60.0° |
| C8 | C9 | C10 | H20 | 22.5° | 60.0° |
| C8 | C9 | H21 | H22 | 117.8° | 120.0° |
| C9 | C8 | H23 | H24 | 117.9° | 119.9° |
| C9 | C8 | C7 | H25 | 17.0° | 60.0° |
| C9 | C8 | C7 | H26 | 135.4° | 60.0° |
| C9 | C10 | C11 | H19 | 120.7° | 120.0° |
| C9 | C10 | C11 | H20 | 120.7° | 120.0° |
| C9 | C10 | C11 | C12 | 143.7° | 180.0° |
| C9 | C10 | C11 | H17 | 95.7° | 60.0° |
| C9 | C10 | C11 | H18 | 23.0° | 60.0° |
| C9 | C10 | H19 | H20 | 117.7° | 119.9° |
| C10 | C9 | H21 | H22 | 117.8° | 119.9° |
| C10 | C9 | C8 | H23 | 82.1° | 60.0° |
| C10 | C9 | C8 | H24 | 36.5° | 60.0° |
| C10 | C11 | C12 | C13 | 75.5° | 180.0° |
| C10 | C11 | C12 | H17 | 120.6° | 120.0° |
| C10 | C11 | C12 | H18 | 120.6° | 120.0° |
| C10 | C11 | C12 | H15 | 45.2° | 60.0° |
| C10 | C11 | C12 | H16 | 163.8° | 60.0° |
| C10 | C11 | H17 | H18 | 118.0° | 119.9° |
| C11 | C10 | H19 | H20 | 117.7° | 120.0° |
| C11 | C10 | C9 | H21 | 22.5° | 60.0° |
| C11 | C10 | C9 | H22 | 96.1° | 60.0° |
| C24 | C25 | C26 | H48 | 120.8° | 120.0° |
| C24 | C25 | C26 | H49 | 120.8° | 120.0° |
| C25 | C24 | C23 | H46 | 120.7° | 120.0° |
| C25 | C24 | C23 | H47 | 120.6° | 120.0° |
| C24 | C25 | C26 | C27 | 132.5° | 180.0° |
| C25 | C24 | C23 | C22 | 31.9° | 180.0° |
| C25 | C24 | C23 | H44 | 88.5° | 60.0° |
| C25 | C24 | C23 | H45 | 152.3° | 60.0° |
| C25 | C24 | H46 | H47 | 118.0° | 120.0° |
| C24 | C25 | H48 | H49 | 117.6° | 120.0° |
| C24 | C25 | C26 | H50 | 11.8° | 60.0° |
| C24 | C25 | C26 | H51 | 106.7° | 60.0° |
| C26 | C25 | C24 | C23 | 78.5° | 180.0° |
| C25 | C26 | C27 | H50 | 120.8° | 119.9° |
| C25 | C26 | C27 | H51 | 120.7° | 120.0° |
| C25 | C26 | C27 | C28 | 123.9° | 180.0° |
| C26 | C25 | C24 | H46 | 160.8° | 60.0° |
| C26 | C25 | C24 | H47 | 42.1° | 60.0° |
| C26 | C25 | H48 | H49 | 117.6° | 120.1° |
| C25 | C26 | H50 | H51 | 117.7° | 120.0° |
| C25 | C26 | C27 | H52 | 115.4° | 60.0° |
| C25 | C26 | C27 | H53 | 3.1° | 60.0° |
| C14 | C13 | C12 | H13 | 120.6° | 120.0° |
| C14 | C13 | C12 | H14 | 120.7° | 120.0° |
| C14 | C13 | C12 | C11 | 150.8° | 180.0° |
| C13 | C14 | C15 | H11 | 120.4° | 120.0° |
| C13 | C14 | C15 | H12 | 120.3° | 120.0° |
| C13 | C14 | C15 | C16 | 56.8° | 180.0° |
| C13 | C14 | C15 | H9 | 176.6° | 60.0° |
| C13 | C14 | C15 | H10 | 63.0° | 60.0° |
| C13 | C14 | H11 | H12 | 119.0° | 119.9° |
| C14 | C13 | H13 | H14 | 117.9° | 120.0° |
| C14 | C13 | C12 | H15 | 88.5° | 60.0° |
| C14 | C13 | C12 | H16 | 30.1° | 60.0° |
| C13 | C12 | C11 | H15 | 120.7° | 120.0° |
| C13 | C12 | C11 | H16 | 120.7° | 119.9° |
| C12 | C13 | C14 | C15 | 44.7° | 180.0° |
| C12 | C13 | C14 | H11 | 165.1° | 59.9° |
| C12 | C13 | C14 | H12 | 75.6° | 60.0° |
| C12 | C13 | H13 | H14 | 118.0° | 120.0° |
| C13 | C12 | H15 | H16 | 117.8° | 119.9° |
| C13 | C12 | C11 | H17 | 45.1° | 60.0° |
| C13 | C12 | C11 | H18 | 163.9° | 60.0° |
| C11 | C12 | C13 | H13 | 30.2° | 60.0° |
| C11 | C12 | C13 | H14 | 88.5° | 60.0° |
| C11 | C12 | H15 | H16 | 117.8° | 120.0° |
| C12 | C11 | H17 | H18 | 118.1° | 120.0° |
| C12 | C11 | C10 | H19 | 22.9° | 60.0° |
| C12 | C11 | C10 | H20 | 95.6° | 60.0° |
| C24 | C23 | C22 | H44 | 120.5° | 119.9° |
| C24 | C23 | C22 | H45 | 120.4° | 120.0° |
| C24 | C23 | C22 | C21 | 168.4° | 180.0° |
| C24 | C23 | C22 | H42 | 70.9° | 60.1° |
| C24 | C23 | C22 | H43 | 47.7° | 60.0° |
| C24 | C23 | H44 | H45 | 118.7° | 120.0° |
| C23 | C24 | H46 | H47 | 118.0° | 120.1° |
| C23 | C24 | C25 | H48 | 160.7° | 60.0° |
| C23 | C24 | C25 | H49 | 42.2° | 60.0° |
| C14 | C15 | C16 | H9 | 119.8° | 120.0° |
| C14 | C15 | C16 | H10 | 119.8° | 120.0° |
| C14 | C15 | C16 | C17 | 175.8° | 180.0° |
| C14 | C15 | C16 | H7 | 62.7° | 60.0° |
| C14 | C15 | C16 | H8 | 54.4° | 60.0° |
| C14 | C15 | H9 | H10 | 120.5° | 119.9° |
| C15 | C14 | H11 | H12 | 118.9° | 120.0° |
| C15 | C14 | C13 | H13 | 165.4° | 60.0° |
| C15 | C14 | C13 | H14 | 75.9° | 60.0° |
| C26 | C27 | C28 | H52 | 120.8° | 120.1° |
| C26 | C27 | C28 | H53 | 120.8° | 120.0° |
| C26 | C27 | C28 | C29 | 46.5° | 180.0° |
| C27 | C26 | C25 | H48 | 106.7° | 60.0° |
| C27 | C26 | C25 | H49 | 11.7° | 60.0° |
| C27 | C26 | H50 | H51 | 117.7° | 120.1° |
| C26 | C27 | H52 | H53 | 117.7° | 120.1° |
| C26 | C27 | C28 | H54 | 167.4° | 60.0° |
| C26 | C27 | C28 | H55 | 74.4° | 60.0° |
| C27 | C28 | C29 | H54 | 120.9° | 120.0° |
| C27 | C28 | C29 | H55 | 120.9° | 120.0° |
| C27 | C28 | C29 | C30 | 177.8° | 180.0° |
| C28 | C27 | C26 | H50 | 3.1° | 60.0° |
| C28 | C27 | C26 | H51 | 115.4° | 60.0° |
| C28 | C27 | H52 | H53 | 117.7° | 119.9° |
| C27 | C28 | H54 | H55 | 117.2° | 120.0° |
| C27 | C28 | C29 | H56 | 57.1° | 60.0° |
| C27 | C28 | C29 | H57 | 61.5° | 60.0° |
| C15 | C16 | C17 | H7 | 121.5° | 120.0° |
| C15 | C16 | C17 | H8 | 121.4° | 120.0° |
| C15 | C16 | C17 | O1 | 119.0° | 180.0° |
| C15 | C16 | C17 | O | 70.2° | 0.1° |
| C15 | C16 | H7 | H8 | 115.4° | 120.0° |
| C16 | C15 | H9 | H10 | 120.6° | 120.0° |
| C16 | C15 | C14 | H11 | 63.6° | 60.0° |
| C16 | C15 | C14 | H12 | 177.1° | 60.0° |
| C16 | C17 | O1 | O | 171.1° | 179.9° |
| C16 | C17 | O1 | C18 | 174.4° | 180.0° |
| C17 | C16 | H7 | H8 | 115.4° | 120.0° |
| C17 | C16 | C15 | H9 | 56.0° | 60.0° |
| C17 | C16 | C15 | H10 | 64.4° | 60.0° |
| C23 | C22 | C21 | H42 | 120.7° | 120.0° |
| C23 | C22 | C21 | H43 | 120.7° | 120.0° |
| C23 | C22 | C21 | O3 | 14.4° | 179.7° |
| C23 | C22 | C21 | O4 | 166.1° | 0.0° |
| C23 | C22 | H42 | H43 | 117.8° | 120.1° |
| C22 | C23 | H44 | H45 | 118.7° | 120.1° |
| C22 | C23 | C24 | H46 | 152.6° | 60.0° |
| C22 | C23 | C24 | H47 | 88.7° | 60.0° |
| C45 | C44 | C43 | H86 | 120.6° | 120.1° |
| C45 | C44 | C43 | H87 | 120.7° | 119.9° |
| C45 | C44 | C43 | C42 | 111.8° | 180.0° |
| C45 | C44 | C43 | H84 | 8.7° | 60.0° |
| C45 | C44 | C43 | H85 | 127.7° | 60.1° |
| C45 | C44 | H86 | H87 | 118.0° | 119.9° |
| C44 | C45 | H88 | H89 | 120.0° | 120.1° |
| C44 | C45 | H88 | H90 | 120.0° | 120.0° |
| C44 | C45 | H89 | H90 | 120.0° | 120.1° |
| C28 | C29 | C30 | H56 | 120.7° | 120.0° |
| C28 | C29 | C30 | H57 | 120.7° | 120.0° |
| C28 | C29 | C30 | C31 | 66.2° | 180.0° |
| C29 | C28 | C27 | H52 | 74.3° | 60.0° |
| C29 | C28 | C27 | H53 | 167.3° | 60.0° |
| C29 | C28 | H54 | H55 | 117.1° | 120.0° |
| C28 | C29 | H56 | H57 | 117.9° | 120.0° |
| C28 | C29 | C30 | H58 | 54.6° | 60.0° |
| C28 | C29 | C30 | H59 | 173.0° | 59.9° |
| C22 | C21 | O3 | C20 | 119.3° | 179.7° |
| C22 | C21 | O3 | O4 | 179.6° | 179.7° |
| C21 | C22 | H42 | H43 | 117.8° | 120.0° |
| C21 | C22 | C23 | H44 | 48.0° | 60.1° |
| C21 | C22 | C23 | H45 | 71.2° | 60.0° |
| C17 | O1 | C18 | C19 | 172.4° | 180.0° |
| C17 | O1 | C18 | H5 | 50.8° | 60.0° |
| C17 | O1 | C18 | H6 | 66.1° | 60.0° |
| O1 | C17 | C16 | H7 | 2.5° | 60.0° |
| O1 | C17 | C16 | H8 | 119.6° | 60.0° |
| O | C17 | O1 | C18 | 14.4° | 0.0° |
| O | C17 | C16 | H7 | 168.4° | 120.0° |
| O | C17 | C16 | H8 | 51.2° | 120.1° |
| O1 | C18 | C19 | C20 | 27.9° | 175.0° |
| O1 | C18 | C19 | H5 | 121.5° | 120.0° |
| O1 | C18 | C19 | H6 | 121.5° | 120.0° |
| O1 | C18 | C19 | O2 | 154.9° | 65.0° |
| O1 | C18 | C19 | H3 | 91.9° | 54.9° |
| O1 | C18 | H5 | H6 | 115.0° | 120.0° |
| C29 | C30 | C31 | H58 | 120.8° | 119.9° |
| C29 | C30 | C31 | H59 | 120.8° | 120.0° |
| C29 | C30 | C31 | C32 | 171.5° | 179.9° |
| C30 | C29 | C28 | H54 | 61.3° | 60.0° |
| C30 | C29 | C28 | H55 | 56.8° | 60.0° |
| C30 | C29 | H56 | H57 | 117.9° | 120.0° |
| C29 | C30 | H58 | H59 | 117.5° | 120.0° |
| C29 | C30 | C31 | H60 | 67.8° | 60.1° |
| C29 | C30 | C31 | H61 | 50.8° | 60.0° |
| O3 | C20 | C19 | H1 | 118.3° | 120.0° |
| O3 | C20 | C19 | H2 | 118.3° | 120.0° |
| C20 | O3 | C21 | O4 | 60.3° | 0.0° |
| O3 | C20 | C19 | C18 | 98.0° | 175.0° |
| O3 | C20 | C19 | O2 | 139.6° | 65.0° |
| O3 | C20 | H1 | H2 | 124.9° | 120.0° |
| O3 | C20 | C19 | H3 | 21.8° | 55.0° |
| C19 | C20 | O3 | C21 | 121.9° | 180.0° |
| C20 | C19 | C18 | O2 | 127.0° | 119.9° |
| C20 | C19 | C18 | H3 | 119.8° | 120.1° |
| C20 | C19 | O2 | H3 | 117.4° | 120.0° |
| C19 | C20 | H1 | H2 | 124.9° | 120.0° |
| C20 | C19 | O2 | H4 | 180.0° | 60.0° |
| C20 | C19 | C18 | H5 | 93.7° | 65.0° |
| C20 | C19 | C18 | H6 | 149.4° | 55.0° |
| C21 | O3 | C20 | H1 | 3.6° | 60.0° |
| C21 | O3 | C20 | H2 | 119.8° | 60.0° |
| O3 | C21 | C22 | H42 | 135.1° | 60.3° |
| O3 | C21 | C22 | H43 | 106.3° | 59.7° |
| O4 | C21 | C22 | H42 | 45.4° | 120.0° |
| O4 | C21 | C22 | H43 | 73.2° | 120.0° |
| C44 | C43 | C42 | H84 | 120.5° | 120.0° |
| C44 | C43 | C42 | H85 | 120.5° | 120.0° |
| C44 | C43 | C42 | C41 | 93.0° | 179.9° |
| C44 | C43 | C42 | H82 | 27.7° | 60.0° |
| C44 | C43 | C42 | H83 | 146.4° | 60.0° |
| C44 | C43 | H84 | H85 | 118.5° | 120.1° |
| C43 | C44 | H86 | H87 | 118.0° | 120.0° |
| C43 | C44 | C45 | H88 | 180.0° | 60.0° |
| C43 | C44 | C45 | H89 | 60.0° | 180.0° |
| C43 | C44 | C45 | H90 | 60.0° | 59.9° |
| C18 | C19 | O2 | H3 | 112.7° | 120.0° |
| C18 | C19 | C20 | H1 | 143.7° | 65.0° |
| C18 | C19 | C20 | H2 | 20.3° | 55.0° |
| C18 | C19 | O2 | H4 | 50.2° | 60.0° |
| C19 | C18 | H5 | H6 | 115.0° | 120.0° |
| C43 | C42 | C41 | H82 | 120.6° | 120.0° |
| C43 | C42 | C41 | H83 | 120.6° | 120.0° |
| C43 | C42 | C41 | C40 | 70.3° | 180.0° |
| C43 | C42 | C41 | H80 | 50.2° | 60.0° |
| C43 | C42 | C41 | H81 | 169.2° | 60.0° |
| C43 | C42 | H82 | H83 | 118.0° | 120.0° |
| C42 | C43 | H84 | H85 | 118.4° | 120.0° |
| C42 | C43 | C44 | H86 | 127.6° | 60.0° |
| C42 | C43 | C44 | H87 | 8.9° | 60.0° |
| O2 | C19 | C20 | H1 | 21.3° | 55.0° |
| O2 | C19 | C20 | H2 | 102.1° | 175.0° |
| O2 | C19 | C18 | H5 | 33.3° | 55.0° |
| O2 | C19 | C18 | H6 | 83.6° | 174.9° |
| C30 | C31 | C32 | H60 | 120.7° | 120.0° |
| C30 | C31 | C32 | H61 | 120.7° | 120.0° |
| C30 | C31 | C32 | C33 | 71.7° | 180.0° |
| C31 | C30 | C29 | H56 | 173.1° | 60.0° |
| C31 | C30 | C29 | H57 | 54.5° | 60.0° |
| C31 | C30 | H58 | H59 | 117.6° | 120.1° |
| C30 | C31 | H60 | H61 | 117.9° | 120.1° |
| C30 | C31 | C32 | H62 | 167.7° | 60.0° |
| C30 | C31 | C32 | H63 | 48.9° | 60.0° |
| C42 | C41 | C40 | H80 | 120.6° | 120.0° |
| C42 | C41 | C40 | H81 | 120.5° | 120.0° |
| C42 | C41 | C40 | C39 | 179.6° | 180.0° |
| C42 | C41 | C40 | H78 | 59.0° | 60.0° |
| C42 | C41 | C40 | H79 | 59.7° | 60.0° |
| C42 | C41 | H80 | H81 | 118.4° | 120.0° |
| C41 | C42 | H82 | H83 | 118.1° | 120.0° |
| C41 | C42 | C43 | H84 | 146.5° | 60.0° |
| C41 | C42 | C43 | H85 | 27.5° | 60.0° |
| C31 | C32 | C33 | H62 | 120.6° | 120.1° |
| C31 | C32 | C33 | H63 | 120.6° | 120.0° |
| C31 | C32 | C33 | C34 | 81.6° | 180.0° |
| C32 | C31 | C30 | H58 | 50.7° | 60.0° |
| C32 | C31 | C30 | H59 | 67.7° | 60.0° |
| C32 | C31 | H60 | H61 | 117.9° | 120.0° |
| C31 | C32 | H62 | H63 | 118.2° | 120.0° |
| C31 | C32 | C33 | H64 | 39.1° | 59.9° |
| C31 | C32 | C33 | H65 | 157.8° | 60.0° |
| C41 | C40 | C39 | H78 | 120.7° | 120.0° |
| C41 | C40 | C39 | H79 | 120.7° | 120.0° |
| C41 | C40 | C39 | C38 | 171.6° | 180.0° |
| C41 | C40 | C39 | H76 | 51.1° | 60.0° |
| C41 | C40 | C39 | H77 | 67.9° | 60.0° |
| C41 | C40 | H78 | H79 | 117.9° | 120.0° |
| C40 | C41 | H80 | H81 | 118.3° | 120.0° |
| C40 | C41 | C42 | H82 | 169.1° | 60.0° |
| C40 | C41 | C42 | H83 | 50.3° | 60.0° |
| C32 | C33 | C34 | H64 | 120.7° | 120.0° |
| C32 | C33 | C34 | H65 | 120.7° | 120.0° |
| C32 | C33 | C34 | C35 | 102.7° | 180.0° |
| C33 | C32 | C31 | H60 | 49.0° | 60.0° |
| C33 | C32 | C31 | H61 | 167.7° | 60.0° |
| C33 | C32 | H62 | H63 | 118.1° | 119.9° |
| C32 | C33 | H64 | H65 | 117.9° | 119.9° |
| C32 | C33 | C34 | H66 | 18.0° | 60.0° |
| C32 | C33 | C34 | H67 | 136.6° | 60.0° |
| C40 | C39 | C38 | H76 | 120.5° | 120.0° |
| C40 | C39 | C38 | H77 | 120.5° | 120.0° |
| C40 | C39 | C38 | C37 | 22.8° | 180.0° |
| C40 | C39 | C38 | H74 | 143.4° | 60.0° |
| C40 | C39 | C38 | H75 | 97.8° | 60.0° |
| C40 | C39 | H76 | H77 | 118.4° | 119.9° |
| C39 | C40 | H78 | H79 | 118.0° | 120.0° |
| C39 | C40 | C41 | H80 | 59.8° | 60.0° |
| C39 | C40 | C41 | H81 | 59.1° | 60.0° |
| C33 | C34 | C35 | H66 | 120.7° | 120.0° |
| C33 | C34 | C35 | H67 | 120.7° | 120.0° |
| C33 | C34 | C35 | C36 | 143.8° | 180.0° |
| C34 | C33 | C32 | H62 | 157.8° | 59.9° |
| C34 | C33 | C32 | H63 | 39.0° | 60.0° |
| C34 | C33 | H64 | H65 | 117.9° | 120.0° |
| C33 | C34 | H66 | H67 | 117.8° | 119.9° |
| C33 | C34 | C35 | H68 | 23.1° | 60.0° |
| C33 | C34 | C35 | H69 | 95.5° | 60.0° |
| C34 | C35 | C36 | C37 | 47.6° | 180.0° |
| C34 | C35 | C36 | H68 | 120.7° | 120.0° |
| C34 | C35 | C36 | H69 | 120.7° | 120.0° |
| C35 | C34 | C33 | H64 | 136.6° | 60.0° |
| C35 | C34 | C33 | H65 | 18.0° | 60.0° |
| C35 | C34 | H66 | H67 | 117.8° | 120.1° |
| C34 | C35 | H68 | H69 | 117.8° | 120.1° |
| C34 | C35 | C36 | H70 | 168.3° | 60.0° |
| C34 | C35 | C36 | H71 | 73.1° | 60.0° |
| C39 | C38 | C37 | H74 | 120.6° | 120.1° |
| C39 | C38 | C37 | H75 | 120.6° | 120.0° |
| C39 | C38 | C37 | C36 | 167.4° | 180.0° |
| C39 | C38 | C37 | H72 | 71.9° | 60.0° |
| C39 | C38 | C37 | H73 | 46.7° | 60.0° |
| C39 | C38 | H74 | H75 | 118.2° | 120.0° |
| C38 | C39 | H76 | H77 | 118.5° | 120.0° |
| C38 | C39 | C40 | H78 | 67.7° | 60.0° |
| C38 | C39 | C40 | H79 | 51.0° | 60.0° |
| C38 | C37 | C36 | H72 | 120.7° | 120.0° |
| C38 | C37 | C36 | H73 | 120.7° | 120.0° |
| C38 | C37 | C36 | C35 | 155.7° | 180.0° |
| C38 | C37 | C36 | H70 | 35.0° | 60.0° |
| C38 | C37 | C36 | H71 | 83.6° | 60.0° |
| C38 | C37 | H72 | H73 | 117.9° | 120.0° |
| C37 | C38 | H74 | H75 | 118.1° | 119.9° |
| C37 | C38 | C39 | H76 | 97.7° | 60.0° |
| C37 | C38 | C39 | H77 | 143.3° | 60.0° |
| C37 | C36 | C35 | H70 | 120.7° | 120.0° |
| C37 | C36 | C35 | H71 | 120.7° | 120.0° |
| C37 | C36 | C35 | H68 | 168.3° | 60.0° |
| C37 | C36 | C35 | H69 | 73.0° | 60.0° |
| C37 | C36 | H70 | H71 | 117.9° | 120.0° |
| C36 | C37 | H72 | H73 | 117.9° | 120.0° |
| C36 | C37 | C38 | H74 | 46.8° | 60.0° |
| C36 | C37 | C38 | H75 | 72.0° | 60.0° |
| C36 | C35 | C34 | H66 | 95.5° | 60.1° |
| C36 | C35 | C34 | H67 | 23.2° | 60.0° |
| C36 | C35 | H68 | H69 | 117.9° | 120.0° |
| C35 | C36 | H70 | H71 | 117.8° | 120.1° |
| C35 | C36 | C37 | H72 | 83.6° | 60.0° |
| C35 | C36 | C37 | H73 | 35.0° | 60.0° |
| H1 | C20 | C19 | H3 | 96.5° | 174.9° |
| H2 | C20 | C19 | H3 | 140.0° | 65.0° |
| H3 | C19 | O2 | H4 | 62.6° | 180.0° |
| H3 | C19 | C18 | H5 | 146.6° | 174.9° |
| H3 | C19 | C18 | H6 | 29.7° | 65.1° |
| H7 | C16 | C15 | H9 | 177.5° | NaN° |
| H7 | C16 | C15 | H10 | 57.1° | 60.0° |
| H8 | C16 | C15 | H9 | 65.4° | 60.0° |
| H8 | C16 | C15 | H10 | 174.2° | 180.0° |
| H9 | C15 | C14 | H11 | 56.2° | 180.0° |
| H9 | C15 | C14 | H12 | 63.0° | 60.0° |
| H10 | C15 | C14 | H11 | 176.6° | 60.0° |
| H10 | C15 | C14 | H12 | 57.3° | 180.0° |
| H11 | C14 | C13 | H13 | 74.3° | 180.0° |
| H11 | C14 | C13 | H14 | 44.4° | 60.0° |
| H12 | C14 | C13 | H13 | 45.1° | 60.0° |
| H12 | C14 | C13 | H14 | 163.7° | 180.0° |
| H13 | C13 | C12 | H15 | 150.9° | 180.0° |
| H13 | C13 | C12 | H16 | 90.5° | 60.0° |
| H14 | C13 | C12 | H15 | 32.2° | 60.0° |
| H14 | C13 | C12 | H16 | 150.8° | 180.0° |
| H15 | C12 | C11 | H17 | 165.8° | 180.0° |
| H15 | C12 | C11 | H18 | 75.4° | 60.0° |
| H16 | C12 | C11 | H17 | 75.6° | 60.0° |
| H16 | C12 | C11 | H18 | 43.2° | 180.0° |
| H17 | C11 | C10 | H19 | 143.5° | 180.0° |
| H17 | C11 | C10 | H20 | 25.0° | 60.0° |
| H18 | C11 | C10 | H19 | 97.7° | 60.0° |
| H18 | C11 | C10 | H20 | 143.8° | 180.0° |
| H19 | C10 | C9 | H21 | 143.2° | NaN° |
| H19 | C10 | C9 | H22 | 24.6° | 60.1° |
| H20 | C10 | C9 | H21 | 98.3° | 60.1° |
| H20 | C10 | C9 | H22 | 143.2° | 180.0° |
| H21 | C9 | C8 | H23 | 157.1° | 180.0° |
| H21 | C9 | C8 | H24 | 84.2° | 60.0° |
| H22 | C9 | C8 | H23 | 38.6° | 60.0° |
| H22 | C9 | C8 | H24 | 157.2° | 180.0° |
| H23 | C8 | C7 | H25 | 103.7° | 180.0° |
| H23 | C8 | C7 | H26 | 14.7° | 60.0° |
| H24 | C8 | C7 | H25 | 137.7° | 60.0° |
| H24 | C8 | C7 | H26 | 103.9° | 180.0° |
| H25 | C7 | C6 | H27 | 53.0° | 180.0° |
| H25 | C7 | C6 | H28 | 65.5° | 60.0° |
| H26 | C7 | C6 | H27 | 171.4° | 60.0° |
| H26 | C7 | C6 | H28 | 52.9° | 180.0° |
| H27 | C6 | C5 | H29 | 85.3° | 180.0° |
| H27 | C6 | C5 | H30 | 33.5° | 60.0° |
| H28 | C6 | C5 | H29 | 156.2° | 60.0° |
| H28 | C6 | C5 | H30 | 85.0° | 180.0° |
| H29 | C5 | C4 | H31 | 133.2° | 180.0° |
| H29 | C5 | C4 | H32 | 108.3° | 60.0° |
| H30 | C5 | C4 | H31 | 14.5° | 60.0° |
| H30 | C5 | C4 | H32 | 133.0° | 180.0° |
| H31 | C4 | C3 | H33 | 171.9° | 180.0° |
| H31 | C4 | C3 | H34 | 53.4° | 60.0° |
| H32 | C4 | C3 | H33 | 69.7° | 60.0° |
| H32 | C4 | C3 | H34 | 171.8° | 180.0° |
| H33 | C3 | C2 | H35 | 27.7° | 180.0° |
| H33 | C3 | C2 | H36 | 90.4° | 60.0° |
| H34 | C3 | C2 | H35 | 146.2° | 60.0° |
| H34 | C3 | C2 | H36 | 28.1° | 180.0° |
| H35 | C2 | C1 | H37 | 140.4° | 180.0° |
| H35 | C2 | C1 | H38 | 101.0° | 60.0° |
| H36 | C2 | C1 | H37 | 22.2° | 60.0° |
| H36 | C2 | C1 | H38 | 140.9° | 179.9° |
| H37 | C1 | C | H39 | 59.3° | 180.0° |
| H37 | C1 | C | H40 | 60.7° | 60.0° |
| H37 | C1 | C | H41 | 179.3° | 60.0° |
| H38 | C1 | C | H39 | 59.3° | 60.0° |
| H38 | C1 | C | H40 | 179.3° | 180.0° |
| H38 | C1 | C | H41 | 60.7° | 60.0° |
| H39 | C | H40 | H41 | 120.0° | 119.9° |
| H42 | C22 | C23 | H44 | 168.7° | 180.0° |
| H42 | C22 | C23 | H45 | 49.5° | 59.9° |
| H43 | C22 | C23 | H44 | 72.8° | 59.9° |
| H43 | C22 | C23 | H45 | 168.1° | 180.0° |
| H44 | C23 | C24 | H46 | 32.2° | 180.0° |
| H44 | C23 | C24 | H47 | 150.9° | 60.0° |
| H45 | C23 | C24 | H46 | 87.0° | 60.0° |
| H45 | C23 | C24 | H47 | 31.7° | 180.0° |
| H46 | C24 | C25 | H48 | 40.1° | 180.0° |
| H46 | C24 | C25 | H49 | 78.4° | 60.0° |
| H47 | C24 | C25 | H48 | 78.6° | 60.0° |
| H47 | C24 | C25 | H49 | 162.9° | 180.0° |
| H48 | C25 | C26 | H50 | 132.6° | 180.0° |
| H48 | C25 | C26 | H51 | 14.0° | 60.0° |
| H49 | C25 | C26 | H50 | 109.0° | 60.0° |
| H49 | C25 | C26 | H51 | 132.5° | 180.0° |
| H50 | C26 | C27 | H52 | 123.9° | 180.0° |
| H50 | C26 | C27 | H53 | 117.7° | 59.9° |
| H51 | C26 | C27 | H52 | 5.4° | 60.0° |
| H51 | C26 | C27 | H53 | 123.8° | 180.0° |
| H52 | C27 | C28 | H54 | 46.6° | 179.9° |
| H52 | C27 | C28 | H55 | 164.8° | 60.0° |
| H53 | C27 | C28 | H54 | 71.8° | 60.0° |
| H53 | C27 | C28 | H55 | 46.4° | 180.0° |
| H54 | C28 | C29 | H56 | 178.0° | 180.0° |
| H54 | C28 | C29 | H57 | 59.4° | 60.0° |
| H55 | C28 | C29 | H56 | 63.9° | 60.0° |
| H55 | C28 | C29 | H57 | 177.5° | 180.0° |
| H56 | C29 | C30 | H58 | 66.1° | 180.0° |
| H56 | C29 | C30 | H59 | 52.3° | 60.0° |
| H57 | C29 | C30 | H58 | 175.3° | 60.0° |
| H57 | C29 | C30 | H59 | 66.3° | 180.0° |
| H58 | C30 | C31 | H60 | 171.4° | 180.0° |
| H58 | C30 | C31 | H61 | 70.0° | 59.9° |
| H59 | C30 | C31 | H60 | 53.0° | 60.0° |
| H59 | C30 | C31 | H61 | 171.6° | 180.0° |
| H60 | C31 | C32 | H62 | 71.6° | 180.0° |
| H60 | C31 | C32 | H63 | 169.6° | 60.0° |
| H61 | C31 | C32 | H62 | 47.0° | 60.0° |
| H61 | C31 | C32 | H63 | 71.8° | 180.0° |
| H62 | C32 | C33 | H64 | 81.5° | 180.0° |
| H62 | C32 | C33 | H65 | 37.1° | 60.1° |
| H63 | C32 | C33 | H64 | 159.7° | 60.0° |
| H63 | C32 | C33 | H65 | 81.7° | 180.0° |
| H64 | C33 | C34 | H66 | 102.7° | 180.0° |
| H64 | C33 | C34 | H67 | 15.9° | 60.0° |
| H65 | C33 | C34 | H66 | 138.7° | 60.0° |
| H65 | C33 | C34 | H67 | 102.7° | 180.0° |
| H66 | C34 | C35 | H68 | 143.8° | 180.0° |
| H66 | C34 | C35 | H69 | 25.2° | 59.9° |
| H67 | C34 | C35 | H68 | 97.5° | 59.9° |
| H67 | C34 | C35 | H69 | 143.9° | 180.0° |
| H68 | C35 | C36 | H70 | 71.0° | 180.0° |
| H68 | C35 | C36 | H71 | 47.6° | 60.0° |
| H69 | C35 | C36 | H70 | 47.7° | 60.0° |
| H69 | C35 | C36 | H71 | 166.3° | 180.0° |
| H70 | C36 | C37 | H72 | 155.7° | NaN° |
| H70 | C36 | C37 | H73 | 85.7° | 60.0° |
| H71 | C36 | C37 | H72 | 37.0° | 60.0° |
| H71 | C36 | C37 | H73 | 155.7° | NaN° |
| H72 | C37 | C38 | H74 | 167.5° | 179.9° |
| H72 | C37 | C38 | H75 | 48.7° | 60.0° |
| H73 | C37 | C38 | H74 | 73.9° | 60.0° |
| H73 | C37 | C38 | H75 | 167.3° | 180.0° |
| H74 | C38 | C39 | H76 | 22.9° | 180.0° |
| H74 | C38 | C39 | H77 | 96.1° | 60.0° |
| H75 | C38 | C39 | H76 | 141.7° | 60.0° |
| H75 | C38 | C39 | H77 | 22.7° | 180.0° |
| H76 | C39 | C40 | H78 | 171.7° | 179.9° |
| H76 | C39 | C40 | H79 | 69.6° | 60.0° |
| H77 | C39 | C40 | H78 | 52.8° | 60.0° |
| H77 | C39 | C40 | H79 | 171.5° | 180.0° |
| H78 | C40 | C41 | H80 | 179.5° | NaN° |
| H78 | C40 | C41 | H81 | 61.6° | 60.0° |
| H79 | C40 | C41 | H80 | 60.8° | 60.0° |
| H79 | C40 | C41 | H81 | 179.7° | 180.0° |
| H80 | C41 | C42 | H82 | 70.4° | 180.0° |
| H80 | C41 | C42 | H83 | 170.9° | 60.0° |
| H81 | C41 | C42 | H82 | 48.6° | 60.0° |
| H81 | C41 | C42 | H83 | 70.2° | 180.0° |
| H82 | C42 | C43 | H84 | 92.8° | 180.0° |
| H82 | C42 | C43 | H85 | 148.2° | 60.0° |
| H83 | C42 | C43 | H84 | 25.9° | 60.0° |
| H83 | C42 | C43 | H85 | 93.1° | 180.0° |
| H84 | C43 | C44 | H86 | 111.9° | 180.0° |
| H84 | C43 | C44 | H87 | 129.4° | 59.9° |
| H85 | C43 | C44 | H86 | 7.1° | 60.0° |
| H85 | C43 | C44 | H87 | 111.6° | 180.0° |
| H86 | C44 | C45 | H88 | 59.4° | 60.1° |
| H86 | C44 | C45 | H89 | 60.6° | 59.9° |
| H86 | C44 | C45 | H90 | 179.4° | 180.0° |
| H87 | C44 | C45 | H88 | 59.3° | 180.0° |
| H87 | C44 | C45 | H89 | 179.3° | 60.0° |
| H87 | C44 | C45 | H90 | 60.6° | 60.1° |
| H88 | C45 | H89 | H90 | 120.0° | 119.9° |
