Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.48Å | |
| C02 | C85 | sing | 1.53Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.48Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C05 | C06 | sing | 1.53Å | 1.68Å | |
| C05 | O09 | sing | 1.43Å | 1.35Å | |
| C05 | O84 | sing | 1.43Å | 1.47Å | |
| C06 | C07 | sing | 1.53Å | 1.32Å | |
| C06 | C83 | sing | 1.54Å | 1.56Å | |
| C07 | C08 | sing | 1.53Å | 1.61Å | |
| C07 | C12 | sing | 1.53Å | 1.38Å | |
| C08 | O09 | sing | 1.43Å | 1.57Å | |
| C08 | C10 | sing | 1.53Å | 1.67Å | |
| C10 | C11 | sing | 1.54Å | 1.34Å | |
| C10 | O82 | sing | 1.43Å | 1.41Å | |
| C11 | C16 | sing | 1.52Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C81 | sing | 1.52Å | 1.56Å | |
| C13 | C14 | sing | 1.52Å | 1.61Å | |
| C14 | C15 | sing | 1.52Å | 1.66Å | |
| C15 | C16 | sing | 1.51Å | 1.60Å | |
| C15 | C20 | sing | 1.51Å | 1.56Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| C18 | C19 | sing | 1.53Å | 1.61Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C19 | C24 | sing | 1.53Å | 1.56Å | |
| C20 | C21 | sing | 1.54Å | 1.56Å | |
| C20 | C80 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.52Å | 1.56Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | O79 | sing | 1.43Å | 1.41Å | |
| C23 | C24 | sing | 1.53Å | 1.56Å | |
| C23 | O25 | sing | 1.43Å | 1.47Å | |
| O25 | C26 | sing | 1.43Å | 1.45Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | O31 | sing | 1.43Å | 1.48Å | |
| C27 | C28 | sing | 1.53Å | 1.48Å | |
| C27 | O78 | sing | 1.43Å | 1.41Å | |
| C28 | C29 | sing | 1.53Å | 1.48Å | |
| C28 | O77 | sing | 1.43Å | 1.41Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | O34 | sing | 1.43Å | 1.48Å | |
| C30 | O31 | sing | 1.43Å | 1.48Å | |
| C30 | C32 | sing | 1.53Å | 1.56Å | |
| C32 | O33 | sing | 1.43Å | 1.41Å | |
| O34 | C35 | sing | 1.43Å | 1.47Å | |
| C35 | C36 | sing | 1.53Å | 1.56Å | |
| C35 | O40 | sing | 1.43Å | 1.47Å | |
| C36 | C37 | sing | 1.53Å | 1.49Å | |
| C36 | O54 | sing | 1.43Å | 1.49Å | |
| C37 | C38 | sing | 1.53Å | 1.48Å | |
| C37 | O44 | sing | 1.43Å | 1.46Å | |
| C38 | C39 | sing | 1.53Å | 1.56Å | |
| C38 | O43 | sing | 1.43Å | 1.41Å | |
| C39 | O40 | sing | 1.43Å | 1.49Å | |
| C39 | C41 | sing | 1.53Å | 1.55Å | |
| C41 | O42 | sing | 1.43Å | 1.41Å | |
| O44 | C45 | sing | 1.43Å | 1.46Å | |
| C45 | C46 | sing | 1.53Å | 1.54Å | |
| C45 | O50 | sing | 1.43Å | 1.47Å | |
| C46 | C47 | sing | 1.53Å | 1.48Å | |
| C46 | O53 | sing | 1.43Å | 1.41Å | |
| C47 | C48 | sing | 1.53Å | 1.47Å | |
| C47 | O52 | sing | 1.43Å | 1.41Å | |
| C48 | C49 | sing | 1.53Å | 1.54Å | |
| C48 | O51 | sing | 1.43Å | 1.41Å | |
| C49 | O50 | sing | 1.43Å | 1.48Å | |
| O54 | C55 | sing | 1.43Å | 1.44Å | |
| C55 | C56 | sing | 1.53Å | 1.55Å | |
| C55 | O60 | sing | 1.43Å | 1.47Å | |
| C56 | C57 | sing | 1.53Å | 1.49Å | |
| C56 | O76 | sing | 1.43Å | 1.41Å | |
| C57 | C58 | sing | 1.53Å | 1.48Å | |
| C57 | O64 | sing | 1.43Å | 1.42Å | |
| C58 | C59 | sing | 1.53Å | 1.55Å | |
| C58 | O63 | sing | 1.43Å | 1.41Å | |
| C59 | O60 | sing | 1.43Å | 1.49Å | |
| C59 | C61 | sing | 1.53Å | 1.55Å | |
| C61 | O62 | sing | 1.43Å | 1.41Å | |
| O64 | C65 | sing | 1.43Å | 1.46Å | |
| C65 | C66 | sing | 1.53Å | 1.54Å | |
| C65 | O70 | sing | 1.43Å | 1.47Å | |
| C66 | C67 | sing | 1.53Å | 1.48Å | |
| C66 | O75 | sing | 1.43Å | 1.41Å | |
| C67 | C68 | sing | 1.53Å | 1.48Å | |
| C67 | O74 | sing | 1.43Å | 1.41Å | |
| C68 | C69 | sing | 1.53Å | 1.54Å | |
| C68 | O73 | sing | 1.43Å | 1.41Å | |
| C69 | O70 | sing | 1.43Å | 1.48Å | |
| C69 | C71 | sing | 1.53Å | 1.55Å | |
| C71 | O72 | sing | 1.43Å | 1.41Å | |
| O84 | C85 | sing | 1.43Å | 1.47Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.10Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.11Å | 1.10Å | |
| C08 | H11 | sing | 1.10Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.10Å | 1.10Å | |
| C14 | H18 | sing | 1.10Å | 1.10Å | |
| C14 | H19 | sing | 1.10Å | 1.10Å | |
| C15 | H20 | sing | 1.13Å | 1.10Å | |
| C16 | H21 | sing | 1.12Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.10Å | 1.10Å | |
| C18 | H24 | sing | 1.10Å | 1.10Å | |
| C18 | H25 | sing | 1.08Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| O33 | H40 | sing | 0.97Å | 0.95Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H44 | sing | 1.09Å | 1.10Å | |
| C39 | H45 | sing | 1.09Å | 1.10Å | |
| C41 | H46 | sing | 1.09Å | 1.10Å | |
| C41 | H47 | sing | 1.09Å | 1.10Å | |
| O42 | H48 | sing | 0.97Å | 0.95Å | |
| O43 | H49 | sing | 0.97Å | 0.95Å | |
| C45 | H50 | sing | 1.09Å | 1.10Å | |
| C46 | H51 | sing | 1.09Å | 1.10Å | |
| C47 | H52 | sing | 1.09Å | 1.10Å | |
| C48 | H53 | sing | 1.09Å | 1.10Å | |
| C49 | H54 | sing | 1.09Å | 1.10Å | |
| C49 | H55 | sing | 1.09Å | 1.10Å | |
| O51 | H56 | sing | 0.97Å | 0.95Å | |
| O52 | H57 | sing | 0.97Å | 0.95Å | |
| O53 | H58 | sing | 0.97Å | 0.95Å | |
| C55 | H59 | sing | 1.09Å | 1.10Å | |
| C56 | H60 | sing | 1.09Å | 1.10Å | |
| C57 | H61 | sing | 1.09Å | 1.10Å | |
| C58 | H62 | sing | 1.09Å | 1.10Å | |
| C59 | H63 | sing | 1.09Å | 1.10Å | |
| C61 | H64 | sing | 1.09Å | 1.10Å | |
| C61 | H65 | sing | 1.09Å | 1.10Å | |
| O62 | H66 | sing | 0.97Å | 0.95Å | |
| O63 | H67 | sing | 0.97Å | 0.95Å | |
| C65 | H68 | sing | 1.09Å | 1.10Å | |
| C66 | H69 | sing | 1.09Å | 1.10Å | |
| C67 | H70 | sing | 1.09Å | 1.10Å | |
| C68 | H71 | sing | 1.09Å | 1.10Å | |
| C69 | H72 | sing | 1.09Å | 1.10Å | |
| C71 | H73 | sing | 1.09Å | 1.10Å | |
| C71 | H74 | sing | 1.09Å | 1.10Å | |
| O72 | H75 | sing | 0.97Å | 0.95Å | |
| O73 | H76 | sing | 0.97Å | 0.95Å | |
| O74 | H77 | sing | 0.97Å | 0.95Å | |
| O75 | H78 | sing | 0.97Å | 0.95Å | |
| O76 | H79 | sing | 0.97Å | 0.95Å | |
| O77 | H80 | sing | 0.97Å | 0.95Å | |
| O78 | H81 | sing | 0.97Å | 0.95Å | |
| O79 | H82 | sing | 0.97Å | 0.95Å | |
| C80 | H83 | sing | 1.09Å | 1.10Å | |
| C80 | H84 | sing | 1.09Å | 1.10Å | |
| C80 | H85 | sing | 1.09Å | 1.10Å | |
| C81 | H86 | sing | 1.09Å | 1.10Å | |
| C81 | H87 | sing | 1.09Å | 1.10Å | |
| C81 | H88 | sing | 1.09Å | 1.10Å | |
| O82 | H89 | sing | 0.97Å | 0.95Å | |
| C83 | H90 | sing | 1.09Å | 1.10Å | |
| C83 | H91 | sing | 1.09Å | 1.10Å | |
| C83 | H92 | sing | 1.09Å | 1.10Å | |
| C85 | H93 | sing | 1.09Å | 1.10Å | |
| C85 | H94 | sing | 1.09Å | 1.10Å | |
| C12 | C11 | sing | 1.53Å | 1.72Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 108.9° | 110.2° |
| C01 | C02 | C85 | 108.9° | 110.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.6° | 108.9° |
| C03 | C02 | C85 | 112.1° | 110.3° |
| C02 | C03 | C04 | 112.0° | 110.3° |
| C03 | C02 | H4 | 109.6° | 108.8° |
| C02 | C03 | H5 | 108.8° | 109.7° |
| C02 | C03 | H6 | 108.8° | 109.7° |
| C02 | C85 | O84 | 112.1° | 110.2° |
| C85 | C02 | H4 | 108.8° | 108.6° |
| C02 | C85 | H93 | 108.8° | 109.6° |
| C02 | C85 | H94 | 108.8° | 109.5° |
| C03 | C04 | C05 | 112.0° | 108.7° |
| C04 | C03 | H5 | 108.8° | 109.2° |
| C04 | C03 | H6 | 108.8° | 109.3° |
| C03 | C04 | H7 | 108.9° | 110.0° |
| C03 | C04 | H8 | 108.9° | 109.6° |
| C04 | C05 | C06 | 144.7° | 110.6° |
| C04 | C05 | O09 | 104.0° | 110.5° |
| C04 | C05 | O84 | 111.5° | 109.4° |
| C05 | C04 | H7 | 108.8° | 109.7° |
| C05 | C04 | H8 | 108.8° | 110.3° |
| C06 | C05 | O09 | 106.1° | 105.7° |
| C06 | C05 | O84 | 98.0° | 110.9° |
| C05 | C06 | C07 | 107.5° | 104.8° |
| C05 | C06 | C83 | 114.5° | 109.7° |
| C05 | C06 | H9 | 105.8° | 111.3° |
| O09 | C05 | O84 | 64.1° | 109.7° |
| C05 | O09 | C08 | 106.7° | 105.1° |
| C05 | O84 | C85 | 112.1° | 113.1° |
| C07 | C06 | C83 | 111.6° | 109.7° |
| C06 | C07 | C08 | 106.1° | 102.5° |
| C06 | C07 | C12 | 118.8° | 113.1° |
| C07 | C06 | H9 | 110.3° | 112.3° |
| C06 | C07 | H10 | 110.2° | 112.2° |
| C83 | C06 | H9 | 107.0° | 108.9° |
| C06 | C83 | H90 | 109.5° | 109.5° |
| C06 | C83 | H91 | 109.4° | 109.5° |
| C06 | C83 | H92 | 109.5° | 109.5° |
| C08 | C07 | C12 | 105.4° | 103.0° |
| C07 | C08 | O09 | 105.9° | 104.1° |
| C07 | C08 | C10 | 105.2° | 105.5° |
| C08 | C07 | H10 | 106.4° | 113.2° |
| C07 | C08 | H11 | 109.0° | 113.0° |
| C07 | C12 | C13 | 114.4° | 116.3° |
| C07 | C12 | C81 | 109.3° | 112.2° |
| C12 | C07 | H10 | 109.2° | 112.1° |
| C07 | C12 | C11 | 105.6° | 101.3° |
| O09 | C08 | C10 | 118.6° | 109.8° |
| O09 | C08 | H11 | 109.5° | 111.7° |
| C08 | C10 | C11 | 104.3° | 106.0° |
| C08 | C10 | O82 | 110.2° | 110.1° |
| C10 | C08 | H11 | 108.3° | 112.2° |
| C08 | C10 | H12 | 108.0° | 110.8° |
| C11 | C10 | O82 | 110.2° | 109.7° |
| C10 | C11 | C16 | 126.1° | 120.0° |
| C11 | C10 | H12 | 112.5° | 109.7° |
| C10 | C11 | H13 | 105.7° | 105.7° |
| C10 | C11 | C12 | 104.8° | 104.3° |
| O82 | C10 | H12 | 111.3° | 110.4° |
| C10 | O82 | H89 | 109.5° | 114.0° |
| C11 | C16 | C15 | 111.5° | 111.4° |
| C11 | C16 | C17 | 104.9° | 112.6° |
| C16 | C11 | H13 | 103.7° | 108.9° |
| C11 | C16 | H21 | 109.7° | 108.0° |
| C16 | C11 | C12 | 111.7° | 110.0° |
| C13 | C12 | C81 | 107.7° | 109.3° |
| C12 | C13 | C14 | 112.2° | 109.0° |
| C12 | C13 | H16 | 108.8° | 110.0° |
| C12 | C13 | H17 | 108.8° | 108.1° |
| C13 | C12 | C11 | 112.2° | 105.9° |
| C12 | C81 | H86 | 109.5° | 109.4° |
| C12 | C81 | H87 | 109.4° | 109.5° |
| C12 | C81 | H88 | 109.5° | 109.5° |
| C81 | C12 | C11 | 107.4° | 111.4° |
| C13 | C14 | C15 | 112.2° | 115.5° |
| C14 | C13 | H16 | 108.8° | 112.2° |
| C14 | C13 | H17 | 108.8° | 109.4° |
| C13 | C14 | H18 | 108.8° | 108.1° |
| C13 | C14 | H19 | 108.8° | 109.6° |
| C14 | C15 | C16 | 111.8° | 113.8° |
| C14 | C15 | C20 | 104.8° | 111.7° |
| C15 | C14 | H18 | 108.8° | 108.7° |
| C15 | C14 | H19 | 108.8° | 108.9° |
| C14 | C15 | H20 | 108.7° | 104.0° |
| C16 | C15 | C20 | 112.0° | 116.2° |
| C15 | C16 | C17 | 112.2° | 113.7° |
| C16 | C15 | H20 | 109.5° | 104.5° |
| C15 | C16 | H21 | 108.9° | 106.9° |
| C15 | C20 | C19 | 111.8° | 111.3° |
| C15 | C20 | C21 | 107.5° | 109.8° |
| C15 | C20 | C80 | 108.4° | 111.9° |
| C20 | C15 | H20 | 110.0° | 105.2° |
| C16 | C17 | C18 | 112.2° | 111.5° |
| C17 | C16 | H21 | 109.6° | 103.7° |
| C16 | C17 | H22 | 108.8° | 109.7° |
| C16 | C17 | H23 | 108.8° | 108.9° |
| C17 | C18 | C19 | 112.1° | 108.4° |
| C18 | C17 | H22 | 108.8° | 109.9° |
| C18 | C17 | H23 | 108.8° | 108.9° |
| C17 | C18 | H24 | 108.8° | 109.1° |
| C17 | C18 | H25 | 108.8° | 110.5° |
| C18 | C19 | C20 | 112.0° | 109.1° |
| C18 | C19 | C24 | 107.2° | 109.0° |
| C19 | C18 | H24 | 108.8° | 108.7° |
| C19 | C18 | H25 | 108.8° | 111.3° |
| C18 | C19 | H26 | 107.9° | 109.4° |
| C20 | C19 | C24 | 112.4° | 110.3° |
| C19 | C20 | C21 | 112.2° | 108.3° |
| C19 | C20 | C80 | 108.4° | 108.6° |
| C20 | C19 | H26 | 108.6° | 109.5° |
| C19 | C24 | C23 | 112.2° | 110.0° |
| C24 | C19 | H26 | 108.5° | 109.5° |
| C19 | C24 | H31 | 108.8° | 109.9° |
| C19 | C24 | H32 | 108.8° | 109.4° |
| C21 | C20 | C80 | 108.5° | 106.8° |
| C20 | C21 | C22 | 112.4° | 110.9° |
| C20 | C21 | H27 | 108.8° | 108.7° |
| C20 | C21 | H28 | 108.7° | 109.6° |
| C20 | C80 | H83 | 109.5° | 109.5° |
| C20 | C80 | H84 | 109.5° | 109.5° |
| C20 | C80 | H85 | 109.4° | 109.5° |
| C21 | C22 | C23 | 112.2° | 109.2° |
| C21 | C22 | O79 | 108.8° | 109.6° |
| C22 | C21 | H27 | 108.7° | 109.2° |
| C22 | C21 | H28 | 108.8° | 109.9° |
| C21 | C22 | H29 | 108.3° | 110.6° |
| C23 | C22 | O79 | 108.9° | 109.1° |
| C22 | C23 | C24 | 112.0° | 108.6° |
| C22 | C23 | O25 | 108.9° | 109.7° |
| C23 | C22 | H29 | 108.4° | 109.6° |
| C22 | C23 | H30 | 108.7° | 109.7° |
| O79 | C22 | H29 | 110.2° | 108.7° |
| C22 | O79 | H82 | 109.5° | 114.0° |
| C24 | C23 | O25 | 108.9° | 109.6° |
| C24 | C23 | H30 | 108.6° | 109.5° |
| C23 | C24 | H31 | 108.8° | 109.0° |
| C23 | C24 | H32 | 108.8° | 109.6° |
| C23 | O25 | C26 | 109.6° | 114.0° |
| O25 | C23 | H30 | 109.7° | 109.7° |
| O25 | C26 | C27 | 108.8° | 109.5° |
| O25 | C26 | O31 | 108.9° | 109.5° |
| O25 | C26 | H33 | 109.5° | 109.5° |
| C27 | C26 | O31 | 112.1° | 109.4° |
| C26 | C27 | C28 | 111.8° | 109.2° |
| C26 | C27 | O78 | 108.9° | 109.5° |
| C27 | C26 | H33 | 108.3° | 109.5° |
| C26 | C27 | H34 | 108.2° | 109.5° |
| C26 | O31 | C30 | 112.1° | 114.1° |
| O31 | C26 | H33 | 109.2° | 109.4° |
| C28 | C27 | O78 | 108.9° | 109.5° |
| C27 | C28 | C29 | 111.6° | 109.0° |
| C27 | C28 | O77 | 108.5° | 109.5° |
| C28 | C27 | H34 | 109.0° | 109.5° |
| C27 | C28 | H35 | 108.8° | 109.5° |
| O78 | C27 | H34 | 110.0° | 109.5° |
| C27 | O78 | H81 | 109.5° | 113.9° |
| C29 | C28 | O77 | 109.4° | 109.5° |
| C28 | C29 | C30 | 111.9° | 109.2° |
| C28 | C29 | O34 | 109.5° | 109.5° |
| C29 | C28 | H35 | 108.8° | 109.6° |
| C28 | C29 | H36 | 108.7° | 109.5° |
| O77 | C28 | H35 | 109.8° | 109.7° |
| C28 | O77 | H80 | 109.5° | 114.0° |
| C30 | C29 | O34 | 110.1° | 109.6° |
| C29 | C30 | O31 | 112.1° | 109.4° |
| C29 | C30 | C32 | 110.1° | 109.5° |
| C30 | C29 | H36 | 107.9° | 109.5° |
| C29 | C30 | H37 | 108.2° | 109.5° |
| C29 | O34 | C35 | 109.6° | 114.0° |
| O34 | C29 | H36 | 108.7° | 109.6° |
| O31 | C30 | C32 | 109.1° | 109.5° |
| O31 | C30 | H37 | 109.1° | 109.5° |
| C30 | C32 | O33 | 108.3° | 109.5° |
| C32 | C30 | H37 | 108.1° | 109.5° |
| C30 | C32 | H38 | 109.8° | 109.5° |
| C30 | C32 | H39 | 109.7° | 109.5° |
| O33 | C32 | H38 | 109.8° | 109.5° |
| O33 | C32 | H39 | 109.8° | 109.4° |
| C32 | O33 | H40 | 109.5° | 114.1° |
| O34 | C35 | C36 | 109.1° | 109.5° |
| O34 | C35 | O40 | 109.0° | 109.5° |
| O34 | C35 | H41 | 109.2° | 109.5° |
| C36 | C35 | O40 | 112.2° | 109.4° |
| C35 | C36 | C37 | 112.2° | 109.2° |
| C35 | C36 | O54 | 109.0° | 109.5° |
| C36 | C35 | H41 | 108.1° | 109.5° |
| C35 | C36 | H42 | 108.2° | 109.5° |
| C35 | O40 | C39 | 112.5° | 114.1° |
| O40 | C35 | H41 | 109.2° | 109.5° |
| C37 | C36 | O54 | 109.0° | 109.5° |
| C36 | C37 | C38 | 112.0° | 109.0° |
| C36 | C37 | O44 | 108.8° | 109.6° |
| C37 | C36 | H42 | 109.2° | 109.5° |
| C36 | C37 | H43 | 108.9° | 109.6° |
| C36 | O54 | C55 | 109.6° | 114.0° |
| O54 | C36 | H42 | 109.1° | 109.6° |
| C38 | C37 | O44 | 108.9° | 109.5° |
| C37 | C38 | C39 | 112.1° | 109.2° |
| C37 | C38 | O43 | 109.0° | 109.5° |
| C38 | C37 | H43 | 109.0° | 109.5° |
| C37 | C38 | H44 | 109.0° | 109.5° |
| C37 | O44 | C45 | 109.6° | 114.0° |
| O44 | C37 | H43 | 109.3° | 109.6° |
| C39 | C38 | O43 | 108.8° | 109.5° |
| C38 | C39 | O40 | 112.3° | 109.4° |
| C38 | C39 | C41 | 109.0° | 109.5° |
| C39 | C38 | H44 | 108.0° | 109.5° |
| C38 | C39 | H45 | 108.5° | 109.5° |
| O43 | C38 | H44 | 109.9° | 109.6° |
| C38 | O43 | H49 | 109.5° | 114.0° |
| O40 | C39 | C41 | 109.1° | 109.5° |
| O40 | C39 | H45 | 109.4° | 109.5° |
| C39 | C41 | O42 | 108.4° | 109.4° |
| C41 | C39 | H45 | 108.6° | 109.5° |
| C39 | C41 | H46 | 109.8° | 109.4° |
| C39 | C41 | H47 | 109.8° | 109.5° |
| O42 | C41 | H46 | 109.7° | 109.5° |
| O42 | C41 | H47 | 109.7° | 109.5° |
| C41 | O42 | H48 | 109.5° | 114.0° |
| O44 | C45 | C46 | 108.9° | 109.5° |
| O44 | C45 | O50 | 108.9° | 109.5° |
| O44 | C45 | H50 | 109.4° | 109.5° |
| C46 | C45 | O50 | 112.1° | 109.4° |
| C45 | C46 | C47 | 112.0° | 109.2° |
| C45 | C46 | O53 | 108.8° | 109.5° |
| C46 | C45 | H50 | 108.4° | 109.4° |
| C45 | C46 | H51 | 108.2° | 109.5° |
| C45 | O50 | C49 | 112.1° | 114.1° |
| O50 | C45 | H50 | 109.2° | 109.5° |
| C47 | C46 | O53 | 108.9° | 109.5° |
| C46 | C47 | C48 | 112.1° | 109.1° |
| C46 | C47 | O52 | 109.0° | 109.6° |
| C47 | C46 | H51 | 109.0° | 109.5° |
| C46 | C47 | H52 | 108.6° | 109.5° |
| O53 | C46 | H51 | 109.9° | 109.5° |
| C46 | O53 | H58 | 109.5° | 114.0° |
| C48 | C47 | O52 | 108.9° | 109.5° |
| C47 | C48 | C49 | 112.1° | 109.1° |
| C47 | C48 | O51 | 108.8° | 109.5° |
| C48 | C47 | H52 | 108.7° | 109.5° |
| C47 | C48 | H53 | 109.0° | 109.5° |
| O52 | C47 | H52 | 109.5° | 109.6° |
| C47 | O52 | H57 | 109.5° | 114.1° |
| C49 | C48 | O51 | 108.9° | 109.5° |
| C48 | C49 | O50 | 112.1° | 109.4° |
| C49 | C48 | H53 | 108.1° | 109.6° |
| C48 | C49 | H54 | 108.8° | 109.5° |
| C48 | C49 | H55 | 108.8° | 109.5° |
| O51 | C48 | H53 | 109.9° | 109.6° |
| C48 | O51 | H56 | 109.5° | 114.0° |
| O50 | C49 | H54 | 108.8° | 109.5° |
| O50 | C49 | H55 | 108.8° | 109.4° |
| O54 | C55 | C56 | 109.0° | 109.5° |
| O54 | C55 | O60 | 109.1° | 109.5° |
| O54 | C55 | H59 | 109.5° | 109.6° |
| C56 | C55 | O60 | 112.2° | 109.4° |
| C55 | C56 | C57 | 112.0° | 109.2° |
| C55 | C56 | O76 | 108.8° | 109.5° |
| C56 | C55 | H59 | 108.0° | 109.5° |
| C55 | C56 | H60 | 108.2° | 109.5° |
| C55 | O60 | C59 | 112.5° | 114.1° |
| O60 | C55 | H59 | 109.0° | 109.5° |
| C57 | C56 | O76 | 108.9° | 109.5° |
| C56 | C57 | C58 | 111.9° | 109.0° |
| C56 | C57 | O64 | 109.0° | 109.5° |
| C57 | C56 | H60 | 109.0° | 109.5° |
| C56 | C57 | H61 | 108.7° | 109.5° |
| O76 | C56 | H60 | 110.0° | 109.6° |
| C56 | O76 | H79 | 109.5° | 114.0° |
| C58 | C57 | O64 | 108.9° | 109.5° |
| C57 | C58 | C59 | 112.1° | 109.2° |
| C57 | C58 | O63 | 108.9° | 109.5° |
| C58 | C57 | H61 | 108.8° | 109.6° |
| C57 | C58 | H62 | 109.0° | 109.6° |
| C57 | O64 | C65 | 109.4° | 114.0° |
| O64 | C57 | H61 | 109.5° | 109.6° |
| C59 | C58 | O63 | 108.9° | 109.5° |
| C58 | C59 | O60 | 112.3° | 109.4° |
| C58 | C59 | C61 | 109.0° | 109.5° |
| C59 | C58 | H62 | 108.1° | 109.5° |
| C58 | C59 | H63 | 108.6° | 109.5° |
| O63 | C58 | H62 | 109.9° | 109.5° |
| C58 | O63 | H67 | 109.5° | 114.0° |
| O60 | C59 | C61 | 109.1° | 109.5° |
| O60 | C59 | H63 | 109.4° | 109.5° |
| C59 | C61 | O62 | 108.3° | 109.5° |
| C61 | C59 | H63 | 108.5° | 109.5° |
| C59 | C61 | H64 | 109.7° | 109.5° |
| C59 | C61 | H65 | 109.8° | 109.4° |
| O62 | C61 | H64 | 109.8° | 109.5° |
| O62 | C61 | H65 | 109.8° | 109.4° |
| C61 | O62 | H66 | 109.5° | 114.0° |
| O64 | C65 | C66 | 108.9° | 109.5° |
| O64 | C65 | O70 | 108.9° | 109.5° |
| O64 | C65 | H68 | 109.3° | 109.5° |
| C66 | C65 | O70 | 112.1° | 109.4° |
| C65 | C66 | C67 | 112.0° | 109.2° |
| C65 | C66 | O75 | 108.9° | 109.5° |
| C66 | C65 | H68 | 108.4° | 109.5° |
| C65 | C66 | H69 | 108.2° | 109.5° |
| C65 | O70 | C69 | 112.1° | 114.1° |
| O70 | C65 | H68 | 109.2° | 109.5° |
| C67 | C66 | O75 | 108.8° | 109.6° |
| C66 | C67 | C68 | 112.0° | 109.0° |
| C66 | C67 | O74 | 108.9° | 109.6° |
| C67 | C66 | H69 | 109.0° | 109.5° |
| C66 | C67 | H70 | 108.7° | 109.5° |
| O75 | C66 | H69 | 109.9° | 109.6° |
| C66 | O75 | H78 | 109.5° | 114.0° |
| C68 | C67 | O74 | 108.8° | 109.6° |
| C67 | C68 | C69 | 112.1° | 109.2° |
| C67 | C68 | O73 | 108.9° | 109.5° |
| C68 | C67 | H70 | 108.8° | 109.6° |
| C67 | C68 | H71 | 108.9° | 109.6° |
| O74 | C67 | H70 | 109.6° | 109.6° |
| C67 | O74 | H77 | 109.5° | 114.0° |
| C69 | C68 | O73 | 108.9° | 109.5° |
| C68 | C69 | O70 | 112.1° | 109.4° |
| C68 | C69 | C71 | 108.9° | 109.5° |
| C69 | C68 | H71 | 108.2° | 109.5° |
| C68 | C69 | H72 | 108.7° | 109.5° |
| O73 | C68 | H71 | 109.9° | 109.6° |
| C68 | O73 | H76 | 109.5° | 114.0° |
| O70 | C69 | C71 | 108.9° | 109.4° |
| O70 | C69 | H72 | 109.6° | 109.5° |
| C69 | C71 | O72 | 108.3° | 109.5° |
| C71 | C69 | H72 | 108.5° | 109.5° |
| C69 | C71 | H73 | 109.8° | 109.4° |
| C69 | C71 | H74 | 109.7° | 109.5° |
| O72 | C71 | H73 | 109.7° | 109.5° |
| O72 | C71 | H74 | 109.8° | 109.5° |
| C71 | O72 | H75 | 109.5° | 113.9° |
| O84 | C85 | H93 | 108.8° | 109.4° |
| O84 | C85 | H94 | 108.8° | 109.1° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H5 | C03 | H6 | 109.5° | 108.7° |
| H7 | C04 | H8 | 109.4° | 108.5° |
| H13 | C11 | C12 | 102.2° | 107.2° |
| H16 | C13 | H17 | 109.5° | 108.0° |
| H18 | C14 | H19 | 109.5° | 105.5° |
| H22 | C17 | H23 | 109.5° | 107.9° |
| H24 | C18 | H25 | 109.4° | 108.7° |
| H27 | C21 | H28 | 109.5° | 108.5° |
| H31 | C24 | H32 | 109.5° | 109.0° |
| H38 | C32 | H39 | 109.5° | 109.4° |
| H46 | C41 | H47 | 109.5° | 109.5° |
| H54 | C49 | H55 | 109.5° | 109.6° |
| H64 | C61 | H65 | 109.5° | 109.5° |
| H73 | C71 | H74 | 109.5° | 109.4° |
| H83 | C80 | H84 | 109.5° | 109.5° |
| H83 | C80 | H85 | 109.5° | 109.4° |
| H84 | C80 | H85 | 109.5° | 109.4° |
| H86 | C81 | H87 | 109.5° | 109.4° |
| H86 | C81 | H88 | 109.5° | 109.5° |
| H87 | C81 | H88 | 109.4° | 109.5° |
| H90 | C83 | H91 | 109.5° | 109.4° |
| H90 | C83 | H92 | 109.4° | 109.5° |
| H91 | C83 | H92 | 109.5° | 109.5° |
| H93 | C85 | H94 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C85 | 120.5° | 121.6° |
| C01 | C02 | C03 | H4 | 118.7° | 119.4° |
| C01 | C02 | C85 | H4 | 118.2° | 119.1° |
| C01 | C02 | C03 | C04 | 173.0° | 68.3° |
| C01 | C02 | C85 | O84 | 172.9° | 67.1° |
| C02 | C01 | H1 | H2 | 120.0° | 120.1° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H5 | 52.6° | 52.0° |
| C01 | C02 | C03 | H6 | 66.6° | 171.4° |
| C01 | C02 | C85 | H93 | 66.7° | 172.5° |
| C01 | C02 | C85 | H94 | 52.5° | 52.8° |
| C03 | C02 | C85 | H4 | 121.3° | 119.1° |
| C02 | C03 | C04 | H5 | 120.4° | 120.6° |
| C02 | C03 | C04 | H6 | 120.4° | 120.6° |
| C02 | C03 | C04 | C05 | 53.4° | 55.3° |
| C03 | C02 | C85 | O84 | 52.5° | 54.7° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 180.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C02 | C03 | H5 | H6 | 118.8° | 119.9° |
| C02 | C03 | C04 | H7 | 173.8° | 64.9° |
| C02 | C03 | C04 | H8 | 66.9° | 175.9° |
| C03 | C02 | C85 | H93 | 172.9° | 65.7° |
| C03 | C02 | C85 | H94 | 68.0° | 174.6° |
| C85 | C02 | C03 | C04 | 52.5° | 53.3° |
| C02 | C85 | O84 | C05 | 53.4° | 60.9° |
| C02 | C85 | O84 | H93 | 120.4° | 120.5° |
| C02 | C85 | O84 | H94 | 120.4° | 120.2° |
| C85 | C02 | C01 | H1 | 57.6° | 61.8° |
| C85 | C02 | C01 | H2 | 177.6° | 58.2° |
| C85 | C02 | C01 | H3 | 62.4° | 178.2° |
| C85 | C02 | C03 | H5 | 67.9° | 173.7° |
| C85 | C02 | C03 | H6 | 172.9° | 67.0° |
| C02 | C85 | H93 | H94 | 118.8° | 119.9° |
| C03 | C04 | C05 | H7 | 120.4° | 120.3° |
| C03 | C04 | C05 | H8 | 120.4° | 120.2° |
| C03 | C04 | C05 | C06 | 90.7° | 178.5° |
| C03 | C04 | C05 | O09 | 121.3° | 61.8° |
| C03 | C04 | C05 | O84 | 54.0° | 59.1° |
| C04 | C03 | C02 | H4 | 68.3° | 172.3° |
| C04 | C03 | H5 | H6 | 118.8° | 119.1° |
| C03 | C04 | H7 | H8 | 118.9° | 119.9° |
| C04 | C05 | C06 | O09 | 147.7° | 119.7° |
| C04 | C05 | C06 | O84 | 147.1° | 121.5° |
| C04 | C05 | O09 | O84 | 107.3° | 120.7° |
| C04 | C05 | C06 | C07 | 117.6° | 132.9° |
| C04 | C05 | C06 | C83 | 117.8° | 109.3° |
| C04 | C05 | O09 | C08 | 138.7° | 155.2° |
| C04 | C05 | O84 | C85 | 54.0° | 63.4° |
| C05 | C04 | C03 | H5 | 66.9° | 175.9° |
| C05 | C04 | C03 | H6 | 173.8° | 65.3° |
| C05 | C04 | H7 | H8 | 118.8° | 120.6° |
| C04 | C05 | C06 | H9 | 0.2° | 11.3° |
| C06 | C05 | O09 | O84 | 91.2° | 119.6° |
| C05 | C06 | C07 | C83 | 126.3° | 117.7° |
| C05 | C06 | C07 | H9 | 114.9° | 121.0° |
| C05 | C06 | C83 | H9 | 116.9° | 122.1° |
| C05 | C06 | C07 | C08 | 21.0° | 12.1° |
| C05 | C06 | C07 | C12 | 97.3° | 98.1° |
| C06 | C05 | O09 | C08 | 22.7° | 35.5° |
| C06 | C05 | O84 | C85 | 106.4° | 174.3° |
| C06 | C05 | C04 | H7 | 29.7° | 61.1° |
| C06 | C05 | C04 | H8 | 148.9° | 58.3° |
| C05 | C06 | C07 | H10 | 135.8° | 133.8° |
| C05 | C06 | C83 | H90 | 180.0° | 61.5° |
| C05 | C06 | C83 | H91 | 60.0° | 178.5° |
| C05 | C06 | C83 | H92 | 60.0° | 58.5° |
| O09 | C05 | C06 | C07 | 30.0° | 13.2° |
| O09 | C05 | C06 | C83 | 94.6° | 131.0° |
| C05 | O09 | C08 | C07 | 11.4° | 43.7° |
| C05 | O09 | C08 | C10 | 106.3° | 156.2° |
| O09 | C05 | O84 | C85 | 149.6° | 57.9° |
| O09 | C05 | C04 | H7 | 118.3° | 177.9° |
| O09 | C05 | C04 | H8 | 0.9° | 58.4° |
| O09 | C05 | C06 | H9 | 147.8° | 108.4° |
| C05 | O09 | C08 | H11 | 128.8° | 78.6° |
| O84 | C05 | C06 | C07 | 95.2° | 105.6° |
| O84 | C05 | C06 | C83 | 29.4° | 12.2° |
| O84 | C05 | O09 | C08 | 114.0° | 84.1° |
| O84 | C05 | C04 | H7 | 174.4° | 61.2° |
| O84 | C05 | C04 | H8 | 66.4° | 179.3° |
| O84 | C05 | C06 | H9 | 146.9° | 132.8° |
| C05 | O84 | C85 | H93 | 173.7° | 59.6° |
| C05 | O84 | C85 | H94 | 67.0° | 178.8° |
| C07 | C06 | C83 | H9 | 120.7° | 123.3° |
| C06 | C07 | C08 | C12 | 126.8° | 117.6° |
| C06 | C07 | C08 | H10 | 117.3° | 121.1° |
| C06 | C07 | C12 | H10 | 127.4° | 128.2° |
| C06 | C07 | C08 | O09 | 8.3° | 33.7° |
| C06 | C07 | C08 | C10 | 134.6° | 149.3° |
| C06 | C07 | C12 | C13 | 91.5° | 91.8° |
| C06 | C07 | C12 | C81 | 29.4° | 35.0° |
| C06 | C07 | C08 | H11 | 109.5° | 87.7° |
| C07 | C06 | C83 | H90 | 57.6° | 176.2° |
| C07 | C06 | C83 | H91 | 62.4° | 63.9° |
| C07 | C06 | C83 | H92 | 177.6° | 56.1° |
| C06 | C07 | C12 | C11 | 144.6° | 153.9° |
| C83 | C06 | C07 | C08 | 105.3° | 105.6° |
| C83 | C06 | C07 | C12 | 136.4° | 144.2° |
| C83 | C06 | C07 | H10 | 9.4° | 16.1° |
| C06 | C83 | H90 | H91 | 120.0° | 120.0° |
| C06 | C83 | H90 | H92 | 120.0° | 120.1° |
| C06 | C83 | H91 | H92 | 120.0° | 120.0° |
| C08 | C07 | C12 | H10 | 113.9° | 122.0° |
| C07 | C08 | O09 | C10 | 117.7° | 112.5° |
| C07 | C08 | O09 | H11 | 117.3° | 122.3° |
| C07 | C08 | C10 | H11 | 116.4° | 123.5° |
| C07 | C08 | C10 | C11 | 19.1° | 6.7° |
| C07 | C08 | C10 | O82 | 137.4° | 111.8° |
| C08 | C07 | C12 | C13 | 149.8° | 158.4° |
| C08 | C07 | C12 | C81 | 89.3° | 74.8° |
| C08 | C07 | C06 | H9 | 135.8° | 133.1° |
| C07 | C08 | C10 | H12 | 100.8° | 125.6° |
| C08 | C07 | C12 | C11 | 25.9° | 44.1° |
| C12 | C07 | C08 | O09 | 118.6° | 84.0° |
| C12 | C07 | C08 | C10 | 7.7° | 31.6° |
| C07 | C12 | C11 | C10 | 41.1° | 40.0° |
| C07 | C12 | C11 | C16 | 179.3° | 169.9° |
| C07 | C12 | C13 | C81 | 121.8° | 128.2° |
| C07 | C12 | C13 | C11 | 120.3° | 111.7° |
| C07 | C12 | C81 | C11 | 114.1° | 112.8° |
| C07 | C12 | C13 | C14 | 118.0° | 174.5° |
| C12 | C07 | C06 | H9 | 17.6° | 22.9° |
| C12 | C07 | C08 | H11 | 123.7° | 154.6° |
| C07 | C12 | C11 | H13 | 69.0° | 71.8° |
| C07 | C12 | C13 | H16 | 2.4° | 51.2° |
| C07 | C12 | C13 | H17 | 121.6° | 66.6° |
| C07 | C12 | C81 | H86 | 180.0° | 58.6° |
| C07 | C12 | C81 | H87 | 60.0° | 178.6° |
| C07 | C12 | C81 | H88 | 60.0° | 61.4° |
| O09 | C08 | C10 | H11 | 125.5° | 124.9° |
| O09 | C08 | C10 | C11 | 137.1° | 104.9° |
| O09 | C08 | C10 | O82 | 104.5° | 136.6° |
| O09 | C08 | C07 | H10 | 125.6° | 154.8° |
| O09 | C08 | C10 | H12 | 17.3° | 14.1° |
| C08 | C10 | C11 | O82 | 118.3° | 118.9° |
| C08 | C10 | C11 | H12 | 116.8° | 119.7° |
| C08 | C10 | O82 | H12 | 119.8° | 122.8° |
| C08 | C10 | C11 | C16 | 164.8° | 144.4° |
| C10 | C08 | C07 | H10 | 108.1° | 89.6° |
| C08 | C10 | C11 | H13 | 74.5° | 92.2° |
| C08 | C10 | O82 | H89 | 180.0° | 61.4° |
| C08 | C10 | C11 | C12 | 33.1° | 20.7° |
| C11 | C10 | O82 | H12 | 125.6° | 121.0° |
| C10 | C11 | C16 | H13 | 121.6° | 121.8° |
| C10 | C11 | C16 | C12 | 129.1° | 120.9° |
| C10 | C11 | C12 | C13 | 166.4° | 161.8° |
| C10 | C11 | C12 | C81 | 75.4° | 79.5° |
| C10 | C11 | C16 | C15 | 175.8° | 179.7° |
| C10 | C11 | C16 | C17 | 54.2° | 51.2° |
| C11 | C10 | C08 | H11 | 97.3° | 130.2° |
| C10 | C11 | H13 | C12 | 109.4° | 110.9° |
| C10 | C11 | C16 | H21 | 63.4° | 62.6° |
| C11 | C10 | O82 | H89 | 65.4° | 177.7° |
| O82 | C10 | C11 | C16 | 76.9° | 96.7° |
| O82 | C10 | C08 | H11 | 21.0° | 11.7° |
| O82 | C10 | C11 | H13 | 43.8° | 26.6° |
| O82 | C10 | C11 | C12 | 151.4° | 139.6° |
| C16 | C11 | C12 | C13 | 54.0° | 68.2° |
| C16 | C11 | C12 | C81 | 64.1° | 50.5° |
| C11 | C16 | C15 | C14 | 4.4° | 44.0° |
| C11 | C16 | C15 | C17 | 117.3° | 128.5° |
| C11 | C16 | C15 | H21 | 121.2° | 117.8° |
| C11 | C16 | C15 | C20 | 112.9° | 87.8° |
| C11 | C16 | C17 | H21 | 117.7° | 116.4° |
| C11 | C16 | C17 | C18 | 66.1° | 80.4° |
| C16 | C11 | C10 | H12 | 48.0° | 24.7° |
| C16 | C11 | H13 | C12 | 116.2° | 119.0° |
| C11 | C16 | C15 | H20 | 124.9° | 156.8° |
| C11 | C16 | C17 | H22 | 173.6° | 157.6° |
| C11 | C16 | C17 | H23 | 54.3° | 39.8° |
| C13 | C12 | C81 | C11 | 121.1° | 116.7° |
| C12 | C13 | C14 | H16 | 120.4° | 122.0° |
| C12 | C13 | C14 | H17 | 120.4° | 118.0° |
| C12 | C13 | C14 | C15 | 53.0° | 51.4° |
| C13 | C12 | C07 | H10 | 35.9° | 36.4° |
| C13 | C12 | C11 | H13 | 56.2° | 50.0° |
| C12 | C13 | H16 | H17 | 118.8° | 117.8° |
| C12 | C13 | C14 | H18 | 67.4° | 173.4° |
| C12 | C13 | C14 | H19 | 173.4° | 72.1° |
| C13 | C12 | C81 | H86 | 55.1° | 170.9° |
| C13 | C12 | C81 | H87 | 64.9° | 50.9° |
| C13 | C12 | C81 | H88 | 175.2° | 69.1° |
| C81 | C12 | C13 | C14 | 120.2° | 57.2° |
| C81 | C12 | C07 | H10 | 156.8° | 163.2° |
| C81 | C12 | C11 | H13 | 174.4° | 168.7° |
| C81 | C12 | C13 | H16 | 119.3° | 179.4° |
| C81 | C12 | C13 | H17 | 0.2° | 61.6° |
| C12 | C81 | H86 | H87 | 120.0° | 120.0° |
| C12 | C81 | H86 | H88 | 120.0° | 120.0° |
| C12 | C81 | H87 | H88 | 120.0° | 120.1° |
| C13 | C14 | C15 | H18 | 120.4° | 121.7° |
| C13 | C14 | C15 | H19 | 120.4° | 123.9° |
| C13 | C14 | C15 | C16 | 51.4° | 41.6° |
| C13 | C14 | C15 | C20 | 172.9° | 92.3° |
| C14 | C13 | H16 | H17 | 118.7° | 120.7° |
| C13 | C14 | H18 | H19 | 118.8° | 117.2° |
| C13 | C14 | C15 | H20 | 69.6° | 154.7° |
| C14 | C13 | C12 | C11 | 2.3° | 62.9° |
| C14 | C15 | C16 | C20 | 117.3° | 131.8° |
| C14 | C15 | C16 | H20 | 120.5° | 112.8° |
| C14 | C15 | C20 | H20 | 116.7° | 112.2° |
| C14 | C15 | C16 | C17 | 121.7° | 172.5° |
| C14 | C15 | C20 | C19 | 70.6° | 178.4° |
| C14 | C15 | C20 | C21 | 165.9° | 61.7° |
| C14 | C15 | C20 | C80 | 48.8° | 56.7° |
| C15 | C14 | C13 | H16 | 173.4° | 70.7° |
| C15 | C14 | C13 | H17 | 67.4° | 169.4° |
| C15 | C14 | H18 | H19 | 118.8° | 116.7° |
| C14 | C15 | C16 | H21 | 116.9° | 73.8° |
| C16 | C15 | C20 | H20 | 121.9° | 115.0° |
| C15 | C16 | C17 | H21 | 121.1° | 115.7° |
| C15 | C16 | C17 | C18 | 55.1° | 47.5° |
| C16 | C15 | C20 | C19 | 50.7° | 45.6° |
| C16 | C15 | C20 | C21 | 72.8° | 165.5° |
| C16 | C15 | C20 | C80 | 170.2° | 76.1° |
| C15 | C16 | C11 | H13 | 54.3° | 58.5° |
| C16 | C15 | C14 | H18 | 69.0° | 163.3° |
| C16 | C15 | C14 | H19 | 171.8° | 82.2° |
| C15 | C16 | C17 | H22 | 65.3° | 74.5° |
| C15 | C16 | C17 | H23 | 175.5° | 167.7° |
| C15 | C16 | C11 | C12 | 55.1° | 58.7° |
| C20 | C15 | C16 | C17 | 4.4° | 40.7° |
| C15 | C20 | C19 | C18 | 55.9° | 57.3° |
| C15 | C20 | C19 | C21 | 120.8° | 120.8° |
| C15 | C20 | C19 | C80 | 119.4° | 123.6° |
| C15 | C20 | C19 | C24 | 176.7° | 62.4° |
| C15 | C20 | C21 | C80 | 117.0° | 121.5° |
| C15 | C20 | C21 | C22 | 170.6° | 62.7° |
| C20 | C15 | C14 | H18 | 52.5° | 29.4° |
| C20 | C15 | C14 | H19 | 66.7° | 143.8° |
| C20 | C15 | C16 | H21 | 125.9° | 154.4° |
| C15 | C20 | C19 | H26 | 63.2° | 177.0° |
| C15 | C20 | C21 | H27 | 69.0° | 177.3° |
| C15 | C20 | C21 | H28 | 50.2° | 58.8° |
| C15 | C20 | C80 | H83 | 180.0° | 60.0° |
| C15 | C20 | C80 | H84 | 60.0° | 180.0° |
| C15 | C20 | C80 | H85 | 60.0° | 60.0° |
| C16 | C17 | C18 | H22 | 120.4° | 121.9° |
| C16 | C17 | C18 | H23 | 120.4° | 120.1° |
| C16 | C17 | C18 | C19 | 50.0° | 59.9° |
| C17 | C16 | C11 | H13 | 67.4° | 70.6° |
| C17 | C16 | C15 | H20 | 117.8° | 74.7° |
| C16 | C17 | H22 | H23 | 118.8° | 118.4° |
| C16 | C17 | C18 | H24 | 170.4° | 178.2° |
| C16 | C17 | C18 | H25 | 70.5° | 62.3° |
| C17 | C16 | C11 | C12 | 176.7° | 172.2° |
| C17 | C18 | C19 | H24 | 120.4° | 118.5° |
| C17 | C18 | C19 | H25 | 120.4° | 121.8° |
| C17 | C18 | C19 | C20 | 5.3° | 65.0° |
| C17 | C18 | C19 | C24 | 129.1° | 55.5° |
| C18 | C17 | C16 | H21 | 176.2° | 163.2° |
| C18 | C17 | H22 | H23 | 118.8° | 118.6° |
| C17 | C18 | H24 | H25 | 118.8° | 120.6° |
| C17 | C18 | C19 | H26 | 114.2° | 175.3° |
| C18 | C19 | C20 | C24 | 120.8° | 119.7° |
| C18 | C19 | C20 | H26 | 119.1° | 119.7° |
| C18 | C19 | C24 | H26 | 116.3° | 119.7° |
| C18 | C19 | C20 | C21 | 65.0° | 178.1° |
| C18 | C19 | C20 | C80 | 175.3° | 66.3° |
| C18 | C19 | C24 | C23 | 116.2° | 179.8° |
| C19 | C18 | C17 | H22 | 70.5° | 61.9° |
| C19 | C18 | C17 | H23 | 170.3° | 179.9° |
| C19 | C18 | H24 | H25 | 118.8° | 121.3° |
| C18 | C19 | C24 | H31 | 4.2° | 60.2° |
| C18 | C19 | C24 | H32 | 123.4° | 59.4° |
| C20 | C19 | C24 | H26 | 120.2° | 120.6° |
| C19 | C20 | C21 | C80 | 119.7° | 116.8° |
| C19 | C20 | C21 | C22 | 47.4° | 59.0° |
| C20 | C19 | C24 | C23 | 7.4° | 60.4° |
| C19 | C20 | C15 | H20 | 172.7° | 69.4° |
| C20 | C19 | C18 | H24 | 115.2° | 176.5° |
| C20 | C19 | C18 | H25 | 125.7° | 56.8° |
| C19 | C20 | C21 | H27 | 167.8° | 61.0° |
| C19 | C20 | C21 | H28 | 73.1° | 179.5° |
| C20 | C19 | C24 | H31 | 127.8° | 59.6° |
| C20 | C19 | C24 | H32 | 113.1° | 179.2° |
| C19 | C20 | C80 | H83 | 58.5° | 176.8° |
| C19 | C20 | C80 | H84 | 61.5° | 56.7° |
| C19 | C20 | C80 | H85 | 178.5° | 63.3° |
| C24 | C19 | C20 | C21 | 55.9° | 58.4° |
| C24 | C19 | C20 | C80 | 63.9° | 174.0° |
| C19 | C24 | C23 | C22 | 48.1° | 60.4° |
| C19 | C24 | C23 | H31 | 120.4° | 120.5° |
| C19 | C24 | C23 | H32 | 120.4° | 120.3° |
| C19 | C24 | C23 | O25 | 168.6° | 179.8° |
| C24 | C19 | C18 | H24 | 8.6° | 63.0° |
| C24 | C19 | C18 | H25 | 110.5° | 177.3° |
| C19 | C24 | C23 | H30 | 71.9° | 59.4° |
| C19 | C24 | H31 | H32 | 118.8° | 119.8° |
| C20 | C21 | C22 | H27 | 120.4° | 119.7° |
| C20 | C21 | C22 | H28 | 120.4° | 121.3° |
| C20 | C21 | C22 | C23 | 8.0° | 60.6° |
| C20 | C21 | C22 | O79 | 128.6° | 179.9° |
| C21 | C20 | C15 | H20 | 49.2° | 50.5° |
| C21 | C20 | C19 | H26 | 175.9° | 62.2° |
| C20 | C21 | H27 | H28 | 118.7° | 119.1° |
| C20 | C21 | C22 | H29 | 111.6° | 60.1° |
| C21 | C20 | C80 | H83 | 63.5° | 60.2° |
| C21 | C20 | C80 | H84 | 176.5° | 59.8° |
| C21 | C20 | C80 | H85 | 56.5° | 179.8° |
| C80 | C20 | C21 | C22 | 72.3° | 175.8° |
| C80 | C20 | C15 | H20 | 67.9° | 168.9° |
| C80 | C20 | C19 | H26 | 56.2° | 53.4° |
| C80 | C20 | C21 | H27 | 48.1° | 55.7° |
| C80 | C20 | C21 | H28 | 167.2° | 62.7° |
| C20 | C80 | H83 | H84 | 120.0° | 120.1° |
| C20 | C80 | H83 | H85 | 120.0° | 120.0° |
| C20 | C80 | H84 | H85 | 120.0° | 120.0° |
| C21 | C22 | C23 | O79 | 120.6° | 119.8° |
| C21 | C22 | C23 | H29 | 119.5° | 121.3° |
| C21 | C22 | O79 | H29 | 118.6° | 120.9° |
| C21 | C22 | C23 | C24 | 56.6° | 60.2° |
| C21 | C22 | C23 | O25 | 177.1° | 180.0° |
| C22 | C21 | H27 | H28 | 118.7° | 119.9° |
| C21 | C22 | C23 | H30 | 63.4° | 59.5° |
| C21 | C22 | O79 | H82 | 180.0° | 174.5° |
| C23 | C22 | O79 | H29 | 118.8° | 119.5° |
| C22 | C23 | C24 | O25 | 120.5° | 119.8° |
| C22 | C23 | C24 | H30 | 120.1° | 119.8° |
| C22 | C23 | O25 | H30 | 118.9° | 120.5° |
| C22 | C23 | O25 | C26 | 82.6° | 145.0° |
| C23 | C22 | C21 | H27 | 112.4° | 59.1° |
| C23 | C22 | C21 | H28 | 128.5° | 178.1° |
| C22 | C23 | C24 | H31 | 72.3° | 60.1° |
| C22 | C23 | C24 | H32 | 168.6° | 179.3° |
| C23 | C22 | O79 | H82 | 57.4° | 65.9° |
| O79 | C22 | C23 | C24 | 177.2° | 180.0° |
| O79 | C22 | C23 | O25 | 62.4° | 60.2° |
| O79 | C22 | C21 | H27 | 8.2° | 60.4° |
| O79 | C22 | C21 | H28 | 111.0° | 58.6° |
| O79 | C22 | C23 | H30 | 57.2° | 60.3° |
| C24 | C23 | O25 | H30 | 118.7° | 120.3° |
| C24 | C23 | O25 | C26 | 155.0° | 95.8° |
| C23 | C24 | C19 | H26 | 127.5° | 60.2° |
| C24 | C23 | C22 | H29 | 62.9° | 61.1° |
| C23 | C24 | H31 | H32 | 118.7° | 119.6° |
| C23 | O25 | C26 | C27 | 109.4° | 175.3° |
| C23 | O25 | C26 | O31 | 128.2° | 64.7° |
| O25 | C23 | C22 | H29 | 57.6° | 58.7° |
| O25 | C23 | C24 | H31 | 48.2° | 59.7° |
| O25 | C23 | C24 | H32 | 70.9° | 59.5° |
| C23 | O25 | C26 | H33 | 8.9° | 55.3° |
| O25 | C26 | C27 | O31 | 120.5° | 120.0° |
| O25 | C26 | C27 | H33 | 119.0° | 120.1° |
| O25 | C26 | O31 | H33 | 119.5° | 120.0° |
| O25 | C26 | C27 | C28 | 99.8° | 177.6° |
| O25 | C26 | C27 | O78 | 139.9° | 62.5° |
| O25 | C26 | O31 | C30 | 159.2° | 178.9° |
| C26 | O25 | C23 | H30 | 36.2° | 24.5° |
| O25 | C26 | C27 | H34 | 20.3° | 57.7° |
| C27 | C26 | O31 | H33 | 120.0° | 120.0° |
| C26 | C27 | C28 | O78 | 120.3° | 119.9° |
| C26 | C27 | C28 | H34 | 119.6° | 119.9° |
| C26 | C27 | O78 | H34 | 118.4° | 120.2° |
| C26 | C27 | C28 | C29 | 61.9° | 57.0° |
| C26 | C27 | C28 | O77 | 58.7° | 176.8° |
| C27 | C26 | O31 | C30 | 38.7° | 61.1° |
| C26 | C27 | C28 | H35 | 178.1° | 62.9° |
| C26 | C27 | O78 | H81 | 180.0° | 55.3° |
| O31 | C26 | C27 | C28 | 20.7° | 57.6° |
| O31 | C26 | C27 | O78 | 99.7° | 177.5° |
| C26 | O31 | C30 | C29 | 60.4° | 61.2° |
| C26 | O31 | C30 | C32 | 177.3° | 178.9° |
| O31 | C26 | C27 | H34 | 140.8° | 62.3° |
| C26 | O31 | C30 | H37 | 59.5° | 58.8° |
| C28 | C27 | O78 | H34 | 119.4° | 120.1° |
| C27 | C28 | C29 | O77 | 120.1° | 119.8° |
| C27 | C28 | C29 | H35 | 120.0° | 119.8° |
| C27 | C28 | O77 | H35 | 118.8° | 120.2° |
| C27 | C28 | C29 | C30 | 40.1° | 57.0° |
| C27 | C28 | C29 | O34 | 162.5° | 63.0° |
| C28 | C27 | C26 | H33 | 141.2° | 62.3° |
| C27 | C28 | C29 | H36 | 78.9° | 176.9° |
| C27 | C28 | O77 | H80 | 180.0° | 60.0° |
| C28 | C27 | O78 | H81 | 57.9° | 175.0° |
| O78 | C27 | C28 | C29 | 58.5° | 176.9° |
| O78 | C27 | C28 | O77 | 179.0° | 63.2° |
| O78 | C27 | C26 | H33 | 20.8° | 57.6° |
| O78 | C27 | C28 | H35 | 61.6° | 57.1° |
| C29 | C28 | O77 | H35 | 119.3° | 120.3° |
| C28 | C29 | C30 | O34 | 122.0° | 120.0° |
| C28 | C29 | C30 | H36 | 119.5° | 119.9° |
| C28 | C29 | O34 | H36 | 118.6° | 120.2° |
| C28 | C29 | C30 | O31 | 19.2° | 57.6° |
| C28 | C29 | C30 | C32 | 140.9° | 177.6° |
| C28 | C29 | O34 | C35 | 40.0° | 119.4° |
| C29 | C28 | C27 | H34 | 178.5° | 62.9° |
| C28 | C29 | C30 | H37 | 101.2° | 62.3° |
| C29 | C28 | O77 | H80 | 58.0° | 179.6° |
| O77 | C28 | C29 | C30 | 80.0° | 176.9° |
| O77 | C28 | C29 | O34 | 42.4° | 56.9° |
| O77 | C28 | C27 | H34 | 60.9° | 56.9° |
| O77 | C28 | C29 | H36 | 161.0° | 63.3° |
| C30 | C29 | O34 | H36 | 118.0° | 120.1° |
| C29 | C30 | O31 | C32 | 122.3° | 120.0° |
| C29 | C30 | O31 | H37 | 119.9° | 120.0° |
| C29 | C30 | C32 | H37 | 118.0° | 120.1° |
| C29 | C30 | C32 | O33 | 71.2° | 175.0° |
| C30 | C29 | O34 | C35 | 163.5° | 120.9° |
| C30 | C29 | C28 | H35 | 160.1° | 62.8° |
| C29 | C30 | C32 | H38 | 48.6° | 55.0° |
| C29 | C30 | C32 | H39 | 169.0° | 65.0° |
| O34 | C29 | C30 | O31 | 102.8° | 62.3° |
| O34 | C29 | C30 | C32 | 18.8° | 57.6° |
| C29 | O34 | C35 | C36 | 146.0° | 172.7° |
| C29 | O34 | C35 | O40 | 91.2° | 67.3° |
| O34 | C29 | C28 | H35 | 77.5° | 177.2° |
| O34 | C29 | C30 | H37 | 136.8° | 177.7° |
| C29 | O34 | C35 | H41 | 28.0° | 52.7° |
| O31 | C30 | C32 | H37 | 118.5° | 120.0° |
| O31 | C30 | C32 | O33 | 165.3° | 65.0° |
| C30 | O31 | C26 | H33 | 81.3° | 58.8° |
| O31 | C30 | C29 | H36 | 138.7° | 177.5° |
| O31 | C30 | C32 | H38 | 74.8° | 174.9° |
| O31 | C30 | C32 | H39 | 45.5° | 55.0° |
| C30 | C32 | O33 | H38 | 119.8° | 120.1° |
| C30 | C32 | O33 | H39 | 119.8° | 120.0° |
| C32 | C30 | C29 | H36 | 99.6° | 62.5° |
| C30 | C32 | H38 | H39 | 120.5° | 120.0° |
| C30 | C32 | O33 | H40 | 180.0° | 180.0° |
| O33 | C32 | C30 | H37 | 46.8° | 55.0° |
| O33 | C32 | H38 | H39 | 120.5° | 119.9° |
| O34 | C35 | C36 | O40 | 120.9° | 120.0° |
| O34 | C35 | C36 | H41 | 118.6° | 120.0° |
| O34 | C35 | O40 | H41 | 119.2° | 120.0° |
| O34 | C35 | C36 | C37 | 68.3° | 177.6° |
| O34 | C35 | C36 | O54 | 52.6° | 57.7° |
| O34 | C35 | O40 | C39 | 68.9° | 178.9° |
| C35 | O34 | C29 | H36 | 78.5° | 0.8° |
| O34 | C35 | C36 | H42 | 171.2° | 62.5° |
| C36 | C35 | O40 | H41 | 119.8° | 120.0° |
| C35 | C36 | C37 | O54 | 120.8° | 119.9° |
| C35 | C36 | C37 | H42 | 120.0° | 119.9° |
| C35 | C36 | O54 | H42 | 118.1° | 120.2° |
| C35 | C36 | C37 | C38 | 53.1° | 57.0° |
| C35 | C36 | C37 | O44 | 173.5° | 62.9° |
| C36 | C35 | O40 | C39 | 52.1° | 61.1° |
| C35 | C36 | O54 | C55 | 80.6° | 85.8° |
| C35 | C36 | C37 | H43 | 67.5° | 176.8° |
| O40 | C35 | C36 | C37 | 52.6° | 57.6° |
| O40 | C35 | C36 | O54 | 173.5° | 62.3° |
| C35 | O40 | C39 | C38 | 52.2° | 61.1° |
| C35 | O40 | C39 | C41 | 68.7° | 178.9° |
| O40 | C35 | C36 | H42 | 67.9° | 177.5° |
| C35 | O40 | C39 | H45 | 172.7° | 58.8° |
| C37 | C36 | O54 | H42 | 119.2° | 120.1° |
| C36 | C37 | C38 | O44 | 120.3° | 119.9° |
| C36 | C37 | C38 | H43 | 120.5° | 119.9° |
| C36 | C37 | O44 | H43 | 118.7° | 120.3° |
| C36 | C37 | C38 | C39 | 53.1° | 57.0° |
| C36 | C37 | C38 | O43 | 173.6° | 62.9° |
| C36 | C37 | O44 | C45 | 158.7° | 150.0° |
| C37 | C36 | O54 | C55 | 42.2° | 154.5° |
| C37 | C36 | C35 | H41 | 173.1° | 62.4° |
| C36 | C37 | C38 | H44 | 66.5° | 176.9° |
| O54 | C36 | C37 | C38 | 173.9° | 62.9° |
| O54 | C36 | C37 | O44 | 65.7° | 177.2° |
| C36 | O54 | C55 | C56 | 126.9° | 176.4° |
| C36 | O54 | C55 | O60 | 110.3° | 63.7° |
| O54 | C36 | C35 | H41 | 66.0° | 177.7° |
| O54 | C36 | C37 | H43 | 53.3° | 56.9° |
| C36 | O54 | C55 | H59 | 8.9° | 56.3° |
| C38 | C37 | O44 | H43 | 119.0° | 120.2° |
| C37 | C38 | C39 | O43 | 120.6° | 119.9° |
| C37 | C38 | C39 | H44 | 120.1° | 119.9° |
| C37 | C38 | O43 | H44 | 119.4° | 120.1° |
| C37 | C38 | C39 | O40 | 52.6° | 57.6° |
| C37 | C38 | C39 | C41 | 68.4° | 177.6° |
| C38 | C37 | O44 | C45 | 79.0° | 90.4° |
| C38 | C37 | C36 | H42 | 66.9° | 176.9° |
| C37 | C38 | C39 | H45 | 173.6° | 62.4° |
| C37 | C38 | O43 | H49 | 180.0° | 179.9° |
| O44 | C37 | C38 | C39 | 173.4° | 62.9° |
| O44 | C37 | C38 | O43 | 66.1° | 177.2° |
| C37 | O44 | C45 | C46 | 57.3° | 175.0° |
| C37 | O44 | C45 | O50 | 179.8° | 65.1° |
| O44 | C37 | C36 | H42 | 53.5° | 57.0° |
| O44 | C37 | C38 | H44 | 53.9° | 57.0° |
| C37 | O44 | C45 | H50 | 60.9° | 55.0° |
| C39 | C38 | O43 | H44 | 118.1° | 120.2° |
| C38 | C39 | O40 | C41 | 120.9° | 120.0° |
| C38 | C39 | O40 | H45 | 120.5° | 120.0° |
| C38 | C39 | C41 | H45 | 118.0° | 120.0° |
| C38 | C39 | C41 | O42 | 110.8° | 175.0° |
| C39 | C38 | C37 | H43 | 67.4° | 176.9° |
| C38 | C39 | C41 | H46 | 129.4° | 65.0° |
| C38 | C39 | C41 | H47 | 9.0° | 55.0° |
| C39 | C38 | O43 | H49 | 57.5° | 60.4° |
| O43 | C38 | C39 | O40 | 173.2° | 62.3° |
| O43 | C38 | C39 | C41 | 52.2° | 57.7° |
| O43 | C38 | C37 | H43 | 53.1° | 57.0° |
| O43 | C38 | C39 | H45 | 65.8° | 177.7° |
| O40 | C39 | C41 | H45 | 119.1° | 120.0° |
| O40 | C39 | C41 | O42 | 126.3° | 65.0° |
| C39 | O40 | C35 | H41 | 171.9° | 58.9° |
| O40 | C39 | C38 | H44 | 67.5° | 177.4° |
| O40 | C39 | C41 | H46 | 6.5° | 55.0° |
| O40 | C39 | C41 | H47 | 113.9° | 175.0° |
| C39 | C41 | O42 | H46 | 119.8° | 120.0° |
| C39 | C41 | O42 | H47 | 119.8° | 120.0° |
| C41 | C39 | C38 | H44 | 171.5° | 62.5° |
| C39 | C41 | H46 | H47 | 120.5° | 120.0° |
| C39 | C41 | O42 | H48 | 180.0° | 180.0° |
| O42 | C41 | C39 | H45 | 7.2° | 55.0° |
| O42 | C41 | H46 | H47 | 120.5° | 120.0° |
| O44 | C45 | C46 | O50 | 120.5° | 120.0° |
| O44 | C45 | C46 | H50 | 118.9° | 120.0° |
| O44 | C45 | O50 | H50 | 119.4° | 120.1° |
| O44 | C45 | C46 | C47 | 126.9° | 177.6° |
| O44 | C45 | C46 | O53 | 112.7° | 62.5° |
| O44 | C45 | O50 | C49 | 176.8° | 178.8° |
| C45 | O44 | C37 | H43 | 39.9° | 29.8° |
| O44 | C45 | C46 | H51 | 6.7° | 57.7° |
| C46 | C45 | O50 | H50 | 120.1° | 119.9° |
| C45 | C46 | C47 | O53 | 120.4° | 119.9° |
| C45 | C46 | C47 | H51 | 119.7° | 119.9° |
| C45 | C46 | O53 | H51 | 118.3° | 120.1° |
| C45 | C46 | C47 | C48 | 49.1° | 57.0° |
| C45 | C46 | C47 | O52 | 169.8° | 62.9° |
| C46 | C45 | O50 | C49 | 56.3° | 61.2° |
| C45 | C46 | C47 | H52 | 71.0° | 176.8° |
| C45 | C46 | O53 | H58 | 180.0° | 60.0° |
| O50 | C45 | C46 | C47 | 6.4° | 57.6° |
| O50 | C45 | C46 | O53 | 126.8° | 177.5° |
| C45 | O50 | C49 | C48 | 49.3° | 61.2° |
| O50 | C45 | C46 | H51 | 113.8° | 62.3° |
| C45 | O50 | C49 | H54 | 71.1° | 58.8° |
| C45 | O50 | C49 | H55 | 169.7° | 178.9° |
| C47 | C46 | O53 | H51 | 119.3° | 120.2° |
| C46 | C47 | C48 | O52 | 120.7° | 119.9° |
| C46 | C47 | C48 | H52 | 120.0° | 119.9° |
| C46 | C47 | O52 | H52 | 118.7° | 120.2° |
| C46 | C47 | C48 | C49 | 56.0° | 57.0° |
| C46 | C47 | C48 | O51 | 64.5° | 176.9° |
| C47 | C46 | C45 | H50 | 114.2° | 62.4° |
| C46 | C47 | C48 | H53 | 175.7° | 62.9° |
| C46 | C47 | O52 | H57 | 180.0° | 180.0° |
| C47 | C46 | O53 | H58 | 57.6° | 179.7° |
| O53 | C46 | C47 | C48 | 71.3° | 176.9° |
| O53 | C46 | C47 | O52 | 49.4° | 57.0° |
| O53 | C46 | C45 | H50 | 6.2° | 57.6° |
| O53 | C46 | C47 | H52 | 168.6° | 63.2° |
| C48 | C47 | O52 | H52 | 118.8° | 120.2° |
| C47 | C48 | C49 | O51 | 120.5° | 119.9° |
| C47 | C48 | C49 | H53 | 120.1° | 119.9° |
| C47 | C48 | O51 | H53 | 119.3° | 120.1° |
| C47 | C48 | C49 | O50 | 6.3° | 57.6° |
| C48 | C47 | C46 | H51 | 168.8° | 62.9° |
| C47 | C48 | C49 | H54 | 126.7° | 62.4° |
| C47 | C48 | C49 | H55 | 114.1° | 177.5° |
| C47 | C48 | O51 | H56 | 180.0° | 180.0° |
| C48 | C47 | O52 | H57 | 57.4° | 60.4° |
| O52 | C47 | C48 | C49 | 176.7° | 62.9° |
| O52 | C47 | C48 | O51 | 56.2° | 57.0° |
| O52 | C47 | C46 | H51 | 70.6° | 177.2° |
| O52 | C47 | C48 | H53 | 63.6° | 177.2° |
| C49 | C48 | O51 | H53 | 118.3° | 120.2° |
| C48 | C49 | O50 | H54 | 120.4° | 120.0° |
| C48 | C49 | O50 | H55 | 120.4° | 119.9° |
| C49 | C48 | C47 | H52 | 64.0° | 176.9° |
| C48 | C49 | H54 | H55 | 118.8° | 120.1° |
| C49 | C48 | O51 | H56 | 57.5° | 60.4° |
| O51 | C48 | C49 | O50 | 114.2° | 177.5° |
| O51 | C48 | C47 | H52 | 175.5° | 63.2° |
| O51 | C48 | C49 | H54 | 6.2° | 57.5° |
| O51 | C48 | C49 | H55 | 125.4° | 62.6° |
| C49 | O50 | C45 | H50 | 63.9° | 58.7° |
| O50 | C49 | C48 | H53 | 126.4° | 62.3° |
| O50 | C49 | H54 | H55 | 118.8° | 120.0° |
| O54 | C55 | C56 | O60 | 120.9° | 120.0° |
| O54 | C55 | C56 | H59 | 118.9° | 120.1° |
| O54 | C55 | O60 | H59 | 119.5° | 120.1° |
| O54 | C55 | C56 | C57 | 68.0° | 177.5° |
| O54 | C55 | C56 | O76 | 171.6° | 62.5° |
| O54 | C55 | O60 | C59 | 68.7° | 178.9° |
| C55 | O54 | C36 | H42 | 161.4° | 34.4° |
| O54 | C55 | C56 | H60 | 52.1° | 57.7° |
| C56 | C55 | O60 | H59 | 119.6° | 119.9° |
| C55 | C56 | C57 | O76 | 120.4° | 119.9° |
| C55 | C56 | C57 | H60 | 119.7° | 119.9° |
| C55 | C56 | O76 | H60 | 118.4° | 120.2° |
| C55 | C56 | C57 | C58 | 53.5° | 57.0° |
| C55 | C56 | C57 | O64 | 67.0° | 176.8° |
| C56 | C55 | O60 | C59 | 52.2° | 61.1° |
| C55 | C56 | C57 | H61 | 173.7° | 62.9° |
| C55 | C56 | O76 | H79 | 180.0° | 60.1° |
| O60 | C55 | C56 | C57 | 52.9° | 57.6° |
| O60 | C55 | C56 | O76 | 67.5° | 177.5° |
| C55 | O60 | C59 | C58 | 52.1° | 61.2° |
| C55 | O60 | C59 | C61 | 68.8° | 178.9° |
| O60 | C55 | C56 | H60 | 173.0° | 62.3° |
| C55 | O60 | C59 | H63 | 172.7° | 58.9° |
| C57 | C56 | O76 | H60 | 119.3° | 120.1° |
| C56 | C57 | C58 | O64 | 120.6° | 119.9° |
| C56 | C57 | C58 | H61 | 120.1° | 119.9° |
| C56 | C57 | O64 | H61 | 118.8° | 120.2° |
| C56 | C57 | C58 | C59 | 53.4° | 57.0° |
| C56 | C57 | C58 | O63 | 67.1° | 176.9° |
| C56 | C57 | O64 | C65 | 131.5° | 103.0° |
| C57 | C56 | C55 | H59 | 173.1° | 62.3° |
| C56 | C57 | C58 | H62 | 173.0° | 62.9° |
| C57 | C56 | O76 | H79 | 57.7° | 179.8° |
| O76 | C56 | C57 | C58 | 66.9° | 176.9° |
| O76 | C56 | C57 | O64 | 172.6° | 63.2° |
| O76 | C56 | C55 | H59 | 52.7° | 57.6° |
| O76 | C56 | C57 | H61 | 53.3° | 57.0° |
| C58 | C57 | O64 | H61 | 118.9° | 120.3° |
| C57 | C58 | C59 | O63 | 120.5° | 119.9° |
| C57 | C58 | C59 | H62 | 120.1° | 120.0° |
| C57 | C58 | O63 | H62 | 119.3° | 120.2° |
| C57 | C58 | C59 | O60 | 52.6° | 57.6° |
| C57 | C58 | C59 | C61 | 68.3° | 177.6° |
| C58 | C57 | O64 | C65 | 106.1° | 137.4° |
| C58 | C57 | C56 | H60 | 173.2° | 62.9° |
| C57 | C58 | C59 | H63 | 173.7° | 62.4° |
| C57 | C58 | O63 | H67 | 180.0° | 180.0° |
| O64 | C57 | C58 | C59 | 67.2° | 176.9° |
| O64 | C57 | C58 | O63 | 172.3° | 63.2° |
| C57 | O64 | C65 | C66 | 170.3° | 167.5° |
| C57 | O64 | C65 | O70 | 47.8° | 72.5° |
| O64 | C57 | C56 | H60 | 52.6° | 56.9° |
| O64 | C57 | C58 | H62 | 52.4° | 56.9° |
| C57 | O64 | C65 | H68 | 71.5° | 47.5° |
| C59 | C58 | O63 | H62 | 118.2° | 120.1° |
| C58 | C59 | O60 | C61 | 120.9° | 120.0° |
| C58 | C59 | O60 | H63 | 120.6° | 120.0° |
| C58 | C59 | C61 | H63 | 118.1° | 120.0° |
| C58 | C59 | C61 | O62 | 167.7° | 175.0° |
| C59 | C58 | C57 | H61 | 173.5° | 62.9° |
| C58 | C59 | C61 | H64 | 47.8° | 65.0° |
| C58 | C59 | C61 | H65 | 72.5° | 55.1° |
| C59 | C58 | O63 | H67 | 57.5° | 60.3° |
| O63 | C58 | C59 | O60 | 67.9° | 177.5° |
| O63 | C58 | C59 | C61 | 171.2° | 62.5° |
| O63 | C58 | C57 | H61 | 53.0° | 57.0° |
| O63 | C58 | C59 | H63 | 53.1° | 57.5° |
| O60 | C59 | C61 | H63 | 119.1° | 120.0° |
| O60 | C59 | C61 | O62 | 44.8° | 65.1° |
| C59 | O60 | C55 | H59 | 171.8° | 58.8° |
| O60 | C59 | C58 | H62 | 172.7° | 62.3° |
| O60 | C59 | C61 | H64 | 75.1° | 54.9° |
| O60 | C59 | C61 | H65 | 164.6° | 175.0° |
| C59 | C61 | O62 | H64 | 119.8° | 120.1° |
| C59 | C61 | O62 | H65 | 119.8° | 119.9° |
| C61 | C59 | C58 | H62 | 51.8° | 57.6° |
| C59 | C61 | H64 | H65 | 120.5° | 120.0° |
| C59 | C61 | O62 | H66 | 180.0° | 180.0° |
| O62 | C61 | C59 | H63 | 74.3° | 54.9° |
| O62 | C61 | H64 | H65 | 120.5° | 119.9° |
| O64 | C65 | C66 | O70 | 120.5° | 120.0° |
| O64 | C65 | C66 | H68 | 118.8° | 120.0° |
| O64 | C65 | O70 | H68 | 119.4° | 120.0° |
| O64 | C65 | C66 | C67 | 58.0° | 177.6° |
| O64 | C65 | C66 | O75 | 62.5° | 57.7° |
| O64 | C65 | O70 | C69 | 91.7° | 178.8° |
| C65 | O64 | C57 | H61 | 12.8° | 17.2° |
| O64 | C65 | C66 | H69 | 178.1° | 62.5° |
| C66 | C65 | O70 | H68 | 120.1° | 120.0° |
| C65 | C66 | C67 | O75 | 120.5° | 119.9° |
| C65 | C66 | C67 | H69 | 119.7° | 119.9° |
| C65 | C66 | O75 | H69 | 118.3° | 120.1° |
| C65 | C66 | C67 | C68 | 29.6° | 57.0° |
| C65 | C66 | C67 | O74 | 150.0° | 62.9° |
| C66 | C65 | O70 | C69 | 28.8° | 61.2° |
| C65 | C66 | C67 | H70 | 90.7° | 176.9° |
| C65 | C66 | O75 | H78 | 180.0° | 59.9° |
| O70 | C65 | C66 | C67 | 62.6° | 57.6° |
| O70 | C65 | C66 | O75 | 177.0° | 62.3° |
| C65 | O70 | C69 | C68 | 29.6° | 61.2° |
| C65 | O70 | C69 | C71 | 150.2° | 178.9° |
| O70 | C65 | C66 | H69 | 57.5° | 177.5° |
| C65 | O70 | C69 | H72 | 91.3° | 58.8° |
| C67 | C66 | O75 | H69 | 119.3° | 120.2° |
| C66 | C67 | C68 | O74 | 120.5° | 119.9° |
| C66 | C67 | C68 | H70 | 120.2° | 119.8° |
| C66 | C67 | O74 | H70 | 118.8° | 120.2° |
| C66 | C67 | C68 | C69 | 28.6° | 57.0° |
| C66 | C67 | C68 | O73 | 91.9° | 62.9° |
| C67 | C66 | C65 | H68 | 176.8° | 62.4° |
| C66 | C67 | C68 | H71 | 148.3° | 176.9° |
| C66 | C67 | O74 | H77 | 180.0° | 60.0° |
| C67 | C66 | O75 | H78 | 57.6° | 179.6° |
| O75 | C66 | C67 | C68 | 150.1° | 62.9° |
| O75 | C66 | C67 | O74 | 89.5° | 177.2° |
| O75 | C66 | C65 | H68 | 56.3° | 177.7° |
| O75 | C66 | C67 | H70 | 29.8° | 56.9° |
| C68 | C67 | O74 | H70 | 118.8° | 120.2° |
| C67 | C68 | C69 | O73 | 120.5° | 119.9° |
| C67 | C68 | C69 | H71 | 120.1° | 119.9° |
| C67 | C68 | O73 | H71 | 119.2° | 120.2° |
| C67 | C68 | C69 | O70 | 62.5° | 57.6° |
| C67 | C68 | C69 | C71 | 176.9° | 177.6° |
| C68 | C67 | C66 | H69 | 90.1° | 176.9° |
| C67 | C68 | C69 | H72 | 58.8° | 62.4° |
| C67 | C68 | O73 | H76 | 180.0° | 60.0° |
| C68 | C67 | O74 | H77 | 57.6° | 179.6° |
| O74 | C67 | C68 | C69 | 91.8° | 62.9° |
| O74 | C67 | C68 | O73 | 147.6° | 177.2° |
| O74 | C67 | C66 | H69 | 30.3° | 57.0° |
| O74 | C67 | C68 | H71 | 27.8° | 57.0° |
| C69 | C68 | O73 | H71 | 118.3° | 120.1° |
| C68 | C69 | O70 | C71 | 120.6° | 120.0° |
| C68 | C69 | O70 | H72 | 120.8° | 120.0° |
| C68 | C69 | C71 | H72 | 118.2° | 120.1° |
| C68 | C69 | C71 | O72 | 83.7° | 174.5° |
| C69 | C68 | C67 | H70 | 148.8° | 176.8° |
| C68 | C69 | C71 | H73 | 156.5° | 54.5° |
| C68 | C69 | C71 | H74 | 36.2° | 65.5° |
| C69 | C68 | O73 | H76 | 57.6° | 179.7° |
| O73 | C68 | C69 | O70 | 58.0° | 62.3° |
| O73 | C68 | C69 | C71 | 62.6° | 57.7° |
| O73 | C68 | C67 | H70 | 28.3° | 56.9° |
| O73 | C68 | C69 | H72 | 179.3° | 177.7° |
| O70 | C69 | C71 | H72 | 119.2° | 120.0° |
| O70 | C69 | C71 | O72 | 38.9° | 65.6° |
| C69 | O70 | C65 | H68 | 148.9° | 58.8° |
| O70 | C69 | C68 | H71 | 177.4° | 177.5° |
| O70 | C69 | C71 | H73 | 80.9° | 174.4° |
| O70 | C69 | C71 | H74 | 158.7° | 54.4° |
| C69 | C71 | O72 | H73 | 119.8° | 119.9° |
| C69 | C71 | O72 | H74 | 119.8° | 120.1° |
| C71 | C69 | C68 | H71 | 56.8° | 62.5° |
| C69 | C71 | H73 | H74 | 120.5° | 120.0° |
| C69 | C71 | O72 | H75 | 180.0° | 174.8° |
| O72 | C71 | C69 | H72 | 158.1° | 54.4° |
| O72 | C71 | H73 | H74 | 120.6° | 120.0° |
| O84 | C85 | C02 | H4 | 68.9° | 173.8° |
| O84 | C85 | H93 | H94 | 118.8° | 119.2° |
| H1 | C01 | H2 | H3 | 119.9° | 119.9° |
| H1 | C01 | C02 | H4 | 60.7° | 179.3° |
| H2 | C01 | C02 | H4 | 59.3° | 60.7° |
| H3 | C01 | C02 | H4 | 179.3° | 59.3° |
| H4 | C02 | C03 | H5 | 171.3° | 67.4° |
| H4 | C02 | C03 | H6 | 52.0° | 52.0° |
| H4 | C02 | C85 | H93 | 51.5° | 53.4° |
| H4 | C02 | C85 | H94 | 170.7° | 66.2° |
| H5 | C03 | C04 | H7 | 53.5° | 55.8° |
| H5 | C03 | C04 | H8 | 172.7° | 63.5° |
| H6 | C03 | C04 | H7 | 65.8° | 174.5° |
| H6 | C03 | C04 | H8 | 53.4° | 55.3° |
| H9 | C06 | C07 | H10 | 109.4° | 105.2° |
| H9 | C06 | C83 | H90 | 63.1° | 60.5° |
| H9 | C06 | C83 | H91 | 176.9° | 59.4° |
| H9 | C06 | C83 | H92 | 56.8° | 179.4° |
| H10 | C07 | C08 | H11 | 7.9° | 33.3° |
| H10 | C07 | C12 | C11 | 88.0° | 77.9° |
| H11 | C08 | C10 | H12 | 142.8° | 110.9° |
| H12 | C10 | C11 | H13 | 168.7° | 148.1° |
| H12 | C10 | O82 | H89 | 60.2° | 61.3° |
| H12 | C10 | C11 | C12 | 83.7° | 99.0° |
| H13 | C11 | C16 | H21 | 175.0° | 175.6° |
| H16 | C13 | C14 | H18 | 53.0° | 51.3° |
| H16 | C13 | C14 | H19 | 66.2° | 165.9° |
| H16 | C13 | C12 | C11 | 122.7° | 60.5° |
| H17 | C13 | C14 | H18 | 172.2° | 68.6° |
| H17 | C13 | C14 | H19 | 53.0° | 45.9° |
| H17 | C13 | C12 | C11 | 118.1° | 178.2° |
| H18 | C14 | C15 | H20 | 170.0° | 83.6° |
| H19 | C14 | C15 | H20 | 50.9° | 30.9° |
| H20 | C15 | C16 | H21 | 3.6° | 39.1° |
| H21 | C16 | C17 | H22 | 55.8° | 41.1° |
| H21 | C16 | C17 | H23 | 63.4° | 76.7° |
| H21 | C16 | C11 | C12 | 65.7° | 58.4° |
| H22 | C17 | C18 | H24 | 49.9° | 56.4° |
| H22 | C17 | C18 | H25 | 169.1° | 175.8° |
| H23 | C17 | C18 | H24 | 69.3° | 61.6° |
| H23 | C17 | C18 | H25 | 49.9° | 57.8° |
| H24 | C18 | C19 | H26 | 125.3° | 56.7° |
| H25 | C18 | C19 | H26 | 6.2° | 63.0° |
| H26 | C19 | C24 | H31 | 112.1° | 179.8° |
| H26 | C19 | C24 | H32 | 7.1° | 60.2° |
| H27 | C21 | C22 | H29 | 128.0° | 179.8° |
| H28 | C21 | C22 | H29 | 8.8° | 61.2° |
| H29 | C22 | C23 | H30 | 177.1° | 179.2° |
| H29 | C22 | O79 | H82 | 61.4° | 53.6° |
| H30 | C23 | C24 | H31 | 167.7° | 179.9° |
| H30 | C23 | C24 | H32 | 48.5° | 60.9° |
| H33 | C26 | C27 | H34 | 98.7° | 177.7° |
| H34 | C27 | C28 | H35 | 58.4° | 177.2° |
| H34 | C27 | O78 | H81 | 61.6° | 64.9° |
| H35 | C28 | C29 | H36 | 41.1° | 57.0° |
| H35 | C28 | O77 | H80 | 61.2° | 60.2° |
| H36 | C29 | C30 | H37 | 18.3° | 57.6° |
| H37 | C30 | C32 | H38 | 166.7° | 65.1° |
| H37 | C30 | C32 | H39 | 73.0° | 175.0° |
| H38 | C32 | O33 | H40 | 60.1° | 59.9° |
| H39 | C32 | O33 | H40 | 60.2° | 60.0° |
| H41 | C35 | C36 | H42 | 52.6° | 57.5° |
| H42 | C36 | C37 | H43 | 172.5° | 63.3° |
| H43 | C37 | C38 | H44 | 173.0° | 63.3° |
| H44 | C38 | C39 | H45 | 53.5° | 57.5° |
| H44 | C38 | O43 | H49 | 60.7° | 59.8° |
| H45 | C39 | C41 | H46 | 112.6° | 175.0° |
| H45 | C39 | C41 | H47 | 127.0° | 65.0° |
| H46 | C41 | O42 | H48 | 60.2° | 60.0° |
| H47 | C41 | O42 | H48 | 60.2° | 60.1° |
| H50 | C45 | C46 | H51 | 125.6° | 177.7° |
| H51 | C46 | C47 | H52 | 48.7° | 56.9° |
| H51 | C46 | O53 | H58 | 61.7° | 60.1° |
| H52 | C47 | C48 | H53 | 55.6° | 56.9° |
| H52 | C47 | O52 | H57 | 61.3° | 59.8° |
| H53 | C48 | C49 | H54 | 113.2° | 177.8° |
| H53 | C48 | C49 | H55 | 6.0° | 57.6° |
| H53 | C48 | O51 | H56 | 60.7° | 59.8° |
| H59 | C55 | C56 | H60 | 66.8° | 177.8° |
| H60 | C56 | C57 | H61 | 66.7° | 177.2° |
| H60 | C56 | O76 | H79 | 61.6° | 60.1° |
| H61 | C57 | C58 | H62 | 66.9° | 177.2° |
| H62 | C58 | C59 | H63 | 66.3° | 177.6° |
| H62 | C58 | O63 | H67 | 60.7° | 59.8° |
| H63 | C59 | C61 | H64 | 165.9° | 175.0° |
| H63 | C59 | C61 | H65 | 45.6° | 65.0° |
| H64 | C61 | O62 | H66 | 60.2° | 59.9° |
| H65 | C61 | O62 | H66 | 60.1° | 60.1° |
| H68 | C65 | C66 | H69 | 63.1° | 57.5° |
| H69 | C66 | C67 | H70 | 149.7° | 63.3° |
| H69 | C66 | O75 | H78 | 61.7° | 60.2° |
| H70 | C67 | C68 | H71 | 91.6° | 63.3° |
| H70 | C67 | O74 | H77 | 61.2° | 60.2° |
| H71 | C68 | C69 | H72 | 61.3° | 57.5° |
| H71 | C68 | O73 | H76 | 60.7° | 60.2° |
| H72 | C69 | C71 | H73 | 38.3° | 65.6° |
| H72 | C69 | C71 | H74 | 82.0° | 174.5° |
| H73 | C71 | O72 | H75 | 60.2° | 54.9° |
| H74 | C71 | O72 | H75 | 60.2° | 65.1° |
| H83 | C80 | H84 | H85 | 120.0° | 119.9° |
| H86 | C81 | H87 | H88 | 120.0° | 120.0° |
| H86 | C81 | C12 | C11 | 65.9° | 54.2° |
| H87 | C81 | C12 | C11 | 174.1° | 65.8° |
| H88 | C81 | C12 | C11 | 54.1° | 174.2° |
| H90 | C83 | H91 | H92 | 120.0° | 120.0° |
