AJP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | C85 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C85 | O84 | sing | 1.43Å | 1.42Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| O84 | C05 | sing | 1.42Å | 1.42Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C05 | O09 | sing | 1.44Å | 1.43Å | |
| C05 | C06 | sing | 1.54Å | 1.50Å | |
| O09 | C08 | sing | 1.44Å | 1.43Å | |
| C08 | C10 | sing | 1.55Å | 1.53Å | |
| C08 | C07 | sing | 1.56Å | 1.52Å | |
| C83 | C06 | sing | 1.53Å | 1.51Å | |
| C06 | C07 | sing | 1.54Å | 1.51Å | |
| C10 | O82 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.52Å | 1.52Å | |
| C07 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.55Å | 1.51Å | |
| C11 | C16 | sing | 1.52Å | 1.52Å | |
| C12 | C81 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.52Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.54Å | 1.52Å | |
| C16 | C15 | sing | 1.54Å | 1.53Å | |
| C15 | C14 | sing | 1.52Å | 1.52Å | |
| C15 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C24 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C80 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| O33 | C32 | sing | 1.43Å | 1.43Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | O25 | sing | 1.43Å | 1.42Å | |
| C32 | C30 | sing | 1.53Å | 1.52Å | |
| C22 | O79 | sing | 1.43Å | 1.43Å | |
| C30 | O31 | sing | 1.43Å | 1.42Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| O31 | C26 | sing | 1.43Å | 1.42Å | |
| C26 | O25 | sing | 1.43Å | 1.42Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C29 | O34 | sing | 1.43Å | 1.42Å | |
| C41 | C39 | sing | 1.53Å | 1.52Å | |
| C41 | O42 | sing | 1.43Å | 1.43Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | O77 | sing | 1.43Å | 1.43Å | |
| C27 | O78 | sing | 1.43Å | 1.43Å | |
| O40 | C39 | sing | 1.43Å | 1.42Å | |
| O40 | C35 | sing | 1.43Å | 1.43Å | |
| C39 | C38 | sing | 1.53Å | 1.52Å | |
| O34 | C35 | sing | 1.43Å | 1.43Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C38 | O43 | sing | 1.43Å | 1.43Å | |
| C38 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | O54 | sing | 1.43Å | 1.43Å | |
| C37 | O44 | sing | 1.43Å | 1.42Å | |
| O54 | C55 | sing | 1.43Å | 1.43Å | |
| O76 | C56 | sing | 1.43Å | 1.43Å | |
| O50 | C49 | sing | 1.43Å | 1.43Å | |
| O50 | C45 | sing | 1.43Å | 1.43Å | |
| C56 | C55 | sing | 1.53Å | 1.52Å | |
| C56 | C57 | sing | 1.53Å | 1.52Å | |
| O44 | C45 | sing | 1.43Å | 1.43Å | |
| C55 | O60 | sing | 1.43Å | 1.43Å | |
| C49 | C48 | sing | 1.53Å | 1.52Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| O60 | C59 | sing | 1.43Å | 1.43Å | |
| O63 | C58 | sing | 1.43Å | 1.43Å | |
| O75 | C66 | sing | 1.43Å | 1.43Å | |
| O64 | C57 | sing | 1.43Å | 1.42Å | |
| O64 | C65 | sing | 1.43Å | 1.43Å | |
| C57 | C58 | sing | 1.53Å | 1.52Å | |
| O62 | C61 | sing | 1.43Å | 1.43Å | |
| C48 | O51 | sing | 1.43Å | 1.43Å | |
| C48 | C47 | sing | 1.53Å | 1.52Å | |
| C58 | C59 | sing | 1.53Å | 1.52Å | |
| C59 | C61 | sing | 1.53Å | 1.52Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| C46 | O53 | sing | 1.43Å | 1.43Å | |
| C66 | C65 | sing | 1.53Å | 1.52Å | |
| C66 | C67 | sing | 1.53Å | 1.52Å | |
| C65 | O70 | sing | 1.43Å | 1.43Å | |
| C47 | O52 | sing | 1.43Å | 1.43Å | |
| O74 | C67 | sing | 1.43Å | 1.43Å | |
| C67 | C68 | sing | 1.53Å | 1.52Å | |
| O70 | C69 | sing | 1.43Å | 1.43Å | |
| C68 | C69 | sing | 1.53Å | 1.52Å | |
| C68 | O73 | sing | 1.43Å | 1.43Å | |
| C69 | C71 | sing | 1.53Å | 1.52Å | |
| C71 | O72 | sing | 1.43Å | 1.43Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 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 | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| O33 | H38 | sing | 0.97Å | 0.95Å | |
| C35 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H41 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| C39 | H43 | sing | 1.09Å | 1.10Å | |
| C41 | H44 | sing | 1.09Å | 1.10Å | |
| C41 | H45 | sing | 1.09Å | 1.10Å | |
| O42 | H46 | sing | 0.97Å | 0.95Å | |
| O43 | H47 | sing | 0.97Å | 0.95Å | |
| C45 | H48 | sing | 1.09Å | 1.10Å | |
| C46 | H49 | sing | 1.09Å | 1.10Å | |
| C47 | H50 | sing | 1.09Å | 1.10Å | |
| C48 | H51 | sing | 1.09Å | 1.10Å | |
| C49 | H52 | sing | 1.09Å | 1.10Å | |
| C49 | H53 | sing | 1.09Å | 1.10Å | |
| O51 | H54 | sing | 0.97Å | 0.95Å | |
| O52 | H55 | sing | 0.97Å | 0.95Å | |
| O53 | H56 | sing | 0.97Å | 0.95Å | |
| C55 | H57 | sing | 1.09Å | 1.10Å | |
| C56 | H58 | sing | 1.09Å | 1.10Å | |
| C57 | H59 | sing | 1.09Å | 1.10Å | |
| C58 | H60 | sing | 1.09Å | 1.10Å | |
| C59 | H61 | sing | 1.09Å | 1.10Å | |
| C61 | H62 | sing | 1.09Å | 1.10Å | |
| C61 | H63 | sing | 1.09Å | 1.10Å | |
| O62 | H64 | sing | 0.97Å | 0.95Å | |
| O63 | H65 | sing | 0.97Å | 0.95Å | |
| C65 | H66 | sing | 1.09Å | 1.10Å | |
| C66 | H67 | sing | 1.09Å | 1.10Å | |
| C67 | H68 | sing | 1.09Å | 1.10Å | |
| C68 | H69 | sing | 1.09Å | 1.10Å | |
| C69 | H70 | sing | 1.09Å | 1.10Å | |
| C71 | H71 | sing | 1.09Å | 1.10Å | |
| C71 | H72 | sing | 1.09Å | 1.10Å | |
| O72 | H73 | sing | 0.97Å | 0.95Å | |
| O73 | H74 | sing | 0.97Å | 0.95Å | |
| O74 | H75 | sing | 0.97Å | 0.95Å | |
| O75 | H76 | sing | 0.97Å | 0.95Å | |
| O76 | H77 | sing | 0.97Å | 0.95Å | |
| O77 | H78 | sing | 0.97Å | 0.95Å | |
| O78 | H79 | sing | 0.97Å | 0.95Å | |
| O79 | H80 | sing | 0.97Å | 0.95Å | |
| C80 | H81 | sing | 1.09Å | 1.10Å | |
| C80 | H82 | sing | 1.09Å | 1.10Å | |
| C80 | H83 | sing | 1.09Å | 1.10Å | |
| C81 | H84 | sing | 1.09Å | 1.10Å | |
| C81 | H85 | sing | 1.09Å | 1.10Å | |
| C81 | H86 | sing | 1.09Å | 1.10Å | |
| O82 | H87 | sing | 0.97Å | 0.95Å | |
| C83 | H88 | sing | 1.09Å | 1.10Å | |
| C83 | H89 | sing | 1.09Å | 1.10Å | |
| C83 | H90 | sing | 1.09Å | 1.10Å | |
| C85 | H91 | sing | 1.09Å | 1.10Å | |
| C85 | H92 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C85 | 109.7° | 109.5° |
| C01 | C02 | C03 | 110.4° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 109.0° | 109.5° |
| C85 | C02 | C03 | 109.6° | 109.2° |
| C02 | C85 | O84 | 109.8° | 109.3° |
| C85 | C02 | H4 | 109.0° | 109.5° |
| C02 | C85 | H91 | 109.4° | 109.5° |
| C02 | C85 | H92 | 109.4° | 109.5° |
| C02 | C03 | C04 | 111.1° | 109.0° |
| C03 | C02 | H4 | 109.0° | 109.6° |
| C02 | C03 | H5 | 109.1° | 109.5° |
| C02 | C03 | H6 | 109.1° | 109.6° |
| C85 | O84 | C05 | 112.0° | 114.2° |
| O84 | C85 | H91 | 109.4° | 109.5° |
| O84 | C85 | H92 | 109.4° | 109.5° |
| C03 | C04 | C05 | 111.1° | 109.3° |
| C04 | C03 | H5 | 109.1° | 109.6° |
| C04 | C03 | H6 | 109.1° | 109.6° |
| C03 | C04 | H7 | 109.1° | 109.5° |
| C03 | C04 | H8 | 109.1° | 109.5° |
| O84 | C05 | C04 | 109.3° | 110.8° |
| O84 | C05 | O09 | 110.9° | 110.3° |
| O84 | C05 | C06 | 107.6° | 110.0° |
| C04 | C05 | O09 | 113.8° | 110.2° |
| C04 | C05 | C06 | 109.9° | 110.1° |
| C05 | C04 | H7 | 109.1° | 109.6° |
| C05 | C04 | H8 | 109.1° | 109.5° |
| O09 | C05 | C06 | 105.0° | 105.3° |
| C05 | O09 | C08 | 106.3° | 105.6° |
| C05 | C06 | C83 | 111.7° | 110.5° |
| C05 | C06 | C07 | 103.3° | 104.1° |
| C05 | C06 | H9 | 109.9° | 110.5° |
| O09 | C08 | C10 | 117.3° | 108.5° |
| O09 | C08 | C07 | 105.5° | 104.7° |
| O09 | C08 | H11 | 110.0° | 112.8° |
| C10 | C08 | C07 | 106.2° | 106.2° |
| C08 | C10 | O82 | 111.7° | 110.2° |
| C08 | C10 | C11 | 101.3° | 105.4° |
| C10 | C08 | H11 | 108.7° | 112.0° |
| C08 | C10 | H12 | 109.3° | 110.2° |
| C08 | C07 | C06 | 105.8° | 103.8° |
| C08 | C07 | C12 | 105.9° | 103.0° |
| C08 | C07 | H10 | 108.7° | 113.8° |
| C07 | C08 | H11 | 108.8° | 112.1° |
| C83 | C06 | C07 | 112.1° | 110.5° |
| C83 | C06 | H9 | 109.8° | 110.6° |
| C06 | C83 | H88 | 109.5° | 109.4° |
| C06 | C83 | H89 | 109.5° | 109.5° |
| C06 | C83 | H90 | 109.4° | 109.5° |
| C06 | C07 | C12 | 118.5° | 109.6° |
| C07 | C06 | H9 | 109.8° | 110.5° |
| C06 | C07 | H10 | 108.8° | 112.8° |
| O82 | C10 | C11 | 114.2° | 110.3° |
| O82 | C10 | H12 | 110.7° | 110.2° |
| C10 | O82 | H87 | 109.5° | 114.0° |
| C10 | C11 | C12 | 102.9° | 103.3° |
| C10 | C11 | C16 | 121.5° | 116.8° |
| C11 | C10 | H12 | 109.3° | 110.4° |
| C10 | C11 | H13 | 106.0° | 109.7° |
| C07 | C12 | C11 | 99.4° | 101.8° |
| C07 | C12 | C81 | 111.4° | 110.4° |
| C07 | C12 | C13 | 113.7° | 115.7° |
| C12 | C07 | H10 | 108.7° | 112.9° |
| C12 | C11 | C16 | 113.4° | 107.5° |
| C11 | C12 | C81 | 112.8° | 110.4° |
| C11 | C12 | C13 | 108.6° | 107.1° |
| C12 | C11 | H13 | 106.1° | 109.6° |
| C11 | C16 | C17 | 111.7° | 110.5° |
| C11 | C16 | C15 | 106.5° | 107.1° |
| C16 | C11 | H13 | 106.0° | 109.6° |
| C11 | C16 | H19 | 108.7° | 109.7° |
| C81 | C12 | C13 | 110.5° | 110.9° |
| C12 | C81 | H84 | 109.5° | 109.5° |
| C12 | C81 | H85 | 109.5° | 109.5° |
| C12 | C81 | H86 | 109.5° | 109.5° |
| C12 | C13 | C14 | 109.0° | 107.4° |
| C12 | C13 | H14 | 109.6° | 109.9° |
| C12 | C13 | H15 | 109.6° | 109.9° |
| C16 | C17 | C18 | 110.0° | 109.5° |
| C17 | C16 | C15 | 112.5° | 109.1° |
| C17 | C16 | H19 | 108.7° | 110.6° |
| C16 | C17 | H20 | 109.3° | 109.5° |
| C16 | C17 | H21 | 109.4° | 109.5° |
| C17 | C18 | C19 | 109.7° | 109.5° |
| C18 | C17 | H20 | 109.4° | 109.5° |
| C18 | C17 | H21 | 109.3° | 109.5° |
| C17 | C18 | H22 | 109.4° | 109.5° |
| C17 | C18 | H23 | 109.4° | 109.4° |
| C13 | C14 | C15 | 110.3° | 111.4° |
| C14 | C13 | H14 | 109.6° | 109.9° |
| C14 | C13 | H15 | 109.6° | 109.8° |
| C13 | C14 | H16 | 109.3° | 109.1° |
| C13 | C14 | H17 | 109.3° | 109.1° |
| C16 | C15 | C14 | 108.3° | 111.4° |
| C16 | C15 | C20 | 114.1° | 109.3° |
| C16 | C15 | H18 | 107.2° | 108.2° |
| C15 | C16 | H19 | 108.6° | 109.8° |
| C14 | C15 | C20 | 112.5° | 110.2° |
| C15 | C14 | H16 | 109.2° | 109.1° |
| C15 | C14 | H17 | 109.3° | 109.0° |
| C14 | C15 | H18 | 107.2° | 108.9° |
| C15 | C20 | C19 | 107.9° | 109.4° |
| C15 | C20 | C21 | 110.7° | 109.4° |
| C15 | C20 | C80 | 109.5° | 109.6° |
| C20 | C15 | H18 | 107.1° | 108.9° |
| C18 | C19 | C20 | 111.3° | 109.5° |
| C18 | C19 | C24 | 109.2° | 109.5° |
| C19 | C18 | H22 | 109.4° | 109.5° |
| C19 | C18 | H23 | 109.4° | 109.5° |
| C18 | C19 | H24 | 107.7° | 109.4° |
| C20 | C19 | C24 | 112.8° | 109.6° |
| C19 | C20 | C21 | 107.0° | 109.4° |
| C19 | C20 | C80 | 112.9° | 109.5° |
| C20 | C19 | H24 | 107.8° | 109.5° |
| C19 | C24 | C23 | 114.0° | 109.5° |
| C24 | C19 | H24 | 107.7° | 109.4° |
| C19 | C24 | H29 | 108.3° | 109.5° |
| C19 | C24 | H30 | 108.3° | 109.5° |
| C21 | C20 | C80 | 108.8° | 109.6° |
| C20 | C21 | C22 | 111.5° | 109.6° |
| C20 | C21 | H25 | 109.0° | 109.5° |
| C20 | C21 | H26 | 109.0° | 109.5° |
| C20 | C80 | H81 | 109.5° | 109.5° |
| C20 | C80 | H82 | 109.5° | 109.5° |
| C20 | C80 | H83 | 109.5° | 109.5° |
| C21 | C22 | C23 | 112.0° | 109.5° |
| C21 | C22 | O79 | 108.9° | 109.5° |
| C22 | C21 | H25 | 109.0° | 109.5° |
| C22 | C21 | H26 | 109.0° | 109.5° |
| C21 | C22 | H27 | 108.5° | 109.5° |
| C24 | C23 | C22 | 113.7° | 109.4° |
| C24 | C23 | O25 | 108.6° | 109.5° |
| C24 | C23 | H28 | 108.1° | 109.5° |
| C23 | C24 | H29 | 108.4° | 109.5° |
| C23 | C24 | H30 | 108.4° | 109.4° |
| O33 | C32 | C30 | 110.2° | 109.5° |
| O33 | C32 | H36 | 109.3° | 109.5° |
| O33 | C32 | H37 | 109.3° | 109.4° |
| C32 | O33 | H38 | 109.5° | 114.0° |
| C22 | C23 | O25 | 109.1° | 109.4° |
| C23 | C22 | O79 | 109.3° | 109.5° |
| C23 | C22 | H27 | 108.5° | 109.5° |
| C22 | C23 | H28 | 108.1° | 109.5° |
| C23 | O25 | C26 | 109.0° | 114.0° |
| O25 | C23 | H28 | 109.3° | 109.5° |
| C32 | C30 | O31 | 108.2° | 109.5° |
| C32 | C30 | C29 | 111.7° | 109.5° |
| C32 | C30 | H35 | 108.4° | 109.5° |
| C30 | C32 | H36 | 109.3° | 109.5° |
| C30 | C32 | H37 | 109.3° | 109.5° |
| O79 | C22 | H27 | 109.7° | 109.5° |
| C22 | O79 | H80 | 109.5° | 114.0° |
| O31 | C30 | C29 | 110.3° | 109.4° |
| C30 | O31 | C26 | 110.0° | 114.1° |
| O31 | C30 | H35 | 109.8° | 109.5° |
| C30 | C29 | C28 | 111.2° | 109.2° |
| C30 | C29 | O34 | 109.2° | 109.5° |
| C30 | C29 | H34 | 108.6° | 109.6° |
| C29 | C30 | H35 | 108.4° | 109.5° |
| O31 | C26 | O25 | 109.5° | 109.5° |
| O31 | C26 | C27 | 107.6° | 109.4° |
| O31 | C26 | H31 | 109.5° | 109.5° |
| O25 | C26 | C27 | 112.6° | 109.5° |
| O25 | C26 | H31 | 109.4° | 109.5° |
| C26 | C27 | C28 | 107.0° | 109.2° |
| C26 | C27 | O78 | 110.2° | 109.5° |
| C27 | C26 | H31 | 108.2° | 109.5° |
| C26 | C27 | H32 | 109.2° | 109.5° |
| C28 | C29 | O34 | 109.4° | 109.5° |
| C29 | C28 | C27 | 110.2° | 109.0° |
| C29 | C28 | O77 | 110.7° | 109.6° |
| C29 | C28 | H33 | 108.2° | 109.6° |
| C28 | C29 | H34 | 108.5° | 109.5° |
| C29 | O34 | C35 | 113.6° | 114.0° |
| O34 | C29 | H34 | 109.9° | 109.6° |
| C39 | C41 | O42 | 110.1° | 109.4° |
| C41 | C39 | O40 | 110.0° | 109.5° |
| C41 | C39 | C38 | 111.7° | 109.4° |
| C41 | C39 | H43 | 108.3° | 109.5° |
| C39 | C41 | H44 | 109.3° | 109.5° |
| C39 | C41 | H45 | 109.3° | 109.4° |
| O42 | C41 | H44 | 109.3° | 109.5° |
| O42 | C41 | H45 | 109.3° | 109.5° |
| C41 | O42 | H46 | 109.5° | 114.0° |
| C27 | C28 | O77 | 110.1° | 109.6° |
| C28 | C27 | O78 | 110.9° | 109.5° |
| C28 | C27 | H32 | 109.1° | 109.6° |
| C27 | C28 | H33 | 108.3° | 109.5° |
| O77 | C28 | H33 | 109.4° | 109.5° |
| C28 | O77 | H78 | 109.5° | 114.0° |
| O78 | C27 | H32 | 110.4° | 109.5° |
| C27 | O78 | H79 | 109.5° | 114.0° |
| C39 | O40 | C35 | 113.0° | 114.1° |
| O40 | C39 | C38 | 108.7° | 109.4° |
| O40 | C39 | H43 | 109.7° | 109.5° |
| O40 | C35 | O34 | 109.9° | 109.5° |
| O40 | C35 | C36 | 110.1° | 109.4° |
| O40 | C35 | H39 | 110.0° | 109.5° |
| C39 | C38 | O43 | 110.1° | 109.6° |
| C39 | C38 | C37 | 109.2° | 109.2° |
| C39 | C38 | H42 | 108.7° | 109.6° |
| C38 | C39 | H43 | 108.4° | 109.5° |
| O34 | C35 | C36 | 108.0° | 109.5° |
| O34 | C35 | H39 | 110.0° | 109.5° |
| C35 | C36 | C37 | 111.2° | 109.2° |
| C35 | C36 | O54 | 109.2° | 109.5° |
| C36 | C35 | H39 | 108.8° | 109.5° |
| C35 | C36 | H40 | 108.8° | 109.5° |
| O43 | C38 | C37 | 110.2° | 109.5° |
| O43 | C38 | H42 | 109.9° | 109.5° |
| C38 | O43 | H47 | 109.5° | 114.0° |
| C38 | C37 | C36 | 109.8° | 109.1° |
| C38 | C37 | O44 | 109.9° | 109.5° |
| C38 | C37 | H41 | 108.6° | 109.6° |
| C37 | C38 | H42 | 108.7° | 109.4° |
| C37 | C36 | O54 | 109.0° | 109.5° |
| C36 | C37 | O44 | 110.0° | 109.6° |
| C37 | C36 | H40 | 108.7° | 109.5° |
| C36 | C37 | H41 | 108.6° | 109.5° |
| C36 | O54 | C55 | 115.4° | 114.0° |
| O54 | C36 | H40 | 110.0° | 109.6° |
| C37 | O44 | C45 | 111.5° | 114.0° |
| O44 | C37 | H41 | 109.9° | 109.6° |
| O54 | C55 | C56 | 109.0° | 109.5° |
| O54 | C55 | O60 | 110.3° | 109.5° |
| O54 | C55 | H57 | 109.1° | 109.5° |
| O76 | C56 | C55 | 109.7° | 109.6° |
| O76 | C56 | C57 | 109.4° | 109.5° |
| O76 | C56 | H58 | 110.2° | 109.6° |
| C56 | O76 | H77 | 109.5° | 114.0° |
| C49 | O50 | C45 | 111.8° | 114.1° |
| O50 | C49 | C48 | 109.1° | 109.4° |
| O50 | C49 | H52 | 109.6° | 109.5° |
| O50 | C49 | H53 | 109.6° | 109.5° |
| O50 | C45 | O44 | 109.5° | 109.5° |
| O50 | C45 | C46 | 109.8° | 109.4° |
| O50 | C45 | H48 | 109.8° | 109.5° |
| C55 | C56 | C57 | 109.5° | 109.2° |
| C56 | C55 | O60 | 111.3° | 109.4° |
| C56 | C55 | H57 | 107.9° | 109.4° |
| C55 | C56 | H58 | 108.9° | 109.5° |
| C56 | C57 | O64 | 110.7° | 109.5° |
| C56 | C57 | C58 | 108.1° | 109.0° |
| C57 | C56 | H58 | 109.0° | 109.5° |
| C56 | C57 | H59 | 108.5° | 109.6° |
| O44 | C45 | C46 | 109.4° | 109.5° |
| O44 | C45 | H48 | 109.8° | 109.5° |
| C55 | O60 | C59 | 115.2° | 114.1° |
| O60 | C55 | H57 | 109.1° | 109.5° |
| C49 | C48 | O51 | 109.7° | 109.6° |
| C49 | C48 | C47 | 110.0° | 109.2° |
| C49 | C48 | H51 | 108.6° | 109.6° |
| C48 | C49 | H52 | 109.6° | 109.5° |
| C48 | C49 | H53 | 109.6° | 109.5° |
| C45 | C46 | C47 | 110.6° | 109.2° |
| C45 | C46 | O53 | 110.0° | 109.5° |
| C46 | C45 | H48 | 108.5° | 109.5° |
| C45 | C46 | H49 | 108.6° | 109.5° |
| O60 | C59 | C58 | 109.7° | 109.4° |
| O60 | C59 | C61 | 109.2° | 109.5° |
| O60 | C59 | H61 | 109.6° | 109.5° |
| O63 | C58 | C57 | 109.5° | 109.5° |
| O63 | C58 | C59 | 111.0° | 109.6° |
| O63 | C58 | H60 | 110.1° | 109.6° |
| C58 | O63 | H65 | 109.5° | 114.0° |
| O75 | C66 | C65 | 109.8° | 109.5° |
| O75 | C66 | C67 | 109.6° | 109.5° |
| O75 | C66 | H67 | 109.7° | 109.6° |
| C66 | O75 | H76 | 109.5° | 114.0° |
| C57 | O64 | C65 | 111.0° | 114.0° |
| O64 | C57 | C58 | 111.2° | 109.5° |
| O64 | C57 | H59 | 109.8° | 109.7° |
| O64 | C65 | C66 | 108.9° | 109.5° |
| O64 | C65 | O70 | 109.9° | 109.5° |
| O64 | C65 | H66 | 109.8° | 109.5° |
| C57 | C58 | C59 | 108.4° | 109.2° |
| C58 | C57 | H59 | 108.5° | 109.5° |
| C57 | C58 | H60 | 108.9° | 109.5° |
| O62 | C61 | C59 | 110.2° | 109.5° |
| O62 | C61 | H62 | 109.3° | 109.5° |
| O62 | C61 | H63 | 109.3° | 109.5° |
| C61 | O62 | H64 | 109.5° | 114.0° |
| O51 | C48 | C47 | 110.1° | 109.5° |
| O51 | C48 | H51 | 109.8° | 109.5° |
| C48 | O51 | H54 | 109.5° | 114.0° |
| C48 | C47 | C46 | 110.5° | 109.0° |
| C48 | C47 | O52 | 110.4° | 109.6° |
| C48 | C47 | H50 | 108.3° | 109.6° |
| C47 | C48 | H51 | 108.6° | 109.5° |
| C58 | C59 | C61 | 111.6° | 109.5° |
| C59 | C58 | H60 | 108.8° | 109.5° |
| C58 | C59 | H61 | 108.3° | 109.5° |
| C61 | C59 | H61 | 108.4° | 109.5° |
| C59 | C61 | H62 | 109.3° | 109.5° |
| C59 | C61 | H63 | 109.3° | 109.4° |
| C47 | C46 | O53 | 109.2° | 109.5° |
| C46 | C47 | O52 | 109.7° | 109.5° |
| C47 | C46 | H49 | 108.6° | 109.5° |
| C46 | C47 | H50 | 108.4° | 109.5° |
| O53 | C46 | H49 | 109.8° | 109.6° |
| C46 | O53 | H56 | 109.5° | 114.0° |
| C65 | C66 | C67 | 110.8° | 109.1° |
| C66 | C65 | O70 | 109.8° | 109.4° |
| C66 | C65 | H66 | 108.5° | 109.5° |
| C65 | C66 | H67 | 108.4° | 109.5° |
| C66 | C67 | O74 | 109.8° | 109.5° |
| C66 | C67 | C68 | 109.1° | 109.1° |
| C67 | C66 | H67 | 108.5° | 109.6° |
| C66 | C67 | H68 | 108.8° | 109.5° |
| C65 | O70 | C69 | 113.1° | 114.1° |
| O70 | C65 | H66 | 109.8° | 109.5° |
| O52 | C47 | H50 | 109.5° | 109.5° |
| C47 | O52 | H55 | 109.5° | 114.0° |
| O74 | C67 | C68 | 110.3° | 109.5° |
| O74 | C67 | H68 | 110.0° | 109.6° |
| C67 | O74 | H75 | 109.5° | 114.0° |
| C67 | C68 | C69 | 110.2° | 109.1° |
| C67 | C68 | O73 | 110.2° | 109.6° |
| C68 | C67 | H68 | 108.8° | 109.6° |
| C67 | C68 | H69 | 108.5° | 109.5° |
| O70 | C69 | C68 | 109.9° | 109.4° |
| O70 | C69 | C71 | 109.8° | 109.5° |
| O70 | C69 | H70 | 109.8° | 109.5° |
| C69 | C68 | O73 | 110.0° | 109.5° |
| C68 | C69 | C71 | 110.3° | 109.5° |
| C69 | C68 | H69 | 108.4° | 109.5° |
| C68 | C69 | H70 | 108.5° | 109.5° |
| O73 | C68 | H69 | 109.6° | 109.6° |
| C68 | O73 | H74 | 109.5° | 114.0° |
| C69 | C71 | O72 | 109.5° | 109.4° |
| C71 | C69 | H70 | 108.5° | 109.5° |
| C69 | C71 | H71 | 109.5° | 109.5° |
| C69 | C71 | H72 | 109.4° | 109.5° |
| O72 | C71 | H71 | 109.5° | 109.5° |
| O72 | C71 | H72 | 109.5° | 109.4° |
| C71 | O72 | H73 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.4° | 109.6° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.9° |
| H16 | C14 | H17 | 109.5° | 109.1° |
| H20 | C17 | H21 | 109.4° | 109.4° |
| H22 | C18 | H23 | 109.5° | 109.4° |
| H25 | C21 | H26 | 109.4° | 109.4° |
| H29 | C24 | H30 | 109.4° | 109.5° |
| H36 | C32 | H37 | 109.5° | 109.5° |
| H44 | C41 | H45 | 109.5° | 109.5° |
| H52 | C49 | H53 | 109.4° | 109.4° |
| H62 | C61 | H63 | 109.5° | 109.4° |
| H71 | C71 | H72 | 109.5° | 109.4° |
| H81 | C80 | H82 | 109.5° | 109.4° |
| H81 | C80 | H83 | 109.5° | 109.5° |
| H82 | C80 | H83 | 109.5° | 109.4° |
| H84 | C81 | H85 | 109.5° | 109.5° |
| H84 | C81 | H86 | 109.5° | 109.5° |
| H85 | C81 | H86 | 109.5° | 109.5° |
| H88 | C83 | H89 | 109.4° | 109.5° |
| H88 | C83 | H90 | 109.5° | 109.5° |
| H89 | C83 | H90 | 109.5° | 109.5° |
| H91 | C85 | H92 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C85 | C03 | 121.4° | 119.9° |
| C01 | C02 | C85 | H4 | 119.3° | 120.1° |
| C01 | C02 | C03 | H4 | 119.7° | 120.1° |
| C01 | C02 | C85 | O84 | 178.7° | 178.1° |
| C01 | C02 | C03 | C04 | 172.0° | 177.4° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H5 | 51.7° | 57.6° |
| C01 | C02 | C03 | H6 | 67.8° | 62.7° |
| C01 | C02 | C85 | H91 | 61.2° | 61.9° |
| C01 | C02 | C85 | H92 | 58.7° | 58.2° |
| C85 | C02 | C03 | H4 | 119.3° | 119.9° |
| C02 | C85 | O84 | H91 | 120.0° | 120.0° |
| C02 | C85 | O84 | H92 | 120.1° | 120.0° |
| C85 | C02 | C03 | C04 | 51.0° | 57.5° |
| C02 | C85 | O84 | C05 | 65.1° | 60.2° |
| C85 | C02 | C01 | H1 | 180.0° | 60.0° |
| C85 | C02 | C01 | H2 | 60.0° | 179.9° |
| C85 | C02 | C01 | H3 | 60.0° | 60.0° |
| C85 | C02 | C03 | H5 | 69.3° | 62.3° |
| C85 | C02 | C03 | H6 | 171.2° | 177.3° |
| C02 | C85 | H91 | H92 | 119.8° | 120.1° |
| C03 | C02 | C85 | O84 | 57.3° | 58.2° |
| C02 | C03 | C04 | H5 | 120.3° | 119.8° |
| C02 | C03 | C04 | H6 | 120.3° | 119.9° |
| C02 | C03 | C04 | C05 | 50.5° | 56.1° |
| C03 | C02 | C01 | H1 | 59.1° | 179.8° |
| C03 | C02 | C01 | H2 | 60.9° | 60.3° |
| C03 | C02 | C01 | H3 | 179.0° | 59.8° |
| C02 | C03 | H5 | H6 | 119.3° | 120.3° |
| C02 | C03 | C04 | H7 | 170.7° | 176.1° |
| C02 | C03 | C04 | H8 | 69.7° | 63.9° |
| C03 | C02 | C85 | H91 | 177.4° | 178.2° |
| C03 | C02 | C85 | H92 | 62.7° | 61.8° |
| C85 | O84 | C05 | C04 | 63.4° | 59.5° |
| C85 | O84 | C05 | O09 | 62.8° | 62.8° |
| C85 | O84 | C05 | C06 | 177.2° | 178.5° |
| O84 | C85 | C02 | H4 | 62.0° | 61.8° |
| O84 | C85 | H91 | H92 | 119.8° | 120.0° |
| C03 | C04 | C05 | O84 | 55.3° | 56.1° |
| C03 | C04 | C05 | H7 | 120.2° | 120.0° |
| C03 | C04 | C05 | H8 | 120.2° | 119.9° |
| C03 | C04 | C05 | O09 | 69.3° | 66.3° |
| C03 | C04 | C05 | C06 | 173.2° | 178.0° |
| C04 | C03 | C02 | H4 | 68.3° | 62.5° |
| C04 | C03 | H5 | H6 | 119.3° | 120.3° |
| C03 | C04 | H7 | H8 | 119.3° | 120.0° |
| O84 | C05 | C04 | O09 | 124.6° | 122.3° |
| O84 | C05 | C04 | C06 | 118.0° | 121.9° |
| O84 | C05 | O09 | C06 | 116.0° | 118.7° |
| O84 | C05 | O09 | C08 | 77.0° | 78.2° |
| O84 | C05 | C06 | C83 | 33.1° | 24.6° |
| O84 | C05 | C06 | C07 | 87.6° | 94.1° |
| O84 | C05 | C04 | H7 | 175.5° | 176.1° |
| O84 | C05 | C04 | H8 | 65.0° | 63.8° |
| O84 | C05 | C06 | H9 | 155.2° | 147.3° |
| C05 | O84 | C85 | H91 | 174.9° | 179.8° |
| C05 | O84 | C85 | H92 | 55.0° | 59.8° |
| C04 | C05 | O09 | C06 | 120.3° | 118.7° |
| C04 | C05 | O09 | C08 | 159.2° | 159.1° |
| C04 | C05 | C06 | C83 | 85.9° | 97.8° |
| C04 | C05 | C06 | C07 | 153.4° | 143.5° |
| C05 | C04 | C03 | H5 | 69.8° | 63.8° |
| C05 | C04 | C03 | H6 | 170.8° | 175.9° |
| C05 | C04 | H7 | H8 | 119.3° | 120.1° |
| C04 | C05 | C06 | H9 | 36.2° | 24.9° |
| C05 | O09 | C08 | C10 | 148.7° | 152.4° |
| C05 | O09 | C08 | C07 | 30.8° | 39.3° |
| O09 | C05 | C06 | C83 | 151.3° | 143.4° |
| O09 | C05 | C06 | C07 | 30.6° | 24.7° |
| O09 | C05 | C04 | H7 | 50.9° | 53.7° |
| O09 | C05 | C04 | H8 | 170.5° | 173.8° |
| O09 | C05 | C06 | H9 | 86.6° | 93.9° |
| C05 | O09 | C08 | H11 | 86.4° | 82.9° |
| C06 | C05 | O09 | C08 | 39.0° | 40.5° |
| C05 | C06 | C07 | C08 | 11.8° | 1.3° |
| C05 | C06 | C83 | C07 | 115.4° | 114.7° |
| C05 | C06 | C83 | H9 | 122.2° | 122.6° |
| C05 | C06 | C07 | H9 | 117.2° | 118.6° |
| C05 | C06 | C07 | C12 | 130.4° | 110.8° |
| C06 | C05 | C04 | H7 | 66.5° | 62.0° |
| C06 | C05 | C04 | H8 | 53.0° | 58.1° |
| C05 | C06 | C07 | H10 | 104.8° | 122.4° |
| C05 | C06 | C83 | H88 | 180.0° | 58.5° |
| C05 | C06 | C83 | H89 | 60.0° | 178.5° |
| C05 | C06 | C83 | H90 | 60.0° | 61.5° |
| O09 | C08 | C10 | C07 | 117.6° | 112.1° |
| O09 | C08 | C10 | H11 | 125.5° | 125.2° |
| O09 | C08 | C07 | H11 | 118.0° | 122.7° |
| O09 | C08 | C07 | C06 | 10.8° | 22.3° |
| O09 | C08 | C10 | O82 | 16.1° | 2.2° |
| O09 | C08 | C10 | C11 | 138.1° | 116.8° |
| O09 | C08 | C07 | C12 | 115.8° | 92.0° |
| O09 | C08 | C07 | H10 | 127.6° | 145.4° |
| O09 | C08 | C10 | H12 | 106.7° | 124.1° |
| C10 | C08 | C07 | H11 | 116.8° | 122.6° |
| C10 | C08 | C07 | C06 | 136.0° | 137.1° |
| C08 | C10 | O82 | C11 | 114.2° | 116.0° |
| C08 | C10 | O82 | H12 | 122.0° | 121.9° |
| C08 | C10 | C11 | H12 | 115.2° | 119.0° |
| C10 | C08 | C07 | C12 | 9.4° | 22.8° |
| C08 | C10 | C11 | C12 | 43.4° | 30.0° |
| C08 | C10 | C11 | C16 | 171.5° | 147.8° |
| C10 | C08 | C07 | H10 | 107.3° | 99.8° |
| C08 | C10 | C11 | H13 | 67.7° | 86.9° |
| C08 | C10 | O82 | H87 | 180.0° | 61.5° |
| C08 | C07 | C06 | C83 | 132.2° | 120.0° |
| C08 | C07 | C06 | C12 | 118.6° | 109.5° |
| C08 | C07 | C06 | H10 | 116.6° | 123.7° |
| C07 | C08 | C10 | O82 | 101.5° | 114.4° |
| C07 | C08 | C10 | C11 | 20.5° | 4.6° |
| C08 | C07 | C12 | H10 | 116.6° | 123.2° |
| C08 | C07 | C12 | C11 | 35.4° | 40.9° |
| C08 | C07 | C12 | C81 | 83.7° | 76.4° |
| C08 | C07 | C12 | C13 | 150.6° | 156.6° |
| C08 | C07 | C06 | H9 | 105.4° | 117.3° |
| C07 | C08 | C10 | H12 | 135.7° | 123.7° |
| C83 | C06 | C07 | H9 | 122.4° | 122.7° |
| C83 | C06 | C07 | C12 | 109.2° | 130.5° |
| C83 | C06 | C07 | H10 | 15.6° | 3.7° |
| C06 | C83 | H88 | H89 | 120.0° | 120.0° |
| C06 | C83 | H88 | H90 | 120.0° | 120.0° |
| C06 | C83 | H89 | H90 | 120.0° | 120.0° |
| C06 | C07 | C12 | H10 | 124.9° | 126.7° |
| C06 | C07 | C12 | C11 | 153.9° | 151.0° |
| C06 | C07 | C12 | C81 | 34.8° | 33.7° |
| C06 | C07 | C12 | C13 | 90.9° | 93.3° |
| C06 | C07 | C08 | H11 | 107.2° | 100.3° |
| C07 | C06 | C83 | H88 | 64.6° | 56.2° |
| C07 | C06 | C83 | H89 | 175.4° | 63.8° |
| C07 | C06 | C83 | H90 | 55.4° | 176.2° |
| O82 | C10 | C11 | H12 | 124.6° | 122.0° |
| O82 | C10 | C11 | C12 | 76.7° | 89.0° |
| O82 | C10 | C11 | C16 | 51.4° | 28.8° |
| O82 | C10 | C08 | H11 | 141.7° | 123.0° |
| O82 | C10 | C11 | H13 | 172.1° | 154.2° |
| C10 | C11 | C12 | C07 | 49.0° | 44.5° |
| C10 | C11 | C12 | C16 | 133.0° | 124.1° |
| C10 | C11 | C12 | H13 | 111.1° | 116.9° |
| C10 | C11 | C16 | H13 | 120.7° | 125.4° |
| C10 | C11 | C12 | C81 | 69.1° | 72.8° |
| C10 | C11 | C12 | C13 | 168.0° | 166.3° |
| C10 | C11 | C16 | C17 | 53.3° | 61.3° |
| C10 | C11 | C16 | C15 | 176.5° | 180.0° |
| C11 | C10 | C08 | H11 | 96.4° | 118.0° |
| C10 | C11 | C16 | H19 | 66.7° | 60.9° |
| C11 | C10 | O82 | H87 | 65.8° | 177.5° |
| C07 | C12 | C11 | C81 | 118.1° | 117.2° |
| C07 | C12 | C11 | C13 | 119.1° | 121.9° |
| C07 | C12 | C11 | C16 | 178.0° | 168.5° |
| C07 | C12 | C81 | C13 | 127.4° | 129.6° |
| C07 | C12 | C13 | C14 | 166.7° | 176.8° |
| C12 | C07 | C06 | H9 | 13.2° | 7.8° |
| C12 | C07 | C08 | H11 | 126.2° | 145.4° |
| C07 | C12 | C11 | H13 | 62.1° | 72.4° |
| C07 | C12 | C13 | H14 | 73.3° | 63.7° |
| C07 | C12 | C13 | H15 | 46.8° | 57.4° |
| C07 | C12 | C81 | H84 | 180.0° | 69.0° |
| C07 | C12 | C81 | H85 | 60.0° | 171.0° |
| C07 | C12 | C81 | H86 | 60.0° | 51.0° |
| C12 | C11 | C16 | H13 | 116.0° | 119.1° |
| C11 | C12 | C81 | C13 | 121.8° | 118.6° |
| C12 | C11 | C16 | C17 | 176.6° | 176.7° |
| C11 | C12 | C13 | C14 | 57.1° | 64.1° |
| C12 | C11 | C16 | C15 | 60.2° | 64.5° |
| C11 | C12 | C07 | H10 | 81.2° | 82.3° |
| C12 | C11 | C10 | H12 | 158.7° | 149.0° |
| C11 | C12 | C13 | H14 | 177.0° | 176.4° |
| C11 | C12 | C13 | H15 | 62.8° | 55.4° |
| C12 | C11 | C16 | H19 | 56.7° | 54.6° |
| C11 | C12 | C81 | H84 | 69.2° | 179.2° |
| C11 | C12 | C81 | H85 | 50.8° | 59.2° |
| C11 | C12 | C81 | H86 | 170.8° | 60.8° |
| C16 | C11 | C12 | C81 | 63.9° | 51.3° |
| C16 | C11 | C12 | C13 | 58.9° | 69.6° |
| C11 | C16 | C17 | C15 | 119.7° | 117.5° |
| C11 | C16 | C17 | H19 | 119.9° | 121.6° |
| C11 | C16 | C17 | C18 | 171.7° | 177.8° |
| C11 | C16 | C15 | H19 | 116.9° | 119.1° |
| C11 | C16 | C15 | C14 | 60.4° | 57.9° |
| C11 | C16 | C15 | C20 | 173.4° | 179.9° |
| C16 | C11 | C10 | H12 | 73.2° | 93.2° |
| C11 | C16 | C15 | H18 | 55.0° | 61.7° |
| C11 | C16 | C17 | H20 | 51.6° | 57.8° |
| C11 | C16 | C17 | H21 | 68.2° | 62.2° |
| C81 | C12 | C13 | C14 | 67.1° | 56.5° |
| C81 | C12 | C07 | H10 | 159.7° | 160.4° |
| C81 | C12 | C11 | H13 | 179.8° | 170.4° |
| C81 | C12 | C13 | H14 | 52.8° | 63.0° |
| C81 | C12 | C13 | H15 | 172.9° | 175.9° |
| C12 | C81 | H84 | H85 | 120.0° | 120.0° |
| C12 | C81 | H84 | H86 | 120.0° | 120.0° |
| C12 | C81 | H85 | H86 | 120.0° | 120.0° |
| C12 | C13 | C14 | H14 | 119.9° | 119.5° |
| C12 | C13 | C14 | H15 | 119.9° | 119.5° |
| C12 | C13 | C14 | C15 | 61.5° | 57.8° |
| C13 | C12 | C07 | H10 | 34.0° | 33.4° |
| C13 | C12 | C11 | H13 | 57.0° | 49.5° |
| C12 | C13 | H14 | H15 | 120.2° | 121.0° |
| C12 | C13 | C14 | H16 | 58.6° | 62.7° |
| C12 | C13 | C14 | H17 | 178.4° | 178.2° |
| C13 | C12 | C81 | H84 | 52.6° | 60.6° |
| C13 | C12 | C81 | H85 | 172.6° | 59.4° |
| C13 | C12 | C81 | H86 | 67.4° | 179.4° |
| C16 | C17 | C18 | H20 | 120.1° | 120.0° |
| C16 | C17 | C18 | H21 | 120.1° | 120.0° |
| C17 | C16 | C15 | H19 | 120.4° | 121.3° |
| C17 | C16 | C15 | C14 | 177.0° | 177.5° |
| C17 | C16 | C15 | C20 | 50.8° | 60.5° |
| C16 | C17 | C18 | C19 | 58.1° | 60.1° |
| C17 | C16 | C11 | H13 | 67.4° | 64.2° |
| C17 | C16 | C15 | H18 | 67.7° | 57.9° |
| C16 | C17 | H20 | H21 | 119.7° | 120.0° |
| C16 | C17 | C18 | H22 | 178.1° | 179.8° |
| C16 | C17 | C18 | H23 | 62.0° | 59.9° |
| C18 | C17 | C16 | C15 | 52.0° | 60.3° |
| C17 | C18 | C19 | H22 | 120.1° | 120.0° |
| C17 | C18 | C19 | H23 | 120.0° | 120.0° |
| C17 | C18 | C19 | C20 | 63.4° | 59.9° |
| C17 | C18 | C19 | C24 | 171.4° | 180.0° |
| C18 | C17 | C16 | H19 | 68.4° | 60.5° |
| C18 | C17 | H20 | H21 | 119.7° | 120.0° |
| C17 | C18 | H22 | H23 | 119.9° | 119.9° |
| C17 | C18 | C19 | H24 | 54.7° | 60.1° |
| C13 | C14 | C15 | C16 | 63.6° | 55.2° |
| C13 | C14 | C15 | H16 | 120.1° | 120.5° |
| C13 | C14 | C15 | H17 | 120.1° | 120.5° |
| C13 | C14 | C15 | C20 | 169.3° | 176.7° |
| C14 | C13 | H14 | H15 | 120.2° | 121.0° |
| C13 | C14 | H16 | H17 | 119.6° | 119.1° |
| C13 | C14 | C15 | H18 | 51.7° | 64.0° |
| C16 | C15 | C14 | C20 | 127.1° | 121.5° |
| C16 | C15 | C14 | H18 | 115.3° | 119.2° |
| C16 | C15 | C20 | H18 | 118.5° | 118.0° |
| C16 | C15 | C20 | C19 | 52.6° | 60.4° |
| C16 | C15 | C20 | C21 | 169.4° | 179.8° |
| C16 | C15 | C20 | C80 | 70.6° | 59.6° |
| C15 | C16 | C11 | H13 | 55.8° | 54.6° |
| C16 | C15 | C14 | H16 | 56.5° | 65.3° |
| C16 | C15 | C14 | H17 | 176.3° | 175.6° |
| C15 | C16 | C17 | H20 | 68.1° | 59.7° |
| C15 | C16 | C17 | H21 | 172.1° | 179.7° |
| C14 | C15 | C20 | H18 | 117.6° | 119.3° |
| C14 | C15 | C20 | C19 | 176.6° | 176.9° |
| C14 | C15 | C20 | C21 | 66.6° | 57.1° |
| C14 | C15 | C20 | C80 | 53.4° | 63.1° |
| C15 | C14 | C13 | H14 | 178.6° | 177.3° |
| C15 | C14 | C13 | H15 | 58.4° | 61.7° |
| C15 | C14 | H16 | H17 | 119.6° | 119.0° |
| C14 | C15 | C16 | H19 | 56.5° | 61.2° |
| C15 | C20 | C19 | C18 | 58.8° | 60.1° |
| C15 | C20 | C19 | C21 | 119.2° | 119.8° |
| C15 | C20 | C19 | C80 | 121.1° | 120.0° |
| C15 | C20 | C19 | C24 | 178.0° | 179.8° |
| C15 | C20 | C21 | C80 | 120.4° | 120.2° |
| C15 | C20 | C21 | C22 | 179.9° | 179.7° |
| C20 | C15 | C14 | H16 | 70.6° | 56.1° |
| C20 | C15 | C14 | H17 | 49.1° | 62.9° |
| C20 | C15 | C16 | H19 | 69.6° | 60.8° |
| C15 | C20 | C19 | H24 | 59.2° | 59.8° |
| C15 | C20 | C21 | H25 | 59.8° | 60.2° |
| C15 | C20 | C21 | H26 | 59.6° | 59.6° |
| C15 | C20 | C80 | H81 | 180.0° | 60.0° |
| C15 | C20 | C80 | H82 | 60.0° | 180.0° |
| C15 | C20 | C80 | H83 | 60.0° | 60.0° |
| C18 | C19 | C20 | C24 | 123.2° | 120.1° |
| C18 | C19 | C20 | H24 | 118.0° | 119.9° |
| C18 | C19 | C24 | H24 | 116.8° | 119.9° |
| C18 | C19 | C20 | C21 | 178.0° | 180.0° |
| C18 | C19 | C20 | C80 | 62.3° | 59.9° |
| C18 | C19 | C24 | C23 | 174.5° | 179.8° |
| C19 | C18 | C17 | H20 | 62.0° | 59.9° |
| C19 | C18 | C17 | H21 | 178.2° | 179.9° |
| C19 | C18 | H22 | H23 | 119.9° | 120.0° |
| C18 | C19 | C24 | H29 | 64.8° | 59.8° |
| C18 | C19 | C24 | H30 | 53.8° | 60.2° |
| C20 | C19 | C24 | H24 | 118.9° | 120.0° |
| C19 | C20 | C21 | C80 | 122.3° | 120.0° |
| C19 | C20 | C21 | C22 | 62.6° | 59.9° |
| C20 | C19 | C24 | C23 | 50.1° | 60.1° |
| C19 | C20 | C15 | H18 | 65.9° | 57.6° |
| C20 | C19 | C18 | H22 | 176.6° | 179.9° |
| C20 | C19 | C18 | H23 | 56.7° | 60.1° |
| C19 | C20 | C21 | H25 | 177.1° | 180.0° |
| C19 | C20 | C21 | H26 | 57.7° | 60.1° |
| C20 | C19 | C24 | H29 | 170.8° | 179.9° |
| C20 | C19 | C24 | H30 | 70.6° | 59.9° |
| C19 | C20 | C80 | H81 | 59.8° | 179.9° |
| C19 | C20 | C80 | H82 | 60.2° | 60.1° |
| C19 | C20 | C80 | H83 | 179.9° | 59.9° |
| C24 | C19 | C20 | C21 | 58.8° | 60.0° |
| C24 | C19 | C20 | C80 | 60.9° | 60.2° |
| C19 | C24 | C23 | H29 | 120.6° | 120.0° |
| C19 | C24 | C23 | H30 | 120.7° | 120.0° |
| C19 | C24 | C23 | C22 | 42.5° | 60.0° |
| C19 | C24 | C23 | O25 | 164.1° | 179.9° |
| C24 | C19 | C18 | H22 | 51.3° | 59.9° |
| C24 | C19 | C18 | H23 | 68.6° | 60.0° |
| C19 | C24 | C23 | H28 | 77.5° | 60.0° |
| C19 | C24 | H29 | H30 | 117.9° | 120.0° |
| C20 | C21 | C22 | H25 | 120.3° | 120.1° |
| C20 | C21 | C22 | H26 | 120.3° | 120.1° |
| C20 | C21 | C22 | C23 | 57.1° | 60.0° |
| C20 | C21 | C22 | O79 | 178.1° | 180.0° |
| C21 | C20 | C15 | H18 | 50.9° | 62.2° |
| C21 | C20 | C19 | H24 | 60.0° | 60.0° |
| C20 | C21 | H25 | H26 | 119.1° | 119.9° |
| C20 | C21 | C22 | H27 | 62.6° | 60.0° |
| C21 | C20 | C80 | H81 | 58.8° | 60.1° |
| C21 | C20 | C80 | H82 | 178.9° | 59.9° |
| C21 | C20 | C80 | H83 | 61.2° | 179.9° |
| C80 | C20 | C21 | C22 | 59.7° | 60.1° |
| C80 | C20 | C15 | H18 | 170.9° | 177.6° |
| C80 | C20 | C19 | H24 | 179.7° | 179.9° |
| C80 | C20 | C21 | H25 | 60.6° | 59.9° |
| C80 | C20 | C21 | H26 | 180.0° | 179.8° |
| C20 | C80 | H81 | H82 | 120.0° | 120.0° |
| C20 | C80 | H81 | H83 | 120.0° | 120.0° |
| C20 | C80 | H82 | H83 | 120.0° | 120.0° |
| C21 | C22 | C23 | C24 | 45.7° | 60.0° |
| C21 | C22 | C23 | O79 | 120.7° | 120.0° |
| C21 | C22 | C23 | H27 | 119.7° | 120.0° |
| C21 | C22 | C23 | O25 | 167.0° | 179.9° |
| C21 | C22 | O79 | H27 | 118.6° | 120.0° |
| C22 | C21 | H25 | H26 | 119.1° | 119.9° |
| C21 | C22 | C23 | H28 | 74.2° | 60.0° |
| C21 | C22 | O79 | H80 | 180.0° | 174.6° |
| C24 | C23 | C22 | O25 | 121.3° | 120.0° |
| C24 | C23 | C22 | H28 | 119.9° | 120.0° |
| C24 | C23 | O25 | H28 | 117.7° | 120.0° |
| C24 | C23 | C22 | O79 | 166.4° | 180.0° |
| C24 | C23 | O25 | C26 | 90.7° | 119.0° |
| C23 | C24 | C19 | H24 | 68.7° | 60.0° |
| C24 | C23 | C22 | H27 | 74.0° | 60.0° |
| C23 | C24 | H29 | H30 | 118.0° | 120.0° |
| O33 | C32 | C30 | H36 | 120.1° | 120.0° |
| O33 | C32 | C30 | H37 | 120.1° | 120.0° |
| O33 | C32 | C30 | O31 | 179.0° | 65.0° |
| O33 | C32 | C30 | C29 | 57.5° | 175.1° |
| O33 | C32 | C30 | H35 | 62.0° | 55.1° |
| O33 | C32 | H36 | H37 | 119.7° | 120.0° |
| C22 | C23 | O25 | H28 | 118.0° | 120.0° |
| C23 | C22 | O79 | H27 | 118.8° | 120.0° |
| C22 | C23 | O25 | C26 | 144.9° | 121.1° |
| C23 | C22 | C21 | H25 | 177.4° | 179.9° |
| C23 | C22 | C21 | H26 | 63.2° | 60.1° |
| C22 | C23 | C24 | H29 | 163.1° | 180.0° |
| C22 | C23 | C24 | H30 | 78.2° | 60.0° |
| C23 | C22 | O79 | H80 | 57.4° | 65.4° |
| O25 | C23 | C22 | O79 | 72.3° | 60.1° |
| C23 | O25 | C26 | O31 | 77.1° | 70.2° |
| C23 | O25 | C26 | C27 | 163.3° | 169.9° |
| O25 | C23 | C22 | H27 | 47.3° | 60.0° |
| O25 | C23 | C24 | H29 | 75.3° | 60.0° |
| O25 | C23 | C24 | H30 | 43.4° | 60.0° |
| C23 | O25 | C26 | H31 | 43.0° | 49.9° |
| C32 | C30 | O31 | C29 | 122.4° | 119.9° |
| C32 | C30 | O31 | H35 | 118.2° | 120.0° |
| C32 | C30 | C29 | H35 | 119.4° | 120.0° |
| C32 | C30 | O31 | C26 | 174.7° | 178.8° |
| C32 | C30 | C29 | C28 | 172.0° | 177.6° |
| C32 | C30 | C29 | O34 | 51.2° | 57.7° |
| C32 | C30 | C29 | H34 | 68.6° | 62.5° |
| C30 | C32 | H36 | H37 | 119.7° | 120.0° |
| C30 | C32 | O33 | H38 | 180.0° | 180.0° |
| O79 | C22 | C21 | H25 | 61.6° | 59.9° |
| O79 | C22 | C21 | H26 | 57.8° | 59.9° |
| O79 | C22 | C23 | H28 | 46.5° | 60.0° |
| O31 | C30 | C29 | H35 | 120.3° | 120.0° |
| C30 | O31 | C26 | O25 | 166.5° | 178.9° |
| C30 | O31 | C26 | C27 | 70.9° | 61.2° |
| O31 | C30 | C29 | C28 | 51.7° | 57.6° |
| O31 | C30 | C29 | O34 | 69.1° | 62.2° |
| C30 | O31 | C26 | H31 | 46.5° | 58.8° |
| O31 | C30 | C29 | H34 | 171.1° | 177.5° |
| O31 | C30 | C32 | H36 | 60.9° | 175.0° |
| O31 | C30 | C32 | H37 | 58.9° | 55.0° |
| C29 | C30 | O31 | C26 | 62.9° | 61.2° |
| C30 | C29 | C28 | O34 | 120.8° | 119.9° |
| C30 | C29 | C28 | H34 | 119.4° | 119.9° |
| C30 | C29 | O34 | H34 | 119.0° | 120.2° |
| C30 | C29 | C28 | C27 | 49.4° | 57.0° |
| C30 | C29 | C28 | O77 | 171.4° | 176.9° |
| C30 | C29 | O34 | C35 | 112.1° | 147.2° |
| C30 | C29 | C28 | H33 | 68.7° | 62.9° |
| C29 | C30 | C32 | H36 | 177.6° | 55.1° |
| C29 | C30 | C32 | H37 | 62.6° | 64.9° |
| O31 | C26 | O25 | C27 | 119.6° | 119.9° |
| O31 | C26 | O25 | H31 | 120.0° | 120.1° |
| O31 | C26 | C27 | H31 | 118.2° | 120.0° |
| O31 | C26 | C27 | C28 | 66.1° | 57.6° |
| O31 | C26 | C27 | O78 | 173.2° | 177.5° |
| O31 | C26 | C27 | H32 | 51.8° | 62.4° |
| C26 | O31 | C30 | H35 | 56.5° | 58.8° |
| O25 | C26 | C27 | H31 | 121.1° | 120.0° |
| O25 | C26 | C27 | C28 | 173.1° | 177.6° |
| O25 | C26 | C27 | O78 | 52.5° | 62.5° |
| C26 | O25 | C23 | H28 | 26.9° | 1.1° |
| O25 | C26 | C27 | H32 | 68.9° | 57.6° |
| C26 | C27 | C28 | C29 | 55.8° | 57.0° |
| C26 | C27 | C28 | O78 | 120.3° | 119.9° |
| C26 | C27 | C28 | H32 | 118.0° | 120.0° |
| C26 | C27 | C28 | O77 | 178.1° | 176.9° |
| C26 | C27 | O78 | H32 | 120.7° | 120.1° |
| C26 | C27 | C28 | H33 | 62.3° | 63.0° |
| C26 | C27 | O78 | H79 | 180.0° | 60.0° |
| C28 | C29 | O34 | H34 | 119.1° | 120.1° |
| C29 | C28 | C27 | O77 | 122.3° | 119.9° |
| C29 | C28 | C27 | H33 | 118.1° | 119.9° |
| C29 | C28 | O77 | H33 | 119.1° | 120.3° |
| C29 | C28 | C27 | O78 | 176.1° | 176.9° |
| C28 | C29 | O34 | C35 | 125.9° | 93.1° |
| C29 | C28 | C27 | H32 | 62.2° | 63.0° |
| C28 | C29 | C30 | H35 | 68.6° | 62.4° |
| C29 | C28 | O77 | H78 | 180.0° | 179.5° |
| O34 | C29 | C28 | C27 | 71.3° | 62.9° |
| O34 | C29 | C28 | O77 | 50.6° | 56.9° |
| C29 | O34 | C35 | O40 | 85.9° | 70.7° |
| C29 | O34 | C35 | C36 | 154.0° | 169.3° |
| O34 | C29 | C28 | H33 | 170.5° | 177.2° |
| O34 | C29 | C30 | H35 | 170.6° | 177.7° |
| C29 | O34 | C35 | H39 | 35.5° | 49.3° |
| C39 | C41 | O42 | H44 | 120.1° | 120.0° |
| C39 | C41 | O42 | H45 | 120.1° | 120.0° |
| C41 | C39 | O40 | C38 | 122.6° | 120.0° |
| C41 | C39 | O40 | H43 | 119.1° | 120.1° |
| C41 | C39 | O40 | C35 | 173.3° | 178.9° |
| C41 | C39 | C38 | H43 | 119.3° | 120.0° |
| C41 | C39 | C38 | O43 | 56.8° | 62.5° |
| C41 | C39 | C38 | C37 | 178.0° | 177.6° |
| C41 | C39 | C38 | H42 | 63.6° | 57.7° |
| C39 | C41 | H44 | H45 | 119.7° | 120.0° |
| C39 | C41 | O42 | H46 | 180.0° | 180.0° |
| O42 | C41 | C39 | O40 | 92.4° | 65.1° |
| O42 | C41 | C39 | C38 | 28.3° | 175.0° |
| O42 | C41 | C39 | H43 | 147.7° | 55.0° |
| O42 | C41 | H44 | H45 | 119.7° | 120.1° |
| C27 | C28 | O77 | H33 | 118.9° | 120.2° |
| C28 | C27 | O78 | H32 | 121.0° | 120.2° |
| C28 | C27 | C26 | H31 | 52.1° | 62.4° |
| C27 | C28 | C29 | H34 | 168.8° | 176.9° |
| C27 | C28 | O77 | H78 | 58.0° | 60.0° |
| C28 | C27 | O78 | H79 | 61.6° | 179.7° |
| O77 | C28 | C27 | O78 | 61.6° | 63.2° |
| O77 | C28 | C27 | H32 | 60.1° | 56.9° |
| O77 | C28 | C29 | H34 | 69.3° | 63.2° |
| O78 | C27 | C26 | H31 | 68.6° | 57.5° |
| O78 | C27 | C28 | H33 | 57.9° | 56.9° |
| O40 | C39 | C38 | H43 | 119.1° | 120.0° |
| C39 | O40 | C35 | O34 | 179.2° | 178.9° |
| C39 | O40 | C35 | C36 | 60.3° | 61.2° |
| O40 | C39 | C38 | O43 | 178.4° | 177.6° |
| O40 | C39 | C38 | C37 | 60.4° | 57.6° |
| C39 | O40 | C35 | H39 | 59.5° | 58.8° |
| O40 | C39 | C38 | H42 | 58.0° | 62.3° |
| O40 | C39 | C41 | H44 | 27.7° | 174.9° |
| O40 | C39 | C41 | H45 | 147.5° | 54.9° |
| C35 | O40 | C39 | C38 | 64.1° | 61.2° |
| O40 | C35 | O34 | C36 | 120.2° | 119.9° |
| O40 | C35 | O34 | H39 | 121.3° | 120.0° |
| O40 | C35 | C36 | H39 | 120.6° | 120.0° |
| O40 | C35 | C36 | C37 | 53.3° | 57.6° |
| O40 | C35 | C36 | O54 | 173.6° | 177.5° |
| O40 | C35 | C36 | H40 | 66.4° | 62.3° |
| C35 | O40 | C39 | H43 | 54.2° | 58.8° |
| C39 | C38 | O43 | C37 | 120.5° | 119.7° |
| C39 | C38 | O43 | H42 | 119.7° | 120.2° |
| C39 | C38 | C37 | H42 | 118.4° | 119.9° |
| C39 | C38 | C37 | C36 | 55.4° | 56.9° |
| C39 | C38 | C37 | O44 | 176.5° | 176.8° |
| C39 | C38 | C37 | H41 | 63.2° | 62.9° |
| C38 | C39 | C41 | H44 | 148.4° | 55.0° |
| C38 | C39 | C41 | H45 | 91.7° | 65.0° |
| C39 | C38 | O43 | H47 | 180.0° | 60.2° |
| O34 | C35 | C36 | H39 | 119.3° | 120.1° |
| O34 | C35 | C36 | C37 | 173.3° | 177.6° |
| O34 | C35 | C36 | O54 | 66.4° | 62.5° |
| C35 | O34 | C29 | H34 | 6.8° | 27.0° |
| O34 | C35 | C36 | H40 | 53.6° | 57.7° |
| C35 | C36 | C37 | C38 | 52.2° | 56.9° |
| C35 | C36 | C37 | O54 | 120.5° | 119.9° |
| C35 | C36 | C37 | H40 | 119.7° | 119.9° |
| C35 | C36 | O54 | H40 | 119.3° | 120.1° |
| C35 | C36 | C37 | O44 | 173.2° | 176.8° |
| C35 | C36 | O54 | C55 | 139.1° | 134.0° |
| C35 | C36 | C37 | H41 | 66.5° | 62.9° |
| O43 | C38 | C37 | H42 | 120.5° | 120.1° |
| O43 | C38 | C37 | C36 | 176.5° | 176.9° |
| O43 | C38 | C37 | O44 | 62.4° | 63.2° |
| O43 | C38 | C37 | H41 | 57.9° | 57.1° |
| O43 | C38 | C39 | H43 | 62.5° | 57.6° |
| C38 | C37 | C36 | O44 | 121.0° | 119.9° |
| C38 | C37 | C36 | H41 | 118.7° | 119.9° |
| C38 | C37 | C36 | O54 | 172.6° | 176.8° |
| C38 | C37 | O44 | H41 | 119.5° | 120.2° |
| C38 | C37 | O44 | C45 | 116.9° | 90.4° |
| C38 | C37 | C36 | H40 | 67.6° | 62.9° |
| C37 | C38 | C39 | H43 | 58.7° | 62.4° |
| C37 | C38 | O43 | H47 | 59.5° | 180.0° |
| C37 | C36 | O54 | H40 | 119.1° | 120.2° |
| C36 | C37 | O44 | H41 | 119.5° | 120.2° |
| C37 | C36 | O54 | C55 | 99.2° | 106.3° |
| C36 | C37 | O44 | C45 | 122.1° | 150.0° |
| C37 | C36 | C35 | H39 | 67.3° | 62.4° |
| C36 | C37 | C38 | H42 | 63.0° | 63.0° |
| O54 | C36 | C37 | O44 | 66.3° | 63.3° |
| C36 | O54 | C55 | C56 | 106.6° | 169.5° |
| C36 | O54 | C55 | O60 | 15.9° | 70.6° |
| O54 | C36 | C35 | H39 | 53.0° | 57.6° |
| O54 | C36 | C37 | H41 | 54.0° | 56.9° |
| C36 | O54 | C55 | H57 | 135.8° | 49.5° |
| C37 | O44 | C45 | O50 | 63.1° | 65.1° |
| C37 | O44 | C45 | C46 | 176.5° | 174.9° |
| O44 | C37 | C36 | H40 | 53.5° | 57.0° |
| O44 | C37 | C38 | H42 | 58.1° | 56.9° |
| C37 | O44 | C45 | H48 | 57.6° | 54.9° |
| O54 | C55 | C56 | O76 | 64.1° | 62.5° |
| O54 | C55 | C56 | O60 | 121.9° | 120.0° |
| O54 | C55 | C56 | H57 | 118.4° | 120.0° |
| O54 | C55 | C56 | C57 | 175.8° | 177.6° |
| O54 | C55 | O60 | H57 | 119.8° | 120.1° |
| O54 | C55 | O60 | C59 | 175.6° | 178.8° |
| C55 | O54 | C36 | H40 | 19.8° | 13.9° |
| O54 | C55 | C56 | H58 | 56.7° | 57.7° |
| O76 | C56 | C55 | C57 | 120.1° | 119.9° |
| O76 | C56 | C55 | H58 | 120.8° | 120.2° |
| O76 | C56 | C57 | H58 | 120.6° | 120.2° |
| O76 | C56 | C55 | O60 | 174.0° | 177.5° |
| O76 | C56 | C57 | O64 | 59.3° | 63.3° |
| O76 | C56 | C57 | C58 | 178.8° | 176.9° |
| O76 | C56 | C55 | H57 | 54.3° | 57.5° |
| O76 | C56 | C57 | H59 | 61.2° | 57.1° |
| C49 | O50 | C45 | O44 | 176.3° | 178.9° |
| O50 | C49 | C48 | H52 | 120.0° | 120.0° |
| O50 | C49 | C48 | H53 | 119.9° | 120.0° |
| C49 | O50 | C45 | C46 | 63.5° | 61.1° |
| O50 | C49 | C48 | O51 | 179.7° | 177.5° |
| O50 | C49 | C48 | C47 | 58.5° | 57.6° |
| C49 | O50 | C45 | H48 | 55.7° | 58.8° |
| O50 | C49 | C48 | H51 | 60.3° | 62.3° |
| O50 | C49 | H52 | H53 | 120.2° | 120.0° |
| O50 | C45 | O44 | C46 | 120.4° | 120.0° |
| O50 | C45 | O44 | H48 | 120.7° | 120.0° |
| C45 | O50 | C49 | C48 | 65.0° | 61.1° |
| O50 | C45 | C46 | H48 | 120.0° | 120.0° |
| O50 | C45 | C46 | C47 | 55.6° | 57.6° |
| O50 | C45 | C46 | O53 | 176.3° | 177.5° |
| O50 | C45 | C46 | H49 | 63.5° | 62.3° |
| C45 | O50 | C49 | H52 | 175.0° | 58.8° |
| C45 | O50 | C49 | H53 | 54.9° | 178.8° |
| C55 | C56 | C57 | H58 | 119.1° | 119.9° |
| C56 | C55 | O60 | H57 | 119.0° | 119.9° |
| C56 | C55 | O60 | C59 | 54.4° | 61.2° |
| C55 | C56 | C57 | O64 | 179.6° | 176.8° |
| C55 | C56 | C57 | C58 | 58.5° | 57.0° |
| C55 | C56 | C57 | H59 | 59.1° | 62.9° |
| C55 | C56 | O76 | H77 | 180.0° | 60.0° |
| C57 | C56 | C55 | O60 | 54.0° | 57.6° |
| C56 | C57 | C58 | O63 | 59.9° | 62.9° |
| C56 | C57 | O64 | C58 | 120.2° | 119.5° |
| C56 | C57 | O64 | H59 | 119.7° | 120.3° |
| C56 | C57 | O64 | C65 | 138.2° | 90.0° |
| C56 | C57 | C58 | H59 | 117.5° | 119.9° |
| C56 | C57 | C58 | C59 | 61.4° | 57.0° |
| C57 | C56 | C55 | H57 | 65.8° | 62.4° |
| C56 | C57 | C58 | H60 | 179.7° | 176.9° |
| C57 | C56 | O76 | H77 | 59.9° | 179.7° |
| O44 | C45 | C46 | H48 | 119.8° | 120.0° |
| O44 | C45 | C46 | C47 | 175.8° | 177.6° |
| O44 | C45 | C46 | O53 | 63.4° | 62.5° |
| C45 | O44 | C37 | H41 | 2.6° | 29.8° |
| O44 | C45 | C46 | H49 | 56.8° | 57.7° |
| C55 | O60 | C59 | C58 | 57.1° | 61.2° |
| C55 | O60 | C59 | C61 | 179.7° | 178.8° |
| O60 | C55 | C56 | H58 | 65.2° | 62.3° |
| C55 | O60 | C59 | H61 | 61.7° | 58.8° |
| C49 | C48 | O51 | C47 | 121.2° | 119.8° |
| C49 | C48 | O51 | H51 | 119.3° | 120.2° |
| C49 | C48 | C47 | H51 | 118.7° | 119.9° |
| C49 | C48 | C47 | C46 | 52.5° | 56.9° |
| C49 | C48 | C47 | O52 | 174.0° | 176.8° |
| C49 | C48 | C47 | H50 | 66.0° | 63.0° |
| C48 | C49 | H52 | H53 | 120.2° | 120.1° |
| C49 | C48 | O51 | H54 | 180.0° | 60.2° |
| C45 | C46 | C47 | C48 | 51.1° | 56.9° |
| C45 | C46 | C47 | O53 | 121.2° | 119.9° |
| C45 | C46 | C47 | H49 | 119.0° | 119.9° |
| C45 | C46 | O53 | H49 | 119.4° | 120.1° |
| C45 | C46 | C47 | O52 | 173.0° | 176.8° |
| C45 | C46 | C47 | H50 | 67.4° | 63.0° |
| C45 | C46 | O53 | H56 | 180.0° | 60.0° |
| O60 | C59 | C58 | O63 | 60.7° | 62.3° |
| O60 | C59 | C58 | C57 | 59.6° | 57.7° |
| O60 | C59 | C61 | O62 | 51.9° | 63.6° |
| O60 | C59 | C58 | C61 | 121.2° | 119.9° |
| O60 | C59 | C58 | H61 | 119.6° | 120.0° |
| O60 | C59 | C61 | H61 | 119.4° | 120.1° |
| C59 | O60 | C55 | H57 | 64.6° | 58.8° |
| O60 | C59 | C58 | H60 | 178.0° | 177.5° |
| O60 | C59 | C61 | H62 | 172.0° | 176.4° |
| O60 | C59 | C61 | H63 | 68.2° | 56.4° |
| O63 | C58 | C57 | O64 | 61.8° | 56.9° |
| O63 | C58 | C57 | C59 | 121.3° | 119.9° |
| O63 | C58 | C57 | H60 | 120.4° | 120.2° |
| O63 | C58 | C59 | H60 | 121.3° | 120.2° |
| O63 | C58 | C59 | C61 | 60.5° | 57.7° |
| O63 | C58 | C57 | H59 | 177.4° | 177.2° |
| O63 | C58 | C59 | H61 | 179.7° | 177.7° |
| O75 | C66 | C65 | O64 | 61.7° | 62.5° |
| O75 | C66 | C65 | C67 | 121.2° | 119.9° |
| O75 | C66 | C65 | H67 | 119.8° | 120.2° |
| O75 | C66 | C67 | H67 | 119.7° | 120.3° |
| O75 | C66 | C65 | O70 | 177.9° | 177.5° |
| O75 | C66 | C67 | O74 | 63.2° | 63.3° |
| O75 | C66 | C67 | C68 | 175.8° | 176.9° |
| O75 | C66 | C65 | H66 | 57.9° | 57.5° |
| O75 | C66 | C67 | H68 | 57.2° | 57.0° |
| O64 | C57 | C58 | H59 | 120.8° | 120.3° |
| O64 | C57 | C58 | C59 | 176.9° | 176.9° |
| C57 | O64 | C65 | C66 | 179.7° | 175.1° |
| C57 | O64 | C65 | O70 | 59.9° | 65.0° |
| O64 | C57 | C56 | H58 | 61.3° | 56.9° |
| O64 | C57 | C58 | H60 | 58.6° | 63.3° |
| C57 | O64 | C65 | H66 | 61.0° | 55.0° |
| C65 | O64 | C57 | C58 | 101.7° | 150.5° |
| O64 | C65 | C66 | O70 | 120.4° | 120.0° |
| O64 | C65 | C66 | H66 | 119.5° | 120.0° |
| O64 | C65 | C66 | C67 | 177.1° | 177.6° |
| O64 | C65 | O70 | H66 | 120.9° | 120.0° |
| O64 | C65 | O70 | C69 | 179.7° | 178.8° |
| C65 | O64 | C57 | H59 | 18.4° | 30.2° |
| O64 | C65 | C66 | H67 | 58.1° | 57.7° |
| C57 | C58 | C59 | H60 | 118.3° | 119.8° |
| C57 | C58 | C59 | C61 | 179.2° | 177.6° |
| C58 | C57 | C56 | H58 | 60.6° | 62.9° |
| C57 | C58 | C59 | H61 | 60.0° | 62.4° |
| C57 | C58 | O63 | H65 | 180.0° | 174.0° |
| O62 | C61 | C59 | C58 | 69.5° | 176.5° |
| O62 | C61 | C59 | H62 | 120.1° | 120.1° |
| O62 | C61 | C59 | H63 | 120.1° | 120.0° |
| O62 | C61 | C59 | H61 | 171.3° | 56.5° |
| O62 | C61 | H62 | H63 | 119.7° | 120.0° |
| O51 | C48 | C47 | H51 | 120.2° | 120.1° |
| O51 | C48 | C47 | C46 | 173.5° | 176.9° |
| O51 | C48 | C47 | O52 | 65.0° | 63.2° |
| O51 | C48 | C47 | H50 | 55.0° | 57.0° |
| O51 | C48 | C49 | H52 | 60.4° | 57.6° |
| O51 | C48 | C49 | H53 | 59.7° | 62.4° |
| C48 | C47 | C46 | O52 | 122.0° | 119.9° |
| C48 | C47 | C46 | H50 | 118.5° | 119.9° |
| C48 | C47 | C46 | O53 | 172.3° | 176.8° |
| C48 | C47 | O52 | H50 | 119.2° | 120.3° |
| C48 | C47 | C46 | H49 | 67.9° | 63.0° |
| C47 | C48 | C49 | H52 | 178.4° | 62.4° |
| C47 | C48 | C49 | H53 | 61.5° | 177.6° |
| C47 | C48 | O51 | H54 | 58.9° | 180.0° |
| C48 | C47 | O52 | H55 | 180.0° | 60.4° |
| C58 | C59 | C61 | H61 | 119.2° | 120.0° |
| C59 | C58 | C57 | H59 | 56.1° | 62.8° |
| C58 | C59 | C61 | H62 | 50.6° | 56.5° |
| C58 | C59 | C61 | H63 | 170.3° | 63.5° |
| C59 | C58 | O63 | H65 | 60.3° | 66.3° |
| C61 | C59 | C58 | H60 | 60.8° | 62.5° |
| C59 | C61 | H62 | H63 | 119.6° | 119.9° |
| C59 | C61 | O62 | H64 | 180.0° | 175.7° |
| C47 | C46 | O53 | H49 | 119.0° | 120.2° |
| C46 | C47 | O52 | H50 | 118.8° | 120.1° |
| C47 | C46 | C45 | H48 | 64.4° | 62.4° |
| C46 | C47 | C48 | H51 | 66.2° | 63.0° |
| C46 | C47 | O52 | H55 | 58.1° | 180.0° |
| C47 | C46 | O53 | H56 | 58.4° | 179.8° |
| O53 | C46 | C47 | O52 | 65.7° | 63.2° |
| O53 | C46 | C45 | H48 | 56.3° | 57.5° |
| O53 | C46 | C47 | H50 | 53.8° | 56.9° |
| C65 | C66 | C67 | H67 | 118.9° | 119.9° |
| C66 | C65 | O70 | H66 | 119.3° | 120.0° |
| C65 | C66 | C67 | O74 | 175.5° | 176.9° |
| C65 | C66 | C67 | C68 | 54.5° | 57.0° |
| C66 | C65 | O70 | C69 | 60.5° | 61.2° |
| C65 | C66 | C67 | H68 | 64.1° | 62.9° |
| C65 | C66 | O75 | H76 | 180.0° | 60.0° |
| C67 | C66 | C65 | O70 | 56.7° | 57.6° |
| C66 | C67 | O74 | C68 | 120.3° | 119.6° |
| C66 | C67 | O74 | H68 | 119.7° | 120.2° |
| C66 | C67 | C68 | H68 | 118.6° | 119.9° |
| C66 | C67 | C68 | C69 | 54.6° | 57.0° |
| C66 | C67 | C68 | O73 | 176.1° | 176.9° |
| C67 | C66 | C65 | H66 | 63.4° | 62.4° |
| C66 | C67 | C68 | H69 | 63.9° | 62.9° |
| C66 | C67 | O74 | H75 | 180.0° | 60.0° |
| C67 | C66 | O75 | H76 | 58.1° | 179.7° |
| C65 | O70 | C69 | C68 | 61.1° | 61.2° |
| C65 | O70 | C69 | C71 | 177.4° | 178.8° |
| O70 | C65 | C66 | H67 | 62.3° | 62.3° |
| C65 | O70 | C69 | H70 | 58.2° | 58.8° |
| O52 | C47 | C46 | H49 | 54.0° | 57.0° |
| O52 | C47 | C48 | H51 | 55.3° | 56.9° |
| O74 | C67 | C68 | H68 | 120.7° | 120.2° |
| O74 | C67 | C68 | C69 | 175.2° | 176.8° |
| O74 | C67 | C68 | O73 | 63.3° | 63.2° |
| O74 | C67 | C66 | H67 | 56.5° | 57.0° |
| O74 | C67 | C68 | H69 | 56.8° | 57.0° |
| C67 | C68 | C69 | O70 | 57.3° | 57.6° |
| C67 | C68 | C69 | O73 | 121.6° | 119.9° |
| C67 | C68 | C69 | H69 | 118.5° | 119.9° |
| C67 | C68 | O73 | H69 | 119.3° | 120.2° |
| C67 | C68 | C69 | C71 | 178.6° | 177.6° |
| C68 | C67 | C66 | H67 | 64.4° | 62.8° |
| C67 | C68 | C69 | H70 | 62.7° | 62.4° |
| C67 | C68 | O73 | H74 | 180.0° | 59.9° |
| C68 | C67 | O74 | H75 | 59.7° | 179.6° |
| O70 | C69 | C68 | C71 | 121.2° | 120.0° |
| O70 | C69 | C68 | H70 | 120.0° | 120.0° |
| O70 | C69 | C68 | O73 | 178.9° | 177.6° |
| O70 | C69 | C71 | H70 | 120.0° | 120.1° |
| O70 | C69 | C71 | O72 | 166.0° | 65.0° |
| C69 | O70 | C65 | H66 | 58.7° | 58.8° |
| O70 | C69 | C68 | H69 | 61.2° | 62.3° |
| O70 | C69 | C71 | H71 | 46.0° | 174.9° |
| O70 | C69 | C71 | H72 | 74.1° | 54.9° |
| C69 | C68 | O73 | H69 | 119.1° | 120.1° |
| C68 | C69 | C71 | H70 | 118.7° | 120.0° |
| C68 | C69 | C71 | O72 | 44.7° | 175.0° |
| C69 | C68 | C67 | H68 | 64.0° | 62.9° |
| C68 | C69 | C71 | H71 | 75.3° | 54.9° |
| C68 | C69 | C71 | H72 | 164.7° | 65.0° |
| C69 | C68 | O73 | H74 | 58.4° | 179.6° |
| O73 | C68 | C69 | C71 | 59.8° | 62.5° |
| O73 | C68 | C67 | H68 | 57.5° | 57.0° |
| O73 | C68 | C69 | H70 | 58.9° | 57.5° |
| C69 | C71 | O72 | H71 | 120.0° | 120.0° |
| C69 | C71 | O72 | H72 | 120.0° | 120.0° |
| C71 | C69 | C68 | H69 | 60.0° | 57.7° |
| C69 | C71 | H71 | H72 | 120.0° | 120.0° |
| C69 | C71 | O72 | H73 | 180.0° | 180.0° |
| O72 | C71 | C69 | H70 | 74.0° | 55.0° |
| O72 | C71 | H71 | H72 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 119.9° | 120.0° |
| H1 | C01 | C02 | H4 | 60.7° | 60.1° |
| H2 | C01 | C02 | H4 | 179.3° | 59.9° |
| H3 | C01 | C02 | H4 | 59.3° | 179.9° |
| H4 | C02 | C03 | H5 | 171.5° | 177.7° |
| H4 | C02 | C03 | H6 | 52.0° | 57.4° |
| H4 | C02 | C85 | H91 | 58.1° | 58.2° |
| H4 | C02 | C85 | H92 | 178.0° | 178.3° |
| H5 | C03 | C04 | H7 | 50.5° | 56.3° |
| H5 | C03 | C04 | H8 | 170.0° | 176.3° |
| H6 | C03 | C04 | H7 | 69.0° | 64.1° |
| H6 | C03 | C04 | H8 | 50.5° | 56.0° |
| H9 | C06 | C07 | H10 | 138.0° | 119.0° |
| H9 | C06 | C83 | H88 | 57.8° | 178.8° |
| H9 | C06 | C83 | H89 | 62.1° | 58.8° |
| H9 | C06 | C83 | H90 | 177.8° | 61.1° |
| H10 | C07 | C08 | H11 | 9.5° | 22.8° |
| H11 | C08 | C10 | H12 | 18.9° | 1.1° |
| H12 | C10 | C11 | H13 | 47.5° | 32.2° |
| H12 | C10 | O82 | H87 | 58.0° | 60.4° |
| H13 | C11 | C16 | H19 | 172.6° | 173.7° |
| H14 | C13 | C14 | H16 | 61.3° | 56.8° |
| H14 | C13 | C14 | H17 | 58.4° | 62.3° |
| H15 | C13 | C14 | H16 | 178.6° | 177.8° |
| H15 | C13 | C14 | H17 | 61.7° | 58.7° |
| H16 | C14 | C15 | H18 | 171.9° | 175.4° |
| H17 | C14 | C15 | H18 | 68.4° | 56.4° |
| H18 | C15 | C16 | H19 | 171.9° | 179.2° |
| H19 | C16 | C17 | H20 | 171.5° | 179.4° |
| H19 | C16 | C17 | H21 | 51.7° | 59.5° |
| H20 | C17 | C18 | H22 | 58.0° | 60.2° |
| H20 | C17 | C18 | H23 | 177.9° | 179.9° |
| H21 | C17 | C18 | H22 | 61.8° | 59.8° |
| H21 | C17 | C18 | H23 | 58.1° | 60.1° |
| H22 | C18 | C19 | H24 | 65.4° | 59.9° |
| H23 | C18 | C19 | H24 | 174.7° | 179.9° |
| H24 | C19 | C24 | H29 | 51.9° | 60.0° |
| H24 | C19 | C24 | H30 | 170.6° | 179.9° |
| H25 | C21 | C22 | H27 | 57.7° | 60.1° |
| H26 | C21 | C22 | H27 | 177.1° | 180.0° |
| H27 | C22 | C23 | H28 | 166.1° | 180.0° |
| H27 | C22 | O79 | H80 | 61.4° | 54.6° |
| H28 | C23 | C24 | H29 | 43.2° | 60.0° |
| H28 | C23 | C24 | H30 | 161.8° | 180.0° |
| H31 | C26 | C27 | H32 | 170.0° | 177.6° |
| H32 | C27 | C28 | H33 | 179.7° | 177.1° |
| H32 | C27 | O78 | H79 | 59.4° | 60.1° |
| H33 | C28 | C29 | H34 | 50.6° | 57.0° |
| H33 | C28 | O77 | H78 | 60.8° | 60.2° |
| H34 | C29 | C30 | H35 | 50.8° | 57.5° |
| H35 | C30 | C32 | H36 | 58.1° | 65.0° |
| H35 | C30 | C32 | H37 | 177.9° | 175.0° |
| H36 | C32 | O33 | H38 | 59.9° | 60.0° |
| H37 | C32 | O33 | H38 | 59.9° | 60.0° |
| H39 | C35 | C36 | H40 | 173.0° | 177.7° |
| H40 | C36 | C37 | H41 | 173.8° | 177.2° |
| H41 | C37 | C38 | H42 | 178.4° | 177.1° |
| H42 | C38 | C39 | H43 | 177.1° | 177.7° |
| H42 | C38 | O43 | H47 | 60.3° | 60.0° |
| H43 | C39 | C41 | H44 | 92.2° | 65.0° |
| H43 | C39 | C41 | H45 | 27.6° | 175.0° |
| H44 | C41 | O42 | H46 | 59.9° | 60.0° |
| H45 | C41 | O42 | H46 | 59.9° | 60.0° |
| H48 | C45 | C46 | H49 | 176.5° | 177.7° |
| H49 | C46 | C47 | H50 | 173.5° | 177.1° |
| H49 | C46 | O53 | H56 | 60.6° | 60.1° |
| H50 | C47 | C48 | H51 | 175.2° | 177.1° |
| H50 | C47 | O52 | H55 | 60.7° | 59.8° |
| H51 | C48 | C49 | H52 | 59.7° | 177.7° |
| H51 | C48 | C49 | H53 | 179.8° | 57.7° |
| H51 | C48 | O51 | H54 | 60.6° | 59.9° |
| H57 | C55 | C56 | H58 | 175.1° | 177.7° |
| H58 | C56 | C57 | H59 | 178.2° | 177.3° |
| H58 | C56 | O76 | H77 | 60.0° | 60.2° |
| H59 | C57 | C58 | H60 | 62.2° | 57.0° |
| H60 | C58 | C59 | H61 | 58.4° | 57.5° |
| H60 | C58 | O63 | H65 | 60.3° | 53.9° |
| H61 | C59 | C61 | H62 | 68.6° | 63.6° |
| H61 | C59 | C61 | H63 | 51.1° | 176.5° |
| H62 | C61 | O62 | H64 | 59.9° | 64.3° |
| H63 | C61 | O62 | H64 | 59.9° | 55.7° |
| H66 | C65 | C66 | H67 | 177.7° | 177.7° |
| H67 | C66 | C67 | H68 | 177.0° | 177.2° |
| H67 | C66 | O75 | H76 | 61.0° | 60.1° |
| H68 | C67 | C68 | H69 | 177.5° | 177.2° |
| H68 | C67 | O74 | H75 | 60.3° | 60.2° |
| H69 | C68 | C69 | H70 | 178.7° | 177.7° |
| H69 | C68 | O73 | H74 | 60.7° | 60.3° |
| H70 | C69 | C71 | H71 | 166.0° | 65.0° |
| H70 | C69 | C71 | H72 | 46.0° | 175.0° |
| H71 | C71 | O72 | H73 | 60.0° | 60.0° |
| H72 | C71 | O72 | H73 | 60.0° | 60.0° |
| H81 | C80 | H82 | H83 | 120.0° | 120.0° |
| H84 | C81 | H85 | H86 | 120.0° | 120.0° |
| H88 | C83 | H89 | H90 | 120.0° | 120.1° |
