A1CB6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C81 | C80 | sing | 1.53Å | 1.52Å | |
| C80 | C79 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.53Å | 1.51Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C79 | C78 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C78 | C77 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C77 | C76 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C76 | C75 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C74 | C75 | sing | 1.53Å | 1.52Å | |
| C74 | C73 | sing | 1.53Å | 1.54Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| C73 | C72 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C72 | C71 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C71 | C70 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C70 | C69 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C69 | C68 | sing | 1.51Å | 1.55Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C68 | C67 | doub | 1.31Å | 1.35Å | |
| C17 | C18 | sing | 1.51Å | 1.56Å | |
| O52 | C51 | sing | 1.43Å | 1.40Å | |
| C67 | C66 | sing | 1.51Å | 1.55Å | |
| C18 | N20 | sing | 1.35Å | 1.51Å | |
| C18 | O19 | doub | 1.21Å | 1.18Å | |
| N20 | C21 | sing | 1.47Å | 1.50Å | |
| C51 | C50 | sing | 1.53Å | 1.54Å | |
| C66 | O82 | sing | 1.43Å | 1.39Å | |
| C66 | C21 | sing | 1.53Å | 1.56Å | |
| C50 | O53 | sing | 1.43Å | 1.40Å | |
| C50 | C49 | sing | 1.53Å | 1.54Å | |
| O57 | C56 | doub | 1.21Å | 1.18Å | |
| C21 | C22 | sing | 1.53Å | 1.62Å | |
| C49 | O54 | sing | 1.43Å | 1.39Å | |
| C49 | C47 | sing | 1.53Å | 1.53Å | |
| C56 | N55 | sing | 1.35Å | 1.46Å | |
| C56 | C58 | sing | 1.51Å | 1.53Å | |
| C22 | O23 | sing | 1.43Å | 1.48Å | |
| O31 | C30 | sing | 1.43Å | 1.41Å | |
| N55 | C46 | sing | 1.47Å | 1.47Å | |
| O23 | C24 | sing | 1.43Å | 1.45Å | |
| O29 | C24 | sing | 1.43Å | 1.47Å | |
| O29 | C28 | sing | 1.43Å | 1.48Å | |
| C47 | C46 | sing | 1.53Å | 1.52Å | |
| C47 | O48 | sing | 1.43Å | 1.47Å | |
| C30 | C28 | sing | 1.53Å | 1.53Å | |
| C46 | C45 | sing | 1.53Å | 1.46Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| O48 | C43 | sing | 1.43Å | 1.45Å | |
| O40 | C39 | sing | 1.43Å | 1.40Å | |
| C25 | C26 | sing | 1.53Å | 1.49Å | |
| C25 | O65 | sing | 1.43Å | 1.41Å | |
| C45 | O59 | sing | 1.43Å | 1.39Å | |
| C45 | C44 | sing | 1.53Å | 1.47Å | |
| C27 | C26 | sing | 1.53Å | 1.47Å | |
| C27 | O32 | sing | 1.43Å | 1.46Å | |
| O63 | C34 | sing | 1.43Å | 1.40Å | |
| C37 | C39 | sing | 1.53Å | 1.53Å | |
| C37 | O38 | sing | 1.43Å | 1.46Å | |
| C37 | C36 | sing | 1.53Å | 1.49Å | |
| C33 | O32 | sing | 1.43Å | 1.45Å | |
| C33 | O38 | sing | 1.43Å | 1.47Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| O61 | C60 | doub | 1.21Å | 1.26Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C43 | C60 | sing | 1.51Å | 1.48Å | |
| C43 | O42 | sing | 1.43Å | 1.44Å | |
| C26 | O64 | sing | 1.43Å | 1.39Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.47Å | |
| C35 | O42 | sing | 1.43Å | 1.46Å | |
| C36 | O41 | sing | 1.43Å | 1.40Å | |
| C60 | O62 | sing | 1.34Å | 1.25Å | |
| 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 | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C17 | H34 | sing | 1.09Å | 1.10Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| C33 | H46 | sing | 1.09Å | 1.10Å | |
| C34 | H47 | sing | 1.09Å | 1.10Å | |
| C35 | H48 | sing | 1.09Å | 1.10Å | |
| C36 | H49 | sing | 1.09Å | 1.10Å | |
| C37 | H50 | sing | 1.09Å | 1.10Å | |
| C39 | H51 | sing | 1.09Å | 1.10Å | |
| C39 | H52 | sing | 1.09Å | 1.10Å | |
| C44 | H53 | sing | 1.09Å | 1.10Å | |
| C44 | H54 | sing | 1.09Å | 1.10Å | |
| C45 | H55 | sing | 1.09Å | 1.10Å | |
| C46 | H56 | sing | 1.09Å | 1.10Å | |
| C47 | H57 | sing | 1.09Å | 1.10Å | |
| C49 | H58 | sing | 1.09Å | 1.10Å | |
| C50 | H59 | sing | 1.09Å | 1.10Å | |
| C51 | H60 | sing | 1.09Å | 1.10Å | |
| C51 | H61 | sing | 1.09Å | 1.10Å | |
| C58 | H62 | sing | 1.09Å | 1.10Å | |
| C58 | H63 | sing | 1.09Å | 1.10Å | |
| C58 | H64 | sing | 1.09Å | 1.10Å | |
| C66 | H65 | sing | 1.09Å | 1.10Å | |
| C67 | H66 | sing | 1.08Å | 1.08Å | |
| C68 | H67 | sing | 1.08Å | 1.08Å | |
| C69 | H68 | sing | 1.09Å | 1.10Å | |
| C69 | H69 | sing | 1.09Å | 1.10Å | |
| C70 | H70 | sing | 1.09Å | 1.10Å | |
| C70 | H71 | sing | 1.09Å | 1.10Å | |
| C71 | H72 | sing | 1.09Å | 1.10Å | |
| C71 | H73 | sing | 1.09Å | 1.10Å | |
| C72 | H74 | sing | 1.09Å | 1.10Å | |
| C72 | H75 | sing | 1.09Å | 1.10Å | |
| C73 | H76 | sing | 1.09Å | 1.10Å | |
| C73 | H77 | sing | 1.09Å | 1.10Å | |
| C74 | H78 | sing | 1.09Å | 1.10Å | |
| C74 | H79 | sing | 1.09Å | 1.10Å | |
| C75 | H80 | sing | 1.09Å | 1.10Å | |
| C75 | H81 | sing | 1.09Å | 1.10Å | |
| C76 | H82 | sing | 1.09Å | 1.10Å | |
| C76 | H83 | sing | 1.09Å | 1.10Å | |
| C77 | H84 | sing | 1.09Å | 1.10Å | |
| C77 | H85 | sing | 1.09Å | 1.10Å | |
| C78 | H86 | sing | 1.09Å | 1.10Å | |
| C78 | H87 | sing | 1.09Å | 1.10Å | |
| C79 | H88 | sing | 1.09Å | 1.10Å | |
| C79 | H89 | sing | 1.09Å | 1.10Å | |
| C80 | H90 | sing | 1.09Å | 1.10Å | |
| C80 | H91 | sing | 1.09Å | 1.10Å | |
| C81 | H92 | sing | 1.09Å | 1.10Å | |
| C81 | H93 | sing | 1.09Å | 1.10Å | |
| C81 | H94 | sing | 1.09Å | 1.10Å | |
| N20 | H95 | sing | 0.97Å | 1.00Å | |
| N55 | H96 | sing | 0.97Å | 1.00Å | |
| O31 | H97 | sing | 0.97Å | 0.95Å | |
| O40 | H98 | sing | 0.97Å | 0.95Å | |
| O41 | H99 | sing | 0.97Å | 0.95Å | |
| O52 | H100 | sing | 0.97Å | 0.95Å | |
| O53 | H101 | sing | 0.97Å | 0.95Å | |
| O54 | H102 | sing | 0.97Å | 0.95Å | |
| O59 | H103 | sing | 0.97Å | 0.95Å | |
| O62 | H104 | sing | 0.97Å | 0.95Å | |
| O63 | H105 | sing | 0.97Å | 0.95Å | |
| O64 | H106 | sing | 0.97Å | 0.95Å | |
| O65 | H107 | sing | 0.97Å | 0.95Å | |
| O82 | H108 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C81 | C80 | C79 | 111.5° | 109.5° |
| C81 | C80 | H90 | 109.0° | 109.5° |
| C81 | C80 | H91 | 109.0° | 109.5° |
| C80 | C81 | H92 | 109.5° | 109.5° |
| C80 | C81 | H93 | 109.5° | 109.5° |
| C80 | C81 | H94 | 109.5° | 109.5° |
| C80 | C79 | C78 | 111.5° | 109.5° |
| C80 | C79 | H88 | 109.0° | 109.5° |
| C80 | C79 | H89 | 109.0° | 109.4° |
| C79 | C80 | H90 | 109.0° | 109.5° |
| C79 | C80 | H91 | 109.0° | 109.4° |
| C01 | C02 | C03 | 111.5° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 109.0° | 109.5° |
| C01 | C02 | H5 | 109.0° | 109.6° |
| C02 | C03 | C04 | 111.9° | 109.5° |
| C03 | C02 | H4 | 109.0° | 109.4° |
| C03 | C02 | H5 | 109.0° | 109.4° |
| C02 | C03 | H6 | 108.8° | 109.4° |
| C02 | C03 | H7 | 108.8° | 109.5° |
| C79 | C78 | C77 | 112.0° | 109.4° |
| C79 | C78 | H86 | 108.8° | 109.5° |
| C79 | C78 | H87 | 108.9° | 109.4° |
| C78 | C79 | H88 | 109.0° | 109.5° |
| C78 | C79 | H89 | 108.9° | 109.5° |
| C03 | C04 | C05 | 111.6° | 109.5° |
| C04 | C03 | H6 | 108.9° | 109.5° |
| C04 | C03 | H7 | 108.9° | 109.5° |
| C03 | C04 | H8 | 108.9° | 109.5° |
| C03 | C04 | H9 | 108.9° | 109.5° |
| C78 | C77 | C76 | 110.7° | 109.5° |
| C78 | C77 | H84 | 109.2° | 109.5° |
| C78 | C77 | H85 | 109.1° | 109.5° |
| C77 | C78 | H86 | 108.9° | 109.5° |
| C77 | C78 | H87 | 108.8° | 109.5° |
| C04 | C05 | C06 | 111.1° | 109.5° |
| C05 | C04 | H8 | 109.0° | 109.5° |
| C05 | C04 | H9 | 109.0° | 109.5° |
| C04 | C05 | H10 | 109.1° | 109.4° |
| C04 | C05 | H11 | 109.1° | 109.4° |
| C77 | C76 | C75 | 112.6° | 109.5° |
| C77 | C76 | H82 | 108.7° | 109.4° |
| C77 | C76 | H83 | 108.7° | 109.4° |
| C76 | C77 | H84 | 109.2° | 109.4° |
| C76 | C77 | H85 | 109.2° | 109.4° |
| C05 | C06 | C07 | 111.9° | 109.4° |
| C06 | C05 | H10 | 109.0° | 109.5° |
| C06 | C05 | H11 | 109.0° | 109.5° |
| C05 | C06 | H12 | 108.8° | 109.5° |
| C05 | C06 | H13 | 108.9° | 109.4° |
| C76 | C75 | C74 | 111.2° | 109.5° |
| C76 | C75 | H80 | 109.0° | 109.5° |
| C76 | C75 | H81 | 109.0° | 109.5° |
| C75 | C76 | H82 | 108.7° | 109.5° |
| C75 | C76 | H83 | 108.7° | 109.5° |
| C06 | C07 | C08 | 111.7° | 109.5° |
| C07 | C06 | H12 | 108.8° | 109.5° |
| C07 | C06 | H13 | 108.9° | 109.5° |
| C06 | C07 | H14 | 108.9° | 109.5° |
| C06 | C07 | H15 | 108.9° | 109.5° |
| C07 | C08 | C09 | 110.8° | 109.5° |
| C08 | C07 | H14 | 108.9° | 109.4° |
| C08 | C07 | H15 | 108.9° | 109.5° |
| C07 | C08 | H16 | 109.1° | 109.4° |
| C07 | C08 | H17 | 109.1° | 109.5° |
| C75 | C74 | C73 | 111.2° | 109.5° |
| C75 | C74 | H78 | 109.1° | 109.4° |
| C75 | C74 | H79 | 109.0° | 109.4° |
| C74 | C75 | H80 | 109.0° | 109.5° |
| C74 | C75 | H81 | 109.0° | 109.4° |
| C74 | C73 | C72 | 112.2° | 109.4° |
| C74 | C73 | H76 | 108.8° | 109.5° |
| C74 | C73 | H77 | 108.8° | 109.5° |
| C73 | C74 | H78 | 109.0° | 109.5° |
| C73 | C74 | H79 | 109.0° | 109.5° |
| C08 | C09 | C10 | 111.4° | 109.5° |
| C09 | C08 | H16 | 109.1° | 109.5° |
| C09 | C08 | H17 | 109.1° | 109.5° |
| C08 | C09 | H18 | 109.0° | 109.5° |
| C08 | C09 | H19 | 109.0° | 109.5° |
| C73 | C72 | C71 | 110.4° | 109.5° |
| C73 | C72 | H74 | 109.2° | 109.5° |
| C73 | C72 | H75 | 109.2° | 109.5° |
| C72 | C73 | H76 | 108.8° | 109.5° |
| C72 | C73 | H77 | 108.8° | 109.5° |
| C09 | C10 | C11 | 111.4° | 109.5° |
| C10 | C09 | H18 | 108.9° | 109.4° |
| C10 | C09 | H19 | 109.0° | 109.5° |
| C09 | C10 | H20 | 109.0° | 109.4° |
| C09 | C10 | H21 | 109.0° | 109.5° |
| C10 | C11 | C12 | 111.2° | 109.4° |
| C11 | C10 | H20 | 109.0° | 109.5° |
| C11 | C10 | H21 | 109.0° | 109.5° |
| C10 | C11 | H22 | 109.0° | 109.5° |
| C10 | C11 | H23 | 109.0° | 109.5° |
| C72 | C71 | C70 | 113.7° | 109.5° |
| C72 | C71 | H72 | 108.4° | 109.5° |
| C72 | C71 | H73 | 108.4° | 109.4° |
| C71 | C72 | H74 | 109.2° | 109.5° |
| C71 | C72 | H75 | 109.2° | 109.4° |
| C11 | C12 | C13 | 111.4° | 109.5° |
| C12 | C11 | H22 | 109.0° | 109.5° |
| C12 | C11 | H23 | 109.0° | 109.5° |
| C11 | C12 | H24 | 109.0° | 109.5° |
| C11 | C12 | H25 | 109.0° | 109.5° |
| C71 | C70 | C69 | 114.0° | 109.4° |
| C71 | C70 | H70 | 108.3° | 109.5° |
| C71 | C70 | H71 | 108.3° | 109.5° |
| C70 | C71 | H72 | 108.4° | 109.5° |
| C70 | C71 | H73 | 108.4° | 109.5° |
| C12 | C13 | C14 | 112.0° | 109.5° |
| C13 | C12 | H24 | 109.0° | 109.5° |
| C13 | C12 | H25 | 109.0° | 109.5° |
| C12 | C13 | H26 | 108.8° | 109.5° |
| C12 | C13 | H27 | 108.8° | 109.4° |
| C15 | C14 | C13 | 111.2° | 109.5° |
| C14 | C15 | C16 | 111.7° | 109.5° |
| C15 | C14 | H28 | 109.0° | 109.5° |
| C15 | C14 | H29 | 109.0° | 109.5° |
| C14 | C15 | H30 | 108.9° | 109.5° |
| C14 | C15 | H31 | 108.9° | 109.5° |
| C14 | C13 | H26 | 108.8° | 109.5° |
| C14 | C13 | H27 | 108.8° | 109.5° |
| C13 | C14 | H28 | 109.0° | 109.5° |
| C13 | C14 | H29 | 109.0° | 109.5° |
| C70 | C69 | C68 | 109.5° | 109.4° |
| C70 | C69 | H68 | 109.5° | 109.5° |
| C70 | C69 | H69 | 109.5° | 109.5° |
| C69 | C70 | H70 | 108.3° | 109.5° |
| C69 | C70 | H71 | 108.3° | 109.5° |
| C15 | C16 | C17 | 110.6° | 109.5° |
| C16 | C15 | H30 | 108.9° | 109.5° |
| C16 | C15 | H31 | 108.9° | 109.5° |
| C15 | C16 | H32 | 109.2° | 109.5° |
| C15 | C16 | H33 | 109.2° | 109.4° |
| C69 | C68 | C67 | 118.6° | 120.0° |
| C69 | C68 | H67 | 120.7° | 120.0° |
| C68 | C69 | H68 | 109.5° | 109.4° |
| C68 | C69 | H69 | 109.5° | 109.5° |
| C16 | C17 | C18 | 113.4° | 109.5° |
| C17 | C16 | H32 | 109.2° | 109.5° |
| C17 | C16 | H33 | 109.2° | 109.5° |
| C16 | C17 | H34 | 108.5° | 109.5° |
| C16 | C17 | H35 | 108.5° | 109.5° |
| C68 | C67 | C66 | 121.5° | 120.0° |
| C68 | C67 | H66 | 119.2° | 120.0° |
| C67 | C68 | H67 | 120.7° | 120.0° |
| C17 | C18 | N20 | 118.4° | 120.0° |
| C17 | C18 | O19 | 117.4° | 120.0° |
| C18 | C17 | H34 | 108.5° | 109.5° |
| C18 | C17 | H35 | 108.5° | 109.5° |
| O52 | C51 | C50 | 107.9° | 109.5° |
| O52 | C51 | H60 | 109.9° | 109.5° |
| O52 | C51 | H61 | 109.9° | 109.5° |
| C51 | O52 | H100 | 109.5° | 114.1° |
| C67 | C66 | O82 | 107.8° | 109.4° |
| C67 | C66 | C21 | 111.6° | 109.5° |
| C67 | C66 | H65 | 109.3° | 109.5° |
| C66 | C67 | H66 | 119.2° | 120.0° |
| N20 | C18 | O19 | 124.2° | 120.0° |
| C18 | N20 | C21 | 130.4° | 120.0° |
| C18 | N20 | H95 | 114.8° | 120.0° |
| N20 | C21 | C66 | 100.1° | 109.5° |
| N20 | C21 | C22 | 110.2° | 109.5° |
| N20 | C21 | H36 | 112.2° | 109.4° |
| C21 | N20 | H95 | 114.8° | 120.0° |
| C51 | C50 | O53 | 107.5° | 109.5° |
| C51 | C50 | C49 | 112.3° | 109.5° |
| C51 | C50 | H59 | 109.1° | 109.5° |
| C50 | C51 | H60 | 109.9° | 109.5° |
| C50 | C51 | H61 | 109.9° | 109.5° |
| O82 | C66 | C21 | 107.5° | 109.4° |
| O82 | C66 | H65 | 111.5° | 109.5° |
| C66 | O82 | H108 | 109.5° | 114.0° |
| C66 | C21 | C22 | 112.2° | 109.5° |
| C66 | C21 | H36 | 111.3° | 109.5° |
| C21 | C66 | H65 | 109.1° | 109.5° |
| O53 | C50 | C49 | 107.7° | 109.5° |
| O53 | C50 | H59 | 111.1° | 109.4° |
| C50 | O53 | H101 | 109.5° | 114.0° |
| C50 | C49 | O54 | 108.3° | 109.5° |
| C50 | C49 | C47 | 112.0° | 109.4° |
| C50 | C49 | H58 | 108.8° | 109.5° |
| C49 | C50 | H59 | 109.0° | 109.5° |
| O57 | C56 | N55 | 120.1° | 120.0° |
| O57 | C56 | C58 | 120.0° | 120.0° |
| C21 | C22 | O23 | 121.9° | 109.5° |
| C22 | C21 | H36 | 110.5° | 109.5° |
| C21 | C22 | H37 | 106.3° | 109.5° |
| C21 | C22 | H38 | 106.3° | 109.5° |
| O54 | C49 | C47 | 108.0° | 109.5° |
| O54 | C49 | H58 | 110.9° | 109.5° |
| C49 | O54 | H102 | 109.5° | 114.0° |
| C49 | C47 | C46 | 107.3° | 109.5° |
| C49 | C47 | O48 | 108.5° | 109.5° |
| C49 | C47 | H57 | 109.7° | 109.5° |
| C47 | C49 | H58 | 108.9° | 109.4° |
| N55 | C56 | C58 | 119.9° | 120.0° |
| C56 | N55 | C46 | 118.9° | 120.0° |
| C56 | N55 | H96 | 120.5° | 120.0° |
| C56 | C58 | H62 | 109.5° | 109.5° |
| C56 | C58 | H63 | 109.5° | 109.5° |
| C56 | C58 | H64 | 109.5° | 109.4° |
| C22 | O23 | C24 | 122.6° | 114.0° |
| O23 | C22 | H37 | 106.3° | 109.4° |
| O23 | C22 | H38 | 106.3° | 109.5° |
| O31 | C30 | C28 | 107.9° | 109.5° |
| O31 | C30 | H44 | 109.9° | 109.5° |
| O31 | C30 | H45 | 109.8° | 109.5° |
| C30 | O31 | H97 | 109.5° | 114.0° |
| N55 | C46 | C47 | 109.1° | 109.6° |
| N55 | C46 | C45 | 109.9° | 109.6° |
| N55 | C46 | H56 | 108.7° | 109.5° |
| C46 | N55 | H96 | 120.5° | 120.0° |
| O23 | C24 | O29 | 108.4° | 109.4° |
| O23 | C24 | C25 | 113.9° | 109.5° |
| O23 | C24 | H39 | 108.2° | 109.5° |
| C24 | O29 | C28 | 110.2° | 114.0° |
| O29 | C24 | C25 | 111.1° | 109.4° |
| O29 | C24 | H39 | 107.9° | 109.5° |
| O29 | C28 | C30 | 107.2° | 109.5° |
| O29 | C28 | C27 | 112.0° | 109.4° |
| O29 | C28 | H43 | 109.1° | 109.5° |
| C46 | C47 | O48 | 110.9° | 109.4° |
| C47 | C46 | C45 | 112.2° | 109.2° |
| C47 | C46 | H56 | 108.1° | 109.5° |
| C46 | C47 | H57 | 109.8° | 109.5° |
| C47 | O48 | C43 | 113.2° | 114.1° |
| O48 | C47 | H57 | 110.6° | 109.5° |
| C30 | C28 | C27 | 111.9° | 109.5° |
| C30 | C28 | H43 | 108.4° | 109.5° |
| C28 | C30 | H44 | 109.8° | 109.5° |
| C28 | C30 | H45 | 109.9° | 109.4° |
| C46 | C45 | O59 | 107.8° | 109.5° |
| C46 | C45 | C44 | 112.8° | 109.0° |
| C46 | C45 | H55 | 108.9° | 109.6° |
| C45 | C46 | H56 | 108.8° | 109.5° |
| C24 | C25 | C26 | 114.5° | 109.1° |
| C24 | C25 | O65 | 109.6° | 109.5° |
| C25 | C24 | H39 | 107.2° | 109.5° |
| C24 | C25 | H40 | 107.2° | 109.6° |
| C28 | C27 | C26 | 110.2° | 109.1° |
| C28 | C27 | O32 | 110.0° | 109.6° |
| C28 | C27 | H42 | 109.7° | 109.6° |
| C27 | C28 | H43 | 108.2° | 109.5° |
| O48 | C43 | C44 | 112.7° | 109.4° |
| O48 | C43 | C60 | 107.8° | 109.5° |
| O48 | C43 | O42 | 111.2° | 109.5° |
| O40 | C39 | C37 | 107.8° | 109.5° |
| O40 | C39 | H51 | 109.9° | 109.5° |
| O40 | C39 | H52 | 109.9° | 109.5° |
| C39 | O40 | H98 | 109.5° | 114.0° |
| C26 | C25 | O65 | 108.9° | 109.5° |
| C25 | C26 | C27 | 114.0° | 109.0° |
| C25 | C26 | O64 | 108.5° | 109.5° |
| C26 | C25 | H40 | 107.7° | 109.5° |
| C25 | C26 | H41 | 108.1° | 109.6° |
| O65 | C25 | H40 | 108.7° | 109.5° |
| C25 | O65 | H107 | 109.5° | 114.0° |
| O59 | C45 | C44 | 108.4° | 109.6° |
| O59 | C45 | H55 | 110.0° | 109.5° |
| C45 | O59 | H103 | 109.5° | 114.0° |
| C45 | C44 | C43 | 113.9° | 109.2° |
| C45 | C44 | H53 | 108.4° | 109.5° |
| C45 | C44 | H54 | 108.3° | 109.5° |
| C44 | C45 | H55 | 108.8° | 109.6° |
| C26 | C27 | O32 | 105.6° | 109.5° |
| C27 | C26 | O64 | 108.7° | 109.5° |
| C27 | C26 | H41 | 108.2° | 109.6° |
| C26 | C27 | H42 | 110.6° | 109.5° |
| C27 | O32 | C33 | 110.3° | 114.0° |
| O32 | C27 | H42 | 110.8° | 109.5° |
| O63 | C34 | C33 | 108.1° | 109.5° |
| O63 | C34 | C35 | 108.5° | 109.5° |
| O63 | C34 | H47 | 111.0° | 109.5° |
| C34 | O63 | H105 | 109.5° | 114.0° |
| C39 | C37 | O38 | 110.2° | 109.5° |
| C39 | C37 | C36 | 109.6° | 109.5° |
| C39 | C37 | H50 | 108.7° | 109.5° |
| C37 | C39 | H51 | 109.9° | 109.4° |
| C37 | C39 | H52 | 109.9° | 109.4° |
| O38 | C37 | C36 | 109.6° | 109.4° |
| C37 | O38 | C33 | 110.1° | 114.1° |
| O38 | C37 | H50 | 109.6° | 109.4° |
| C37 | C36 | C35 | 112.5° | 109.1° |
| C37 | C36 | O41 | 109.4° | 109.5° |
| C37 | C36 | H49 | 108.0° | 109.5° |
| C36 | C37 | H50 | 109.2° | 109.5° |
| O32 | C33 | O38 | 113.1° | 109.5° |
| O32 | C33 | C34 | 110.4° | 109.5° |
| O32 | C33 | H46 | 107.8° | 109.5° |
| O38 | C33 | C34 | 110.8° | 109.4° |
| O38 | C33 | H46 | 107.7° | 109.5° |
| C33 | C34 | C35 | 111.3° | 109.2° |
| C34 | C33 | H46 | 106.8° | 109.5° |
| C33 | C34 | H47 | 108.9° | 109.5° |
| O61 | C60 | C43 | 119.8° | 120.0° |
| O61 | C60 | O62 | 120.0° | 120.0° |
| C44 | C43 | C60 | 107.0° | 109.5° |
| C44 | C43 | O42 | 110.0° | 109.4° |
| C43 | C44 | H53 | 108.3° | 109.6° |
| C43 | C44 | H54 | 108.4° | 109.5° |
| C60 | C43 | O42 | 107.9° | 109.5° |
| C43 | C60 | O62 | 120.2° | 120.0° |
| C43 | O42 | C35 | 112.6° | 114.1° |
| O64 | C26 | H41 | 109.3° | 109.5° |
| C26 | O64 | H106 | 109.5° | 114.0° |
| C34 | C35 | C36 | 111.0° | 109.0° |
| C34 | C35 | O42 | 108.7° | 109.6° |
| C35 | C34 | H47 | 109.1° | 109.5° |
| C34 | C35 | H48 | 107.9° | 109.6° |
| C36 | C35 | O42 | 111.8° | 109.5° |
| C35 | C36 | O41 | 109.2° | 109.5° |
| C36 | C35 | H48 | 108.6° | 109.5° |
| C35 | C36 | H49 | 108.3° | 109.5° |
| O42 | C35 | H48 | 108.7° | 109.6° |
| O41 | C36 | H49 | 109.3° | 109.6° |
| C36 | O41 | H99 | 109.5° | 114.0° |
| C60 | O62 | H104 | 109.5° | 116.9° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.4° |
| H8 | C04 | H9 | 109.4° | 109.4° |
| H10 | C05 | H11 | 109.4° | 109.5° |
| H12 | C06 | H13 | 109.5° | 109.5° |
| H14 | C07 | H15 | 109.5° | 109.5° |
| H16 | C08 | H17 | 109.5° | 109.5° |
| H18 | C09 | H19 | 109.5° | 109.5° |
| H20 | C10 | H21 | 109.4° | 109.5° |
| H22 | C11 | H23 | 109.5° | 109.5° |
| H24 | C12 | H25 | 109.5° | 109.4° |
| H26 | C13 | H27 | 109.5° | 109.4° |
| H28 | C14 | H29 | 109.5° | 109.4° |
| H30 | C15 | H31 | 109.4° | 109.4° |
| H32 | C16 | H33 | 109.5° | 109.5° |
| H34 | C17 | H35 | 109.5° | 109.5° |
| H37 | C22 | H38 | 109.5° | 109.5° |
| H44 | C30 | H45 | 109.5° | 109.5° |
| H51 | C39 | H52 | 109.5° | 109.5° |
| H53 | C44 | H54 | 109.5° | 109.5° |
| H60 | C51 | H61 | 109.5° | 109.4° |
| H62 | C58 | H63 | 109.4° | 109.5° |
| H62 | C58 | H64 | 109.4° | 109.5° |
| H63 | C58 | H64 | 109.5° | 109.5° |
| H68 | C69 | H69 | 109.5° | 109.5° |
| H70 | C70 | H71 | 109.4° | 109.5° |
| H72 | C71 | H73 | 109.5° | 109.4° |
| H74 | C72 | H75 | 109.5° | 109.5° |
| H76 | C73 | H77 | 109.5° | 109.4° |
| H78 | C74 | H79 | 109.5° | 109.5° |
| H80 | C75 | H81 | 109.5° | 109.5° |
| H82 | C76 | H83 | 109.5° | 109.5° |
| H84 | C77 | H85 | 109.5° | 109.5° |
| H86 | C78 | H87 | 109.5° | 109.5° |
| H88 | C79 | H89 | 109.5° | 109.5° |
| H90 | C80 | H91 | 109.4° | 109.4° |
| H92 | C81 | H93 | 109.5° | 109.4° |
| H92 | C81 | H94 | 109.5° | 109.5° |
| H93 | C81 | H94 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C81 | C80 | C79 | H90 | 120.3° | 120.1° |
| C81 | C80 | C79 | H91 | 120.3° | 120.0° |
| C81 | C80 | C79 | C78 | 92.4° | 180.0° |
| C81 | C80 | C79 | H88 | 147.3° | 60.0° |
| C81 | C80 | C79 | H89 | 27.9° | 60.0° |
| C81 | C80 | H90 | H91 | 119.1° | 120.0° |
| C80 | C81 | H92 | H93 | 120.0° | 120.0° |
| C80 | C81 | H92 | H94 | 120.0° | 120.0° |
| C80 | C81 | H93 | H94 | 120.0° | 120.0° |
| C80 | C79 | C78 | H88 | 120.3° | 120.0° |
| C80 | C79 | C78 | H89 | 120.3° | 120.0° |
| C80 | C79 | C78 | C77 | 87.4° | 180.0° |
| C80 | C79 | C78 | H86 | 152.2° | 60.0° |
| C80 | C79 | C78 | H87 | 33.0° | 60.0° |
| C80 | C79 | H88 | H89 | 119.1° | 119.9° |
| C79 | C80 | H90 | H91 | 119.1° | 119.9° |
| C79 | C80 | C81 | H92 | 180.0° | 180.0° |
| C79 | C80 | C81 | H93 | 60.0° | 60.0° |
| C79 | C80 | C81 | H94 | 60.0° | 60.0° |
| C01 | C02 | C03 | H4 | 120.3° | 120.0° |
| C01 | C02 | C03 | H5 | 120.3° | 120.1° |
| C01 | C02 | C03 | C04 | 17.5° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 119.9° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 119.1° | 120.1° |
| C01 | C02 | C03 | H6 | 102.8° | 60.0° |
| C01 | C02 | C03 | H7 | 137.9° | 59.9° |
| C02 | C03 | C04 | H6 | 120.4° | 120.0° |
| C02 | C03 | C04 | H7 | 120.4° | 120.1° |
| C02 | C03 | C04 | C05 | 145.7° | 180.0° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 180.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | H4 | H5 | 119.1° | 119.9° |
| C02 | C03 | H6 | H7 | 118.8° | 120.0° |
| C02 | C03 | C04 | H8 | 25.4° | 60.0° |
| C02 | C03 | C04 | H9 | 93.9° | 59.9° |
| C79 | C78 | C77 | H86 | 120.4° | 120.0° |
| C79 | C78 | C77 | H87 | 120.4° | 120.0° |
| C79 | C78 | C77 | C76 | 115.5° | 180.0° |
| C79 | C78 | C77 | H84 | 124.3° | 60.0° |
| C79 | C78 | C77 | H85 | 4.7° | 60.0° |
| C79 | C78 | H86 | H87 | 118.9° | 120.0° |
| C78 | C79 | H88 | H89 | 119.0° | 120.0° |
| C78 | C79 | C80 | H90 | 27.9° | 59.9° |
| C78 | C79 | C80 | H91 | 147.3° | 60.0° |
| C03 | C04 | C05 | H8 | 120.3° | 120.0° |
| C03 | C04 | C05 | H9 | 120.3° | 120.1° |
| C03 | C04 | C05 | C06 | 54.8° | 180.0° |
| C04 | C03 | C02 | H4 | 137.8° | 60.0° |
| C04 | C03 | C02 | H5 | 102.8° | 59.9° |
| C04 | C03 | H6 | H7 | 118.9° | 120.0° |
| C03 | C04 | H8 | H9 | 119.0° | 120.0° |
| C03 | C04 | C05 | H10 | 175.0° | 60.0° |
| C03 | C04 | C05 | H11 | 65.5° | 60.0° |
| C78 | C77 | C76 | H84 | 120.2° | 120.0° |
| C78 | C77 | C76 | H85 | 120.2° | 120.0° |
| C78 | C77 | C76 | C75 | 143.4° | 180.0° |
| C78 | C77 | C76 | H82 | 96.1° | 60.0° |
| C78 | C77 | C76 | H83 | 23.0° | 60.0° |
| C78 | C77 | H84 | H85 | 119.4° | 120.1° |
| C77 | C78 | H86 | H87 | 118.8° | 120.1° |
| C77 | C78 | C79 | H88 | 32.9° | 60.0° |
| C77 | C78 | C79 | H89 | 152.3° | 60.0° |
| C04 | C05 | C06 | H10 | 120.3° | 120.0° |
| C04 | C05 | C06 | H11 | 120.3° | 119.9° |
| C04 | C05 | C06 | C07 | 132.3° | 180.0° |
| C05 | C04 | C03 | H6 | 93.9° | 60.0° |
| C05 | C04 | C03 | H7 | 25.4° | 60.0° |
| C05 | C04 | H8 | H9 | 119.1° | 119.9° |
| C04 | C05 | H10 | H11 | 119.3° | 119.9° |
| C04 | C05 | C06 | H12 | 12.0° | 60.0° |
| C04 | C05 | C06 | H13 | 107.3° | 60.0° |
| C77 | C76 | C75 | H82 | 120.5° | 120.0° |
| C77 | C76 | C75 | H83 | 120.5° | 120.0° |
| C77 | C76 | C75 | C74 | 7.3° | 180.0° |
| C77 | C76 | C75 | H80 | 127.6° | 60.0° |
| C77 | C76 | C75 | H81 | 113.0° | 60.0° |
| C77 | C76 | H82 | H83 | 118.6° | 120.0° |
| C76 | C77 | H84 | H85 | 119.4° | 120.0° |
| C76 | C77 | C78 | H86 | 4.9° | 60.0° |
| C76 | C77 | C78 | H87 | 124.1° | 60.0° |
| C05 | C06 | C07 | H12 | 120.3° | 120.0° |
| C05 | C06 | C07 | H13 | 120.4° | 120.0° |
| C05 | C06 | C07 | C08 | 28.9° | 180.0° |
| C06 | C05 | C04 | H8 | 65.6° | 59.9° |
| C06 | C05 | C04 | H9 | 175.1° | 60.0° |
| C06 | C05 | H10 | H11 | 119.2° | 120.1° |
| C05 | C06 | H12 | H13 | 118.9° | 120.0° |
| C05 | C06 | C07 | H14 | 91.4° | 60.0° |
| C05 | C06 | C07 | H15 | 149.2° | 60.0° |
| C76 | C75 | C74 | H80 | 120.3° | 120.0° |
| C76 | C75 | C74 | H81 | 120.3° | 120.0° |
| C76 | C75 | C74 | C73 | 152.5° | 180.0° |
| C76 | C75 | C74 | H78 | 87.3° | 60.0° |
| C76 | C75 | C74 | H79 | 32.2° | 60.0° |
| C76 | C75 | H80 | H81 | 119.2° | 120.0° |
| C75 | C76 | H82 | H83 | 118.6° | 120.1° |
| C75 | C76 | C77 | H84 | 23.2° | 60.0° |
| C75 | C76 | C77 | H85 | 96.4° | 60.0° |
| C06 | C07 | C08 | H14 | 120.3° | 120.0° |
| C06 | C07 | C08 | H15 | 120.3° | 120.0° |
| C06 | C07 | C08 | C09 | 114.4° | 180.0° |
| C07 | C06 | C05 | H10 | 107.4° | 60.0° |
| C07 | C06 | C05 | H11 | 12.0° | 60.1° |
| C07 | C06 | H12 | H13 | 118.9° | 120.0° |
| C06 | C07 | H14 | H15 | 119.0° | 120.0° |
| C06 | C07 | C08 | H16 | 5.8° | 60.0° |
| C06 | C07 | C08 | H17 | 125.4° | 60.0° |
| C07 | C08 | C09 | H16 | 120.2° | 120.0° |
| C07 | C08 | C09 | H17 | 120.2° | 120.0° |
| C07 | C08 | C09 | C10 | 38.8° | NaN° |
| C08 | C07 | C06 | H12 | 149.3° | 60.0° |
| C08 | C07 | C06 | H13 | 91.5° | 60.0° |
| C08 | C07 | H14 | H15 | 119.0° | 120.0° |
| C07 | C08 | H16 | H17 | 119.4° | 120.0° |
| C07 | C08 | C09 | H18 | 81.4° | 60.0° |
| C07 | C08 | C09 | H19 | 159.1° | 60.0° |
| C75 | C74 | C73 | H78 | 120.3° | 120.0° |
| C75 | C74 | C73 | H79 | 120.3° | 120.0° |
| C75 | C74 | C73 | C72 | 13.0° | 180.0° |
| C75 | C74 | C73 | H76 | 133.4° | 60.0° |
| C75 | C74 | C73 | H77 | 107.4° | 60.0° |
| C75 | C74 | H78 | H79 | 119.2° | 120.0° |
| C74 | C75 | H80 | H81 | 119.2° | 120.0° |
| C74 | C75 | C76 | H82 | 113.2° | 60.0° |
| C74 | C75 | C76 | H83 | 127.7° | 60.0° |
| C74 | C73 | C72 | H76 | 120.4° | 120.0° |
| C74 | C73 | C72 | H77 | 120.4° | 120.0° |
| C74 | C73 | C72 | C71 | 127.7° | 180.0° |
| C74 | C73 | C72 | H74 | 112.2° | 60.0° |
| C74 | C73 | C72 | H75 | 7.5° | 60.0° |
| C74 | C73 | H76 | H77 | 118.8° | 120.0° |
| C73 | C74 | H78 | H79 | 119.2° | 120.1° |
| C73 | C74 | C75 | H80 | 32.2° | 60.0° |
| C73 | C74 | C75 | H81 | 87.3° | 60.0° |
| C08 | C09 | C10 | H18 | 120.3° | 120.0° |
| C08 | C09 | C10 | H19 | 120.3° | 120.0° |
| C08 | C09 | C10 | C11 | 121.0° | 180.0° |
| C09 | C08 | C07 | H14 | 125.3° | 60.0° |
| C09 | C08 | C07 | H15 | 5.9° | 60.0° |
| C09 | C08 | H16 | H17 | 119.4° | 120.1° |
| C08 | C09 | H18 | H19 | 119.1° | 120.1° |
| C08 | C09 | C10 | H20 | 0.7° | 60.0° |
| C08 | C09 | C10 | H21 | 118.7° | 60.0° |
| C73 | C72 | C71 | H74 | 120.1° | 120.0° |
| C73 | C72 | C71 | H75 | 120.1° | 120.0° |
| C73 | C72 | C71 | C70 | 119.5° | 180.0° |
| C73 | C72 | C71 | H72 | 119.8° | 59.9° |
| C73 | C72 | C71 | H73 | 1.1° | 60.0° |
| C73 | C72 | H74 | H75 | 119.6° | 120.1° |
| C72 | C73 | H76 | H77 | 118.7° | 120.0° |
| C72 | C73 | C74 | H78 | 107.3° | 60.0° |
| C72 | C73 | C74 | H79 | 133.3° | 60.0° |
| C09 | C10 | C11 | H20 | 120.3° | 120.0° |
| C09 | C10 | C11 | H21 | 120.3° | 120.0° |
| C09 | C10 | C11 | C12 | 77.8° | 180.0° |
| C10 | C09 | C08 | H16 | 159.1° | 60.0° |
| C10 | C09 | C08 | H17 | 81.4° | 60.0° |
| C10 | C09 | H18 | H19 | 119.1° | 120.0° |
| C09 | C10 | H20 | H21 | 119.1° | 120.0° |
| C09 | C10 | C11 | H22 | 42.5° | 60.0° |
| C09 | C10 | C11 | H23 | 162.0° | 60.0° |
| C10 | C11 | C12 | H22 | 120.3° | 120.0° |
| C10 | C11 | C12 | H23 | 120.2° | 120.0° |
| C10 | C11 | C12 | C13 | 127.6° | 180.0° |
| C11 | C10 | C09 | H18 | 118.7° | 60.0° |
| C11 | C10 | C09 | H19 | 0.7° | 60.0° |
| C11 | C10 | H20 | H21 | 119.1° | 120.0° |
| C10 | C11 | H22 | H23 | 119.2° | 120.0° |
| C10 | C11 | C12 | H24 | 7.3° | 60.0° |
| C10 | C11 | C12 | H25 | 112.2° | 59.9° |
| C72 | C71 | C70 | H72 | 120.6° | 120.1° |
| C72 | C71 | C70 | H73 | 120.6° | 120.0° |
| C72 | C71 | C70 | C69 | 50.1° | 180.0° |
| C72 | C71 | C70 | H70 | 170.8° | 60.0° |
| C72 | C71 | C70 | H71 | 70.6° | 60.0° |
| C72 | C71 | H72 | H73 | 118.1° | 119.9° |
| C71 | C72 | H74 | H75 | 119.6° | 119.9° |
| C71 | C72 | C73 | H76 | 7.2° | 59.9° |
| C71 | C72 | C73 | H77 | 111.9° | 60.0° |
| C11 | C12 | C13 | H24 | 120.3° | 120.0° |
| C11 | C12 | C13 | H25 | 120.3° | 120.1° |
| C11 | C12 | C13 | C14 | 23.9° | 180.0° |
| C12 | C11 | C10 | H20 | 162.0° | 60.0° |
| C12 | C11 | C10 | H21 | 42.6° | 60.0° |
| C12 | C11 | H22 | H23 | 119.2° | 120.1° |
| C11 | C12 | H24 | H25 | 119.1° | 120.0° |
| C11 | C12 | C13 | H26 | 96.4° | 59.9° |
| C11 | C12 | C13 | H27 | 144.3° | 60.0° |
| C71 | C70 | C69 | H70 | 120.7° | 120.0° |
| C71 | C70 | C69 | H71 | 120.7° | 120.0° |
| C71 | C70 | C69 | C68 | 153.2° | 180.0° |
| C71 | C70 | C69 | H68 | 86.8° | 60.0° |
| C71 | C70 | C69 | H69 | 33.2° | 60.0° |
| C71 | C70 | H70 | H71 | 117.9° | 120.0° |
| C70 | C71 | H72 | H73 | 118.1° | 120.0° |
| C70 | C71 | C72 | H74 | 0.6° | 60.0° |
| C70 | C71 | C72 | H75 | 120.3° | 60.0° |
| C12 | C13 | C14 | C15 | 158.1° | 180.0° |
| C12 | C13 | C14 | H26 | 120.4° | 120.1° |
| C12 | C13 | C14 | H27 | 120.4° | 120.0° |
| C13 | C12 | C11 | H22 | 112.2° | 60.0° |
| C13 | C12 | C11 | H23 | 7.3° | 60.0° |
| C13 | C12 | H24 | H25 | 119.1° | 120.0° |
| C12 | C13 | H26 | H27 | 118.9° | 119.9° |
| C12 | C13 | C14 | H28 | 37.8° | 60.0° |
| C12 | C13 | C14 | H29 | 81.7° | 60.0° |
| C15 | C14 | C13 | H28 | 120.2° | 120.0° |
| C15 | C14 | C13 | H29 | 120.3° | 120.0° |
| C14 | C15 | C16 | H30 | 120.4° | 120.0° |
| C14 | C15 | C16 | H31 | 120.4° | 120.0° |
| C14 | C15 | C16 | C17 | 166.9° | 180.0° |
| C15 | C14 | C13 | H26 | 37.7° | 59.9° |
| C15 | C14 | C13 | H27 | 81.6° | 60.0° |
| C15 | C14 | H28 | H29 | 119.2° | 119.9° |
| C14 | C15 | H30 | H31 | 119.0° | 120.0° |
| C14 | C15 | C16 | H32 | 72.9° | 59.9° |
| C14 | C15 | C16 | H33 | 46.7° | 60.0° |
| C13 | C14 | C15 | C16 | 15.0° | 180.0° |
| C14 | C13 | C12 | H24 | 144.2° | 60.0° |
| C14 | C13 | C12 | H25 | 96.4° | 60.0° |
| C14 | C13 | H26 | H27 | 118.9° | 120.0° |
| C13 | C14 | H28 | H29 | 119.2° | 120.0° |
| C13 | C14 | C15 | H30 | 135.3° | 60.0° |
| C13 | C14 | C15 | H31 | 105.4° | 60.0° |
| C70 | C69 | C68 | H68 | 120.0° | 119.9° |
| C70 | C69 | C68 | H69 | 120.0° | 120.0° |
| C70 | C69 | C68 | C67 | 43.0° | 125.0° |
| C70 | C69 | C68 | H67 | 137.0° | 55.0° |
| C70 | C69 | H68 | H69 | 120.0° | 120.0° |
| C69 | C70 | H70 | H71 | 117.9° | 120.0° |
| C69 | C70 | C71 | H72 | 70.5° | 60.0° |
| C69 | C70 | C71 | H73 | 170.7° | 60.0° |
| C15 | C16 | C17 | H32 | 120.2° | 120.1° |
| C15 | C16 | C17 | H33 | 120.2° | 120.0° |
| C15 | C16 | C17 | C18 | 175.7° | 180.0° |
| C16 | C15 | C14 | H28 | 135.2° | 59.9° |
| C16 | C15 | C14 | H29 | 105.3° | 60.0° |
| C16 | C15 | H30 | H31 | 119.0° | 120.0° |
| C15 | C16 | H32 | H33 | 119.5° | 119.9° |
| C15 | C16 | C17 | H34 | 63.8° | 60.0° |
| C15 | C16 | C17 | H35 | 55.1° | 60.0° |
| C69 | C68 | C67 | H67 | 180.0° | 180.0° |
| C69 | C68 | C67 | C66 | 179.3° | 180.0° |
| C69 | C68 | C67 | H66 | 0.7° | 0.1° |
| C68 | C69 | H68 | H69 | 120.0° | 120.0° |
| C68 | C69 | C70 | H70 | 32.5° | 60.1° |
| C68 | C69 | C70 | H71 | 86.1° | 60.0° |
| C16 | C17 | C18 | H34 | 120.6° | 120.0° |
| C16 | C17 | C18 | H35 | 120.6° | 120.0° |
| C16 | C17 | C18 | N20 | 55.9° | 180.0° |
| C16 | C17 | C18 | O19 | 123.5° | 0.0° |
| C17 | C16 | C15 | H30 | 46.5° | 60.0° |
| C17 | C16 | C15 | H31 | 72.7° | 60.0° |
| C17 | C16 | H32 | H33 | 119.5° | 120.0° |
| C16 | C17 | H34 | H35 | 118.2° | 120.0° |
| C68 | C67 | C66 | H66 | 180.0° | 179.9° |
| C68 | C67 | C66 | O82 | 14.4° | 5.0° |
| C68 | C67 | C66 | C21 | 103.4° | 125.0° |
| C68 | C67 | C66 | H65 | 135.8° | 115.0° |
| C67 | C68 | C69 | H68 | 77.0° | 115.0° |
| C67 | C68 | C69 | H69 | 163.0° | 5.0° |
| C17 | C18 | N20 | O19 | 179.3° | 180.0° |
| C17 | C18 | N20 | C21 | 178.8° | 180.0° |
| C18 | C17 | C16 | H32 | 55.5° | 60.0° |
| C18 | C17 | C16 | H33 | 64.2° | 60.0° |
| C18 | C17 | H34 | H35 | 118.2° | 120.0° |
| C17 | C18 | N20 | H95 | 1.2° | 0.1° |
| O52 | C51 | C50 | H60 | 119.7° | 120.1° |
| O52 | C51 | C50 | H61 | 119.7° | 120.1° |
| O52 | C51 | C50 | O53 | 136.5° | 65.0° |
| O52 | C51 | C50 | C49 | 105.1° | 175.0° |
| O52 | C51 | C50 | H59 | 16.0° | 55.0° |
| O52 | C51 | H60 | H61 | 120.7° | 120.0° |
| C67 | C66 | C21 | N20 | 26.5° | 60.0° |
| C67 | C66 | O82 | C21 | 120.4° | 120.0° |
| C67 | C66 | O82 | H65 | 120.0° | 120.0° |
| C67 | C66 | C21 | H65 | 120.9° | 120.1° |
| C67 | C66 | C21 | C22 | 143.3° | 180.0° |
| C67 | C66 | C21 | H36 | 92.3° | 59.9° |
| C66 | C67 | C68 | H67 | 0.7° | 0.0° |
| C67 | C66 | O82 | H108 | 180.0° | 60.0° |
| C18 | N20 | C21 | H95 | 180.0° | 180.0° |
| C18 | N20 | C21 | C66 | 143.5° | 85.0° |
| C18 | N20 | C21 | C22 | 25.2° | 155.0° |
| N20 | C18 | C17 | H34 | 176.4° | 60.0° |
| N20 | C18 | C17 | H35 | 64.7° | 60.0° |
| C18 | N20 | C21 | H36 | 98.3° | 35.0° |
| O19 | C18 | N20 | C21 | 1.9° | 0.0° |
| O19 | C18 | C17 | H34 | 2.9° | 120.0° |
| O19 | C18 | C17 | H35 | 115.9° | 120.0° |
| O19 | C18 | N20 | H95 | 178.1° | 180.0° |
| N20 | C21 | C66 | O82 | 144.5° | 180.0° |
| N20 | C21 | C66 | C22 | 116.8° | 120.0° |
| N20 | C21 | C66 | H36 | 118.8° | 120.0° |
| N20 | C21 | C22 | H36 | 124.5° | 120.0° |
| N20 | C21 | C22 | O23 | 134.3° | 65.0° |
| N20 | C21 | C22 | H37 | 103.9° | 175.0° |
| N20 | C21 | C22 | H38 | 12.6° | 55.0° |
| N20 | C21 | C66 | H65 | 94.4° | 60.0° |
| C51 | C50 | O53 | C49 | 121.3° | 120.0° |
| C51 | C50 | O53 | H59 | 119.3° | 120.0° |
| C51 | C50 | C49 | H59 | 121.1° | 120.0° |
| C51 | C50 | C49 | O54 | 158.5° | 62.3° |
| C51 | C50 | C49 | C47 | 82.5° | 177.8° |
| C51 | C50 | C49 | H58 | 37.9° | 57.8° |
| C50 | C51 | H60 | H61 | 120.7° | 119.9° |
| C50 | C51 | O52 | H100 | 180.0° | 180.0° |
| C51 | C50 | O53 | H101 | 180.0° | 60.0° |
| O82 | C66 | C21 | H65 | 121.1° | 120.0° |
| O82 | C66 | C21 | C22 | 98.7° | 60.0° |
| O82 | C66 | C21 | H36 | 25.7° | 60.0° |
| O82 | C66 | C67 | H66 | 165.6° | 175.0° |
| C66 | C21 | C22 | H36 | 124.9° | 120.0° |
| C66 | C21 | C22 | O23 | 23.7° | 55.0° |
| C66 | C21 | C22 | H37 | 145.5° | 65.0° |
| C66 | C21 | C22 | H38 | 98.0° | 175.0° |
| C21 | C66 | C67 | H66 | 76.6° | 55.1° |
| C66 | C21 | N20 | H95 | 36.5° | 95.0° |
| C21 | C66 | O82 | H108 | 59.6° | 60.0° |
| O53 | C50 | C49 | H59 | 120.6° | 120.0° |
| O53 | C50 | C49 | O54 | 83.3° | 177.7° |
| O53 | C50 | C49 | C47 | 35.7° | 57.8° |
| O53 | C50 | C49 | H58 | 156.2° | 62.2° |
| O53 | C50 | C51 | H60 | 16.8° | 175.0° |
| O53 | C50 | C51 | H61 | 103.7° | 55.1° |
| C50 | C49 | O54 | C47 | 121.4° | 119.9° |
| C50 | C49 | O54 | H58 | 119.3° | 120.1° |
| C50 | C49 | C47 | H58 | 120.3° | 120.0° |
| C50 | C49 | C47 | C46 | 133.2° | 177.1° |
| C50 | C49 | C47 | O48 | 107.0° | 57.2° |
| C50 | C49 | C47 | H57 | 13.9° | 62.8° |
| C49 | C50 | C51 | H60 | 135.1° | 55.0° |
| C49 | C50 | C51 | H61 | 14.6° | 64.9° |
| C49 | C50 | O53 | H101 | 58.7° | 60.0° |
| C50 | C49 | O54 | H102 | 180.0° | 59.9° |
| O57 | C56 | N55 | C58 | 179.9° | 180.0° |
| O57 | C56 | N55 | C46 | 179.8° | 0.0° |
| O57 | C56 | C58 | H62 | 0.0° | 180.0° |
| O57 | C56 | C58 | H63 | 120.0° | 60.0° |
| O57 | C56 | C58 | H64 | 120.0° | 60.0° |
| O57 | C56 | N55 | H96 | 0.2° | 179.9° |
| C21 | C22 | O23 | H37 | 121.7° | 120.0° |
| C21 | C22 | O23 | H38 | 121.7° | 120.0° |
| C21 | C22 | O23 | C24 | 168.5° | 180.0° |
| C21 | C22 | H37 | H38 | 114.4° | 120.1° |
| C22 | C21 | C66 | H65 | 22.4° | 60.0° |
| C22 | C21 | N20 | H95 | 154.8° | 25.0° |
| O54 | C49 | C47 | H58 | 120.5° | 120.1° |
| O54 | C49 | C47 | C46 | 107.7° | 57.2° |
| O54 | C49 | C47 | O48 | 12.1° | 62.7° |
| O54 | C49 | C47 | H57 | 133.0° | 177.2° |
| O54 | C49 | C50 | H59 | 37.4° | 57.8° |
| C49 | C47 | C46 | N55 | 59.5° | 62.4° |
| C49 | C47 | C46 | O48 | 118.3° | 120.0° |
| C49 | C47 | C46 | H57 | 119.2° | 120.1° |
| C49 | C47 | O48 | H57 | 120.4° | 120.1° |
| C49 | C47 | C46 | C45 | 178.6° | 177.6° |
| C49 | C47 | O48 | C43 | 165.9° | 178.9° |
| C49 | C47 | C46 | H56 | 58.6° | 57.6° |
| C47 | C49 | C50 | H59 | 156.4° | 62.2° |
| C47 | C49 | O54 | H102 | 58.6° | 60.0° |
| C56 | N55 | C46 | H96 | 180.0° | 179.9° |
| C56 | N55 | C46 | C47 | 129.1° | 155.3° |
| C56 | N55 | C46 | C45 | 107.5° | 84.9° |
| C56 | N55 | C46 | H56 | 11.5° | 35.2° |
| N55 | C56 | C58 | H62 | 179.9° | 0.0° |
| N55 | C56 | C58 | H63 | 59.9° | 119.9° |
| N55 | C56 | C58 | H64 | 60.1° | 120.0° |
| C58 | C56 | N55 | C46 | 0.1° | 180.0° |
| C56 | C58 | H62 | H63 | 120.0° | 120.0° |
| C56 | C58 | H62 | H64 | 120.0° | 119.9° |
| C56 | C58 | H63 | H64 | 120.0° | 120.0° |
| C58 | C56 | N55 | H96 | 179.9° | 0.1° |
| C22 | O23 | C24 | O29 | 88.2° | 65.1° |
| C22 | O23 | C24 | C25 | 36.0° | 175.0° |
| O23 | C22 | C21 | H36 | 101.1° | 175.0° |
| O23 | C22 | H37 | H38 | 114.4° | 120.0° |
| C22 | O23 | C24 | H39 | 155.0° | 54.9° |
| O31 | C30 | C28 | O29 | 46.9° | 65.1° |
| O31 | C30 | C28 | H44 | 119.8° | 120.0° |
| O31 | C30 | C28 | H45 | 119.7° | 120.0° |
| O31 | C30 | C28 | C27 | 170.1° | 175.0° |
| O31 | C30 | C28 | H43 | 70.7° | 55.0° |
| O31 | C30 | H44 | H45 | 120.7° | 120.1° |
| N55 | C46 | C47 | C45 | 121.9° | 120.0° |
| N55 | C46 | C47 | H56 | 118.1° | 120.1° |
| N55 | C46 | C47 | O48 | 177.8° | 177.6° |
| N55 | C46 | C45 | H56 | 119.0° | 120.1° |
| N55 | C46 | C45 | O59 | 105.1° | 63.2° |
| N55 | C46 | C45 | C44 | 135.2° | 177.0° |
| N55 | C46 | C45 | H55 | 14.2° | 57.0° |
| N55 | C46 | C47 | H57 | 59.7° | 57.6° |
| O23 | C24 | O29 | C25 | 125.9° | 119.9° |
| O23 | C24 | O29 | H39 | 116.9° | 120.0° |
| O23 | C24 | O29 | C28 | 178.5° | 178.9° |
| O23 | C24 | C25 | H39 | 119.6° | 120.1° |
| O23 | C24 | C25 | C26 | 171.9° | 177.6° |
| O23 | C24 | C25 | O65 | 65.3° | 62.6° |
| C24 | O23 | C22 | H37 | 69.8° | 60.0° |
| C24 | O23 | C22 | H38 | 46.8° | 59.9° |
| O23 | C24 | C25 | H40 | 52.5° | 57.6° |
| C24 | O29 | C28 | C30 | 176.4° | 178.8° |
| O29 | C24 | C25 | H39 | 117.6° | 120.0° |
| C24 | O29 | C28 | C27 | 60.5° | 61.2° |
| O29 | C24 | C25 | C26 | 49.1° | 57.7° |
| O29 | C24 | C25 | O65 | 171.9° | 177.6° |
| O29 | C24 | C25 | H40 | 70.3° | 62.2° |
| C24 | O29 | C28 | H43 | 59.3° | 58.8° |
| O29 | C28 | C30 | C27 | 123.1° | 120.0° |
| O29 | C28 | C30 | H43 | 117.6° | 120.0° |
| C28 | O29 | C24 | C25 | 55.6° | 61.2° |
| O29 | C28 | C27 | H43 | 120.3° | 120.0° |
| O29 | C28 | C27 | C26 | 56.2° | 57.6° |
| O29 | C28 | C27 | O32 | 172.2° | 177.5° |
| C28 | O29 | C24 | H39 | 61.6° | 58.8° |
| O29 | C28 | C27 | H42 | 65.7° | 62.3° |
| O29 | C28 | C30 | H44 | 72.8° | 174.9° |
| O29 | C28 | C30 | H45 | 166.7° | 54.9° |
| C46 | C47 | O48 | H57 | 122.1° | 120.0° |
| C47 | C46 | C45 | H56 | 119.5° | 119.9° |
| C46 | C47 | O48 | C43 | 48.3° | 61.2° |
| C47 | C46 | C45 | O59 | 133.5° | 176.8° |
| C47 | C46 | C45 | C44 | 13.7° | 57.0° |
| C47 | C46 | C45 | H55 | 107.3° | 63.0° |
| C46 | C47 | C49 | H58 | 12.8° | 62.9° |
| C47 | C46 | N55 | H96 | 50.8° | 24.8° |
| O48 | C47 | C46 | C45 | 60.3° | 57.6° |
| C47 | O48 | C43 | C44 | 5.4° | 61.2° |
| C47 | O48 | C43 | C60 | 123.3° | 58.8° |
| C47 | O48 | C43 | O42 | 118.7° | 178.9° |
| O48 | C47 | C46 | H56 | 59.7° | 62.3° |
| O48 | C47 | C49 | H58 | 132.7° | 177.2° |
| C30 | C28 | C27 | H43 | 119.3° | 120.0° |
| C30 | C28 | C27 | C26 | 176.6° | 177.6° |
| C30 | C28 | C27 | O32 | 67.4° | 62.5° |
| C30 | C28 | C27 | H42 | 54.7° | 57.7° |
| C28 | C30 | H44 | H45 | 120.7° | 119.9° |
| C28 | C30 | O31 | H97 | 180.0° | 180.0° |
| C46 | C45 | O59 | C44 | 122.5° | 119.5° |
| C46 | C45 | O59 | H55 | 118.6° | 120.2° |
| C46 | C45 | C44 | H55 | 121.0° | 119.9° |
| C46 | C45 | C44 | C43 | 40.4° | 57.0° |
| C46 | C45 | C44 | H53 | 80.3° | 62.9° |
| C46 | C45 | C44 | H54 | 161.1° | 176.9° |
| C45 | C46 | C47 | H57 | 62.2° | 62.4° |
| C45 | C46 | N55 | H96 | 72.5° | 95.0° |
| C46 | C45 | O59 | H103 | 180.0° | 179.6° |
| C24 | C25 | C26 | O65 | 123.1° | 119.9° |
| C24 | C25 | C26 | H40 | 119.1° | 120.0° |
| C24 | C25 | O65 | H40 | 116.9° | 120.2° |
| C24 | C25 | C26 | C27 | 46.4° | 57.0° |
| C24 | C25 | C26 | O64 | 167.6° | 176.9° |
| C24 | C25 | C26 | H41 | 74.0° | 62.9° |
| C24 | C25 | O65 | H107 | 180.0° | 60.0° |
| C28 | C27 | C26 | C25 | 48.4° | 57.0° |
| C28 | C27 | C26 | O32 | 118.7° | 119.9° |
| C28 | C27 | C26 | H42 | 121.4° | 120.0° |
| C28 | C27 | O32 | H42 | 121.4° | 120.3° |
| C28 | C27 | O32 | C33 | 113.5° | 150.3° |
| C28 | C27 | C26 | O64 | 169.5° | 176.8° |
| C28 | C27 | C26 | H41 | 71.9° | 63.0° |
| C27 | C28 | C30 | H44 | 50.3° | 55.0° |
| C27 | C28 | C30 | H45 | 70.2° | 65.0° |
| O48 | C43 | C44 | C45 | 52.2° | 57.7° |
| O48 | C43 | C60 | O61 | 45.6° | 115.1° |
| O48 | C43 | C44 | C60 | 118.4° | 120.0° |
| O48 | C43 | C44 | O42 | 124.7° | 120.0° |
| O48 | C43 | C60 | O42 | 120.2° | 120.1° |
| O48 | C43 | O42 | C35 | 5.3° | 54.4° |
| O48 | C43 | C60 | O62 | 133.9° | 64.9° |
| O48 | C43 | C44 | H53 | 68.4° | 62.3° |
| O48 | C43 | C44 | H54 | 172.9° | 177.6° |
| C43 | O48 | C47 | H57 | 73.8° | 58.8° |
| O40 | C39 | C37 | H51 | 119.7° | 120.0° |
| O40 | C39 | C37 | H52 | 119.7° | 120.0° |
| O40 | C39 | C37 | O38 | 117.3° | 65.0° |
| O40 | C39 | C37 | C36 | 122.0° | 175.1° |
| O40 | C39 | C37 | H50 | 2.8° | 55.0° |
| O40 | C39 | H51 | H52 | 120.7° | 120.0° |
| C26 | C25 | O65 | H40 | 117.1° | 120.1° |
| C25 | C26 | C27 | O64 | 121.1° | 119.9° |
| C25 | C26 | C27 | H41 | 120.3° | 119.9° |
| C25 | C26 | C27 | O32 | 167.2° | 176.9° |
| C25 | C26 | O64 | H41 | 117.6° | 120.2° |
| C26 | C25 | C24 | H39 | 68.5° | 62.3° |
| C25 | C26 | C27 | H42 | 73.0° | 63.0° |
| C25 | C26 | O64 | H106 | 180.0° | 60.0° |
| C26 | C25 | O65 | H107 | 54.0° | 179.7° |
| O65 | C25 | C26 | C27 | 169.5° | 176.9° |
| O65 | C25 | C26 | O64 | 69.2° | 63.3° |
| O65 | C25 | C24 | H39 | 54.3° | 57.5° |
| O65 | C25 | C26 | H41 | 49.2° | 56.9° |
| O59 | C45 | C44 | H55 | 119.6° | 120.2° |
| O59 | C45 | C44 | C43 | 79.0° | 176.8° |
| O59 | C45 | C44 | H53 | 160.4° | 56.9° |
| O59 | C45 | C44 | H54 | 41.7° | 63.2° |
| O59 | C45 | C46 | H56 | 13.9° | 56.9° |
| C45 | C44 | C43 | H53 | 120.7° | 119.9° |
| C45 | C44 | C43 | H54 | 120.7° | 119.9° |
| C45 | C44 | C43 | C60 | 170.6° | 62.4° |
| C45 | C44 | C43 | O42 | 72.5° | 177.6° |
| C45 | C44 | H53 | H54 | 118.0° | 120.1° |
| C44 | C45 | C46 | H56 | 105.8° | 63.0° |
| C44 | C45 | O59 | H103 | 57.6° | 60.0° |
| C26 | C27 | O32 | H42 | 119.7° | 120.1° |
| C26 | C27 | O32 | C33 | 127.7° | 90.0° |
| C27 | C26 | O64 | H41 | 117.9° | 120.2° |
| C27 | C26 | C25 | H40 | 72.7° | 63.0° |
| C26 | C27 | C28 | H43 | 64.0° | 62.4° |
| C27 | C26 | O64 | H106 | 55.5° | 179.6° |
| C27 | O32 | C33 | O38 | 84.5° | 65.0° |
| C27 | O32 | C33 | C34 | 150.8° | 175.0° |
| O32 | C27 | C26 | O64 | 71.7° | 63.3° |
| O32 | C27 | C26 | H41 | 46.9° | 57.0° |
| O32 | C27 | C28 | H43 | 52.0° | 57.5° |
| C27 | O32 | C33 | H46 | 34.5° | 55.0° |
| O63 | C34 | C33 | O32 | 62.9° | 62.4° |
| O63 | C34 | C33 | O38 | 171.0° | 177.6° |
| O63 | C34 | C33 | C35 | 119.1° | 119.9° |
| O63 | C34 | C33 | H47 | 120.6° | 120.1° |
| O63 | C34 | C35 | H47 | 121.0° | 120.1° |
| O63 | C34 | C35 | C36 | 167.3° | 177.0° |
| O63 | C34 | C35 | O42 | 69.4° | 63.2° |
| O63 | C34 | C33 | H46 | 54.0° | 57.6° |
| O63 | C34 | C35 | H48 | 48.4° | 57.1° |
| C39 | C37 | O38 | C36 | 120.6° | 120.0° |
| C39 | C37 | O38 | H50 | 119.6° | 120.0° |
| C39 | C37 | C36 | H50 | 118.9° | 120.1° |
| C39 | C37 | O38 | C33 | 176.4° | 178.9° |
| C39 | C37 | C36 | C35 | 178.4° | 177.6° |
| C39 | C37 | C36 | O41 | 60.1° | 57.7° |
| C39 | C37 | C36 | H49 | 58.9° | 62.5° |
| C37 | C39 | H51 | H52 | 120.8° | 120.0° |
| C37 | C39 | O40 | H98 | 180.0° | 180.0° |
| O38 | C37 | C36 | H50 | 120.1° | 119.9° |
| C37 | O38 | C33 | O32 | 176.1° | 178.9° |
| C37 | O38 | C33 | C34 | 59.3° | 61.1° |
| O38 | C37 | C36 | C35 | 60.6° | 57.6° |
| O38 | C37 | C36 | O41 | 60.9° | 62.3° |
| C37 | O38 | C33 | H46 | 57.1° | 58.9° |
| O38 | C37 | C36 | H49 | 179.9° | 177.5° |
| O38 | C37 | C39 | H51 | 2.4° | 175.0° |
| O38 | C37 | C39 | H52 | 123.0° | 55.0° |
| C36 | C37 | O38 | C33 | 62.9° | 61.1° |
| C37 | C36 | C35 | C34 | 53.2° | 57.0° |
| C37 | C36 | C35 | O41 | 121.6° | 119.9° |
| C37 | C36 | C35 | H49 | 119.4° | 119.9° |
| C37 | C36 | C35 | O42 | 174.7° | 176.9° |
| C37 | C36 | O41 | H49 | 118.1° | 120.1° |
| C37 | C36 | C35 | H48 | 65.3° | 62.9° |
| C36 | C37 | C39 | H51 | 118.2° | 55.1° |
| C36 | C37 | C39 | H52 | 2.3° | 64.9° |
| C37 | C36 | O41 | H99 | 180.0° | 60.3° |
| O32 | C33 | O38 | C34 | 124.6° | 120.0° |
| O32 | C33 | O38 | H46 | 119.0° | 120.0° |
| O32 | C33 | C34 | H46 | 117.0° | 120.0° |
| O32 | C33 | C34 | C35 | 178.0° | 177.6° |
| C33 | O32 | C27 | H42 | 7.9° | 30.1° |
| O32 | C33 | C34 | H47 | 57.7° | 57.7° |
| O38 | C33 | C34 | H46 | 117.0° | 120.0° |
| O38 | C33 | C34 | C35 | 51.9° | 57.6° |
| O38 | C33 | C34 | H47 | 68.4° | 62.3° |
| C33 | O38 | C37 | H50 | 56.9° | 58.9° |
| C33 | C34 | C35 | H47 | 120.1° | 120.0° |
| C33 | C34 | C35 | C36 | 48.5° | 57.0° |
| C33 | C34 | C35 | O42 | 171.8° | 176.9° |
| C33 | C34 | C35 | H48 | 70.4° | 62.9° |
| C33 | C34 | O63 | H105 | 180.0° | 60.0° |
| O61 | C60 | C43 | C44 | 75.9° | 125.0° |
| O61 | C60 | C43 | O62 | 179.5° | 180.0° |
| O61 | C60 | C43 | O42 | 165.8° | 5.0° |
| O61 | C60 | O62 | H104 | 0.0° | 0.0° |
| C44 | C43 | C60 | O42 | 118.3° | 120.0° |
| C44 | C43 | O42 | C35 | 130.8° | 65.4° |
| C44 | C43 | C60 | O62 | 104.6° | 55.0° |
| C43 | C44 | H53 | H54 | 118.0° | 120.2° |
| C43 | C44 | C45 | H55 | 161.4° | 62.9° |
| C60 | C43 | O42 | C35 | 112.8° | 174.5° |
| C60 | C43 | C44 | H53 | 49.9° | 177.7° |
| C60 | C43 | C44 | H54 | 68.7° | 57.6° |
| C43 | C60 | O62 | H104 | 179.6° | 180.0° |
| C43 | O42 | C35 | C34 | 139.3° | 143.5° |
| C43 | O42 | C35 | C36 | 97.9° | 97.0° |
| O42 | C43 | C60 | O62 | 13.7° | 175.0° |
| C43 | O42 | C35 | H48 | 22.0° | 23.2° |
| O42 | C43 | C44 | H53 | 166.9° | 57.7° |
| O42 | C43 | C44 | H54 | 48.2° | 62.5° |
| O64 | C26 | C25 | H40 | 48.5° | 56.9° |
| O64 | C26 | C27 | H42 | 48.1° | 56.9° |
| C34 | C35 | C36 | O42 | 121.5° | 119.9° |
| C34 | C35 | C36 | H48 | 118.5° | 119.9° |
| C34 | C35 | O42 | H48 | 117.3° | 120.3° |
| C34 | C35 | C36 | O41 | 68.4° | 62.9° |
| C35 | C34 | C33 | H46 | 65.1° | 62.4° |
| C34 | C35 | C36 | H49 | 172.6° | 176.9° |
| C35 | C34 | O63 | H105 | 59.2° | 179.7° |
| C36 | C35 | O42 | H48 | 119.9° | 120.1° |
| C35 | C36 | O41 | H49 | 118.4° | 120.2° |
| C36 | C35 | C34 | H47 | 71.6° | 62.9° |
| C35 | C36 | C37 | H50 | 59.5° | 62.4° |
| C35 | C36 | O41 | H99 | 56.5° | 180.0° |
| O42 | C35 | C36 | O41 | 53.1° | 57.0° |
| O42 | C35 | C34 | H47 | 51.7° | 56.9° |
| O42 | C35 | C36 | H49 | 65.9° | 63.2° |
| O41 | C36 | C35 | H48 | 173.0° | 177.2° |
| O41 | C36 | C37 | H50 | 179.0° | 177.7° |
| H1 | C01 | H2 | H3 | 119.9° | 120.0° |
| H1 | C01 | C02 | H4 | 59.7° | 180.0° |
| H1 | C01 | C02 | H5 | 59.7° | 60.0° |
| H2 | C01 | C02 | H4 | 60.3° | 60.0° |
| H2 | C01 | C02 | H5 | 179.7° | 60.0° |
| H3 | C01 | C02 | H4 | 179.7° | 60.0° |
| H3 | C01 | C02 | H5 | 60.3° | 180.0° |
| H4 | C02 | C03 | H6 | 17.4° | 180.0° |
| H4 | C02 | C03 | H7 | 101.8° | 60.0° |
| H5 | C02 | C03 | H6 | 136.8° | 60.1° |
| H5 | C02 | C03 | H7 | 17.6° | 180.0° |
| H6 | C03 | C04 | H8 | 145.8° | NaN° |
| H6 | C03 | C04 | H9 | 26.5° | 60.1° |
| H7 | C03 | C04 | H8 | 95.0° | 60.1° |
| H7 | C03 | C04 | H9 | 145.7° | 180.0° |
| H8 | C04 | C05 | H10 | 54.7° | 180.0° |
| H8 | C04 | C05 | H11 | 174.2° | 60.0° |
| H9 | C04 | C05 | H10 | 64.6° | 60.1° |
| H9 | C04 | C05 | H11 | 54.9° | 179.9° |
| H10 | C05 | C06 | H12 | 132.3° | 180.0° |
| H10 | C05 | C06 | H13 | 13.0° | 59.9° |
| H11 | C05 | C06 | H12 | 108.3° | 59.9° |
| H11 | C05 | C06 | H13 | 132.4° | 179.9° |
| H12 | C06 | C07 | H14 | 28.9° | 180.0° |
| H12 | C06 | C07 | H15 | 90.4° | 60.0° |
| H13 | C06 | C07 | H14 | 148.2° | 60.0° |
| H13 | C06 | C07 | H15 | 28.9° | 180.0° |
| H14 | C07 | C08 | H16 | 114.5° | NaN° |
| H14 | C07 | C08 | H17 | 5.1° | 60.0° |
| H15 | C07 | C08 | H16 | 126.1° | 60.0° |
| H15 | C07 | C08 | H17 | 114.3° | 180.0° |
| H16 | C08 | C09 | H18 | 38.8° | 180.0° |
| H16 | C08 | C09 | H19 | 80.6° | 60.0° |
| H17 | C08 | C09 | H18 | 158.4° | 60.0° |
| H17 | C08 | C09 | H19 | 38.9° | 180.0° |
| H18 | C09 | C10 | H20 | 121.0° | NaN° |
| H18 | C09 | C10 | H21 | 1.6° | 60.0° |
| H19 | C09 | C10 | H20 | 119.5° | 60.0° |
| H19 | C09 | C10 | H21 | 121.1° | 180.0° |
| H20 | C10 | C11 | H22 | 77.8° | NaN° |
| H20 | C10 | C11 | H23 | 41.7° | 60.0° |
| H21 | C10 | C11 | H22 | 162.8° | 60.0° |
| H21 | C10 | C11 | H23 | 77.7° | 180.0° |
| H22 | C11 | C12 | H24 | 127.5° | 180.0° |
| H22 | C11 | C12 | H25 | 8.1° | 60.0° |
| H23 | C11 | C12 | H24 | 113.0° | 60.0° |
| H23 | C11 | C12 | H25 | 127.6° | 179.9° |
| H24 | C12 | C13 | H26 | 23.9° | 179.9° |
| H24 | C12 | C13 | H27 | 95.4° | 60.0° |
| H25 | C12 | C13 | H26 | 143.3° | 60.1° |
| H25 | C12 | C13 | H27 | 24.0° | 180.0° |
| H26 | C13 | C14 | H28 | 82.5° | 180.0° |
| H26 | C13 | C14 | H29 | 158.0° | 60.1° |
| H27 | C13 | C14 | H28 | 158.2° | 60.0° |
| H27 | C13 | C14 | H29 | 38.7° | 180.0° |
| H28 | C14 | C15 | H30 | 104.5° | 180.0° |
| H28 | C14 | C15 | H31 | 14.8° | 60.1° |
| H29 | C14 | C15 | H30 | 15.1° | 60.0° |
| H29 | C14 | C15 | H31 | 134.3° | NaN° |
| H30 | C15 | C16 | H32 | 166.7° | 180.0° |
| H30 | C15 | C16 | H33 | 73.6° | 60.0° |
| H31 | C15 | C16 | H32 | 47.4° | 60.1° |
| H31 | C15 | C16 | H33 | 167.1° | 180.0° |
| H32 | C16 | C17 | H34 | 176.1° | 180.0° |
| H32 | C16 | C17 | H35 | 65.1° | 60.0° |
| H33 | C16 | C17 | H34 | 56.4° | 60.0° |
| H33 | C16 | C17 | H35 | 175.2° | 180.0° |
| H36 | C21 | C22 | H37 | 20.6° | 55.0° |
| H36 | C21 | C22 | H38 | 137.2° | 65.0° |
| H36 | C21 | C66 | H65 | 146.8° | 180.0° |
| H36 | C21 | N20 | H95 | 81.6° | 145.0° |
| H39 | C24 | C25 | H40 | 172.1° | 177.7° |
| H40 | C25 | C26 | H41 | 166.9° | 177.1° |
| H40 | C25 | O65 | H107 | 63.1° | 60.2° |
| H41 | C26 | C27 | H42 | 166.7° | 177.1° |
| H41 | C26 | O64 | H106 | 62.4° | 60.2° |
| H42 | C27 | C28 | H43 | 174.0° | 177.7° |
| H43 | C28 | C30 | H44 | 169.6° | 65.0° |
| H43 | C28 | C30 | H45 | 49.1° | 175.0° |
| H44 | C30 | O31 | H97 | 60.3° | 60.0° |
| H45 | C30 | O31 | H97 | 60.2° | 60.0° |
| H46 | C33 | C34 | H47 | 174.7° | 177.7° |
| H47 | C34 | C35 | H48 | 169.4° | 177.2° |
| H47 | C34 | O63 | H105 | 60.7° | 60.2° |
| H48 | C35 | C36 | H49 | 54.1° | 56.9° |
| H49 | C36 | C37 | H50 | 60.0° | 57.5° |
| H49 | C36 | O41 | H99 | 61.8° | 59.8° |
| H50 | C37 | C39 | H51 | 122.6° | 65.0° |
| H50 | C37 | C39 | H52 | 116.9° | 175.0° |
| H51 | C39 | O40 | H98 | 60.2° | 60.0° |
| H52 | C39 | O40 | H98 | 60.3° | 60.0° |
| H53 | C44 | C45 | H55 | 40.8° | 177.1° |
| H54 | C44 | C45 | H55 | 77.9° | 57.0° |
| H55 | C45 | C46 | H56 | 133.2° | 177.1° |
| H55 | C45 | O59 | H103 | 61.3° | 60.2° |
| H56 | C46 | C47 | H57 | 177.8° | 177.7° |
| H56 | C46 | N55 | H96 | 168.5° | 144.9° |
| H57 | C47 | C49 | H58 | 106.4° | 57.2° |
| H58 | C49 | C50 | H59 | 83.2° | 177.8° |
| H58 | C49 | O54 | H102 | 60.8° | 180.0° |
| H59 | C50 | C51 | H60 | 103.8° | 65.1° |
| H59 | C50 | C51 | H61 | 135.7° | 175.0° |
| H59 | C50 | O53 | H101 | 60.6° | 180.0° |
| H60 | C51 | O52 | H100 | 60.3° | 59.9° |
| H61 | C51 | O52 | H100 | 60.3° | 60.0° |
| H62 | C58 | H63 | H64 | 120.0° | 120.0° |
| H65 | C66 | C67 | H66 | 44.2° | 65.0° |
| H65 | C66 | O82 | H108 | 60.0° | 180.0° |
| H66 | C67 | C68 | H67 | 179.3° | 179.9° |
| H67 | C68 | C69 | H68 | 103.0° | 64.9° |
| H67 | C68 | C69 | H69 | 17.0° | 175.0° |
| H68 | C69 | C70 | H70 | 152.5° | 180.0° |
| H68 | C69 | C70 | H71 | 33.9° | 60.0° |
| H69 | C69 | C70 | H70 | 87.5° | 60.0° |
| H69 | C69 | C70 | H71 | 153.9° | 180.0° |
| H70 | C70 | C71 | H72 | 50.1° | 179.9° |
| H70 | C70 | C71 | H73 | 68.6° | 60.0° |
| H71 | C70 | C71 | H72 | 168.8° | 60.0° |
| H71 | C70 | C71 | H73 | 50.0° | 180.0° |
| H72 | C71 | C72 | H74 | 120.0° | 180.0° |
| H72 | C71 | C72 | H75 | 0.3° | 60.1° |
| H73 | C71 | C72 | H74 | 121.2° | 60.0° |
| H73 | C71 | C72 | H75 | 119.1° | 180.0° |
| H74 | C72 | C73 | H76 | 127.4° | 179.9° |
| H74 | C72 | C73 | H77 | 8.2° | 60.0° |
| H75 | C72 | C73 | H76 | 112.9° | 60.0° |
| H75 | C72 | C73 | H77 | 128.0° | 180.0° |
| H76 | C73 | C74 | H78 | 13.1° | 179.9° |
| H76 | C73 | C74 | H79 | 106.4° | 60.0° |
| H77 | C73 | C74 | H78 | 132.3° | 60.0° |
| H77 | C73 | C74 | H79 | 12.8° | 180.0° |
| H78 | C74 | C75 | H80 | 152.4° | 180.0° |
| H78 | C74 | C75 | H81 | 33.0° | 60.0° |
| H79 | C74 | C75 | H80 | 88.1° | 60.0° |
| H79 | C74 | C75 | H81 | 152.4° | 180.0° |
| H80 | C75 | C76 | H82 | 7.1° | 180.0° |
| H80 | C75 | C76 | H83 | 112.0° | 60.0° |
| H81 | C75 | C76 | H82 | 126.6° | 59.9° |
| H81 | C75 | C76 | H83 | 7.5° | 180.0° |
| H82 | C76 | C77 | H84 | 143.7° | NaN° |
| H82 | C76 | C77 | H85 | 24.1° | 60.0° |
| H83 | C76 | C77 | H84 | 97.2° | 60.0° |
| H83 | C76 | C77 | H85 | 143.1° | 180.0° |
| H84 | C77 | C78 | H86 | 115.4° | 180.0° |
| H84 | C77 | C78 | H87 | 3.9° | 59.9° |
| H85 | C77 | C78 | H86 | 125.0° | 59.9° |
| H85 | C77 | C78 | H87 | 115.7° | 180.0° |
| H86 | C78 | C79 | H88 | 87.5° | 180.0° |
| H86 | C78 | C79 | H89 | 31.9° | 60.0° |
| H87 | C78 | C79 | H88 | 153.3° | 60.0° |
| H87 | C78 | C79 | H89 | 87.4° | 180.0° |
| H88 | C79 | C80 | H90 | 92.4° | 180.0° |
| H88 | C79 | C80 | H91 | 27.0° | 60.0° |
| H89 | C79 | C80 | H90 | 148.2° | 60.0° |
| H89 | C79 | C80 | H91 | 92.4° | 180.0° |
| H90 | C80 | C81 | H92 | 59.7° | 60.0° |
| H90 | C80 | C81 | H93 | 60.3° | 179.9° |
| H90 | C80 | C81 | H94 | 179.7° | 60.0° |
| H91 | C80 | C81 | H92 | 59.7° | 60.0° |
| H91 | C80 | C81 | H93 | 179.7° | 60.0° |
| H91 | C80 | C81 | H94 | 60.3° | NaN° |
| H92 | C81 | H93 | H94 | 120.0° | 120.0° |
