A1D74
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O72 | C71 | doub | 1.21Å | 1.26Å | |
| O77 | C75 | doub | 1.21Å | 1.26Å | |
| C74 | C75 | sing | 1.51Å | 1.53Å | |
| C74 | C70 | sing | 1.53Å | 1.53Å | |
| C71 | O73 | sing | 1.34Å | 1.26Å | |
| C71 | C70 | sing | 1.51Å | 1.53Å | |
| O53 | C51 | doub | 1.21Å | 1.26Å | |
| C75 | O76 | sing | 1.34Å | 1.26Å | |
| C70 | C69 | sing | 1.53Å | 1.53Å | |
| O52 | C51 | sing | 1.34Å | 1.26Å | |
| C51 | C50 | sing | 1.51Å | 1.53Å | |
| O68 | C67 | doub | 1.21Å | 1.18Å | |
| C69 | C67 | sing | 1.51Å | 1.53Å | |
| C50 | C49 | sing | 1.53Å | 1.53Å | |
| C50 | C54 | sing | 1.53Å | 1.53Å | |
| C67 | O66 | sing | 1.34Å | 1.40Å | |
| O57 | C55 | doub | 1.21Å | 1.26Å | |
| C49 | C48 | sing | 1.51Å | 1.53Å | |
| C54 | C55 | sing | 1.51Å | 1.53Å | |
| C55 | O56 | sing | 1.34Å | 1.26Å | |
| C63 | C64 | sing | 1.53Å | 1.53Å | |
| C63 | C62 | sing | 1.53Å | 1.53Å | |
| O66 | C59 | sing | 1.45Å | 1.40Å | |
| O58 | C48 | doub | 1.21Å | 1.19Å | |
| C61 | C62 | sing | 1.53Å | 1.53Å | |
| C61 | C60 | sing | 1.53Å | 1.53Å | |
| C48 | O47 | sing | 1.34Å | 1.40Å | |
| C59 | C60 | sing | 1.53Å | 1.53Å | |
| C59 | C46 | sing | 1.53Å | 1.53Å | |
| C60 | C65 | sing | 1.53Å | 1.53Å | |
| O47 | C46 | sing | 1.45Å | 1.40Å | |
| C46 | C45 | sing | 1.53Å | 1.53Å | |
| C45 | C43 | sing | 1.53Å | 1.53Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C43 | C42 | sing | 1.53Å | 1.53Å | |
| O41 | C40 | sing | 1.43Å | 1.40Å | |
| C42 | C40 | sing | 1.53Å | 1.53Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C34 | O35 | sing | 1.43Å | 1.40Å | |
| C33 | C31 | sing | 1.53Å | 1.53Å | |
| O32 | C31 | sing | 1.43Å | 1.40Å | |
| C31 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | N28 | sing | 1.47Å | 1.45Å | |
| N28 | C26 | sing | 1.35Å | 1.45Å | |
| C26 | O27 | doub | 1.21Å | 1.19Å | |
| C26 | C25 | sing | 1.51Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C01 | H17 | sing | 1.09Å | 1.10Å | |
| C01 | H18 | sing | 1.09Å | 1.10Å | |
| C01 | H19 | sing | 1.09Å | 1.10Å | |
| C02 | H20 | sing | 1.09Å | 1.10Å | |
| C02 | H21 | sing | 1.09Å | 1.10Å | |
| C03 | H22 | sing | 1.09Å | 1.10Å | |
| C03 | H23 | sing | 1.09Å | 1.10Å | |
| C04 | H24 | sing | 1.09Å | 1.10Å | |
| C04 | H25 | sing | 1.09Å | 1.10Å | |
| C05 | H26 | sing | 1.09Å | 1.10Å | |
| C05 | H27 | sing | 1.09Å | 1.10Å | |
| C06 | H28 | sing | 1.09Å | 1.10Å | |
| C06 | H29 | sing | 1.09Å | 1.10Å | |
| C07 | H30 | sing | 1.09Å | 1.10Å | |
| C07 | H31 | sing | 1.09Å | 1.10Å | |
| C08 | H32 | sing | 1.09Å | 1.10Å | |
| C08 | H33 | sing | 1.09Å | 1.10Å | |
| C09 | H34 | sing | 1.09Å | 1.10Å | |
| C09 | H35 | sing | 1.09Å | 1.10Å | |
| C11 | H36 | sing | 1.09Å | 1.10Å | |
| C11 | H37 | sing | 1.09Å | 1.10Å | |
| C12 | H38 | sing | 1.09Å | 1.10Å | |
| C12 | H39 | sing | 1.09Å | 1.10Å | |
| C14 | H40 | sing | 1.09Å | 1.10Å | |
| C14 | H41 | sing | 1.09Å | 1.10Å | |
| C16 | H42 | sing | 1.09Å | 1.10Å | |
| C16 | H43 | sing | 1.09Å | 1.10Å | |
| C18 | H44 | sing | 1.09Å | 1.10Å | |
| C18 | H45 | sing | 1.09Å | 1.10Å | |
| C19 | H46 | sing | 1.09Å | 1.10Å | |
| C19 | H47 | sing | 1.09Å | 1.10Å | |
| C23 | H48 | sing | 1.09Å | 1.10Å | |
| C23 | H49 | sing | 1.09Å | 1.10Å | |
| C25 | H50 | sing | 1.09Å | 1.10Å | |
| C25 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| C30 | H55 | sing | 1.09Å | 1.10Å | |
| C31 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C36 | H60 | sing | 1.09Å | 1.10Å | |
| C36 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | H62 | sing | 1.09Å | 1.10Å | |
| C37 | H63 | sing | 1.09Å | 1.10Å | |
| C38 | H64 | sing | 1.09Å | 1.10Å | |
| C38 | H65 | sing | 1.09Å | 1.10Å | |
| C39 | H66 | sing | 1.09Å | 1.10Å | |
| C39 | H67 | sing | 1.09Å | 1.10Å | |
| C40 | H68 | sing | 1.09Å | 1.10Å | |
| C42 | H69 | sing | 1.09Å | 1.10Å | |
| C42 | H70 | sing | 1.09Å | 1.10Å | |
| C43 | H71 | sing | 1.09Å | 1.10Å | |
| C44 | H72 | sing | 1.09Å | 1.10Å | |
| C44 | H73 | sing | 1.09Å | 1.10Å | |
| C44 | H74 | sing | 1.09Å | 1.10Å | |
| C45 | H75 | sing | 1.09Å | 1.10Å | |
| C45 | H76 | sing | 1.09Å | 1.10Å | |
| C46 | H77 | sing | 1.09Å | 1.10Å | |
| C49 | H78 | sing | 1.09Å | 1.10Å | |
| C49 | H79 | sing | 1.09Å | 1.10Å | |
| C50 | H80 | sing | 1.09Å | 1.10Å | |
| C54 | H81 | sing | 1.09Å | 1.10Å | |
| C54 | H82 | sing | 1.09Å | 1.10Å | |
| C59 | H83 | sing | 1.09Å | 1.10Å | |
| C60 | H84 | sing | 1.09Å | 1.10Å | |
| C61 | H85 | sing | 1.09Å | 1.10Å | |
| C61 | H86 | sing | 1.09Å | 1.10Å | |
| C62 | H87 | sing | 1.09Å | 1.10Å | |
| C62 | H88 | sing | 1.09Å | 1.10Å | |
| C63 | H89 | sing | 1.09Å | 1.10Å | |
| C63 | H90 | sing | 1.09Å | 1.10Å | |
| C64 | H91 | sing | 1.09Å | 1.10Å | |
| C64 | H92 | sing | 1.09Å | 1.10Å | |
| C64 | H93 | sing | 1.09Å | 1.10Å | |
| C65 | H94 | sing | 1.09Å | 1.10Å | |
| C65 | H95 | sing | 1.09Å | 1.10Å | |
| C65 | H96 | sing | 1.09Å | 1.10Å | |
| C69 | H97 | sing | 1.09Å | 1.10Å | |
| C69 | H98 | sing | 1.09Å | 1.10Å | |
| C70 | H99 | sing | 1.09Å | 1.10Å | |
| C74 | H100 | sing | 1.09Å | 1.10Å | |
| C74 | H101 | sing | 1.09Å | 1.10Å | |
| N28 | H102 | sing | 0.97Å | 1.00Å | |
| O32 | H103 | sing | 0.97Å | 0.95Å | |
| O35 | H104 | sing | 0.97Å | 0.95Å | |
| O41 | H105 | sing | 0.97Å | 0.95Å | |
| O52 | H106 | sing | 0.97Å | 0.95Å | |
| O56 | H107 | sing | 0.97Å | 0.95Å | |
| O73 | H108 | sing | 0.97Å | 0.95Å | |
| O76 | H109 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O72 | C71 | O73 | 120.0° | 120.0° |
| O72 | C71 | C70 | 120.0° | 120.0° |
| O77 | C75 | C74 | 120.0° | 120.0° |
| O77 | C75 | O76 | 120.0° | 120.0° |
| C75 | C74 | C70 | 112.2° | 109.4° |
| C74 | C75 | O76 | 120.0° | 120.0° |
| C75 | C74 | H100 | 108.8° | 109.5° |
| C75 | C74 | H101 | 108.8° | 109.4° |
| C74 | C70 | C71 | 109.5° | 109.5° |
| C74 | C70 | C69 | 109.4° | 109.4° |
| C74 | C70 | H99 | 109.5° | 109.5° |
| C70 | C74 | H100 | 108.8° | 109.5° |
| C70 | C74 | H101 | 108.8° | 109.5° |
| O73 | C71 | C70 | 120.0° | 120.0° |
| C71 | O73 | H108 | 109.5° | 117.0° |
| C71 | C70 | C69 | 109.5° | 109.4° |
| C71 | C70 | H99 | 109.5° | 109.5° |
| O53 | C51 | O52 | 120.0° | 120.0° |
| O53 | C51 | C50 | 120.1° | 120.0° |
| C75 | O76 | H109 | 109.5° | 117.0° |
| C70 | C69 | C67 | 112.3° | 109.5° |
| C70 | C69 | H97 | 108.8° | 109.5° |
| C70 | C69 | H98 | 108.7° | 109.5° |
| C69 | C70 | H99 | 109.5° | 109.5° |
| O52 | C51 | C50 | 119.9° | 120.0° |
| C51 | O52 | H106 | 109.5° | 117.0° |
| C51 | C50 | C49 | 109.4° | 109.5° |
| C51 | C50 | C54 | 109.5° | 109.5° |
| C51 | C50 | H80 | 109.5° | 109.5° |
| O68 | C67 | C69 | 120.0° | 120.0° |
| O68 | C67 | O66 | 120.1° | 120.1° |
| C69 | C67 | O66 | 120.0° | 120.0° |
| C67 | C69 | H97 | 108.7° | 109.5° |
| C67 | C69 | H98 | 108.8° | 109.5° |
| C49 | C50 | C54 | 109.5° | 109.5° |
| C50 | C49 | C48 | 112.4° | 109.5° |
| C50 | C49 | H78 | 108.7° | 109.5° |
| C50 | C49 | H79 | 108.7° | 109.5° |
| C49 | C50 | H80 | 109.5° | 109.4° |
| C50 | C54 | C55 | 112.4° | 109.4° |
| C54 | C50 | H80 | 109.5° | 109.5° |
| C50 | C54 | H81 | 108.7° | 109.5° |
| C50 | C54 | H82 | 108.7° | 109.4° |
| C67 | O66 | C59 | 114.0° | 117.0° |
| O57 | C55 | C54 | 120.0° | 120.0° |
| O57 | C55 | O56 | 120.0° | 120.0° |
| C49 | C48 | O58 | 120.0° | 120.0° |
| C49 | C48 | O47 | 120.0° | 120.0° |
| C48 | C49 | H78 | 108.7° | 109.5° |
| C48 | C49 | H79 | 108.7° | 109.5° |
| C54 | C55 | O56 | 120.0° | 119.9° |
| C55 | C54 | H81 | 108.7° | 109.5° |
| C55 | C54 | H82 | 108.7° | 109.5° |
| C55 | O56 | H107 | 109.5° | 117.0° |
| C64 | C63 | C62 | 112.3° | 109.5° |
| C64 | C63 | H89 | 108.7° | 109.5° |
| C64 | C63 | H90 | 108.7° | 109.4° |
| C63 | C64 | H91 | 109.5° | 109.5° |
| C63 | C64 | H92 | 109.5° | 109.5° |
| C63 | C64 | H93 | 109.5° | 109.5° |
| C63 | C62 | C61 | 112.3° | 109.5° |
| C63 | C62 | H87 | 108.8° | 109.5° |
| C63 | C62 | H88 | 108.8° | 109.5° |
| C62 | C63 | H89 | 108.8° | 109.5° |
| C62 | C63 | H90 | 108.8° | 109.5° |
| O66 | C59 | C60 | 109.4° | 109.5° |
| O66 | C59 | C46 | 109.3° | 109.5° |
| O66 | C59 | H83 | 110.8° | 109.5° |
| O58 | C48 | O47 | 120.0° | 120.0° |
| C62 | C61 | C60 | 112.2° | 109.5° |
| C62 | C61 | H85 | 108.8° | 109.4° |
| C62 | C61 | H86 | 108.7° | 109.5° |
| C61 | C62 | H87 | 108.8° | 109.5° |
| C61 | C62 | H88 | 108.8° | 109.5° |
| C61 | C60 | C59 | 109.6° | 109.5° |
| C61 | C60 | C65 | 109.4° | 109.5° |
| C61 | C60 | H84 | 109.5° | 109.5° |
| C60 | C61 | H85 | 108.8° | 109.5° |
| C60 | C61 | H86 | 108.8° | 109.5° |
| C48 | O47 | C46 | 114.1° | 117.0° |
| C60 | C59 | C46 | 109.4° | 109.4° |
| C59 | C60 | C65 | 109.5° | 109.4° |
| C60 | C59 | H83 | 109.0° | 109.5° |
| C59 | C60 | H84 | 109.4° | 109.5° |
| C59 | C46 | O47 | 109.6° | 109.5° |
| C59 | C46 | C45 | 109.3° | 109.4° |
| C59 | C46 | H77 | 108.8° | 109.5° |
| C46 | C59 | H83 | 109.0° | 109.4° |
| C65 | C60 | H84 | 109.4° | 109.4° |
| C60 | C65 | H94 | 109.5° | 109.5° |
| C60 | C65 | H95 | 109.4° | 109.5° |
| C60 | C65 | H96 | 109.4° | 109.5° |
| O47 | C46 | C45 | 109.7° | 109.4° |
| O47 | C46 | H77 | 110.6° | 109.5° |
| C46 | C45 | C43 | 112.5° | 109.4° |
| C46 | C45 | H75 | 108.7° | 109.5° |
| C46 | C45 | H76 | 108.7° | 109.5° |
| C45 | C46 | H77 | 108.8° | 109.5° |
| C45 | C43 | C44 | 109.4° | 109.5° |
| C45 | C43 | C42 | 109.5° | 109.5° |
| C45 | C43 | H71 | 109.5° | 109.5° |
| C43 | C45 | H75 | 108.7° | 109.4° |
| C43 | C45 | H76 | 108.7° | 109.5° |
| C44 | C43 | C42 | 109.5° | 109.5° |
| C44 | C43 | H71 | 109.5° | 109.5° |
| C43 | C44 | H72 | 109.5° | 109.5° |
| C43 | C44 | H73 | 109.5° | 109.4° |
| C43 | C44 | H74 | 109.5° | 109.5° |
| C43 | C42 | C40 | 112.1° | 109.5° |
| C43 | C42 | H69 | 108.8° | 109.5° |
| C43 | C42 | H70 | 108.8° | 109.5° |
| C42 | C43 | H71 | 109.5° | 109.5° |
| O41 | C40 | C42 | 109.4° | 109.5° |
| O41 | C40 | C39 | 109.4° | 109.5° |
| O41 | C40 | H68 | 110.7° | 109.5° |
| C40 | O41 | H105 | 109.5° | 114.0° |
| C42 | C40 | C39 | 109.6° | 109.5° |
| C42 | C40 | H68 | 108.9° | 109.5° |
| C40 | C42 | H69 | 108.8° | 109.5° |
| C40 | C42 | H70 | 108.8° | 109.4° |
| C40 | C39 | C38 | 112.2° | 109.5° |
| C40 | C39 | H66 | 108.8° | 109.5° |
| C40 | C39 | H67 | 108.8° | 109.5° |
| C39 | C40 | H68 | 108.9° | 109.5° |
| C39 | C38 | C37 | 112.3° | 109.5° |
| C39 | C38 | H64 | 108.7° | 109.5° |
| C39 | C38 | H65 | 108.8° | 109.5° |
| C38 | C39 | H66 | 108.8° | 109.4° |
| C38 | C39 | H67 | 108.8° | 109.4° |
| C38 | C37 | C36 | 112.3° | 109.5° |
| C38 | C37 | H62 | 108.8° | 109.4° |
| C38 | C37 | H63 | 108.8° | 109.5° |
| C37 | C38 | H64 | 108.7° | 109.5° |
| C37 | C38 | H65 | 108.7° | 109.5° |
| C37 | C36 | C34 | 112.2° | 109.5° |
| C37 | C36 | H60 | 108.8° | 109.5° |
| C37 | C36 | H61 | 108.8° | 109.5° |
| C36 | C37 | H62 | 108.8° | 109.4° |
| C36 | C37 | H63 | 108.8° | 109.5° |
| C36 | C34 | C33 | 109.5° | 109.5° |
| C36 | C34 | O35 | 109.4° | 109.5° |
| C36 | C34 | H59 | 108.9° | 109.4° |
| C34 | C36 | H60 | 108.8° | 109.4° |
| C34 | C36 | H61 | 108.8° | 109.5° |
| C33 | C34 | O35 | 109.4° | 109.5° |
| C34 | C33 | C31 | 112.3° | 109.5° |
| C34 | C33 | H57 | 108.8° | 109.4° |
| C34 | C33 | H58 | 108.7° | 109.5° |
| C33 | C34 | H59 | 108.9° | 109.5° |
| O35 | C34 | H59 | 110.7° | 109.5° |
| C34 | O35 | H104 | 109.5° | 114.0° |
| C33 | C31 | O32 | 109.5° | 109.4° |
| C33 | C31 | C29 | 109.5° | 109.5° |
| C33 | C31 | H56 | 108.9° | 109.5° |
| C31 | C33 | H57 | 108.7° | 109.5° |
| C31 | C33 | H58 | 108.8° | 109.5° |
| O32 | C31 | C29 | 109.5° | 109.5° |
| O32 | C31 | H56 | 110.7° | 109.5° |
| C31 | O32 | H103 | 109.5° | 114.0° |
| C31 | C29 | C30 | 109.5° | 109.5° |
| C31 | C29 | N28 | 109.5° | 109.5° |
| C31 | C29 | H52 | 109.1° | 109.5° |
| C29 | C31 | H56 | 108.9° | 109.5° |
| C30 | C29 | N28 | 109.4° | 109.5° |
| C30 | C29 | H52 | 109.1° | 109.5° |
| C29 | C30 | H53 | 109.5° | 109.5° |
| C29 | C30 | H54 | 109.5° | 109.5° |
| C29 | C30 | H55 | 109.4° | 109.4° |
| C29 | N28 | C26 | 120.0° | 120.0° |
| N28 | C29 | H52 | 110.1° | 109.4° |
| C29 | N28 | H102 | 120.0° | 120.0° |
| N28 | C26 | O27 | 120.0° | 120.0° |
| N28 | C26 | C25 | 120.1° | 120.0° |
| C26 | N28 | H102 | 120.0° | 120.0° |
| O27 | C26 | C25 | 119.9° | 120.0° |
| C26 | C25 | C24 | 112.4° | 109.5° |
| C26 | C25 | H50 | 108.7° | 109.5° |
| C26 | C25 | H51 | 108.7° | 109.5° |
| C25 | C24 | C23 | 112.4° | 109.5° |
| C25 | C24 | H15 | 108.8° | 109.4° |
| C25 | C24 | H16 | 108.7° | 109.4° |
| C24 | C25 | H50 | 108.7° | 109.5° |
| C24 | C25 | H51 | 108.8° | 109.4° |
| C24 | C23 | C22 | 112.3° | 109.4° |
| C23 | C24 | H15 | 108.7° | 109.5° |
| C23 | C24 | H16 | 108.8° | 109.5° |
| C24 | C23 | H48 | 108.8° | 109.5° |
| C24 | C23 | H49 | 108.8° | 109.4° |
| C23 | C22 | C21 | 112.2° | 109.4° |
| C23 | C22 | H13 | 108.8° | 109.5° |
| C23 | C22 | H14 | 108.8° | 109.5° |
| C22 | C23 | H48 | 108.7° | 109.5° |
| C22 | C23 | H49 | 108.8° | 109.5° |
| C22 | C21 | C20 | 112.3° | 109.4° |
| C22 | C21 | H11 | 108.8° | 109.5° |
| C22 | C21 | H12 | 108.7° | 109.5° |
| C21 | C22 | H13 | 108.8° | 109.5° |
| C21 | C22 | H14 | 108.8° | 109.5° |
| C21 | C20 | C19 | 112.3° | 109.4° |
| C21 | C20 | H9 | 108.8° | 109.5° |
| C21 | C20 | H10 | 108.8° | 109.5° |
| C20 | C21 | H11 | 108.8° | 109.5° |
| C20 | C21 | H12 | 108.8° | 109.5° |
| C20 | C19 | C18 | 112.3° | 109.5° |
| C19 | C20 | H9 | 108.8° | 109.4° |
| C19 | C20 | H10 | 108.8° | 109.5° |
| C20 | C19 | H46 | 108.8° | 109.5° |
| C20 | C19 | H47 | 108.8° | 109.5° |
| C19 | C18 | C17 | 112.3° | 109.5° |
| C19 | C18 | H44 | 108.8° | 109.5° |
| C19 | C18 | H45 | 108.7° | 109.5° |
| C18 | C19 | H46 | 108.8° | 109.5° |
| C18 | C19 | H47 | 108.8° | 109.4° |
| C18 | C17 | C16 | 112.3° | 109.5° |
| C18 | C17 | H7 | 108.8° | 109.4° |
| C18 | C17 | H8 | 108.8° | 109.5° |
| C17 | C18 | H44 | 108.7° | 109.4° |
| C17 | C18 | H45 | 108.8° | 109.5° |
| C17 | C16 | C15 | 112.3° | 109.5° |
| C16 | C17 | H7 | 108.8° | 109.5° |
| C16 | C17 | H8 | 108.7° | 109.5° |
| C17 | C16 | H42 | 108.8° | 109.5° |
| C17 | C16 | H43 | 108.8° | 109.5° |
| C16 | C15 | C14 | 112.2° | 109.5° |
| C16 | C15 | H5 | 108.8° | 109.5° |
| C16 | C15 | H6 | 108.8° | 109.5° |
| C15 | C16 | H42 | 108.8° | 109.5° |
| C15 | C16 | H43 | 108.8° | 109.5° |
| C15 | C14 | C13 | 112.2° | 109.5° |
| C14 | C15 | H5 | 108.8° | 109.4° |
| C14 | C15 | H6 | 108.8° | 109.4° |
| C15 | C14 | H40 | 108.8° | 109.5° |
| C15 | C14 | H41 | 108.8° | 109.4° |
| C14 | C13 | C12 | 112.3° | 109.4° |
| C14 | C13 | H3 | 108.7° | 109.5° |
| C14 | C13 | H4 | 108.8° | 109.4° |
| C13 | C14 | H40 | 108.8° | 109.5° |
| C13 | C14 | H41 | 108.8° | 109.5° |
| C13 | C12 | C11 | 112.2° | 109.4° |
| C12 | C13 | H3 | 108.8° | 109.5° |
| C12 | C13 | H4 | 108.7° | 109.5° |
| C13 | C12 | H38 | 108.8° | 109.5° |
| C13 | C12 | H39 | 108.8° | 109.5° |
| C12 | C11 | C10 | 112.3° | 109.4° |
| C12 | C11 | H36 | 108.7° | 109.5° |
| C12 | C11 | H37 | 108.7° | 109.5° |
| C11 | C12 | H38 | 108.8° | 109.5° |
| C11 | C12 | H39 | 108.8° | 109.5° |
| C11 | C10 | C09 | 112.3° | 109.5° |
| C11 | C10 | H1 | 108.8° | 109.5° |
| C11 | C10 | H2 | 108.8° | 109.5° |
| C10 | C11 | H36 | 108.8° | 109.5° |
| C10 | C11 | H37 | 108.7° | 109.5° |
| C08 | C09 | C10 | 112.3° | 109.5° |
| C09 | C08 | C07 | 112.3° | 109.5° |
| C09 | C08 | H32 | 108.8° | 109.5° |
| C09 | C08 | H33 | 108.8° | 109.5° |
| C08 | C09 | H34 | 108.8° | 109.5° |
| C08 | C09 | H35 | 108.7° | 109.5° |
| C09 | C10 | H1 | 108.8° | 109.5° |
| C09 | C10 | H2 | 108.8° | 109.4° |
| C10 | C09 | H34 | 108.7° | 109.4° |
| C10 | C09 | H35 | 108.8° | 109.5° |
| C08 | C07 | C06 | 112.2° | 109.5° |
| C08 | C07 | H30 | 108.8° | 109.4° |
| C08 | C07 | H31 | 108.8° | 109.5° |
| C07 | C08 | H32 | 108.8° | 109.4° |
| C07 | C08 | H33 | 108.8° | 109.5° |
| C07 | C06 | C05 | 112.3° | 109.5° |
| C07 | C06 | H28 | 108.8° | 109.5° |
| C07 | C06 | H29 | 108.8° | 109.5° |
| C06 | C07 | H30 | 108.8° | 109.5° |
| C06 | C07 | H31 | 108.8° | 109.5° |
| C06 | C05 | C04 | 112.3° | 109.5° |
| C06 | C05 | H26 | 108.8° | 109.5° |
| C06 | C05 | H27 | 108.8° | 109.5° |
| C05 | C06 | H28 | 108.8° | 109.4° |
| C05 | C06 | H29 | 108.8° | 109.5° |
| C05 | C04 | C03 | 112.3° | 109.5° |
| C05 | C04 | H24 | 108.7° | 109.4° |
| C05 | C04 | H25 | 108.7° | 109.4° |
| C04 | C05 | H26 | 108.8° | 109.4° |
| C04 | C05 | H27 | 108.7° | 109.5° |
| C04 | C03 | C02 | 112.2° | 109.4° |
| C04 | C03 | H22 | 108.8° | 109.5° |
| C04 | C03 | H23 | 108.8° | 109.4° |
| C03 | C04 | H24 | 108.8° | 109.5° |
| C03 | C04 | H25 | 108.8° | 109.5° |
| C03 | C02 | C01 | 112.2° | 109.4° |
| C03 | C02 | H20 | 108.8° | 109.5° |
| C03 | C02 | H21 | 108.8° | 109.5° |
| C02 | C03 | H22 | 108.8° | 109.5° |
| C02 | C03 | H23 | 108.8° | 109.5° |
| C02 | C01 | H17 | 109.5° | 109.5° |
| C02 | C01 | H18 | 109.5° | 109.5° |
| C02 | C01 | H19 | 109.4° | 109.4° |
| C01 | C02 | H20 | 108.8° | 109.5° |
| C01 | C02 | H21 | 108.8° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H7 | C17 | H8 | 109.5° | 109.4° |
| H9 | C20 | H10 | 109.4° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.5° |
| H15 | C24 | H16 | 109.4° | 109.5° |
| H17 | C01 | H18 | 109.5° | 109.5° |
| H17 | C01 | H19 | 109.5° | 109.5° |
| H18 | C01 | H19 | 109.4° | 109.5° |
| H20 | C02 | H21 | 109.5° | 109.5° |
| H22 | C03 | H23 | 109.5° | 109.5° |
| H24 | C04 | H25 | 109.5° | 109.5° |
| H26 | C05 | H27 | 109.5° | 109.4° |
| H28 | C06 | H29 | 109.5° | 109.4° |
| H30 | C07 | H31 | 109.5° | 109.4° |
| H32 | C08 | H33 | 109.5° | 109.5° |
| H34 | C09 | H35 | 109.5° | 109.5° |
| H36 | C11 | H37 | 109.5° | 109.5° |
| H38 | C12 | H39 | 109.5° | 109.5° |
| H40 | C14 | H41 | 109.5° | 109.5° |
| H42 | C16 | H43 | 109.4° | 109.4° |
| H44 | C18 | H45 | 109.5° | 109.5° |
| H46 | C19 | H47 | 109.4° | 109.4° |
| H48 | C23 | H49 | 109.5° | 109.5° |
| H50 | C25 | H51 | 109.5° | 109.5° |
| H53 | C30 | H54 | 109.5° | 109.5° |
| H53 | C30 | H55 | 109.5° | 109.5° |
| H54 | C30 | H55 | 109.5° | 109.5° |
| H57 | C33 | H58 | 109.5° | 109.5° |
| H60 | C36 | H61 | 109.5° | 109.5° |
| H62 | C37 | H63 | 109.5° | 109.5° |
| H64 | C38 | H65 | 109.5° | 109.4° |
| H66 | C39 | H67 | 109.5° | 109.5° |
| H69 | C42 | H70 | 109.5° | 109.5° |
| H72 | C44 | H73 | 109.5° | 109.4° |
| H72 | C44 | H74 | 109.4° | 109.5° |
| H73 | C44 | H74 | 109.5° | 109.5° |
| H75 | C45 | H76 | 109.5° | 109.4° |
| H78 | C49 | H79 | 109.5° | 109.4° |
| H81 | C54 | H82 | 109.5° | 109.5° |
| H85 | C61 | H86 | 109.5° | 109.5° |
| H87 | C62 | H88 | 109.4° | 109.5° |
| H89 | C63 | H90 | 109.5° | 109.4° |
| H91 | C64 | H92 | 109.4° | 109.5° |
| H91 | C64 | H93 | 109.5° | 109.5° |
| H92 | C64 | H93 | 109.5° | 109.4° |
| H94 | C65 | H95 | 109.5° | 109.4° |
| H94 | C65 | H96 | 109.5° | 109.5° |
| H95 | C65 | H96 | 109.5° | 109.4° |
| H97 | C69 | H98 | 109.5° | 109.5° |
| H100 | C74 | H101 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O72 | C71 | C70 | C74 | 120.3° | 119.9° |
| O72 | C71 | O73 | C70 | 179.9° | 179.9° |
| O72 | C71 | C70 | C69 | 119.8° | 0.1° |
| O72 | C71 | C70 | H99 | 0.3° | 120.0° |
| O72 | C71 | O73 | H108 | 0.0° | 0.1° |
| O77 | C75 | C74 | O76 | 180.0° | 180.0° |
| O77 | C75 | C74 | C70 | 145.9° | 0.0° |
| O77 | C75 | C74 | H100 | 93.7° | 120.0° |
| O77 | C75 | C74 | H101 | 25.5° | 120.0° |
| O77 | C75 | O76 | H109 | 0.0° | 0.0° |
| C75 | C74 | C70 | H100 | 120.4° | 120.0° |
| C75 | C74 | C70 | H101 | 120.4° | 119.9° |
| C75 | C74 | C70 | C71 | 55.2° | 65.0° |
| C75 | C74 | C70 | C69 | 64.7° | 175.0° |
| C75 | C74 | C70 | H99 | 175.3° | 55.0° |
| C75 | C74 | H100 | H101 | 118.8° | 120.0° |
| C74 | C75 | O76 | H109 | 180.0° | 180.0° |
| C74 | C70 | C71 | O73 | 59.6° | 60.0° |
| C74 | C70 | C71 | C69 | 119.9° | 120.0° |
| C74 | C70 | C71 | H99 | 120.0° | 120.1° |
| C70 | C74 | C75 | O76 | 34.1° | 180.0° |
| C74 | C70 | C69 | H99 | 120.0° | 120.0° |
| C74 | C70 | C69 | C67 | 146.1° | 173.4° |
| C74 | C70 | C69 | H97 | 93.5° | 53.4° |
| C74 | C70 | C69 | H98 | 25.6° | 66.6° |
| C70 | C74 | H100 | H101 | 118.7° | 120.1° |
| O73 | C71 | C70 | C69 | 60.3° | 180.0° |
| O73 | C71 | C70 | H99 | 179.7° | 60.1° |
| C71 | C70 | C69 | H99 | 120.1° | 120.0° |
| C71 | C70 | C69 | C67 | 94.0° | 66.6° |
| C71 | C70 | C69 | H97 | 26.4° | 173.4° |
| C71 | C70 | C69 | H98 | 145.6° | 53.4° |
| C71 | C70 | C74 | H100 | 175.6° | 175.0° |
| C71 | C70 | C74 | H101 | 65.2° | 54.9° |
| C70 | C71 | O73 | H108 | 179.9° | 180.0° |
| O53 | C51 | O52 | C50 | 179.9° | 180.0° |
| O53 | C51 | C50 | C49 | 69.5° | 0.0° |
| O53 | C51 | C50 | C54 | 170.5° | 120.0° |
| O53 | C51 | C50 | H80 | 50.4° | 120.0° |
| O53 | C51 | O52 | H106 | 0.0° | 0.0° |
| O76 | C75 | C74 | H100 | 86.3° | 60.0° |
| O76 | C75 | C74 | H101 | 154.5° | 60.0° |
| C70 | C69 | C67 | O68 | 21.9° | 6.0° |
| C70 | C69 | C67 | H97 | 120.4° | 120.0° |
| C70 | C69 | C67 | H98 | 120.4° | 120.0° |
| C70 | C69 | C67 | O66 | 158.1° | 174.1° |
| C70 | C69 | H97 | H98 | 118.7° | 120.0° |
| C69 | C70 | C74 | H100 | 55.7° | 55.0° |
| C69 | C70 | C74 | H101 | 174.9° | 65.1° |
| O52 | C51 | C50 | C49 | 110.5° | 180.0° |
| O52 | C51 | C50 | C54 | 9.5° | 60.0° |
| O52 | C51 | C50 | H80 | 129.5° | 60.0° |
| C51 | C50 | C49 | C54 | 120.0° | 120.0° |
| C51 | C50 | C49 | H80 | 120.0° | 120.0° |
| C51 | C50 | C54 | H80 | 120.0° | 120.0° |
| C51 | C50 | C49 | C48 | 161.3° | 65.0° |
| C51 | C50 | C54 | C55 | 114.9° | 65.0° |
| C51 | C50 | C49 | H78 | 40.8° | 175.0° |
| C51 | C50 | C49 | H79 | 78.3° | 55.0° |
| C51 | C50 | C54 | H81 | 124.7° | 175.0° |
| C51 | C50 | C54 | H82 | 5.6° | 55.0° |
| C50 | C51 | O52 | H106 | 180.0° | 179.9° |
| O68 | C67 | C69 | O66 | 180.0° | 180.0° |
| O68 | C67 | O66 | C59 | 72.4° | 5.1° |
| O68 | C67 | C69 | H97 | 142.3° | 114.0° |
| O68 | C67 | C69 | H98 | 98.5° | 125.9° |
| C69 | C67 | O66 | C59 | 107.6° | 174.9° |
| C67 | C69 | H97 | H98 | 118.7° | 120.0° |
| C67 | C69 | C70 | H99 | 26.1° | 53.4° |
| C49 | C50 | C54 | H80 | 120.0° | 119.9° |
| C50 | C49 | C48 | H78 | 120.4° | 120.0° |
| C50 | C49 | C48 | H79 | 120.5° | 120.1° |
| C49 | C50 | C54 | C55 | 125.2° | 175.0° |
| C50 | C49 | C48 | O58 | 46.2° | 4.8° |
| C50 | C49 | C48 | O47 | 133.8° | 175.2° |
| C50 | C49 | H78 | H79 | 118.7° | 120.0° |
| C49 | C50 | C54 | H81 | 4.8° | 55.0° |
| C49 | C50 | C54 | H82 | 114.4° | 65.1° |
| C50 | C54 | C55 | O57 | 108.3° | 0.0° |
| C54 | C50 | C49 | C48 | 78.7° | 175.0° |
| C50 | C54 | C55 | H81 | 120.4° | 120.1° |
| C50 | C54 | C55 | H82 | 120.5° | 119.9° |
| C50 | C54 | C55 | O56 | 71.8° | 180.0° |
| C54 | C50 | C49 | H78 | 160.8° | 54.9° |
| C54 | C50 | C49 | H79 | 41.7° | 65.0° |
| C50 | C54 | H81 | H82 | 118.7° | 120.0° |
| C67 | O66 | C59 | C60 | 82.3° | 85.1° |
| C67 | O66 | C59 | C46 | 158.0° | 154.9° |
| C67 | O66 | C59 | H83 | 37.9° | 34.9° |
| O66 | C67 | C69 | H97 | 37.6° | 65.9° |
| O66 | C67 | C69 | H98 | 81.5° | 54.1° |
| O57 | C55 | C54 | O56 | 180.0° | 180.0° |
| O57 | C55 | C54 | H81 | 131.3° | 120.0° |
| O57 | C55 | C54 | H82 | 12.2° | 119.9° |
| O57 | C55 | O56 | H107 | 0.0° | 0.0° |
| C49 | C48 | O58 | O47 | 180.0° | 180.0° |
| C49 | C48 | O47 | C46 | 114.3° | 174.1° |
| C48 | C49 | H78 | H79 | 118.6° | 120.0° |
| C48 | C49 | C50 | H80 | 41.3° | 55.0° |
| C55 | C54 | C50 | H80 | 5.2° | 55.1° |
| C55 | C54 | H81 | H82 | 118.6° | 120.0° |
| C54 | C55 | O56 | H107 | 179.9° | 180.0° |
| O56 | C55 | C54 | H81 | 48.7° | 60.0° |
| O56 | C55 | C54 | H82 | 167.8° | 60.1° |
| C64 | C63 | C62 | H89 | 120.4° | 120.1° |
| C64 | C63 | C62 | H90 | 120.4° | 120.0° |
| C64 | C63 | C62 | C61 | 156.1° | 174.9° |
| C64 | C63 | C62 | H87 | 35.6° | 65.0° |
| C64 | C63 | C62 | H88 | 83.5° | 55.0° |
| C64 | C63 | H89 | H90 | 118.7° | 120.0° |
| C63 | C64 | H91 | H92 | 120.0° | 120.0° |
| C63 | C64 | H91 | H93 | 120.0° | 120.0° |
| C63 | C64 | H92 | H93 | 120.0° | 120.0° |
| C63 | C62 | C61 | H87 | 120.4° | 120.0° |
| C63 | C62 | C61 | H88 | 120.4° | 120.0° |
| C63 | C62 | C61 | C60 | 142.2° | 174.1° |
| C63 | C62 | C61 | H85 | 97.4° | 65.9° |
| C63 | C62 | C61 | H86 | 21.7° | 54.1° |
| C63 | C62 | H87 | H88 | 118.7° | 120.0° |
| C62 | C63 | H89 | H90 | 118.7° | 120.0° |
| C62 | C63 | C64 | H91 | 180.0° | 65.0° |
| C62 | C63 | C64 | H92 | 60.0° | 55.1° |
| C62 | C63 | C64 | H93 | 60.0° | 175.0° |
| O66 | C59 | C60 | C61 | 72.6° | 172.6° |
| O66 | C59 | C60 | C46 | 119.7° | 120.0° |
| O66 | C59 | C60 | H83 | 121.3° | 120.0° |
| O66 | C59 | C46 | H83 | 121.2° | 120.0° |
| O66 | C59 | C60 | C65 | 167.4° | 52.6° |
| O66 | C59 | C46 | O47 | 82.8° | 146.6° |
| O66 | C59 | C46 | C45 | 37.4° | 26.6° |
| O66 | C59 | C46 | H77 | 156.1° | 93.4° |
| O66 | C59 | C60 | H84 | 47.4° | 67.3° |
| O58 | C48 | O47 | C46 | 65.6° | 5.9° |
| O58 | C48 | C49 | H78 | 74.2° | 115.3° |
| O58 | C48 | C49 | H79 | 166.7° | 124.9° |
| C62 | C61 | C60 | H85 | 120.4° | 119.9° |
| C62 | C61 | C60 | H86 | 120.4° | 120.0° |
| C62 | C61 | C60 | C59 | 167.3° | 64.5° |
| C62 | C61 | C60 | C65 | 47.2° | 175.5° |
| C62 | C61 | C60 | H84 | 72.7° | 55.5° |
| C62 | C61 | H85 | H86 | 118.7° | 120.0° |
| C61 | C62 | H87 | H88 | 118.7° | 120.0° |
| C61 | C62 | C63 | H89 | 83.5° | 54.9° |
| C61 | C62 | C63 | H90 | 35.6° | 65.1° |
| C61 | C60 | C59 | C65 | 120.0° | 120.0° |
| C61 | C60 | C59 | H84 | 120.0° | 120.1° |
| C61 | C60 | C59 | C46 | 167.7° | 52.6° |
| C61 | C60 | C65 | H84 | 120.0° | 120.0° |
| C61 | C60 | C59 | H83 | 48.7° | 67.4° |
| C60 | C61 | H85 | H86 | 118.8° | 120.1° |
| C60 | C61 | C62 | H87 | 21.7° | 54.1° |
| C60 | C61 | C62 | H88 | 97.4° | 65.9° |
| C61 | C60 | C65 | H94 | 180.0° | 164.5° |
| C61 | C60 | C65 | H95 | 60.0° | 44.5° |
| C61 | C60 | C65 | H96 | 60.0° | 75.4° |
| C48 | O47 | C46 | C59 | 39.2° | 121.0° |
| C48 | O47 | C46 | C45 | 80.9° | 119.1° |
| C48 | O47 | C46 | H77 | 159.1° | 0.9° |
| O47 | C48 | C49 | H78 | 105.7° | 64.7° |
| O47 | C48 | C49 | H79 | 13.3° | 55.2° |
| C60 | C59 | C46 | H83 | 119.0° | 119.9° |
| C59 | C60 | C65 | H84 | 119.9° | 120.0° |
| C60 | C59 | C46 | O47 | 157.4° | 93.4° |
| C60 | C59 | C46 | C45 | 82.3° | 146.7° |
| C60 | C59 | C46 | H77 | 36.3° | 26.7° |
| C59 | C60 | C61 | H85 | 46.9° | 55.4° |
| C59 | C60 | C61 | H86 | 72.3° | 175.5° |
| C59 | C60 | C65 | H94 | 59.9° | 75.5° |
| C59 | C60 | C65 | H95 | 179.9° | 164.6° |
| C59 | C60 | C65 | H96 | 60.1° | 44.6° |
| C46 | C59 | C60 | C65 | 47.7° | 67.4° |
| C59 | C46 | O47 | C45 | 120.0° | 120.0° |
| C59 | C46 | O47 | H77 | 120.0° | 120.0° |
| C59 | C46 | C45 | H77 | 118.7° | 120.0° |
| C59 | C46 | C45 | C43 | 142.9° | 172.3° |
| C59 | C46 | C45 | H75 | 22.4° | 67.7° |
| C59 | C46 | C45 | H76 | 96.7° | 52.3° |
| C46 | C59 | C60 | H84 | 72.2° | 172.6° |
| C65 | C60 | C59 | H83 | 71.4° | 172.6° |
| C65 | C60 | C61 | H85 | 73.2° | 64.6° |
| C65 | C60 | C61 | H86 | 167.6° | 55.5° |
| C60 | C65 | H94 | H95 | 120.0° | 120.0° |
| C60 | C65 | H94 | H96 | 120.0° | 120.1° |
| C60 | C65 | H95 | H96 | 120.0° | 120.0° |
| O47 | C46 | C45 | H77 | 121.1° | 120.0° |
| O47 | C46 | C45 | C43 | 22.6° | 67.7° |
| O47 | C46 | C45 | H75 | 97.8° | 52.3° |
| O47 | C46 | C45 | H76 | 143.1° | 172.3° |
| O47 | C46 | C59 | H83 | 38.4° | 26.6° |
| C46 | C45 | C43 | H75 | 120.4° | 120.0° |
| C46 | C45 | C43 | H76 | 120.4° | 120.0° |
| C46 | C45 | C43 | C44 | 159.5° | 169.7° |
| C46 | C45 | C43 | C42 | 80.5° | 70.3° |
| C46 | C45 | C43 | H71 | 39.6° | 49.7° |
| C46 | C45 | H75 | H76 | 118.6° | 120.0° |
| C45 | C46 | C59 | H83 | 158.6° | 93.4° |
| C45 | C43 | C44 | C42 | 120.0° | 120.0° |
| C45 | C43 | C44 | H71 | 120.0° | 120.0° |
| C45 | C43 | C42 | H71 | 120.1° | 120.0° |
| C45 | C43 | C42 | C40 | 169.6° | 175.0° |
| C45 | C43 | C42 | H69 | 70.0° | 65.0° |
| C45 | C43 | C42 | H70 | 49.2° | 55.1° |
| C45 | C43 | C44 | H72 | 180.0° | 65.2° |
| C45 | C43 | C44 | H73 | 60.0° | 174.9° |
| C45 | C43 | C44 | H74 | 60.0° | 54.8° |
| C43 | C45 | H75 | H76 | 118.6° | 120.0° |
| C43 | C45 | C46 | H77 | 98.5° | 52.3° |
| C44 | C43 | C42 | H71 | 120.0° | 120.0° |
| C44 | C43 | C42 | C40 | 70.4° | 65.0° |
| C44 | C43 | C42 | H69 | 49.9° | 55.0° |
| C44 | C43 | C42 | H70 | 169.2° | 175.0° |
| C43 | C44 | H72 | H73 | 120.0° | 119.9° |
| C43 | C44 | H72 | H74 | 120.0° | 120.1° |
| C43 | C44 | H73 | H74 | 120.0° | 120.0° |
| C44 | C43 | C45 | H75 | 39.1° | 49.7° |
| C44 | C43 | C45 | H76 | 80.0° | 70.2° |
| C43 | C42 | C40 | O41 | 60.0° | 65.0° |
| C43 | C42 | C40 | H69 | 120.4° | 120.0° |
| C43 | C42 | C40 | H70 | 120.4° | 120.0° |
| C43 | C42 | C40 | C39 | 179.9° | 175.0° |
| C43 | C42 | C40 | H68 | 61.1° | 55.0° |
| C43 | C42 | H69 | H70 | 118.8° | 120.0° |
| C42 | C43 | C44 | H72 | 60.0° | 54.7° |
| C42 | C43 | C44 | H73 | 180.0° | 65.2° |
| C42 | C43 | C44 | H74 | 60.0° | 174.8° |
| C42 | C43 | C45 | H75 | 159.1° | 169.7° |
| C42 | C43 | C45 | H76 | 39.9° | 49.7° |
| O41 | C40 | C42 | C39 | 120.0° | 120.0° |
| O41 | C40 | C42 | H68 | 121.1° | 120.0° |
| O41 | C40 | C39 | H68 | 121.1° | 120.0° |
| O41 | C40 | C39 | C38 | 40.5° | 65.0° |
| O41 | C40 | C39 | H66 | 160.9° | 175.0° |
| O41 | C40 | C39 | H67 | 79.9° | 55.0° |
| O41 | C40 | C42 | H69 | 179.7° | 175.0° |
| O41 | C40 | C42 | H70 | 60.4° | 55.0° |
| C42 | C40 | C39 | H68 | 119.0° | 120.0° |
| C42 | C40 | C39 | C38 | 160.5° | 175.0° |
| C42 | C40 | C39 | H66 | 79.1° | 55.0° |
| C42 | C40 | C39 | H67 | 40.1° | 65.0° |
| C40 | C42 | H69 | H70 | 118.8° | 120.0° |
| C40 | C42 | C43 | H71 | 49.5° | 55.0° |
| C42 | C40 | O41 | H105 | 180.0° | 60.0° |
| C40 | C39 | C38 | H66 | 120.4° | 120.0° |
| C40 | C39 | C38 | H67 | 120.4° | 120.0° |
| C40 | C39 | C38 | C37 | 164.1° | NaN° |
| C40 | C39 | C38 | H64 | 43.7° | 60.0° |
| C40 | C39 | C38 | H65 | 75.5° | 60.0° |
| C40 | C39 | H66 | H67 | 118.8° | 120.0° |
| C39 | C40 | C42 | H69 | 59.7° | 55.0° |
| C39 | C40 | C42 | H70 | 59.5° | 65.0° |
| C39 | C40 | O41 | H105 | 59.9° | 60.0° |
| C39 | C38 | C37 | H64 | 120.4° | 120.0° |
| C39 | C38 | C37 | H65 | 120.4° | 120.0° |
| C39 | C38 | C37 | C36 | 165.2° | 180.0° |
| C39 | C38 | C37 | H62 | 74.3° | 60.0° |
| C39 | C38 | C37 | H63 | 44.8° | 60.0° |
| C39 | C38 | H64 | H65 | 118.7° | 120.0° |
| C38 | C39 | H66 | H67 | 118.7° | 119.9° |
| C38 | C39 | C40 | H68 | 80.6° | 55.0° |
| C38 | C37 | C36 | H62 | 120.4° | 119.9° |
| C38 | C37 | C36 | H63 | 120.4° | 120.0° |
| C38 | C37 | C36 | C34 | 177.9° | 180.0° |
| C38 | C37 | C36 | H60 | 61.7° | 60.0° |
| C38 | C37 | C36 | H61 | 57.5° | 60.0° |
| C38 | C37 | H62 | H63 | 118.7° | 120.0° |
| C37 | C38 | H64 | H65 | 118.7° | 120.0° |
| C37 | C38 | C39 | H66 | 75.5° | 60.0° |
| C37 | C38 | C39 | H67 | 43.7° | 60.0° |
| C37 | C36 | C34 | H60 | 120.4° | 120.0° |
| C37 | C36 | C34 | H61 | 120.4° | 120.1° |
| C37 | C36 | C34 | C33 | 169.9° | 175.0° |
| C37 | C36 | C34 | O35 | 50.0° | 65.0° |
| C37 | C36 | C34 | H59 | 71.1° | 55.1° |
| C37 | C36 | H60 | H61 | 118.8° | 120.1° |
| C36 | C37 | H62 | H63 | 118.7° | 120.0° |
| C36 | C37 | C38 | H64 | 44.8° | 60.0° |
| C36 | C37 | C38 | H65 | 74.3° | 60.0° |
| C36 | C34 | C33 | O35 | 119.9° | 120.0° |
| C36 | C34 | C33 | H59 | 118.9° | 119.9° |
| C36 | C34 | O35 | H59 | 120.0° | 120.0° |
| C36 | C34 | C33 | C31 | 125.2° | 175.0° |
| C36 | C34 | C33 | H57 | 114.4° | 65.0° |
| C36 | C34 | C33 | H58 | 4.7° | 55.0° |
| C34 | C36 | H60 | H61 | 118.7° | 120.0° |
| C34 | C36 | C37 | H62 | 57.5° | 60.1° |
| C34 | C36 | C37 | H63 | 61.7° | 60.0° |
| C36 | C34 | O35 | H104 | 180.0° | 60.0° |
| C33 | C34 | O35 | H59 | 120.0° | 120.0° |
| C34 | C33 | C31 | H57 | 120.4° | 120.0° |
| C34 | C33 | C31 | H58 | 120.4° | 120.0° |
| C34 | C33 | C31 | O32 | 144.1° | 65.0° |
| C34 | C33 | C31 | C29 | 95.8° | 175.0° |
| C34 | C33 | C31 | H56 | 23.0° | 55.0° |
| C34 | C33 | H57 | H58 | 118.7° | 120.0° |
| C33 | C34 | C36 | H60 | 49.5° | 65.0° |
| C33 | C34 | C36 | H61 | 69.6° | 55.0° |
| C33 | C34 | O35 | H104 | 60.0° | 60.0° |
| O35 | C34 | C33 | C31 | 114.9° | 65.0° |
| O35 | C34 | C33 | H57 | 5.5° | 55.0° |
| O35 | C34 | C33 | H58 | 124.7° | 175.0° |
| O35 | C34 | C36 | H60 | 70.4° | 55.0° |
| O35 | C34 | C36 | H61 | 170.4° | 175.0° |
| C33 | C31 | O32 | C29 | 120.0° | 120.0° |
| C33 | C31 | O32 | H56 | 120.0° | 120.0° |
| C33 | C31 | C29 | H56 | 118.9° | 120.0° |
| C33 | C31 | C29 | C30 | 47.1° | NaN° |
| C33 | C31 | C29 | N28 | 167.1° | 60.0° |
| C33 | C31 | C29 | H52 | 72.3° | 60.0° |
| C31 | C33 | H57 | H58 | 118.7° | 120.1° |
| C31 | C33 | C34 | H59 | 6.2° | 55.1° |
| C33 | C31 | O32 | H103 | 180.0° | 60.1° |
| O32 | C31 | C29 | H56 | 121.1° | 120.0° |
| O32 | C31 | C29 | C30 | 167.1° | 60.0° |
| O32 | C31 | C29 | N28 | 72.9° | 60.0° |
| O32 | C31 | C29 | H52 | 47.8° | 180.0° |
| O32 | C31 | C33 | H57 | 95.4° | 175.1° |
| O32 | C31 | C33 | H58 | 23.7° | 55.0° |
| C31 | C29 | C30 | N28 | 120.1° | 120.0° |
| C31 | C29 | C30 | H52 | 119.4° | 120.0° |
| C31 | C29 | N28 | H52 | 120.0° | 120.0° |
| C31 | C29 | N28 | C26 | 170.6° | 155.0° |
| C31 | C29 | C30 | H53 | 180.0° | 60.0° |
| C31 | C29 | C30 | H54 | 60.0° | 180.0° |
| C31 | C29 | C30 | H55 | 60.0° | 60.0° |
| C29 | C31 | C33 | H57 | 24.6° | 55.0° |
| C29 | C31 | C33 | H58 | 143.8° | 65.0° |
| C31 | C29 | N28 | H102 | 9.3° | 25.0° |
| C29 | C31 | O32 | H103 | 60.0° | 59.9° |
| C30 | C29 | N28 | H52 | 119.9° | 120.0° |
| C30 | C29 | N28 | C26 | 50.6° | 85.0° |
| C29 | C30 | H53 | H54 | 120.0° | 120.1° |
| C29 | C30 | H53 | H55 | 120.0° | 120.0° |
| C29 | C30 | H54 | H55 | 120.0° | 119.9° |
| C30 | C29 | C31 | H56 | 71.8° | 60.0° |
| C30 | C29 | N28 | H102 | 129.4° | 95.0° |
| C29 | N28 | C26 | H102 | 180.0° | 180.0° |
| C29 | N28 | C26 | O27 | 0.1° | 0.0° |
| C29 | N28 | C26 | C25 | 180.0° | 180.0° |
| N28 | C29 | C30 | H53 | 60.0° | 180.0° |
| N28 | C29 | C30 | H54 | 60.1° | 60.0° |
| N28 | C29 | C30 | H55 | 179.9° | 60.0° |
| N28 | C29 | C31 | H56 | 48.2° | 180.0° |
| N28 | C26 | O27 | C25 | 179.9° | 180.0° |
| N28 | C26 | C25 | C24 | 157.8° | 180.0° |
| N28 | C26 | C25 | H50 | 37.4° | 60.0° |
| N28 | C26 | C25 | H51 | 81.8° | 60.0° |
| C26 | N28 | C29 | H52 | 69.3° | 35.0° |
| O27 | C26 | C25 | C24 | 22.2° | 0.0° |
| O27 | C26 | C25 | H50 | 142.7° | 120.0° |
| O27 | C26 | C25 | H51 | 98.2° | 120.0° |
| O27 | C26 | N28 | H102 | 179.9° | 180.0° |
| C26 | C25 | C24 | H50 | 120.4° | 120.0° |
| C26 | C25 | C24 | H51 | 120.4° | 120.0° |
| C26 | C25 | C24 | C23 | 147.2° | 180.0° |
| C26 | C25 | C24 | H15 | 92.3° | 60.0° |
| C26 | C25 | C24 | H16 | 26.8° | 60.0° |
| C26 | C25 | H50 | H51 | 118.6° | 120.0° |
| C25 | C26 | N28 | H102 | 0.0° | 0.0° |
| C25 | C24 | C23 | H15 | 120.5° | 120.0° |
| C25 | C24 | C23 | H16 | 120.4° | 120.0° |
| C25 | C24 | C23 | C22 | 141.3° | 180.0° |
| C25 | C24 | H15 | H16 | 118.7° | 119.9° |
| C25 | C24 | C23 | H48 | 98.3° | 60.0° |
| C25 | C24 | C23 | H49 | 20.9° | 60.0° |
| C24 | C25 | H50 | H51 | 118.7° | 120.0° |
| C24 | C23 | C22 | H48 | 120.4° | 120.0° |
| C24 | C23 | C22 | H49 | 120.4° | 120.0° |
| C24 | C23 | C22 | C21 | 145.4° | 180.0° |
| C24 | C23 | C22 | H13 | 25.0° | 60.0° |
| C24 | C23 | C22 | H14 | 94.2° | 60.0° |
| C23 | C24 | H15 | H16 | 118.7° | 120.0° |
| C24 | C23 | H48 | H49 | 118.7° | 120.0° |
| C23 | C24 | C25 | H50 | 26.8° | 60.0° |
| C23 | C24 | C25 | H51 | 92.4° | 60.0° |
| C23 | C22 | C21 | H13 | 120.4° | 120.0° |
| C23 | C22 | C21 | H14 | 120.4° | 120.0° |
| C23 | C22 | C21 | C20 | 174.5° | 180.0° |
| C23 | C22 | C21 | H11 | 65.1° | 60.0° |
| C23 | C22 | C21 | H12 | 54.1° | 60.0° |
| C23 | C22 | H13 | H14 | 118.8° | 120.0° |
| C22 | C23 | C24 | H15 | 20.9° | 60.0° |
| C22 | C23 | C24 | H16 | 98.2° | 60.0° |
| C22 | C23 | H48 | H49 | 118.7° | 120.1° |
| C22 | C21 | C20 | H11 | 120.4° | 120.0° |
| C22 | C21 | C20 | H12 | 120.4° | 120.0° |
| C22 | C21 | C20 | C19 | 96.7° | 180.0° |
| C22 | C21 | C20 | H9 | 142.8° | 60.0° |
| C22 | C21 | C20 | H10 | 23.7° | 60.0° |
| C22 | C21 | H11 | H12 | 118.7° | 120.0° |
| C21 | C22 | H13 | H14 | 118.7° | 120.0° |
| C21 | C22 | C23 | H48 | 94.2° | 60.0° |
| C21 | C22 | C23 | H49 | 25.0° | 60.0° |
| C21 | C20 | C19 | H9 | 120.5° | 120.0° |
| C21 | C20 | C19 | H10 | 120.4° | 120.0° |
| C21 | C20 | C19 | C18 | 138.6° | 180.0° |
| C21 | C20 | H9 | H10 | 118.7° | 120.1° |
| C20 | C21 | H11 | H12 | 118.7° | 120.0° |
| C20 | C21 | C22 | H13 | 54.1° | 60.0° |
| C20 | C21 | C22 | H14 | 65.1° | 60.0° |
| C21 | C20 | C19 | H46 | 100.9° | 60.0° |
| C21 | C20 | C19 | H47 | 18.2° | 60.0° |
| C20 | C19 | C18 | H46 | 120.4° | 120.1° |
| C20 | C19 | C18 | H47 | 120.4° | 120.0° |
| C20 | C19 | C18 | C17 | 23.6° | 179.9° |
| C19 | C20 | H9 | H10 | 118.7° | 120.0° |
| C19 | C20 | C21 | H11 | 23.7° | 60.0° |
| C19 | C20 | C21 | H12 | 142.9° | 60.0° |
| C20 | C19 | C18 | H44 | 96.8° | 60.1° |
| C20 | C19 | C18 | H45 | 144.0° | 60.0° |
| C20 | C19 | H46 | H47 | 118.7° | 120.0° |
| C19 | C18 | C17 | H44 | 120.4° | 119.9° |
| C19 | C18 | C17 | H45 | 120.4° | 120.1° |
| C19 | C18 | C17 | C16 | 177.2° | 180.0° |
| C19 | C18 | C17 | H7 | 62.4° | 60.0° |
| C19 | C18 | C17 | H8 | 56.8° | 59.9° |
| C18 | C19 | C20 | H9 | 18.2° | 60.0° |
| C18 | C19 | C20 | H10 | 101.0° | 60.0° |
| C19 | C18 | H44 | H45 | 118.7° | 120.0° |
| C18 | C19 | H46 | H47 | 118.7° | 119.9° |
| C18 | C17 | C16 | H7 | 120.4° | 120.0° |
| C18 | C17 | C16 | H8 | 120.4° | 120.1° |
| C18 | C17 | C16 | C15 | 178.0° | 179.9° |
| C18 | C17 | H7 | H8 | 118.7° | 120.0° |
| C18 | C17 | C16 | H42 | 57.5° | 60.1° |
| C18 | C17 | C16 | H43 | 61.6° | 59.9° |
| C17 | C18 | H44 | H45 | 118.7° | 120.0° |
| C17 | C18 | C19 | H46 | 144.0° | 59.9° |
| C17 | C18 | C19 | H47 | 96.8° | 60.0° |
| C17 | C16 | C15 | H42 | 120.5° | 120.0° |
| C17 | C16 | C15 | H43 | 120.4° | 120.0° |
| C17 | C16 | C15 | C14 | 164.4° | 180.0° |
| C17 | C16 | C15 | H5 | 44.0° | 60.1° |
| C17 | C16 | C15 | H6 | 75.2° | 60.0° |
| C16 | C17 | H7 | H8 | 118.7° | 120.0° |
| C17 | C16 | H42 | H43 | 118.7° | 120.0° |
| C16 | C17 | C18 | H44 | 56.7° | 60.0° |
| C16 | C17 | C18 | H45 | 62.4° | 59.9° |
| C16 | C15 | C14 | H5 | 120.4° | 120.0° |
| C16 | C15 | C14 | H6 | 120.4° | 120.0° |
| C16 | C15 | C14 | C13 | 105.8° | 180.0° |
| C16 | C15 | H5 | H6 | 118.7° | 120.0° |
| C15 | C16 | C17 | H7 | 61.6° | 60.0° |
| C15 | C16 | C17 | H8 | 57.6° | 60.0° |
| C16 | C15 | C14 | H40 | 133.8° | 60.0° |
| C16 | C15 | C14 | H41 | 14.7° | 60.0° |
| C15 | C16 | H42 | H43 | 118.7° | 120.0° |
| C15 | C14 | C13 | H40 | 120.4° | 120.0° |
| C15 | C14 | C13 | H41 | 120.4° | 120.0° |
| C15 | C14 | C13 | C12 | 158.6° | 180.0° |
| C15 | C14 | C13 | H3 | 38.2° | 60.0° |
| C15 | C14 | C13 | H4 | 81.0° | 60.0° |
| C14 | C15 | H5 | H6 | 118.7° | 119.9° |
| C15 | C14 | H40 | H41 | 118.7° | 120.0° |
| C14 | C15 | C16 | H42 | 75.1° | 60.0° |
| C14 | C15 | C16 | H43 | 44.0° | 60.0° |
| C14 | C13 | C12 | H3 | 120.4° | 120.0° |
| C14 | C13 | C12 | H4 | 120.4° | 120.0° |
| C14 | C13 | C12 | C11 | 159.6° | 180.0° |
| C14 | C13 | H3 | H4 | 118.7° | 120.0° |
| C13 | C14 | C15 | H5 | 14.7° | 60.0° |
| C13 | C14 | C15 | H6 | 133.8° | 60.0° |
| C14 | C13 | C12 | H38 | 80.0° | 60.0° |
| C14 | C13 | C12 | H39 | 39.2° | 60.0° |
| C13 | C14 | H40 | H41 | 118.7° | 120.0° |
| C13 | C12 | C11 | H38 | 120.4° | 120.0° |
| C13 | C12 | C11 | H39 | 120.4° | 120.0° |
| C13 | C12 | C11 | C10 | 173.5° | 180.0° |
| C12 | C13 | H3 | H4 | 118.7° | 120.1° |
| C13 | C12 | C11 | H36 | 66.0° | 60.0° |
| C13 | C12 | C11 | H37 | 53.2° | 60.0° |
| C13 | C12 | H38 | H39 | 118.8° | 120.0° |
| C12 | C13 | C14 | H40 | 81.0° | 60.0° |
| C12 | C13 | C14 | H41 | 38.2° | 60.0° |
| C12 | C11 | C10 | H36 | 120.4° | 120.0° |
| C12 | C11 | C10 | H37 | 120.4° | 120.0° |
| C12 | C11 | C10 | C09 | 140.5° | 180.0° |
| C12 | C11 | C10 | H1 | 20.1° | 60.0° |
| C12 | C11 | C10 | H2 | 99.0° | 60.0° |
| C11 | C12 | C13 | H3 | 39.2° | 60.0° |
| C11 | C12 | C13 | H4 | 80.0° | 60.0° |
| C12 | C11 | H36 | H37 | 118.7° | 120.0° |
| C11 | C12 | H38 | H39 | 118.7° | 120.0° |
| C11 | C10 | C09 | C08 | 115.7° | 180.0° |
| C11 | C10 | C09 | H1 | 120.4° | 120.0° |
| C11 | C10 | C09 | H2 | 120.4° | 120.0° |
| C11 | C10 | H1 | H2 | 118.7° | 120.1° |
| C11 | C10 | C09 | H34 | 123.8° | 60.0° |
| C11 | C10 | C09 | H35 | 4.7° | 60.0° |
| C10 | C11 | H36 | H37 | 118.7° | 120.0° |
| C10 | C11 | C12 | H38 | 53.1° | 60.0° |
| C10 | C11 | C12 | H39 | 66.1° | 60.0° |
| C08 | C09 | C10 | H34 | 120.4° | 120.0° |
| C08 | C09 | C10 | H35 | 120.4° | 120.0° |
| C09 | C08 | C07 | H32 | 120.4° | 120.0° |
| C09 | C08 | C07 | H33 | 120.4° | 120.1° |
| C09 | C08 | C07 | C06 | 103.4° | 180.0° |
| C08 | C09 | C10 | H1 | 123.9° | 60.0° |
| C08 | C09 | C10 | H2 | 4.7° | 60.0° |
| C09 | C08 | C07 | H30 | 17.0° | 60.0° |
| C09 | C08 | C07 | H31 | 136.2° | 59.9° |
| C09 | C08 | H32 | H33 | 118.7° | 120.0° |
| C08 | C09 | H34 | H35 | 118.7° | 120.0° |
| C10 | C09 | C08 | C07 | 88.2° | 179.9° |
| C09 | C10 | H1 | H2 | 118.7° | 119.9° |
| C10 | C09 | C08 | H32 | 32.2° | 60.0° |
| C10 | C09 | C08 | H33 | 151.3° | 60.0° |
| C10 | C09 | H34 | H35 | 118.7° | 120.0° |
| C09 | C10 | C11 | H36 | 99.1° | 60.0° |
| C09 | C10 | C11 | H37 | 20.1° | 60.1° |
| C08 | C07 | C06 | H30 | 120.4° | 119.9° |
| C08 | C07 | C06 | H31 | 120.4° | 120.1° |
| C08 | C07 | C06 | C05 | 178.4° | 180.0° |
| C08 | C07 | C06 | H28 | 61.2° | 60.1° |
| C08 | C07 | C06 | H29 | 58.0° | 59.9° |
| C08 | C07 | H30 | H31 | 118.8° | 120.0° |
| C07 | C08 | H32 | H33 | 118.7° | 120.0° |
| C07 | C08 | C09 | H34 | 32.2° | 60.0° |
| C07 | C08 | C09 | H35 | 151.3° | 60.1° |
| C07 | C06 | C05 | H28 | 120.4° | 120.0° |
| C07 | C06 | C05 | H29 | 120.4° | 120.1° |
| C07 | C06 | C05 | C04 | 148.5° | 180.0° |
| C07 | C06 | C05 | H26 | 91.1° | 60.0° |
| C07 | C06 | C05 | H27 | 28.1° | 59.9° |
| C07 | C06 | H28 | H29 | 118.7° | 120.1° |
| C06 | C07 | H30 | H31 | 118.7° | 120.0° |
| C06 | C07 | C08 | H32 | 136.2° | 60.0° |
| C06 | C07 | C08 | H33 | 17.1° | 59.9° |
| C06 | C05 | C04 | H26 | 120.4° | 120.0° |
| C06 | C05 | C04 | H27 | 120.4° | 120.1° |
| C06 | C05 | C04 | C03 | 176.9° | 180.0° |
| C06 | C05 | C04 | H24 | 56.5° | 60.0° |
| C06 | C05 | C04 | H25 | 62.6° | 60.0° |
| C06 | C05 | H26 | H27 | 118.8° | 120.0° |
| C05 | C06 | H28 | H29 | 118.7° | 119.9° |
| C05 | C06 | C07 | H30 | 58.0° | 60.0° |
| C05 | C06 | C07 | H31 | 61.2° | 59.9° |
| C05 | C04 | C03 | H24 | 120.4° | 120.0° |
| C05 | C04 | C03 | H25 | 120.4° | 120.0° |
| C05 | C04 | C03 | C02 | 138.4° | 180.0° |
| C05 | C04 | C03 | H22 | 18.0° | 60.0° |
| C05 | C04 | C03 | H23 | 101.2° | 60.0° |
| C05 | C04 | H24 | H25 | 118.7° | 119.9° |
| C04 | C05 | H26 | H27 | 118.7° | 119.9° |
| C04 | C05 | C06 | H28 | 28.1° | 60.0° |
| C04 | C05 | C06 | H29 | 91.1° | 59.9° |
| C04 | C03 | C02 | H22 | 120.4° | 120.0° |
| C04 | C03 | C02 | H23 | 120.4° | 120.0° |
| C04 | C03 | C02 | C01 | 135.1° | 180.0° |
| C04 | C03 | C02 | H20 | 104.5° | 60.0° |
| C04 | C03 | C02 | H21 | 14.6° | 60.0° |
| C04 | C03 | H22 | H23 | 118.7° | 120.0° |
| C03 | C04 | H24 | H25 | 118.7° | 120.0° |
| C03 | C04 | C05 | H26 | 62.6° | 60.0° |
| C03 | C04 | C05 | H27 | 56.5° | 60.0° |
| C03 | C02 | C01 | H20 | 120.4° | 120.0° |
| C03 | C02 | C01 | H21 | 120.4° | 120.0° |
| C03 | C02 | C01 | H17 | 180.0° | 60.0° |
| C03 | C02 | C01 | H18 | 60.0° | 60.0° |
| C03 | C02 | C01 | H19 | 60.0° | 180.0° |
| C03 | C02 | H20 | H21 | 118.7° | 120.0° |
| C02 | C03 | H22 | H23 | 118.7° | 120.1° |
| C02 | C03 | C04 | H24 | 101.2° | 60.0° |
| C02 | C03 | C04 | H25 | 18.0° | 60.0° |
| C02 | C01 | H17 | H18 | 120.0° | 120.0° |
| C02 | C01 | H17 | H19 | 120.0° | 120.0° |
| C02 | C01 | H18 | H19 | 119.9° | 119.9° |
| C01 | C02 | H20 | H21 | 118.7° | 120.0° |
| C01 | C02 | C03 | H22 | 14.6° | 60.0° |
| C01 | C02 | C03 | H23 | 104.6° | 60.0° |
| H1 | C10 | C09 | H34 | 3.4° | 60.0° |
| H1 | C10 | C09 | H35 | 115.7° | 180.0° |
| H1 | C10 | C11 | H36 | 140.5° | 180.0° |
| H1 | C10 | C11 | H37 | 100.3° | 60.0° |
| H2 | C10 | C09 | H34 | 115.8° | 180.0° |
| H2 | C10 | C09 | H35 | 125.1° | 60.0° |
| H2 | C10 | C11 | H36 | 21.4° | 60.0° |
| H2 | C10 | C11 | H37 | 140.6° | 180.0° |
| H3 | C13 | C12 | H38 | 159.6° | 60.0° |
| H3 | C13 | C12 | H39 | 81.2° | 180.0° |
| H3 | C13 | C14 | H40 | 158.6° | NaN° |
| H3 | C13 | C14 | H41 | 82.2° | 60.0° |
| H4 | C13 | C12 | H38 | 40.4° | 180.0° |
| H4 | C13 | C12 | H39 | 159.6° | 60.0° |
| H4 | C13 | C14 | H40 | 39.4° | 60.0° |
| H4 | C13 | C14 | H41 | 158.6° | 180.0° |
| H5 | C15 | C14 | H40 | 105.8° | 180.0° |
| H5 | C15 | C14 | H41 | 135.1° | 60.0° |
| H5 | C15 | C16 | H42 | 164.5° | 180.0° |
| H5 | C15 | C16 | H43 | 76.4° | 60.0° |
| H6 | C15 | C14 | H40 | 13.4° | 60.0° |
| H6 | C15 | C14 | H41 | 105.7° | 180.0° |
| H6 | C15 | C16 | H42 | 45.3° | 60.0° |
| H6 | C15 | C16 | H43 | 164.4° | 179.9° |
| H7 | C17 | C16 | H42 | 178.0° | 180.0° |
| H7 | C17 | C16 | H43 | 58.8° | 60.0° |
| H7 | C17 | C18 | H44 | 177.2° | 180.0° |
| H7 | C17 | C18 | H45 | 58.0° | 60.1° |
| H8 | C17 | C16 | H42 | 62.9° | 60.0° |
| H8 | C17 | C16 | H43 | 178.0° | 180.0° |
| H8 | C17 | C18 | H44 | 63.7° | 60.0° |
| H8 | C17 | C18 | H45 | 177.2° | 180.0° |
| H9 | C20 | C21 | H11 | 96.8° | 60.0° |
| H9 | C20 | C21 | H12 | 22.4° | 180.0° |
| H9 | C20 | C19 | H46 | 138.6° | 180.0° |
| H9 | C20 | C19 | H47 | 102.3° | 60.0° |
| H10 | C20 | C21 | H11 | 144.1° | 180.0° |
| H10 | C20 | C21 | H12 | 96.7° | 60.0° |
| H10 | C20 | C19 | H46 | 19.5° | 60.0° |
| H10 | C20 | C19 | H47 | 138.6° | 180.0° |
| H11 | C21 | C22 | H13 | 174.5° | 180.0° |
| H11 | C21 | C22 | H14 | 55.4° | 60.0° |
| H12 | C21 | C22 | H13 | 66.3° | 60.0° |
| H12 | C21 | C22 | H14 | 174.5° | 180.0° |
| H13 | C22 | C23 | H48 | 145.4° | 180.0° |
| H13 | C22 | C23 | H49 | 95.4° | 60.0° |
| H14 | C22 | C23 | H48 | 26.2° | 60.0° |
| H14 | C22 | C23 | H49 | 145.4° | 180.0° |
| H15 | C24 | C23 | H48 | 141.3° | 180.0° |
| H15 | C24 | C23 | H49 | 99.5° | 60.0° |
| H15 | C24 | C25 | H50 | 147.3° | 180.0° |
| H15 | C24 | C25 | H51 | 28.1° | 60.0° |
| H16 | C24 | C23 | H48 | 22.2° | 60.0° |
| H16 | C24 | C23 | H49 | 141.4° | 180.0° |
| H16 | C24 | C25 | H50 | 93.6° | 60.0° |
| H16 | C24 | C25 | H51 | 147.2° | 180.0° |
| H17 | C01 | H18 | H19 | 120.0° | 120.0° |
| H17 | C01 | C02 | H20 | 59.6° | 60.0° |
| H17 | C01 | C02 | H21 | 59.6° | 180.0° |
| H18 | C01 | C02 | H20 | 179.6° | 180.0° |
| H18 | C01 | C02 | H21 | 60.4° | 60.0° |
| H19 | C01 | C02 | H20 | 60.5° | 60.0° |
| H19 | C01 | C02 | H21 | 179.6° | 60.0° |
| H20 | C02 | C03 | H22 | 135.1° | 180.0° |
| H20 | C02 | C03 | H23 | 15.9° | 60.0° |
| H21 | C02 | C03 | H22 | 105.8° | 60.0° |
| H21 | C02 | C03 | H23 | 135.0° | 180.0° |
| H22 | C03 | C04 | H24 | 138.4° | 180.0° |
| H22 | C03 | C04 | H25 | 102.4° | 60.0° |
| H23 | C03 | C04 | H24 | 19.2° | 60.0° |
| H23 | C03 | C04 | H25 | 138.4° | 180.0° |
| H24 | C04 | C05 | H26 | 177.0° | 180.0° |
| H24 | C04 | C05 | H27 | 63.9° | 60.1° |
| H25 | C04 | C05 | H26 | 57.8° | 60.0° |
| H25 | C04 | C05 | H27 | 177.0° | 180.0° |
| H26 | C05 | C06 | H28 | 148.5° | 180.0° |
| H26 | C05 | C06 | H29 | 29.4° | 60.0° |
| H27 | C05 | C06 | H28 | 92.3° | 60.0° |
| H27 | C05 | C06 | H29 | 148.5° | 180.0° |
| H28 | C06 | C07 | H30 | 178.4° | 180.0° |
| H28 | C06 | C07 | H31 | 59.2° | 60.0° |
| H29 | C06 | C07 | H30 | 62.4° | 60.0° |
| H29 | C06 | C07 | H31 | 178.4° | 180.0° |
| H30 | C07 | C08 | H32 | 103.4° | 180.0° |
| H30 | C07 | C08 | H33 | 137.5° | 60.0° |
| H31 | C07 | C08 | H32 | 15.8° | 60.0° |
| H31 | C07 | C08 | H33 | 103.3° | 180.0° |
| H32 | C08 | C09 | H34 | 152.6° | 59.9° |
| H32 | C08 | C09 | H35 | 88.2° | 180.0° |
| H33 | C08 | C09 | H34 | 88.2° | 179.9° |
| H33 | C08 | C09 | H35 | 30.9° | 60.0° |
| H36 | C11 | C12 | H38 | 173.6° | 60.0° |
| H36 | C11 | C12 | H39 | 54.4° | 180.0° |
| H37 | C11 | C12 | H38 | 67.3° | 180.0° |
| H37 | C11 | C12 | H39 | 173.6° | 60.0° |
| H44 | C18 | C19 | H46 | 23.6° | 60.0° |
| H44 | C18 | C19 | H47 | 142.7° | 179.9° |
| H45 | C18 | C19 | H46 | 95.5° | 180.0° |
| H45 | C18 | C19 | H47 | 23.6° | 60.0° |
| H52 | C29 | C30 | H53 | 60.6° | 60.0° |
| H52 | C29 | C30 | H54 | 179.4° | 60.0° |
| H52 | C29 | C30 | H55 | 59.4° | 180.0° |
| H52 | C29 | C31 | H56 | 168.8° | 60.0° |
| H52 | C29 | N28 | H102 | 110.7° | 145.0° |
| H53 | C30 | H54 | H55 | 120.0° | 120.0° |
| H56 | C31 | C33 | H57 | 143.5° | 65.0° |
| H56 | C31 | C33 | H58 | 97.4° | 175.0° |
| H56 | C31 | O32 | H103 | 60.0° | 180.0° |
| H57 | C33 | C34 | H59 | 126.6° | 175.1° |
| H58 | C33 | C34 | H59 | 114.2° | 65.0° |
| H59 | C34 | C36 | H60 | 168.5° | 175.0° |
| H59 | C34 | C36 | H61 | 49.3° | 65.0° |
| H59 | C34 | O35 | H104 | 60.0° | 179.9° |
| H60 | C36 | C37 | H62 | 177.9° | 180.0° |
| H60 | C36 | C37 | H63 | 58.8° | 60.0° |
| H61 | C36 | C37 | H62 | 62.9° | 60.0° |
| H61 | C36 | C37 | H63 | 177.9° | 180.0° |
| H62 | C37 | C38 | H64 | 165.3° | 179.9° |
| H62 | C37 | C38 | H65 | 46.1° | 60.0° |
| H63 | C37 | C38 | H64 | 75.6° | 60.0° |
| H63 | C37 | C38 | H65 | 165.2° | 180.0° |
| H64 | C38 | C39 | H66 | 164.1° | 180.0° |
| H64 | C38 | C39 | H67 | 76.7° | 60.1° |
| H65 | C38 | C39 | H66 | 44.9° | 60.0° |
| H65 | C38 | C39 | H67 | 164.1° | 180.0° |
| H66 | C39 | C40 | H68 | 39.8° | 65.0° |
| H67 | C39 | C40 | H68 | 159.0° | 175.0° |
| H68 | C40 | C42 | H69 | 59.3° | 65.0° |
| H68 | C40 | C42 | H70 | 178.5° | 175.0° |
| H68 | C40 | O41 | H105 | 60.0° | 180.0° |
| H69 | C42 | C43 | H71 | 169.9° | 175.0° |
| H70 | C42 | C43 | H71 | 70.9° | 65.0° |
| H71 | C43 | C44 | H72 | 60.0° | 174.7° |
| H71 | C43 | C44 | H73 | 60.0° | 54.8° |
| H71 | C43 | C44 | H74 | 180.0° | 65.2° |
| H71 | C43 | C45 | H75 | 80.9° | 70.3° |
| H71 | C43 | C45 | H76 | 160.0° | 169.8° |
| H72 | C44 | H73 | H74 | 120.0° | 120.0° |
| H75 | C45 | C46 | H77 | 141.1° | 172.3° |
| H76 | C45 | C46 | H77 | 22.0° | 67.7° |
| H77 | C46 | C59 | H83 | 82.7° | 146.6° |
| H78 | C49 | C50 | H80 | 79.1° | 65.1° |
| H79 | C49 | C50 | H80 | 161.8° | 175.0° |
| H80 | C50 | C54 | H81 | 115.2° | 65.0° |
| H80 | C50 | C54 | H82 | 125.6° | 175.0° |
| H83 | C59 | C60 | H84 | 168.7° | 52.7° |
| H84 | C60 | C61 | H85 | 166.9° | 175.5° |
| H84 | C60 | C61 | H86 | 47.7° | 64.5° |
| H84 | C60 | C65 | H94 | 60.0° | 44.5° |
| H84 | C60 | C65 | H95 | 60.0° | 75.5° |
| H84 | C60 | C65 | H96 | 180.0° | 164.6° |
| H85 | C61 | C62 | H87 | 142.1° | 174.1° |
| H85 | C61 | C62 | H88 | 23.0° | 54.1° |
| H86 | C61 | C62 | H87 | 98.7° | 65.9° |
| H86 | C61 | C62 | H88 | 142.2° | 174.1° |
| H87 | C62 | C63 | H89 | 156.0° | 174.9° |
| H87 | C62 | C63 | H90 | 84.8° | 54.9° |
| H88 | C62 | C63 | H89 | 36.9° | 65.1° |
| H88 | C62 | C63 | H90 | 156.1° | 174.9° |
| H89 | C63 | C64 | H91 | 59.6° | 174.9° |
| H89 | C63 | C64 | H92 | 60.4° | 65.0° |
| H89 | C63 | C64 | H93 | 179.6° | 54.9° |
| H90 | C63 | C64 | H91 | 59.6° | 55.0° |
| H90 | C63 | C64 | H92 | 179.5° | 175.1° |
| H90 | C63 | C64 | H93 | 60.4° | 65.0° |
| H91 | C64 | H92 | H93 | 120.0° | 120.0° |
| H94 | C65 | H95 | H96 | 120.0° | 120.0° |
| H97 | C69 | C70 | H99 | 146.5° | 66.6° |
| H98 | C69 | C70 | H99 | 94.4° | 173.4° |
| H99 | C70 | C74 | H100 | 64.3° | 65.0° |
| H99 | C70 | C74 | H101 | 54.8° | 175.0° |
