A1IHN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C29 | sing | 1.43Å | 1.38Å | |
| O22 | C37 | doub | 1.21Å | 1.25Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| O20 | C35 | doub | 1.21Å | 1.19Å | |
| C36 | C35 | sing | 1.51Å | 1.52Å | |
| C37 | O23 | sing | 1.34Å | 1.26Å | |
| C37 | C27 | sing | 1.51Å | 1.53Å | |
| C35 | N1 | sing | 1.35Å | 1.45Å | |
| N1 | C30 | sing | 1.46Å | 1.45Å | |
| C27 | O15 | sing | 1.43Å | 1.45Å | |
| C27 | O16 | sing | 1.43Å | 1.40Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C26 | O13 | sing | 1.43Å | 1.40Å | |
| C30 | C31 | sing | 1.53Å | 1.56Å | |
| O15 | C23 | sing | 1.43Å | 1.41Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | O12 | sing | 1.43Å | 1.38Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | O14 | sing | 1.43Å | 1.40Å | |
| C33 | O18 | sing | 1.43Å | 1.40Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.54Å | |
| C34 | O17 | sing | 1.43Å | 1.41Å | |
| O16 | C31 | sing | 1.43Å | 1.41Å | |
| C23 | C22 | sing | 1.53Å | 1.56Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C32 | O19 | sing | 1.43Å | 1.39Å | |
| O12 | C21 | sing | 1.43Å | 1.36Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | O11 | sing | 1.43Å | 1.46Å | |
| C22 | O24 | sing | 1.43Å | 1.40Å | |
| O11 | C17 | sing | 1.43Å | 1.41Å | |
| C20 | O9 | sing | 1.43Å | 1.40Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | O10 | sing | 1.43Å | 1.38Å | |
| O28 | C48 | sing | 1.43Å | 1.40Å | |
| O29 | C47 | sing | 1.43Å | 1.41Å | |
| C19 | O8 | sing | 1.43Å | 1.38Å | |
| O34 | C51 | doub | 1.21Å | 1.26Å | |
| O8 | C15 | sing | 1.43Å | 1.37Å | |
| C48 | C47 | sing | 1.53Å | 1.52Å | |
| C38 | C16 | sing | 1.53Å | 1.54Å | |
| C38 | C39 | sing | 1.51Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C47 | C46 | sing | 1.53Å | 1.53Å | |
| C51 | O33 | sing | 1.34Å | 1.25Å | |
| C51 | C41 | sing | 1.51Å | 1.53Å | |
| O31 | C49 | doub | 1.21Å | 1.18Å | |
| O30 | C46 | sing | 1.43Å | 1.41Å | |
| C15 | O7 | sing | 1.43Å | 1.44Å | |
| C39 | C40 | sing | 1.51Å | 1.53Å | |
| C39 | O25 | doub | 1.21Å | 1.18Å | |
| C46 | C45 | sing | 1.53Å | 1.53Å | |
| C49 | C50 | sing | 1.51Å | 1.53Å | |
| C49 | N2 | sing | 1.35Å | 1.45Å | |
| O27 | C41 | sing | 1.43Å | 1.36Å | |
| O27 | C45 | sing | 1.43Å | 1.39Å | |
| C41 | O26 | sing | 1.43Å | 1.44Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| O7 | C12 | sing | 1.43Å | 1.46Å | |
| C44 | C45 | sing | 1.53Å | 1.54Å | |
| C44 | N2 | sing | 1.47Å | 1.44Å | |
| C44 | C43 | sing | 1.53Å | 1.55Å | |
| O26 | C11 | sing | 1.43Å | 1.41Å | |
| C43 | C42 | sing | 1.53Å | 1.54Å | |
| C43 | O32 | sing | 1.43Å | 1.39Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | O6 | sing | 1.43Å | 1.39Å | |
| C13 | O5 | sing | 1.43Å | 1.41Å | |
| C10 | O35 | sing | 1.43Å | 1.37Å | |
| C10 | C9 | sing | 1.53Å | 1.57Å | |
| O5 | C9 | sing | 1.43Å | 1.40Å | |
| C9 | O4 | sing | 1.43Å | 1.39Å | |
| O4 | C6 | sing | 1.43Å | 1.42Å | |
| O3 | C8 | sing | 1.43Å | 1.40Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| O36 | C5 | sing | 1.43Å | 1.39Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C7 | O2 | sing | 1.43Å | 1.41Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C4 | O37 | sing | 1.43Å | 1.41Å | |
| O2 | C3 | sing | 1.43Å | 1.40Å | |
| C3 | O1 | sing | 1.43Å | 1.42Å | |
| O1 | C2 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.09Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H45 | sing | 1.09Å | 1.10Å | |
| C33 | H46 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | H47 | sing | 1.09Å | 1.10Å | |
| C34 | H48 | sing | 1.09Å | 1.10Å | |
| C36 | H53 | sing | 1.09Å | 1.10Å | |
| C36 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| C38 | H58 | sing | 1.09Å | 1.10Å | |
| C38 | H59 | sing | 1.09Å | 1.10Å | |
| C40 | H60 | sing | 1.09Å | 1.10Å | |
| C40 | H62 | sing | 1.09Å | 1.10Å | |
| C40 | H61 | sing | 1.09Å | 1.10Å | |
| C42 | H64 | sing | 1.09Å | 1.10Å | |
| C42 | H63 | sing | 1.09Å | 1.10Å | |
| C43 | H65 | sing | 1.09Å | 1.10Å | |
| C44 | H66 | sing | 1.09Å | 1.10Å | |
| C45 | H67 | sing | 1.09Å | 1.10Å | |
| C46 | H68 | sing | 1.09Å | 1.10Å | |
| C47 | H69 | sing | 1.09Å | 1.10Å | |
| C48 | H70 | sing | 1.09Å | 1.10Å | |
| C48 | H71 | sing | 1.09Å | 1.10Å | |
| C50 | H77 | sing | 1.09Å | 1.10Å | |
| C50 | H76 | sing | 1.09Å | 1.10Å | |
| C50 | H78 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| N1 | H52 | sing | 0.97Å | 1.00Å | |
| N2 | H75 | sing | 0.97Å | 1.00Å | |
| O10 | H30 | sing | 0.97Å | 0.95Å | |
| O13 | H38 | sing | 0.97Å | 0.95Å | |
| O14 | H39 | sing | 0.97Å | 0.95Å | |
| O17 | H49 | sing | 0.97Å | 0.95Å | |
| O18 | H50 | sing | 0.97Å | 0.95Å | |
| O19 | H51 | sing | 0.97Å | 0.95Å | |
| O21 | H56 | sing | 0.97Å | 0.95Å | |
| O23 | H83 | sing | 0.97Å | 0.95Å | |
| O24 | H57 | sing | 0.97Å | 0.95Å | |
| O28 | H72 | sing | 0.97Å | 0.95Å | |
| O29 | H73 | sing | 0.97Å | 0.95Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| O30 | H74 | sing | 0.97Å | 0.95Å | |
| O32 | H79 | sing | 0.97Å | 0.95Å | |
| O33 | H84 | sing | 0.97Å | 0.95Å | |
| O35 | H80 | sing | 0.97Å | 0.95Å | |
| O36 | H81 | sing | 0.97Å | 0.95Å | |
| O37 | H82 | sing | 0.97Å | 0.95Å | |
| O6 | H21 | sing | 0.97Å | 0.95Å | |
| O9 | H29 | sing | 0.97Å | 0.95Å | |
| C1 | N3 | sing | 1.46Å | 265.33Å | |
| C1 | C53 | sing | 1.53Å | 265.33Å | |
| C53 | O39 | sing | 1.43Å | 0.00Å | |
| N3 | C55 | sing | 1.35Å | 0.00Å | |
| C55 | O38 | doub | 1.21Å | 0.00Å | |
| C55 | C57 | sing | 1.51Å | 0.00Å | |
| C53 | C56 | sing | 1.51Å | 0.00Å | |
| C57 | C52 | sing | 1.53Å | 0.00Å | |
| C52 | C54 | sing | 1.53Å | 0.00Å | |
| C54 | C58 | sing | 1.53Å | 0.00Å | |
| C58 | C59 | sing | 1.53Å | 0.00Å | |
| C59 | C60 | sing | 1.53Å | 0.00Å | |
| C60 | C61 | sing | 1.53Å | 0.00Å | |
| C61 | C62 | sing | 1.53Å | 0.00Å | |
| C62 | C63 | sing | 1.53Å | 0.00Å | |
| C63 | C64 | sing | 1.53Å | 0.00Å | |
| C64 | C65 | sing | 1.53Å | 0.00Å | |
| C65 | C66 | sing | 1.53Å | 0.00Å | |
| C66 | C67 | sing | 1.53Å | 0.00Å | |
| C67 | C68 | sing | 1.53Å | 0.00Å | |
| C68 | C69 | sing | 1.53Å | 0.00Å | |
| C69 | C70 | sing | 1.53Å | 0.00Å | |
| C70 | C71 | sing | 1.53Å | 0.00Å | |
| C71 | C72 | sing | 1.53Å | 0.00Å | |
| C72 | C73 | sing | 1.53Å | 0.00Å | |
| C73 | C74 | sing | 1.53Å | 0.00Å | |
| C74 | C75 | sing | 1.53Å | 0.00Å | |
| C56 | C76 | doub | 1.31Å | 0.00Å | |
| C76 | C77 | sing | 1.51Å | 0.00Å | |
| C77 | C78 | sing | 1.53Å | 0.00Å | |
| C78 | C79 | sing | 1.53Å | 0.00Å | |
| C79 | C80 | sing | 1.53Å | 0.00Å | |
| C80 | C81 | sing | 1.53Å | 0.00Å | |
| C81 | C82 | sing | 1.53Å | 0.00Å | |
| C82 | C83 | sing | 1.53Å | 0.00Å | |
| C83 | C84 | sing | 1.53Å | 0.00Å | |
| C84 | C85 | sing | 1.53Å | 0.00Å | |
| C85 | C86 | sing | 1.53Å | 0.00Å | |
| C86 | C87 | sing | 1.53Å | 0.00Å | |
| C87 | C88 | sing | 1.53Å | 0.00Å | |
| C88 | C89 | sing | 1.53Å | 0.00Å | |
| N3 | H1 | sing | 0.97Å | 0.00Å | |
| C53 | H2 | sing | 1.09Å | 0.00Å | |
| O39 | H85 | sing | 0.97Å | 0.00Å | |
| C57 | H86 | sing | 1.09Å | 0.00Å | |
| C57 | H87 | sing | 1.09Å | 0.00Å | |
| C56 | H88 | sing | 1.08Å | 0.00Å | |
| C52 | H89 | sing | 1.09Å | 0.00Å | |
| C52 | H90 | sing | 1.09Å | 0.00Å | |
| C54 | H91 | sing | 1.09Å | 0.00Å | |
| C54 | H92 | sing | 1.09Å | 0.00Å | |
| C76 | H93 | sing | 1.08Å | 0.00Å | |
| C77 | H95 | sing | 1.09Å | 0.00Å | |
| C77 | H94 | sing | 1.09Å | 0.00Å | |
| C78 | H96 | sing | 1.09Å | 0.00Å | |
| C78 | H97 | sing | 1.09Å | 0.00Å | |
| C79 | H98 | sing | 1.09Å | 0.00Å | |
| C79 | H99 | sing | 1.09Å | 0.00Å | |
| C80 | H100 | sing | 1.09Å | 0.00Å | |
| C80 | H101 | sing | 1.09Å | 0.00Å | |
| C81 | H102 | sing | 1.09Å | 0.00Å | |
| C81 | H103 | sing | 1.09Å | 0.00Å | |
| C82 | H104 | sing | 1.09Å | 0.00Å | |
| C82 | H105 | sing | 1.09Å | 0.00Å | |
| C83 | H107 | sing | 1.09Å | 0.00Å | |
| C83 | H106 | sing | 1.09Å | 0.00Å | |
| C84 | H109 | sing | 1.09Å | 0.00Å | |
| C84 | H108 | sing | 1.09Å | 0.00Å | |
| C85 | H114 | sing | 1.09Å | 0.00Å | |
| C85 | H110 | sing | 1.09Å | 0.00Å | |
| C86 | H111 | sing | 1.09Å | 0.00Å | |
| C86 | H112 | sing | 1.09Å | 0.00Å | |
| C87 | H115 | sing | 1.09Å | 0.00Å | |
| C87 | H113 | sing | 1.09Å | 0.00Å | |
| C88 | H118 | sing | 1.09Å | 0.00Å | |
| C88 | H116 | sing | 1.09Å | 0.00Å | |
| C89 | H117 | sing | 1.09Å | 0.00Å | |
| C89 | H119 | sing | 1.09Å | 0.00Å | |
| C89 | H120 | sing | 1.09Å | 0.00Å | |
| C58 | H122 | sing | 1.09Å | 0.00Å | |
| C58 | H121 | sing | 1.09Å | 0.00Å | |
| C59 | H123 | sing | 1.09Å | 0.00Å | |
| C59 | H124 | sing | 1.09Å | 0.00Å | |
| C60 | H125 | sing | 1.09Å | 0.00Å | |
| C60 | H126 | sing | 1.09Å | 0.00Å | |
| C61 | H150 | sing | 1.09Å | 0.00Å | |
| C62 | H128 | sing | 1.09Å | 0.00Å | |
| C62 | H127 | sing | 1.09Å | 0.00Å | |
| C63 | H130 | sing | 1.09Å | 0.00Å | |
| C63 | H129 | sing | 1.09Å | 0.00Å | |
| C64 | H132 | sing | 1.09Å | 0.00Å | |
| C64 | H131 | sing | 1.09Å | 0.00Å | |
| C61 | H151 | sing | 1.09Å | 0.00Å | |
| C65 | H148 | sing | 1.09Å | 0.00Å | |
| C65 | H149 | sing | 1.09Å | 0.00Å | |
| C66 | H147 | sing | 1.09Å | 0.00Å | |
| C66 | H146 | sing | 1.09Å | 0.00Å | |
| C67 | H145 | sing | 1.09Å | 0.00Å | |
| C68 | H144 | sing | 1.09Å | 0.00Å | |
| C68 | H143 | sing | 1.09Å | 0.00Å | |
| C69 | H153 | sing | 1.09Å | 0.00Å | |
| C70 | H142 | sing | 1.09Å | 0.00Å | |
| C70 | H141 | sing | 1.09Å | 0.00Å | |
| C71 | H140 | sing | 1.09Å | 0.00Å | |
| C71 | H139 | sing | 1.09Å | 0.00Å | |
| C72 | H138 | sing | 1.09Å | 0.00Å | |
| C72 | H137 | sing | 1.09Å | 0.00Å | |
| C73 | H136 | sing | 1.09Å | 0.00Å | |
| C73 | H135 | sing | 1.09Å | 0.00Å | |
| C74 | H134 | sing | 1.09Å | 0.00Å | |
| C74 | H133 | sing | 1.09Å | 0.00Å | |
| C75 | H155 | sing | 1.09Å | 0.00Å | |
| C75 | H157 | sing | 1.09Å | 0.00Å | |
| C69 | H154 | sing | 1.09Å | 0.00Å | |
| C67 | H152 | sing | 1.09Å | 0.00Å | |
| C75 | H156 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C29 | C28 | 107.5° | 109.5° |
| O21 | C29 | C30 | 109.4° | 109.6° |
| O21 | C29 | H42 | 111.6° | 109.6° |
| C29 | O21 | H56 | 109.5° | 114.0° |
| O22 | C37 | O23 | 119.1° | 120.0° |
| O22 | C37 | C27 | 121.0° | 120.1° |
| C28 | C29 | C30 | 109.5° | 109.1° |
| C29 | C28 | C27 | 112.8° | 109.2° |
| C29 | C28 | H40 | 108.6° | 109.5° |
| C29 | C28 | H41 | 108.6° | 109.5° |
| C28 | C29 | H42 | 109.5° | 109.5° |
| C29 | C30 | N1 | 107.7° | 109.5° |
| C29 | C30 | C31 | 113.2° | 109.2° |
| C30 | C29 | H42 | 109.3° | 109.6° |
| C29 | C30 | H43 | 106.6° | 109.5° |
| C28 | C27 | C37 | 108.1° | 109.5° |
| C28 | C27 | O15 | 111.2° | 109.5° |
| C28 | C27 | O16 | 111.1° | 109.4° |
| C27 | C28 | H40 | 108.6° | 109.6° |
| C27 | C28 | H41 | 108.6° | 109.5° |
| O20 | C35 | C36 | 119.6° | 120.0° |
| O20 | C35 | N1 | 120.5° | 120.0° |
| C36 | C35 | N1 | 120.0° | 120.0° |
| C35 | C36 | H53 | 109.5° | 109.5° |
| C35 | C36 | H54 | 109.4° | 109.5° |
| C35 | C36 | H55 | 109.5° | 109.4° |
| O23 | C37 | C27 | 119.9° | 120.0° |
| C37 | O23 | H83 | 109.5° | 117.0° |
| C37 | C27 | O15 | 107.5° | 109.4° |
| C37 | C27 | O16 | 107.4° | 109.5° |
| C35 | N1 | C30 | 119.8° | 120.0° |
| C35 | N1 | H52 | 120.1° | 120.0° |
| N1 | C30 | C31 | 114.6° | 109.5° |
| N1 | C30 | H43 | 107.8° | 109.6° |
| C30 | N1 | H52 | 120.1° | 120.0° |
| O15 | C27 | O16 | 111.3° | 109.5° |
| C27 | O15 | C23 | 115.2° | 114.0° |
| C27 | O16 | C31 | 133.9° | 114.1° |
| C25 | C26 | O13 | 108.4° | 109.5° |
| C26 | C25 | C24 | 111.3° | 109.5° |
| C26 | C25 | O12 | 108.0° | 109.5° |
| C26 | C25 | H35 | 109.7° | 109.5° |
| C25 | C26 | H37 | 109.8° | 109.5° |
| C25 | C26 | H36 | 109.7° | 109.4° |
| O13 | C26 | H37 | 109.7° | 109.5° |
| O13 | C26 | H36 | 109.8° | 109.5° |
| C26 | O13 | H38 | 109.5° | 114.0° |
| C30 | C31 | O16 | 112.2° | 109.4° |
| C30 | C31 | C32 | 115.9° | 109.5° |
| C31 | C30 | H43 | 106.5° | 109.5° |
| C30 | C31 | H44 | 106.0° | 109.5° |
| O15 | C23 | C24 | 109.0° | 109.6° |
| O15 | C23 | C22 | 110.0° | 109.5° |
| O15 | C23 | H33 | 110.0° | 109.6° |
| C24 | C25 | O12 | 106.8° | 109.4° |
| C25 | C24 | C23 | 110.5° | 109.2° |
| C25 | C24 | O14 | 108.7° | 109.5° |
| C25 | C24 | H34 | 108.8° | 109.5° |
| C24 | C25 | H35 | 109.4° | 109.5° |
| C25 | O12 | C21 | 122.6° | 114.2° |
| O12 | C25 | H35 | 111.6° | 109.5° |
| C23 | C24 | O14 | 109.3° | 109.5° |
| C24 | C23 | C22 | 111.4° | 109.0° |
| C24 | C23 | H33 | 108.4° | 109.5° |
| C23 | C24 | H34 | 108.9° | 109.5° |
| O14 | C24 | H34 | 110.7° | 109.6° |
| C24 | O14 | H39 | 109.5° | 114.0° |
| O18 | C33 | C34 | 108.6° | 109.4° |
| O18 | C33 | C32 | 108.8° | 109.4° |
| O18 | C33 | H46 | 110.6° | 109.5° |
| C33 | O18 | H50 | 109.5° | 114.0° |
| C34 | C33 | C32 | 111.4° | 109.5° |
| C33 | C34 | O17 | 109.2° | 109.5° |
| C34 | C33 | H46 | 108.8° | 109.5° |
| C33 | C34 | H47 | 109.5° | 109.4° |
| C33 | C34 | H48 | 109.5° | 109.5° |
| C33 | C32 | C31 | 113.5° | 109.5° |
| C33 | C32 | O19 | 108.6° | 109.5° |
| C33 | C32 | H45 | 108.1° | 109.5° |
| C32 | C33 | H46 | 108.6° | 109.5° |
| O17 | C34 | H47 | 109.5° | 109.4° |
| O17 | C34 | H48 | 109.5° | 109.5° |
| C34 | O17 | H49 | 109.5° | 114.0° |
| O16 | C31 | C32 | 108.4° | 109.5° |
| O16 | C31 | H44 | 107.7° | 109.5° |
| C23 | C22 | C21 | 110.8° | 109.3° |
| C23 | C22 | O24 | 108.0° | 109.5° |
| C23 | C22 | H32 | 109.1° | 109.5° |
| C22 | C23 | H33 | 108.0° | 109.6° |
| C31 | C32 | O19 | 108.4° | 109.5° |
| C31 | C32 | H45 | 108.0° | 109.5° |
| C32 | C31 | H44 | 106.1° | 109.5° |
| O19 | C32 | H45 | 110.2° | 109.4° |
| C32 | O19 | H51 | 109.5° | 114.0° |
| O12 | C21 | C22 | 110.3° | 109.4° |
| O12 | C21 | O11 | 107.9° | 109.5° |
| O12 | C21 | H31 | 108.5° | 109.5° |
| C22 | C21 | O11 | 116.0° | 109.5° |
| C21 | C22 | O24 | 107.7° | 109.5° |
| C21 | C22 | H32 | 109.7° | 109.5° |
| C22 | C21 | H31 | 106.6° | 109.4° |
| C21 | O11 | C17 | 115.7° | 114.0° |
| O11 | C21 | H31 | 107.2° | 109.5° |
| O24 | C22 | H32 | 111.5° | 109.5° |
| C22 | O24 | H57 | 109.5° | 114.0° |
| O11 | C17 | C18 | 111.2° | 109.5° |
| O11 | C17 | C16 | 109.3° | 109.5° |
| O11 | C17 | H24 | 110.1° | 109.7° |
| O9 | C20 | C19 | 109.1° | 109.5° |
| O9 | C20 | H28 | 109.6° | 109.5° |
| O9 | C20 | H27 | 109.5° | 109.5° |
| C20 | O9 | H29 | 109.5° | 114.0° |
| C20 | C19 | C18 | 110.5° | 109.5° |
| C20 | C19 | O8 | 111.3° | 109.5° |
| C20 | C19 | H26 | 108.2° | 109.5° |
| C19 | C20 | H28 | 109.6° | 109.4° |
| C19 | C20 | H27 | 109.6° | 109.5° |
| C18 | C17 | C16 | 109.6° | 109.0° |
| C17 | C18 | C19 | 111.7° | 109.2° |
| C17 | C18 | O10 | 108.2° | 109.5° |
| C18 | C17 | H24 | 108.5° | 109.5° |
| C17 | C18 | H25 | 109.4° | 109.5° |
| C17 | C16 | C38 | 108.9° | 109.6° |
| C17 | C16 | C15 | 107.2° | 109.2° |
| C17 | C16 | H23 | 107.9° | 109.5° |
| C16 | C17 | H24 | 108.2° | 109.6° |
| C19 | C18 | O10 | 106.5° | 109.5° |
| C18 | C19 | O8 | 108.7° | 109.4° |
| C19 | C18 | H25 | 109.3° | 109.5° |
| C18 | C19 | H26 | 107.9° | 109.5° |
| O10 | C18 | H25 | 111.7° | 109.6° |
| C18 | O10 | H30 | 109.5° | 114.0° |
| O28 | C48 | C47 | 109.9° | 109.5° |
| O28 | C48 | H70 | 109.4° | 109.5° |
| O28 | C48 | H71 | 109.4° | 109.4° |
| C48 | O28 | H72 | 109.5° | 114.0° |
| O29 | C47 | C48 | 109.4° | 109.4° |
| O29 | C47 | C46 | 108.9° | 109.5° |
| O29 | C47 | H69 | 110.6° | 109.5° |
| C47 | O29 | H73 | 109.5° | 114.0° |
| C19 | O8 | C15 | 104.6° | 114.1° |
| O8 | C19 | H26 | 110.2° | 109.5° |
| O34 | C51 | O33 | 120.2° | 120.0° |
| O34 | C51 | C41 | 119.9° | 120.0° |
| O8 | C15 | C16 | 109.6° | 109.3° |
| O8 | C15 | O7 | 109.6° | 109.5° |
| O8 | C15 | H22 | 108.7° | 109.5° |
| C48 | C47 | C46 | 110.0° | 109.5° |
| C48 | C47 | H69 | 109.0° | 109.5° |
| C47 | C48 | H70 | 109.4° | 109.4° |
| C47 | C48 | H71 | 109.4° | 109.5° |
| C16 | C38 | C39 | 115.1° | 109.5° |
| C38 | C16 | C15 | 116.6° | 109.5° |
| C38 | C16 | H23 | 108.0° | 109.5° |
| C16 | C38 | H58 | 108.1° | 109.5° |
| C16 | C38 | H59 | 108.0° | 109.4° |
| C38 | C39 | C40 | 117.9° | 120.0° |
| C38 | C39 | O25 | 120.9° | 120.0° |
| C39 | C38 | H58 | 108.0° | 109.5° |
| C39 | C38 | H59 | 108.1° | 109.5° |
| C16 | C15 | O7 | 114.4° | 109.5° |
| C15 | C16 | H23 | 108.0° | 109.5° |
| C16 | C15 | H22 | 106.6° | 109.5° |
| C47 | C46 | O30 | 108.6° | 109.5° |
| C47 | C46 | C45 | 111.4° | 109.5° |
| C47 | C46 | H68 | 108.5° | 109.5° |
| C46 | C47 | H69 | 108.9° | 109.5° |
| O33 | C51 | C41 | 119.8° | 120.0° |
| C51 | O33 | H84 | 109.5° | 117.0° |
| C51 | C41 | O27 | 110.3° | 109.5° |
| C51 | C41 | O26 | 105.8° | 109.5° |
| C51 | C41 | C42 | 108.9° | 109.5° |
| O31 | C49 | C50 | 119.2° | 120.0° |
| O31 | C49 | N2 | 120.7° | 120.0° |
| O30 | C46 | C45 | 109.8° | 109.5° |
| O30 | C46 | H68 | 110.2° | 109.4° |
| C46 | O30 | H74 | 109.5° | 114.0° |
| C15 | O7 | C12 | 113.6° | 114.0° |
| O7 | C15 | H22 | 107.7° | 109.5° |
| C40 | C39 | O25 | 121.1° | 120.0° |
| C39 | C40 | H60 | 109.5° | 109.5° |
| C39 | C40 | H62 | 109.5° | 109.5° |
| C39 | C40 | H61 | 109.5° | 109.5° |
| C46 | C45 | O27 | 110.1° | 109.5° |
| C46 | C45 | C44 | 110.8° | 109.5° |
| C46 | C45 | H67 | 108.5° | 109.5° |
| C45 | C46 | H68 | 108.4° | 109.5° |
| C50 | C49 | N2 | 120.1° | 120.0° |
| C49 | C50 | H77 | 109.5° | 109.5° |
| C49 | C50 | H76 | 109.5° | 109.5° |
| C49 | C50 | H78 | 109.5° | 109.5° |
| C49 | N2 | C44 | 120.5° | 120.0° |
| C49 | N2 | H75 | 119.8° | 120.0° |
| C41 | O27 | C45 | 122.2° | 114.1° |
| O27 | C41 | O26 | 108.9° | 109.5° |
| O27 | C41 | C42 | 109.9° | 109.4° |
| O27 | C45 | C44 | 108.6° | 109.4° |
| O27 | C45 | H67 | 110.4° | 109.5° |
| O26 | C41 | C42 | 113.0° | 109.5° |
| C41 | O26 | C11 | 115.6° | 114.0° |
| C41 | C42 | C43 | 108.7° | 109.2° |
| C41 | C42 | H64 | 109.7° | 109.4° |
| C41 | C42 | H63 | 109.7° | 109.5° |
| O7 | C12 | C11 | 106.8° | 109.5° |
| O7 | C12 | C13 | 112.3° | 109.5° |
| O7 | C12 | H17 | 110.8° | 109.6° |
| C45 | C44 | N2 | 110.9° | 109.5° |
| C45 | C44 | C43 | 110.2° | 109.1° |
| C45 | C44 | H66 | 108.6° | 109.5° |
| C44 | C45 | H67 | 108.4° | 109.5° |
| N2 | C44 | C43 | 108.7° | 109.5° |
| N2 | C44 | H66 | 109.9° | 109.6° |
| C44 | N2 | H75 | 119.7° | 120.1° |
| C44 | C43 | C42 | 111.4° | 109.0° |
| C44 | C43 | O32 | 108.5° | 109.5° |
| C44 | C43 | H65 | 108.1° | 109.6° |
| C43 | C44 | H66 | 108.5° | 109.6° |
| O26 | C11 | C12 | 109.0° | 109.5° |
| O26 | C11 | C10 | 104.8° | 109.6° |
| O26 | C11 | H16 | 111.1° | 109.6° |
| C42 | C43 | O32 | 110.2° | 109.6° |
| C43 | C42 | H64 | 109.7° | 109.5° |
| C43 | C42 | H63 | 109.7° | 109.6° |
| C42 | C43 | H65 | 108.2° | 109.5° |
| O32 | C43 | H65 | 110.3° | 109.5° |
| C43 | O32 | H79 | 109.5° | 114.0° |
| C11 | C12 | C13 | 106.3° | 109.1° |
| C12 | C11 | C10 | 113.0° | 109.0° |
| C11 | C12 | H17 | 110.1° | 109.5° |
| C12 | C11 | H16 | 109.8° | 109.5° |
| C12 | C13 | C14 | 114.2° | 109.5° |
| C12 | C13 | O5 | 106.1° | 109.4° |
| C12 | C13 | H18 | 108.7° | 109.5° |
| C13 | C12 | H17 | 110.4° | 109.5° |
| C11 | C10 | O35 | 108.6° | 109.5° |
| C11 | C10 | C9 | 115.6° | 109.2° |
| C11 | C10 | H15 | 107.6° | 109.6° |
| C10 | C11 | H16 | 109.1° | 109.6° |
| C13 | C14 | O6 | 108.8° | 109.4° |
| C14 | C13 | O5 | 110.1° | 109.5° |
| C14 | C13 | H18 | 108.1° | 109.5° |
| C13 | C14 | H20 | 109.7° | 109.5° |
| C13 | C14 | H19 | 109.6° | 109.4° |
| O6 | C14 | H20 | 109.6° | 109.5° |
| O6 | C14 | H19 | 109.6° | 109.5° |
| C14 | O6 | H21 | 109.5° | 114.0° |
| C13 | O5 | C9 | 118.6° | 114.1° |
| O5 | C13 | H18 | 109.6° | 109.5° |
| O35 | C10 | C9 | 107.8° | 109.6° |
| O35 | C10 | H15 | 110.0° | 109.5° |
| C10 | O35 | H80 | 109.5° | 114.0° |
| C10 | C9 | O5 | 112.7° | 109.4° |
| C10 | C9 | O4 | 107.8° | 109.5° |
| C9 | C10 | H15 | 107.2° | 109.5° |
| C10 | C9 | H14 | 107.7° | 109.5° |
| O5 | C9 | O4 | 108.4° | 109.5° |
| O5 | C9 | H14 | 110.0° | 109.5° |
| C9 | O4 | C6 | 114.8° | 114.0° |
| O4 | C9 | H14 | 110.2° | 109.4° |
| O4 | C6 | C5 | 109.6° | 109.5° |
| O4 | C6 | C7 | 110.2° | 109.5° |
| O4 | C6 | H9 | 110.9° | 109.5° |
| O3 | C8 | C7 | 110.2° | 109.5° |
| O3 | C8 | H12 | 109.3° | 109.5° |
| O3 | C8 | H11 | 109.3° | 109.5° |
| C8 | O3 | H13 | 109.5° | 114.0° |
| C5 | C6 | C7 | 107.2° | 109.2° |
| C6 | C5 | O36 | 109.8° | 109.6° |
| C6 | C5 | C4 | 107.9° | 109.0° |
| C6 | C5 | H8 | 109.3° | 109.6° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C6 | C7 | C8 | 110.7° | 109.5° |
| C6 | C7 | O2 | 107.0° | 109.4° |
| C7 | C6 | H9 | 109.3° | 109.6° |
| C6 | C7 | H10 | 109.0° | 109.5° |
| O36 | C5 | C4 | 109.8° | 109.5° |
| O36 | C5 | H8 | 111.0° | 109.6° |
| C5 | O36 | H81 | 109.5° | 114.0° |
| C8 | C7 | O2 | 110.3° | 109.4° |
| C7 | C8 | H12 | 109.3° | 109.4° |
| C7 | C8 | H11 | 109.3° | 109.5° |
| C8 | C7 | H10 | 109.1° | 109.5° |
| C5 | C4 | C3 | 111.7° | 109.2° |
| C5 | C4 | O37 | 108.9° | 109.6° |
| C5 | C4 | H7 | 108.4° | 109.5° |
| C4 | C5 | H8 | 109.1° | 109.5° |
| C7 | O2 | C3 | 122.6° | 114.1° |
| O2 | C7 | H10 | 110.7° | 109.4° |
| C3 | C4 | O37 | 109.1° | 109.5° |
| C4 | C3 | O2 | 112.7° | 109.4° |
| C4 | C3 | O1 | 107.8° | 109.5° |
| C4 | C3 | H6 | 108.4° | 109.5° |
| C3 | C4 | H7 | 108.7° | 109.5° |
| O37 | C4 | H7 | 110.1° | 109.5° |
| C4 | O37 | H82 | 109.5° | 114.0° |
| O2 | C3 | O1 | 108.4° | 109.5° |
| O2 | C3 | H6 | 109.9° | 109.5° |
| C3 | O1 | C2 | 114.6° | 114.0° |
| O1 | C3 | H6 | 109.6° | 109.5° |
| O1 | C2 | C1 | 110.0° | 109.5° |
| O1 | C2 | H4 | 109.3° | 109.4° |
| O1 | C2 | H5 | 109.3° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H4 | 109.4° | 109.4° |
| C1 | C2 | H5 | 109.3° | 109.5° |
| C2 | C1 | N3 | 65.7° | 109.5° |
| C2 | C1 | C53 | 65.7° | 109.4° |
| H28 | C20 | H27 | 109.5° | 109.5° |
| H37 | C26 | H36 | 109.5° | 109.5° |
| H40 | C28 | H41 | 109.4° | 109.5° |
| H3 | C1 | N3 | 168.2° | 109.4° |
| H3 | C1 | C53 | 168.2° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H12 | C8 | H11 | 109.5° | 109.4° |
| H20 | C14 | H19 | 109.5° | 109.5° |
| H47 | C34 | H48 | 109.5° | 109.5° |
| H53 | C36 | H54 | 109.5° | 109.4° |
| H53 | C36 | H55 | 109.5° | 109.5° |
| H54 | C36 | H55 | 109.5° | 109.5° |
| H58 | C38 | H59 | 109.5° | 109.5° |
| H60 | C40 | H62 | 109.5° | 109.5° |
| H60 | C40 | H61 | 109.4° | 109.5° |
| H62 | C40 | H61 | 109.4° | 109.5° |
| H64 | C42 | H63 | 109.5° | 109.6° |
| H70 | C48 | H71 | 109.5° | 109.5° |
| H77 | C50 | H76 | 109.5° | 109.5° |
| H77 | C50 | H78 | 109.5° | 109.5° |
| H76 | C50 | H78 | 109.4° | 109.5° |
| N3 | C1 | C53 | 0.0° | 109.5° |
| C1 | N3 | C55 | 90.0° | 120.1° |
| C1 | N3 | H1 | 90.0° | 120.0° |
| C1 | C53 | O39 | 90.0° | 109.5° |
| C1 | C53 | C56 | 90.0° | 109.5° |
| C1 | C53 | H2 | 90.0° | 109.4° |
| O39 | C53 | C56 | 90.0° | 109.5° |
| O39 | C53 | H2 | 90.0° | 109.5° |
| C53 | O39 | H85 | 90.0° | 114.0° |
| N3 | C55 | O38 | 90.0° | 120.0° |
| N3 | C55 | C57 | 90.0° | 120.1° |
| C55 | N3 | H1 | 90.0° | 120.0° |
| O38 | C55 | C57 | 90.0° | 120.0° |
| C55 | C57 | C52 | 90.0° | 109.5° |
| C55 | C57 | H86 | 90.0° | 109.4° |
| C55 | C57 | H87 | 90.0° | 109.5° |
| C53 | C56 | C76 | 90.0° | 120.0° |
| C56 | C53 | H2 | 90.0° | 109.5° |
| C53 | C56 | H88 | 90.0° | 120.0° |
| C57 | C52 | C54 | 90.0° | 109.5° |
| C52 | C57 | H86 | 90.0° | 109.4° |
| C52 | C57 | H87 | 90.0° | 109.5° |
| C57 | C52 | H89 | 90.0° | 109.4° |
| C57 | C52 | H90 | 90.0° | 109.5° |
| C52 | C54 | C58 | 90.0° | 109.5° |
| C54 | C52 | H89 | 90.0° | 109.5° |
| C54 | C52 | H90 | 90.0° | 109.5° |
| C52 | C54 | H91 | 90.0° | 109.4° |
| C52 | C54 | H92 | 90.0° | 109.5° |
| C54 | C58 | C59 | 90.0° | 109.4° |
| C58 | C54 | H91 | 90.0° | 109.5° |
| C58 | C54 | H92 | 90.0° | 109.5° |
| C54 | C58 | H122 | 90.0° | 109.5° |
| C54 | C58 | H121 | 90.0° | 109.4° |
| C58 | C59 | C60 | 90.0° | 109.5° |
| C59 | C58 | H122 | 90.0° | 109.5° |
| C59 | C58 | H121 | 90.0° | 109.5° |
| C58 | C59 | H123 | 90.0° | 109.5° |
| C58 | C59 | H124 | 90.0° | 109.5° |
| C59 | C60 | C61 | 90.0° | 109.5° |
| C60 | C59 | H123 | 90.0° | 109.4° |
| C60 | C59 | H124 | 90.0° | 109.5° |
| C59 | C60 | H125 | 90.0° | 109.5° |
| C59 | C60 | H126 | 90.0° | 109.5° |
| C60 | C61 | C62 | 90.0° | 109.5° |
| C61 | C60 | H125 | 90.0° | 109.5° |
| C61 | C60 | H126 | 90.0° | 109.5° |
| C60 | C61 | H150 | 90.0° | 109.5° |
| C60 | C61 | H151 | 90.0° | 109.5° |
| C61 | C62 | C63 | 90.0° | 109.5° |
| C62 | C61 | H150 | 90.0° | 109.5° |
| C61 | C62 | H128 | 90.0° | 109.5° |
| C61 | C62 | H127 | 90.0° | 109.5° |
| C62 | C61 | H151 | 90.0° | 109.4° |
| C62 | C63 | C64 | 90.0° | 109.5° |
| C63 | C62 | H128 | 90.0° | 109.4° |
| C63 | C62 | H127 | 90.0° | 109.5° |
| C62 | C63 | H130 | 90.0° | 109.5° |
| C62 | C63 | H129 | 90.0° | 109.5° |
| C63 | C64 | C65 | 90.0° | 109.5° |
| C64 | C63 | H130 | 90.0° | 109.4° |
| C64 | C63 | H129 | 90.0° | 109.5° |
| C63 | C64 | H132 | 90.0° | 109.4° |
| C63 | C64 | H131 | 90.0° | 109.5° |
| C64 | C65 | C66 | 90.0° | 109.5° |
| C65 | C64 | H132 | 90.0° | 109.5° |
| C65 | C64 | H131 | 90.0° | 109.5° |
| C64 | C65 | H148 | 90.0° | 109.5° |
| C64 | C65 | H149 | 90.0° | 109.4° |
| C65 | C66 | C67 | 90.0° | 109.5° |
| C66 | C65 | H148 | 90.0° | 109.5° |
| C66 | C65 | H149 | 90.0° | 109.5° |
| C65 | C66 | H147 | 90.0° | 109.5° |
| C65 | C66 | H146 | 90.0° | 109.5° |
| C66 | C67 | C68 | 90.0° | 109.5° |
| C67 | C66 | H147 | 90.0° | 109.4° |
| C67 | C66 | H146 | 90.0° | 109.5° |
| C66 | C67 | H145 | 90.0° | 109.5° |
| C66 | C67 | H152 | 90.0° | 109.5° |
| C67 | C68 | C69 | 90.0° | 109.5° |
| C68 | C67 | H145 | 90.0° | 109.4° |
| C67 | C68 | H144 | 90.0° | 109.5° |
| C67 | C68 | H143 | 90.0° | 109.5° |
| C68 | C67 | H152 | 90.0° | 109.5° |
| C68 | C69 | C70 | 90.0° | 109.5° |
| C69 | C68 | H144 | 90.0° | 109.5° |
| C69 | C68 | H143 | 90.0° | 109.5° |
| C68 | C69 | H153 | 90.0° | 109.5° |
| C68 | C69 | H154 | 90.0° | 109.4° |
| C69 | C70 | C71 | 90.0° | 109.5° |
| C70 | C69 | H153 | 90.0° | 109.5° |
| C69 | C70 | H142 | 90.0° | 109.5° |
| C69 | C70 | H141 | 90.0° | 109.5° |
| C70 | C69 | H154 | 90.0° | 109.4° |
| C70 | C71 | C72 | 90.0° | 109.5° |
| C71 | C70 | H142 | 90.0° | 109.4° |
| C71 | C70 | H141 | 90.0° | 109.5° |
| C70 | C71 | H140 | 90.0° | 109.5° |
| C70 | C71 | H139 | 90.0° | 109.5° |
| C71 | C72 | C73 | 90.0° | 109.5° |
| C72 | C71 | H140 | 90.0° | 109.4° |
| C72 | C71 | H139 | 90.0° | 109.5° |
| C71 | C72 | H138 | 90.0° | 109.4° |
| C71 | C72 | H137 | 90.0° | 109.5° |
| C72 | C73 | C74 | 90.0° | 109.5° |
| C73 | C72 | H138 | 90.0° | 109.5° |
| C73 | C72 | H137 | 90.0° | 109.5° |
| C72 | C73 | H136 | 90.0° | 109.5° |
| C72 | C73 | H135 | 90.0° | 109.4° |
| C73 | C74 | C75 | 90.0° | 109.5° |
| C74 | C73 | H136 | 90.0° | 109.5° |
| C74 | C73 | H135 | 90.0° | 109.5° |
| C73 | C74 | H134 | 90.0° | 109.5° |
| C73 | C74 | H133 | 90.0° | 109.5° |
| C75 | C74 | H134 | 90.0° | 109.4° |
| C75 | C74 | H133 | 90.0° | 109.5° |
| C74 | C75 | H155 | 90.0° | 109.5° |
| C74 | C75 | H157 | 90.0° | 109.5° |
| C74 | C75 | H156 | 90.0° | 109.5° |
| C56 | C76 | C77 | 90.0° | 120.0° |
| C76 | C56 | H88 | 90.0° | 120.0° |
| C56 | C76 | H93 | 90.0° | 120.0° |
| C76 | C77 | C78 | 90.0° | 109.5° |
| C77 | C76 | H93 | 90.0° | 120.0° |
| C76 | C77 | H95 | 90.0° | 109.4° |
| C76 | C77 | H94 | 90.0° | 109.4° |
| C77 | C78 | C79 | 90.0° | 109.5° |
| C78 | C77 | H95 | 90.0° | 109.5° |
| C78 | C77 | H94 | 90.0° | 109.5° |
| C77 | C78 | H96 | 90.0° | 109.5° |
| C77 | C78 | H97 | 90.0° | 109.5° |
| C78 | C79 | C80 | 90.0° | 109.5° |
| C79 | C78 | H96 | 90.0° | 109.5° |
| C79 | C78 | H97 | 90.0° | 109.5° |
| C78 | C79 | H98 | 90.0° | 109.5° |
| C78 | C79 | H99 | 90.0° | 109.5° |
| C79 | C80 | C81 | 90.0° | 109.5° |
| C80 | C79 | H98 | 90.0° | 109.5° |
| C80 | C79 | H99 | 90.0° | 109.4° |
| C79 | C80 | H100 | 90.0° | 109.5° |
| C79 | C80 | H101 | 90.0° | 109.4° |
| C80 | C81 | C82 | 90.0° | 109.5° |
| C81 | C80 | H100 | 90.0° | 109.4° |
| C81 | C80 | H101 | 90.0° | 109.5° |
| C80 | C81 | H102 | 90.0° | 109.4° |
| C80 | C81 | H103 | 90.0° | 109.5° |
| C81 | C82 | C83 | 90.0° | 109.5° |
| C82 | C81 | H102 | 90.0° | 109.5° |
| C82 | C81 | H103 | 90.0° | 109.5° |
| C81 | C82 | H104 | 90.0° | 109.5° |
| C81 | C82 | H105 | 90.0° | 109.5° |
| C82 | C83 | C84 | 90.0° | 109.5° |
| C83 | C82 | H104 | 90.0° | 109.5° |
| C83 | C82 | H105 | 90.0° | 109.4° |
| C82 | C83 | H107 | 90.0° | 109.5° |
| C82 | C83 | H106 | 90.0° | 109.4° |
| C83 | C84 | C85 | 90.0° | 109.5° |
| C84 | C83 | H107 | 90.0° | 109.5° |
| C84 | C83 | H106 | 90.0° | 109.5° |
| C83 | C84 | H109 | 90.0° | 109.5° |
| C83 | C84 | H108 | 90.0° | 109.5° |
| C84 | C85 | C86 | 90.0° | 109.5° |
| C85 | C84 | H109 | 90.0° | 109.5° |
| C85 | C84 | H108 | 90.0° | 109.4° |
| C84 | C85 | H114 | 90.0° | 109.5° |
| C84 | C85 | H110 | 90.0° | 109.4° |
| C85 | C86 | C87 | 90.0° | 109.5° |
| C86 | C85 | H114 | 90.0° | 109.5° |
| C86 | C85 | H110 | 90.0° | 109.5° |
| C85 | C86 | H111 | 90.0° | 109.5° |
| C85 | C86 | H112 | 90.0° | 109.5° |
| C86 | C87 | C88 | 90.0° | 109.5° |
| C87 | C86 | H111 | 90.0° | 109.5° |
| C87 | C86 | H112 | 90.0° | 109.5° |
| C86 | C87 | H115 | 90.0° | 109.5° |
| C86 | C87 | H113 | 90.0° | 109.5° |
| C87 | C88 | C89 | 90.0° | 109.5° |
| C88 | C87 | H115 | 90.0° | 109.5° |
| C88 | C87 | H113 | 90.0° | 109.4° |
| C87 | C88 | H118 | 90.0° | 109.5° |
| C87 | C88 | H116 | 90.0° | 109.4° |
| C89 | C88 | H118 | 90.0° | 109.5° |
| C89 | C88 | H116 | 90.0° | 109.5° |
| C88 | C89 | H117 | 90.0° | 109.4° |
| C88 | C89 | H119 | 90.0° | 109.5° |
| C88 | C89 | H120 | 90.0° | 109.5° |
| H86 | C57 | H87 | 90.0° | 109.5° |
| H89 | C52 | H90 | 90.0° | 109.4° |
| H91 | C54 | H92 | 90.0° | 109.5° |
| H95 | C77 | H94 | 90.0° | 109.4° |
| H96 | C78 | H97 | 90.0° | 109.4° |
| H98 | C79 | H99 | 90.0° | 109.4° |
| H100 | C80 | H101 | 90.0° | 109.4° |
| H102 | C81 | H103 | 90.0° | 109.4° |
| H104 | C82 | H105 | 90.0° | 109.5° |
| H107 | C83 | H106 | 90.0° | 109.5° |
| H109 | C84 | H108 | 90.0° | 109.5° |
| H114 | C85 | H110 | 90.0° | 109.5° |
| H111 | C86 | H112 | 90.0° | 109.4° |
| H115 | C87 | H113 | 90.0° | 109.5° |
| H118 | C88 | H116 | 90.0° | 109.4° |
| H117 | C89 | H119 | 90.0° | 109.5° |
| H117 | C89 | H120 | 90.0° | 109.5° |
| H119 | C89 | H120 | 90.0° | 109.5° |
| H122 | C58 | H121 | 90.0° | 109.5° |
| H123 | C59 | H124 | 90.0° | 109.5° |
| H125 | C60 | H126 | 90.0° | 109.4° |
| H150 | C61 | H151 | 90.0° | 109.5° |
| H128 | C62 | H127 | 90.0° | 109.5° |
| H130 | C63 | H129 | 90.0° | 109.5° |
| H132 | C64 | H131 | 90.0° | 109.4° |
| H148 | C65 | H149 | 90.0° | 109.5° |
| H147 | C66 | H146 | 90.0° | 109.5° |
| H145 | C67 | H152 | 90.0° | 109.5° |
| H144 | C68 | H143 | 90.0° | 109.4° |
| H153 | C69 | H154 | 90.0° | 109.5° |
| H142 | C70 | H141 | 90.0° | 109.5° |
| H140 | C71 | H139 | 90.0° | 109.5° |
| H138 | C72 | H137 | 90.0° | 109.4° |
| H136 | C73 | H135 | 90.0° | 109.5° |
| H134 | C74 | H133 | 90.0° | 109.5° |
| H155 | C75 | H157 | 90.0° | 109.5° |
| H155 | C75 | H156 | 90.0° | 109.5° |
| H157 | C75 | H156 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C29 | C28 | C30 | 118.8° | 119.9° |
| O21 | C29 | C28 | H42 | 121.4° | 120.2° |
| O21 | C29 | C30 | H42 | 122.5° | 120.3° |
| O21 | C29 | C28 | C27 | 178.1° | 62.9° |
| O21 | C29 | C30 | N1 | 62.8° | 177.2° |
| O21 | C29 | C30 | C31 | 169.3° | 62.9° |
| O21 | C29 | C28 | H40 | 61.4° | 57.0° |
| O21 | C29 | C28 | H41 | 57.6° | 177.2° |
| O21 | C29 | C30 | H43 | 52.6° | 57.0° |
| O22 | C37 | C27 | C28 | 27.8° | 129.6° |
| O22 | C37 | O23 | C27 | 179.2° | 180.0° |
| O22 | C37 | C27 | O15 | 147.9° | 9.6° |
| O22 | C37 | C27 | O16 | 92.2° | 110.4° |
| O22 | C37 | O23 | H83 | 0.0° | 0.0° |
| C28 | C29 | C30 | H42 | 119.9° | 119.8° |
| C29 | C28 | C27 | H40 | 120.5° | 119.9° |
| C29 | C28 | C27 | H41 | 120.5° | 119.9° |
| C29 | C28 | C27 | C37 | 82.0° | 177.6° |
| C28 | C29 | C30 | N1 | 179.6° | 62.9° |
| C29 | C28 | C27 | O15 | 160.2° | 62.4° |
| C29 | C28 | C27 | O16 | 35.6° | 57.6° |
| C28 | C29 | C30 | C31 | 51.8° | 57.0° |
| C29 | C28 | H40 | H41 | 118.5° | 120.2° |
| C28 | C29 | C30 | H43 | 65.0° | 176.9° |
| C28 | C29 | O21 | H56 | 127.8° | 60.0° |
| C30 | C29 | C28 | C27 | 59.3° | 57.0° |
| C29 | C30 | N1 | C35 | 81.2° | 85.0° |
| C29 | C30 | N1 | C31 | 127.0° | 119.7° |
| C29 | C30 | N1 | H43 | 114.6° | 120.1° |
| C29 | C30 | C31 | H43 | 116.8° | 119.9° |
| C29 | C30 | C31 | O16 | 22.3° | 57.6° |
| C29 | C30 | C31 | C32 | 103.0° | 177.6° |
| C30 | C29 | C28 | H40 | 179.9° | 176.9° |
| C30 | C29 | C28 | H41 | 61.1° | 62.9° |
| C29 | C30 | C31 | H44 | 139.7° | 62.3° |
| C29 | C30 | N1 | H52 | 98.7° | 95.0° |
| C30 | C29 | O21 | H56 | 9.0° | 179.6° |
| C28 | C27 | C37 | O23 | 153.1° | 50.4° |
| C28 | C27 | C37 | O15 | 120.1° | 120.0° |
| C28 | C27 | C37 | O16 | 120.0° | 120.0° |
| C28 | C27 | O15 | O16 | 124.5° | 120.0° |
| C28 | C27 | O15 | C23 | 70.5° | 175.6° |
| C28 | C27 | O16 | C31 | 4.7° | 61.2° |
| C27 | C28 | H40 | H41 | 118.5° | 120.1° |
| C27 | C28 | C29 | H42 | 60.4° | 176.9° |
| O20 | C35 | C36 | N1 | 179.5° | 180.0° |
| O20 | C35 | N1 | C30 | 0.6° | 0.0° |
| O20 | C35 | C36 | H53 | 0.0° | 90.0° |
| O20 | C35 | C36 | H54 | 120.0° | 30.0° |
| O20 | C35 | C36 | H55 | 120.0° | 150.0° |
| O20 | C35 | N1 | H52 | 179.4° | 180.0° |
| C36 | C35 | N1 | C30 | 179.9° | 180.0° |
| C35 | C36 | H53 | H54 | 120.0° | 120.1° |
| C35 | C36 | H53 | H55 | 120.0° | 120.0° |
| C35 | C36 | H54 | H55 | 120.0° | 120.0° |
| C36 | C35 | N1 | H52 | 0.1° | 0.0° |
| O23 | C37 | C27 | O15 | 32.9° | 170.4° |
| O23 | C37 | C27 | O16 | 86.9° | 69.6° |
| C37 | C27 | O15 | O16 | 117.3° | 120.0° |
| C37 | C27 | O15 | C23 | 171.3° | 55.6° |
| C37 | C27 | O16 | C31 | 113.4° | 178.8° |
| C37 | C27 | C28 | H40 | 38.5° | 62.5° |
| C37 | C27 | C28 | H41 | 157.5° | 57.7° |
| C27 | C37 | O23 | H83 | 179.2° | 180.0° |
| C35 | N1 | C30 | H52 | 180.0° | 180.0° |
| C35 | N1 | C30 | C31 | 151.7° | 155.3° |
| C35 | N1 | C30 | H43 | 33.4° | 35.1° |
| N1 | C35 | C36 | H53 | 179.5° | 90.0° |
| N1 | C35 | C36 | H54 | 60.5° | 150.0° |
| N1 | C35 | C36 | H55 | 59.5° | 30.0° |
| N1 | C30 | C31 | H43 | 119.1° | 120.2° |
| N1 | C30 | C31 | O16 | 146.5° | 62.3° |
| N1 | C30 | C31 | C32 | 21.1° | 57.7° |
| N1 | C30 | C29 | H42 | 59.7° | 56.9° |
| N1 | C30 | C31 | H44 | 96.2° | 177.7° |
| C27 | O15 | C23 | C24 | 114.8° | 95.8° |
| O15 | C27 | O16 | C31 | 129.2° | 58.8° |
| C27 | O15 | C23 | C22 | 122.8° | 144.6° |
| C27 | O15 | C23 | H33 | 4.0° | 24.4° |
| O15 | C27 | C28 | H40 | 79.3° | 57.5° |
| O15 | C27 | C28 | H41 | 39.7° | 177.7° |
| C27 | O16 | C31 | C30 | 2.0° | 61.2° |
| O16 | C27 | O15 | C23 | 54.0° | 64.4° |
| C27 | O16 | C31 | C32 | 131.3° | 178.9° |
| O16 | C27 | C28 | H40 | 156.1° | 177.5° |
| O16 | C27 | C28 | H41 | 84.9° | 62.3° |
| C27 | O16 | C31 | H44 | 114.3° | 58.8° |
| C25 | C26 | O13 | H37 | 119.8° | 120.0° |
| C25 | C26 | O13 | H36 | 119.8° | 119.9° |
| C26 | C25 | C24 | O12 | 117.7° | 120.0° |
| C26 | C25 | C24 | H35 | 121.4° | 120.1° |
| C26 | C25 | O12 | H35 | 120.7° | 120.1° |
| C26 | C25 | C24 | C23 | 171.1° | 177.6° |
| C26 | C25 | C24 | O14 | 51.3° | 57.7° |
| C26 | C25 | O12 | C21 | 179.4° | 178.9° |
| C26 | C25 | C24 | H34 | 69.4° | 62.5° |
| C25 | C26 | H37 | H36 | 120.5° | 120.0° |
| C25 | C26 | O13 | H38 | 180.0° | 180.0° |
| O13 | C26 | C25 | C24 | 80.7° | 175.0° |
| O13 | C26 | C25 | O12 | 36.2° | 65.0° |
| O13 | C26 | C25 | H35 | 158.1° | 55.0° |
| O13 | C26 | H37 | H36 | 120.5° | 120.0° |
| C30 | C31 | C32 | C33 | 70.6° | 175.1° |
| C30 | C31 | O16 | C32 | 129.3° | 120.0° |
| C30 | C31 | O16 | H44 | 116.3° | 120.0° |
| C30 | C31 | C32 | H44 | 117.3° | 120.0° |
| C30 | C31 | C32 | O19 | 168.6° | 55.1° |
| C31 | C30 | C29 | H42 | 68.1° | 176.9° |
| C30 | C31 | C32 | H45 | 49.2° | 64.9° |
| C31 | C30 | N1 | H52 | 28.3° | 24.7° |
| O15 | C23 | C24 | C25 | 69.7° | 62.9° |
| O15 | C23 | C24 | C22 | 121.6° | 119.8° |
| O15 | C23 | C24 | H33 | 119.7° | 120.3° |
| O15 | C23 | C24 | O14 | 170.8° | 177.2° |
| O15 | C23 | C22 | H33 | 120.1° | 120.2° |
| O15 | C23 | C22 | C21 | 73.1° | 63.0° |
| O15 | C23 | C22 | O24 | 44.7° | 57.0° |
| O15 | C23 | C22 | H32 | 166.0° | 177.1° |
| O15 | C23 | C24 | H34 | 49.7° | 57.0° |
| C24 | C25 | O12 | H35 | 119.5° | 120.0° |
| C25 | C24 | C23 | O14 | 119.5° | 119.9° |
| C25 | C24 | C23 | H34 | 119.4° | 119.9° |
| C25 | C24 | O14 | H34 | 119.4° | 120.1° |
| C25 | C24 | C23 | C22 | 51.9° | 57.0° |
| C24 | C25 | O12 | C21 | 60.8° | 61.1° |
| C25 | C24 | C23 | H33 | 170.5° | 176.8° |
| C24 | C25 | C26 | H37 | 159.5° | 55.0° |
| C24 | C25 | C26 | H36 | 39.1° | 65.0° |
| C25 | C24 | O14 | H39 | 180.0° | 60.3° |
| O12 | C25 | C24 | C23 | 53.5° | 57.6° |
| O12 | C25 | C24 | O14 | 66.4° | 62.3° |
| C25 | O12 | C21 | C22 | 58.1° | 61.1° |
| C25 | O12 | C21 | O11 | 174.2° | 178.9° |
| O12 | C25 | C24 | H34 | 173.0° | 177.5° |
| O12 | C25 | C26 | H37 | 83.6° | 174.9° |
| O12 | C25 | C26 | H36 | 156.1° | 54.9° |
| C25 | O12 | C21 | H31 | 58.4° | 58.8° |
| C23 | C24 | O14 | H34 | 120.0° | 120.1° |
| C24 | C23 | C22 | H33 | 118.9° | 119.8° |
| C24 | C23 | C22 | C21 | 47.9° | 56.9° |
| C24 | C23 | C22 | O24 | 165.7° | 176.9° |
| C24 | C23 | C22 | H32 | 73.0° | 63.0° |
| C23 | C24 | C25 | H35 | 67.5° | 62.3° |
| C23 | C24 | O14 | H39 | 59.4° | 180.0° |
| O14 | C24 | C23 | C22 | 67.6° | 63.0° |
| O14 | C24 | C23 | H33 | 51.0° | 56.9° |
| O14 | C24 | C25 | H35 | 172.7° | 177.7° |
| O18 | C33 | C34 | C32 | 119.9° | 119.9° |
| O18 | C33 | C34 | H46 | 120.5° | 120.0° |
| O18 | C33 | C32 | H46 | 120.5° | 120.0° |
| O18 | C33 | C34 | O17 | 31.0° | 65.1° |
| O18 | C33 | C32 | C31 | 149.7° | 55.1° |
| O18 | C33 | C32 | O19 | 89.7° | 175.1° |
| O18 | C33 | C32 | H45 | 29.9° | 64.9° |
| O18 | C33 | C34 | H47 | 89.0° | 175.0° |
| O18 | C33 | C34 | H48 | 150.9° | 55.0° |
| C34 | C33 | C32 | H46 | 119.8° | 120.0° |
| C33 | C34 | O17 | H47 | 119.9° | 119.9° |
| C33 | C34 | O17 | H48 | 120.0° | 120.1° |
| C34 | C33 | C32 | C31 | 90.6° | 175.1° |
| C34 | C33 | C32 | O19 | 30.1° | 64.9° |
| C34 | C33 | C32 | H45 | 149.7° | 55.0° |
| C33 | C34 | H47 | H48 | 120.1° | 120.0° |
| C33 | C34 | O17 | H49 | 180.0° | 179.9° |
| C34 | C33 | O18 | H50 | 180.0° | 60.0° |
| C32 | C33 | C34 | O17 | 88.9° | 175.0° |
| C33 | C32 | C31 | O16 | 56.6° | 65.0° |
| C33 | C32 | C31 | O19 | 120.8° | 120.0° |
| C33 | C32 | C31 | H45 | 119.8° | 120.1° |
| C33 | C32 | O19 | H45 | 118.3° | 120.0° |
| C33 | C32 | C31 | H44 | 172.1° | 55.1° |
| C32 | C33 | C34 | H47 | 151.1° | 55.1° |
| C32 | C33 | C34 | H48 | 31.1° | 64.9° |
| C32 | C33 | O18 | H50 | 58.5° | 60.0° |
| C33 | C32 | O19 | H51 | 180.0° | 60.0° |
| O17 | C34 | C33 | H46 | 151.4° | 55.0° |
| O17 | C34 | H47 | H48 | 120.1° | 120.0° |
| O16 | C31 | C32 | H44 | 115.5° | 120.0° |
| O16 | C31 | C32 | O19 | 64.2° | 175.0° |
| O16 | C31 | C32 | H45 | 176.4° | 55.1° |
| O16 | C31 | C30 | H43 | 94.5° | 177.5° |
| C23 | C22 | C21 | O12 | 46.5° | 57.5° |
| C23 | C22 | C21 | O24 | 117.9° | 120.0° |
| C23 | C22 | C21 | H32 | 120.5° | 119.9° |
| C23 | C22 | C21 | O11 | 169.5° | 177.5° |
| C23 | C22 | O24 | H32 | 119.8° | 120.1° |
| C22 | C23 | C24 | H34 | 171.3° | 176.9° |
| C23 | C22 | C21 | H31 | 71.2° | 62.4° |
| C23 | C22 | O24 | H57 | 180.0° | 175.1° |
| C31 | C32 | O19 | H45 | 118.0° | 120.0° |
| C31 | C32 | C33 | H46 | 29.3° | 64.9° |
| C32 | C31 | C30 | H43 | 140.2° | 62.5° |
| C31 | C32 | O19 | H51 | 56.2° | 60.0° |
| O19 | C32 | C33 | H46 | 149.9° | 55.1° |
| O19 | C32 | C31 | H44 | 51.3° | 64.9° |
| O12 | C21 | C22 | O11 | 123.1° | 120.0° |
| O12 | C21 | C22 | H31 | 117.6° | 119.9° |
| O12 | C21 | O11 | H31 | 116.7° | 120.0° |
| O12 | C21 | C22 | O24 | 164.4° | 177.5° |
| O12 | C21 | O11 | C17 | 62.1° | 65.1° |
| O12 | C21 | C22 | H32 | 74.0° | 62.4° |
| C21 | O12 | C25 | H35 | 58.7° | 58.8° |
| C22 | C21 | O11 | H31 | 119.0° | 120.0° |
| C21 | C22 | O24 | H32 | 120.5° | 120.1° |
| C22 | C21 | O11 | C17 | 62.1° | 175.0° |
| C21 | C22 | C23 | H33 | 166.8° | 176.8° |
| C21 | C22 | O24 | H57 | 60.3° | 65.1° |
| O11 | C21 | C22 | O24 | 72.5° | 62.5° |
| C21 | O11 | C17 | C18 | 108.7° | 90.0° |
| C21 | O11 | C17 | C16 | 130.3° | 150.5° |
| C21 | O11 | C17 | H24 | 11.5° | 30.2° |
| O11 | C21 | C22 | H32 | 49.0° | 57.6° |
| O24 | C22 | C23 | H33 | 75.4° | 63.2° |
| O24 | C22 | C21 | H31 | 46.8° | 57.6° |
| O11 | C17 | C18 | C16 | 120.9° | 119.8° |
| O11 | C17 | C18 | H24 | 121.2° | 120.3° |
| O11 | C17 | C16 | H24 | 119.9° | 120.3° |
| O11 | C17 | C18 | C19 | 69.0° | 176.8° |
| O11 | C17 | C18 | O10 | 174.1° | 63.3° |
| O11 | C17 | C16 | C38 | 38.8° | 56.9° |
| O11 | C17 | C16 | C15 | 88.2° | 176.9° |
| O11 | C17 | C16 | H23 | 155.8° | 63.3° |
| O11 | C17 | C18 | H25 | 52.1° | 56.9° |
| C17 | O11 | C21 | H31 | 178.9° | 55.0° |
| O9 | C20 | C19 | H28 | 119.9° | 120.0° |
| O9 | C20 | C19 | H27 | 119.9° | 120.0° |
| O9 | C20 | C19 | C18 | 93.0° | 175.0° |
| O9 | C20 | C19 | O8 | 146.2° | 65.1° |
| O9 | C20 | C19 | H26 | 25.0° | 55.0° |
| O9 | C20 | H28 | H27 | 120.2° | 120.0° |
| C20 | C19 | C18 | C17 | 118.3° | 177.6° |
| C20 | C19 | C18 | O8 | 122.4° | 120.0° |
| C20 | C19 | C18 | H26 | 118.1° | 120.0° |
| C20 | C19 | C18 | O10 | 123.7° | 62.5° |
| C20 | C19 | O8 | H26 | 120.1° | 120.1° |
| C20 | C19 | O8 | C15 | 175.4° | 178.8° |
| C20 | C19 | C18 | H25 | 2.9° | 57.7° |
| C19 | C20 | H28 | H27 | 120.2° | 120.0° |
| C19 | C20 | O9 | H29 | 180.0° | 180.0° |
| C18 | C17 | C16 | H24 | 118.1° | 119.8° |
| C17 | C18 | C19 | O10 | 118.0° | 119.9° |
| C17 | C18 | C19 | H25 | 121.2° | 119.9° |
| C17 | C18 | O10 | H25 | 120.5° | 120.2° |
| C17 | C18 | C19 | O8 | 4.0° | 57.6° |
| C18 | C17 | C16 | C38 | 160.8° | 63.0° |
| C18 | C17 | C16 | C15 | 33.8° | 57.0° |
| C18 | C17 | C16 | H23 | 82.2° | 176.8° |
| C17 | C18 | C19 | H26 | 123.5° | 62.4° |
| C17 | C18 | O10 | H30 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 51.9° | 57.0° |
| C16 | C17 | C18 | O10 | 65.0° | 176.9° |
| C17 | C16 | C15 | O8 | 29.7° | 57.7° |
| C17 | C16 | C38 | C15 | 121.4° | 119.8° |
| C17 | C16 | C38 | H23 | 116.9° | 120.2° |
| C17 | C16 | C38 | C39 | 177.4° | 169.4° |
| C17 | C16 | C15 | H23 | 116.0° | 119.9° |
| C17 | C16 | C15 | O7 | 153.2° | 177.6° |
| C16 | C17 | C18 | H25 | 173.0° | 62.9° |
| C17 | C16 | C15 | H22 | 87.8° | 62.3° |
| C17 | C16 | C38 | H58 | 61.8° | 49.4° |
| C17 | C16 | C38 | H59 | 56.5° | 70.6° |
| C19 | C18 | O10 | H25 | 119.2° | 120.1° |
| C18 | C19 | O8 | H26 | 118.1° | 120.0° |
| C18 | C19 | O8 | C15 | 62.7° | 61.2° |
| C19 | C18 | C17 | H24 | 169.8° | 62.9° |
| C18 | C19 | C20 | H28 | 27.0° | 65.0° |
| C18 | C19 | C20 | H27 | 147.1° | 55.0° |
| C19 | C18 | O10 | H30 | 59.8° | 60.3° |
| O10 | C18 | C19 | O8 | 114.0° | 177.5° |
| O10 | C18 | C17 | H24 | 52.9° | 57.0° |
| O10 | C18 | C19 | H26 | 5.6° | 57.5° |
| O28 | C48 | C47 | O29 | 59.4° | 65.0° |
| O28 | C48 | C47 | H70 | 120.1° | 120.0° |
| O28 | C48 | C47 | H71 | 120.1° | 120.0° |
| O28 | C48 | C47 | C46 | 60.3° | 175.0° |
| O28 | C48 | C47 | H69 | 179.6° | 55.0° |
| O28 | C48 | H70 | H71 | 119.8° | 120.0° |
| O29 | C47 | C48 | C46 | 119.6° | 120.0° |
| O29 | C47 | C48 | H69 | 121.0° | 120.0° |
| O29 | C47 | C46 | H69 | 120.7° | 120.0° |
| O29 | C47 | C46 | O30 | 49.3° | 69.2° |
| O29 | C47 | C46 | C45 | 71.8° | 50.8° |
| O29 | C47 | C46 | H68 | 169.0° | 170.8° |
| O29 | C47 | C48 | H70 | 179.4° | 175.0° |
| O29 | C47 | C48 | H71 | 60.7° | 55.0° |
| C19 | O8 | C15 | C16 | 84.6° | 61.2° |
| C19 | O8 | C15 | O7 | 149.1° | 178.8° |
| O8 | C19 | C18 | H25 | 125.2° | 62.3° |
| O8 | C19 | C20 | H28 | 93.8° | 54.9° |
| O8 | C19 | C20 | H27 | 26.3° | 174.9° |
| C19 | O8 | C15 | H22 | 31.6° | 58.7° |
| O34 | C51 | O33 | C41 | 179.3° | 180.0° |
| O34 | C51 | C41 | O27 | 18.1° | 115.0° |
| O34 | C51 | C41 | O26 | 99.5° | 5.0° |
| O34 | C51 | C41 | C42 | 138.8° | 125.1° |
| O34 | C51 | O33 | H84 | 0.0° | 0.0° |
| O8 | C15 | C16 | C38 | 92.5° | 62.4° |
| O8 | C15 | C16 | O7 | 123.5° | 120.0° |
| O8 | C15 | C16 | H22 | 117.5° | 120.0° |
| O8 | C15 | O7 | H22 | 118.2° | 120.1° |
| O8 | C15 | O7 | C12 | 68.4° | 75.0° |
| O8 | C15 | C16 | H23 | 145.7° | 177.5° |
| C15 | O8 | C19 | H26 | 55.4° | 58.8° |
| C48 | C47 | C46 | H69 | 119.4° | 120.0° |
| C48 | C47 | C46 | O30 | 70.6° | 50.8° |
| C48 | C47 | C46 | C45 | 168.4° | 170.8° |
| C48 | C47 | C46 | H68 | 49.1° | 69.2° |
| C47 | C48 | H70 | H71 | 119.8° | 120.0° |
| C47 | C48 | O28 | H72 | 180.0° | 180.0° |
| C48 | C47 | O29 | H73 | 179.0° | 60.0° |
| C16 | C38 | C39 | H58 | 120.8° | 120.0° |
| C16 | C38 | C39 | H59 | 120.8° | 120.0° |
| C38 | C16 | C15 | H23 | 121.8° | 120.1° |
| C38 | C16 | C15 | O7 | 31.0° | 57.6° |
| C16 | C38 | C39 | C40 | 128.9° | 175.5° |
| C16 | C38 | C39 | O25 | 49.5° | 4.6° |
| C38 | C16 | C17 | H24 | 81.1° | 177.2° |
| C38 | C16 | C15 | H22 | 150.0° | 177.6° |
| C16 | C38 | H58 | H59 | 117.4° | 120.0° |
| C39 | C38 | C16 | C15 | 56.0° | 70.8° |
| C38 | C39 | C40 | O25 | 178.3° | 179.9° |
| C39 | C38 | C16 | H23 | 65.8° | 49.2° |
| C39 | C38 | H58 | H59 | 117.4° | 120.0° |
| C38 | C39 | C40 | H60 | 178.3° | 5.0° |
| C38 | C39 | C40 | H62 | 61.7° | 115.0° |
| C38 | C39 | C40 | H61 | 58.3° | 125.0° |
| C16 | C15 | O7 | H22 | 118.4° | 120.0° |
| C16 | C15 | O7 | C12 | 168.1° | 165.1° |
| C15 | C16 | C17 | H24 | 151.9° | 62.8° |
| C15 | C16 | C38 | H58 | 176.8° | 169.2° |
| C15 | C16 | C38 | H59 | 64.8° | 49.2° |
| C47 | C46 | O30 | C45 | 122.0° | 120.0° |
| C47 | C46 | O30 | H68 | 118.7° | 120.0° |
| C47 | C46 | C45 | H68 | 119.3° | 120.0° |
| C47 | C46 | C45 | O27 | 3.0° | 50.9° |
| C47 | C46 | C45 | C44 | 123.2° | 170.8° |
| C47 | C46 | C45 | H67 | 117.9° | 69.2° |
| C46 | C47 | C48 | H70 | 59.8° | 55.0° |
| C46 | C47 | C48 | H71 | 179.6° | 65.0° |
| C46 | C47 | O29 | H73 | 58.7° | 59.9° |
| C47 | C46 | O30 | H74 | 180.0° | 60.0° |
| O33 | C51 | C41 | O27 | 161.2° | 64.9° |
| O33 | C51 | C41 | O26 | 81.1° | 175.0° |
| O33 | C51 | C41 | C42 | 40.6° | 55.0° |
| C51 | C41 | O27 | O26 | 115.7° | 120.0° |
| C51 | C41 | O27 | C42 | 120.0° | 120.0° |
| C51 | C41 | O27 | C45 | 97.6° | 178.8° |
| C51 | C41 | O26 | C42 | 119.0° | 120.1° |
| C51 | C41 | O26 | C11 | 179.5° | 168.5° |
| C51 | C41 | C42 | C43 | 58.9° | 177.6° |
| C51 | C41 | C42 | H64 | 178.8° | 62.5° |
| C51 | C41 | C42 | H63 | 61.0° | 57.6° |
| C41 | C51 | O33 | H84 | 179.3° | 180.0° |
| O31 | C49 | C50 | N2 | 179.6° | 179.9° |
| O31 | C49 | N2 | C44 | 0.6° | 6.2° |
| O31 | C49 | C50 | H77 | 0.0° | 27.6° |
| O31 | C49 | C50 | H76 | 120.0° | 147.6° |
| O31 | C49 | C50 | H78 | 120.0° | 92.4° |
| O31 | C49 | N2 | H75 | 179.4° | 173.9° |
| O30 | C46 | C45 | H68 | 120.4° | 119.9° |
| O30 | C46 | C45 | O27 | 117.4° | 69.2° |
| O30 | C46 | C45 | C44 | 2.8° | 50.8° |
| O30 | C46 | C45 | H67 | 121.7° | 170.8° |
| O30 | C46 | C47 | H69 | 170.0° | 170.8° |
| C15 | O7 | C12 | C11 | 148.6° | 145.0° |
| C15 | O7 | C12 | C13 | 95.3° | 95.4° |
| O7 | C15 | C16 | H23 | 90.8° | 62.5° |
| C15 | O7 | C12 | H17 | 28.7° | 24.8° |
| C40 | C39 | C38 | H58 | 110.3° | 55.5° |
| C40 | C39 | C38 | H59 | 8.0° | 64.5° |
| C39 | C40 | H60 | H62 | 120.1° | 120.0° |
| C39 | C40 | H60 | H61 | 120.0° | 120.0° |
| C39 | C40 | H62 | H61 | 120.0° | 120.0° |
| O25 | C39 | C38 | H58 | 71.4° | 124.6° |
| O25 | C39 | C38 | H59 | 170.3° | 115.4° |
| O25 | C39 | C40 | H60 | 0.0° | 175.0° |
| O25 | C39 | C40 | H62 | 120.0° | 65.0° |
| O25 | C39 | C40 | H61 | 120.0° | 55.1° |
| C46 | C45 | O27 | C41 | 159.6° | 178.8° |
| C46 | C45 | O27 | C44 | 121.5° | 120.0° |
| C46 | C45 | O27 | H67 | 119.8° | 120.0° |
| C46 | C45 | C44 | H67 | 119.0° | 120.0° |
| C46 | C45 | C44 | N2 | 59.8° | 62.5° |
| C46 | C45 | C44 | C43 | 179.7° | 177.6° |
| C46 | C45 | C44 | H66 | 61.0° | 57.6° |
| C45 | C46 | C47 | H69 | 48.9° | 69.2° |
| C45 | C46 | O30 | H74 | 58.0° | 60.0° |
| C50 | C49 | N2 | C44 | 179.8° | 173.9° |
| C49 | C50 | H77 | H76 | 120.0° | 120.0° |
| C49 | C50 | H77 | H78 | 120.0° | 120.0° |
| C49 | C50 | H76 | H78 | 120.0° | 120.0° |
| C50 | C49 | N2 | H75 | 0.2° | 6.0° |
| C49 | N2 | C44 | C45 | 139.1° | 126.9° |
| C49 | N2 | C44 | H75 | 180.0° | 179.9° |
| C49 | N2 | C44 | C43 | 99.6° | 113.5° |
| C49 | N2 | C44 | H66 | 19.0° | 6.7° |
| N2 | C49 | C50 | H77 | 179.6° | 152.3° |
| N2 | C49 | C50 | H76 | 59.6° | 32.4° |
| N2 | C49 | C50 | H78 | 60.4° | 87.6° |
| O27 | C41 | O26 | C42 | 122.4° | 119.9° |
| C41 | O27 | C45 | C44 | 38.0° | 61.2° |
| O27 | C41 | O26 | C11 | 60.9° | 71.5° |
| O27 | C41 | C42 | C43 | 62.0° | 57.7° |
| O27 | C41 | C42 | H64 | 57.8° | 177.5° |
| O27 | C41 | C42 | H63 | 178.1° | 62.4° |
| C41 | O27 | C45 | H67 | 80.7° | 58.8° |
| C45 | O27 | C41 | O26 | 146.6° | 58.8° |
| C45 | O27 | C41 | C42 | 22.4° | 61.2° |
| O27 | C45 | C44 | H67 | 119.9° | 120.0° |
| O27 | C45 | C44 | N2 | 179.1° | 177.5° |
| O27 | C45 | C44 | C43 | 58.6° | 57.6° |
| O27 | C45 | C44 | H66 | 60.0° | 62.3° |
| O27 | C45 | C46 | H68 | 122.2° | 170.9° |
| O26 | C41 | C42 | C43 | 176.2° | 62.3° |
| C41 | O26 | C11 | C12 | 125.1° | 145.4° |
| C41 | O26 | C11 | C10 | 113.6° | 95.1° |
| C41 | O26 | C11 | H16 | 4.1° | 25.2° |
| O26 | C41 | C42 | H64 | 64.0° | 57.5° |
| O26 | C41 | C42 | H63 | 56.3° | 177.6° |
| C41 | C42 | C43 | C44 | 37.8° | 57.0° |
| C42 | C41 | O26 | C11 | 61.5° | 48.4° |
| C41 | C42 | C43 | H64 | 119.9° | 119.8° |
| C41 | C42 | C43 | H63 | 119.9° | 120.0° |
| C41 | C42 | C43 | O32 | 158.4° | 62.8° |
| C41 | C42 | H64 | H63 | 120.4° | 120.1° |
| C41 | C42 | C43 | H65 | 80.9° | 177.0° |
| O7 | C12 | C11 | O26 | 50.9° | 57.0° |
| O7 | C12 | C11 | C13 | 120.0° | 119.9° |
| O7 | C12 | C11 | H17 | 120.4° | 120.2° |
| O7 | C12 | C13 | H17 | 124.2° | 120.2° |
| O7 | C12 | C11 | C10 | 65.2° | 62.9° |
| O7 | C12 | C13 | C14 | 76.7° | 57.7° |
| O7 | C12 | C13 | O5 | 44.7° | 62.3° |
| O7 | C12 | C13 | H18 | 162.5° | 177.7° |
| O7 | C12 | C11 | H16 | 172.7° | 177.2° |
| C12 | O7 | C15 | H22 | 49.7° | 45.1° |
| C45 | C44 | N2 | C43 | 121.3° | 119.7° |
| C45 | C44 | N2 | H66 | 120.1° | 120.1° |
| C45 | C44 | C43 | H66 | 118.7° | 119.9° |
| C45 | C44 | C43 | C42 | 19.0° | 57.0° |
| C45 | C44 | C43 | O32 | 102.5° | 62.9° |
| C45 | C44 | C43 | H65 | 137.8° | 176.9° |
| C44 | C45 | C46 | H68 | 117.6° | 69.2° |
| C45 | C44 | N2 | H75 | 40.9° | 53.2° |
| N2 | C44 | C43 | H66 | 119.5° | 120.2° |
| N2 | C44 | C43 | C42 | 140.9° | 176.9° |
| N2 | C44 | C43 | O32 | 19.3° | 57.0° |
| N2 | C44 | C43 | H65 | 100.4° | 63.2° |
| N2 | C44 | C45 | H67 | 59.1° | 57.5° |
| C44 | C43 | C42 | O32 | 120.6° | 119.9° |
| C44 | C43 | C42 | H65 | 118.7° | 119.9° |
| C44 | C43 | O32 | H65 | 118.3° | 120.2° |
| C44 | C43 | C42 | H64 | 82.0° | 176.8° |
| C44 | C43 | C42 | H63 | 157.7° | 62.9° |
| C43 | C44 | C45 | H67 | 61.3° | 62.4° |
| C43 | C44 | N2 | H75 | 80.4° | 66.4° |
| C44 | C43 | O32 | H79 | 180.0° | 117.7° |
| O26 | C11 | C12 | C10 | 116.1° | 119.9° |
| O26 | C11 | C12 | H16 | 121.9° | 120.2° |
| O26 | C11 | C12 | C13 | 170.9° | 176.9° |
| O26 | C11 | C10 | H16 | 119.0° | 120.3° |
| O26 | C11 | C10 | O35 | 90.9° | 63.2° |
| O26 | C11 | C10 | C9 | 147.9° | 176.8° |
| O26 | C11 | C10 | H15 | 28.1° | 56.9° |
| O26 | C11 | C12 | H17 | 69.5° | 63.3° |
| C42 | C43 | O32 | H65 | 119.5° | 120.2° |
| C43 | C42 | H64 | H63 | 120.4° | 120.3° |
| C42 | C43 | C44 | H66 | 99.7° | 62.9° |
| C42 | C43 | O32 | H79 | 57.7° | 122.8° |
| O32 | C43 | C42 | H64 | 38.5° | 57.0° |
| O32 | C43 | C42 | H63 | 81.7° | 177.2° |
| O32 | C43 | C44 | H66 | 138.8° | 177.2° |
| C11 | C12 | C13 | H17 | 119.4° | 119.9° |
| C12 | C11 | C10 | H16 | 122.4° | 119.9° |
| C11 | C12 | C13 | C14 | 166.9° | 177.6° |
| C11 | C12 | C13 | O5 | 71.7° | 57.6° |
| C12 | C11 | C10 | O35 | 150.6° | 176.9° |
| C12 | C11 | C10 | C9 | 29.3° | 57.0° |
| C12 | C11 | C10 | H15 | 90.4° | 63.0° |
| C11 | C12 | C13 | H18 | 46.1° | 62.4° |
| C13 | C12 | C11 | C10 | 54.8° | 57.0° |
| C12 | C13 | C14 | O5 | 119.2° | 120.0° |
| C12 | C13 | C14 | H18 | 121.1° | 120.0° |
| C12 | C13 | C14 | O6 | 133.1° | 175.0° |
| C12 | C13 | O5 | H18 | 117.2° | 120.0° |
| C12 | C13 | O5 | C9 | 67.2° | 61.1° |
| C13 | C12 | C11 | H16 | 67.3° | 62.9° |
| C12 | C13 | C14 | H20 | 13.2° | 55.1° |
| C12 | C13 | C14 | H19 | 107.0° | 65.0° |
| C11 | C10 | O35 | C9 | 125.9° | 119.7° |
| C11 | C10 | O35 | H15 | 117.5° | 120.2° |
| C11 | C10 | C9 | H15 | 119.9° | 120.0° |
| C11 | C10 | C9 | O5 | 19.1° | 57.6° |
| C11 | C10 | C9 | O4 | 100.6° | 62.4° |
| C10 | C11 | C12 | H17 | 174.4° | 176.9° |
| C11 | C10 | C9 | H14 | 140.6° | 177.7° |
| C11 | C10 | O35 | H80 | 180.0° | 174.7° |
| C13 | C14 | O6 | H20 | 119.9° | 120.0° |
| C13 | C14 | O6 | H19 | 119.9° | 120.0° |
| C14 | C13 | O5 | H18 | 118.8° | 120.0° |
| C14 | C13 | O5 | C9 | 168.7° | 178.9° |
| C14 | C13 | C12 | H17 | 47.5° | 62.5° |
| C13 | C14 | H20 | H19 | 120.3° | 120.0° |
| C13 | C14 | O6 | H21 | 180.0° | 180.0° |
| O6 | C14 | C13 | O5 | 107.7° | 65.0° |
| O6 | C14 | C13 | H18 | 12.0° | 55.0° |
| O6 | C14 | H20 | H19 | 120.3° | 120.0° |
| C13 | O5 | C9 | C10 | 39.2° | 61.1° |
| C13 | O5 | C9 | O4 | 80.1° | 58.9° |
| O5 | C13 | C12 | H17 | 168.9° | 177.5° |
| O5 | C13 | C14 | H20 | 132.4° | 175.0° |
| O5 | C13 | C14 | H19 | 12.1° | 55.0° |
| C13 | O5 | C9 | H14 | 159.4° | 178.9° |
| O35 | C10 | C9 | H15 | 118.4° | 120.1° |
| O35 | C10 | C9 | O5 | 140.8° | 177.5° |
| O35 | C10 | C9 | O4 | 21.1° | 57.5° |
| O35 | C10 | C11 | H16 | 28.2° | 57.1° |
| O35 | C10 | C9 | H14 | 97.7° | 62.5° |
| C10 | C9 | O5 | O4 | 119.2° | 120.0° |
| C10 | C9 | O5 | H14 | 120.2° | 120.0° |
| C10 | C9 | O4 | H14 | 117.3° | 120.0° |
| C10 | C9 | O4 | C6 | 141.3° | 139.0° |
| C9 | C10 | C11 | H16 | 93.1° | 62.9° |
| C9 | C10 | O35 | H80 | 54.1° | 55.0° |
| O5 | C9 | O4 | H14 | 120.4° | 120.0° |
| O5 | C9 | O4 | C6 | 96.4° | 101.1° |
| O5 | C9 | C10 | H15 | 100.9° | 62.4° |
| C9 | O5 | C13 | H18 | 49.9° | 58.9° |
| C9 | O4 | C6 | C5 | 117.9° | 141.0° |
| C9 | O4 | C6 | C7 | 124.4° | 99.3° |
| O4 | C9 | C10 | H15 | 139.5° | 177.6° |
| C9 | O4 | C6 | H9 | 3.2° | 20.9° |
| O4 | C6 | C5 | C7 | 119.6° | 119.9° |
| O4 | C6 | C5 | H9 | 121.9° | 120.1° |
| O4 | C6 | C7 | H9 | 122.2° | 120.2° |
| O4 | C6 | C5 | O36 | 55.5° | 63.2° |
| O4 | C6 | C7 | C8 | 59.1° | 62.5° |
| O4 | C6 | C5 | C4 | 175.1° | 176.8° |
| O4 | C6 | C7 | O2 | 179.2° | 177.5° |
| O4 | C6 | C5 | H8 | 66.4° | 57.1° |
| O4 | C6 | C7 | H10 | 61.0° | 57.6° |
| C6 | O4 | C9 | H14 | 24.0° | 19.0° |
| O3 | C8 | C7 | C6 | 41.9° | 171.2° |
| O3 | C8 | C7 | H12 | 120.1° | 120.0° |
| O3 | C8 | C7 | H11 | 120.1° | 120.1° |
| O3 | C8 | C7 | O2 | 76.3° | 68.8° |
| O3 | C8 | H12 | H11 | 119.7° | 120.1° |
| O3 | C8 | C7 | H10 | 161.9° | 51.1° |
| C5 | C6 | C7 | H9 | 118.6° | 120.0° |
| C6 | C5 | O36 | C4 | 118.5° | 119.6° |
| C6 | C5 | O36 | H8 | 120.9° | 120.3° |
| C5 | C6 | C7 | C8 | 178.3° | 177.6° |
| C6 | C5 | C4 | H8 | 118.6° | 119.9° |
| C5 | C6 | C7 | O2 | 61.5° | 57.6° |
| C6 | C5 | C4 | C3 | 54.7° | 56.9° |
| C6 | C5 | C4 | O37 | 175.3° | 176.9° |
| C6 | C5 | C4 | H7 | 65.0° | 63.0° |
| C5 | C6 | C7 | H10 | 58.2° | 62.3° |
| C6 | C5 | O36 | H81 | 180.0° | 179.6° |
| C7 | C6 | C5 | O36 | 175.2° | 176.9° |
| C6 | C7 | C8 | O2 | 118.2° | 119.9° |
| C6 | C7 | C8 | H10 | 120.0° | 120.1° |
| C7 | C6 | C5 | C4 | 65.2° | 57.0° |
| C6 | C7 | O2 | H10 | 118.7° | 120.0° |
| C6 | C7 | O2 | C3 | 52.7° | 61.1° |
| C7 | C6 | C5 | H8 | 53.2° | 62.8° |
| C6 | C7 | C8 | H12 | 78.2° | 51.2° |
| C6 | C7 | C8 | H11 | 162.0° | 68.7° |
| O36 | C5 | C4 | H8 | 121.8° | 120.2° |
| O36 | C5 | C4 | C3 | 174.4° | 176.9° |
| O36 | C5 | C4 | O37 | 65.1° | 63.1° |
| O36 | C5 | C4 | H7 | 54.6° | 57.0° |
| O36 | C5 | C6 | H9 | 66.4° | 56.9° |
| C8 | C7 | O2 | H10 | 120.9° | 120.0° |
| C8 | C7 | O2 | C3 | 173.2° | 178.9° |
| C8 | C7 | C6 | H9 | 63.1° | 57.6° |
| C7 | C8 | H12 | H11 | 119.6° | 119.9° |
| C7 | C8 | O3 | H13 | 180.0° | 180.0° |
| C5 | C4 | C3 | O37 | 120.4° | 120.0° |
| C5 | C4 | C3 | H7 | 119.6° | 119.9° |
| C5 | C4 | O37 | H7 | 118.7° | 120.1° |
| C5 | C4 | C3 | O2 | 40.9° | 57.6° |
| C5 | C4 | C3 | O1 | 160.5° | 177.6° |
| C5 | C4 | C3 | H6 | 80.9° | 62.4° |
| C4 | C5 | C6 | H9 | 53.2° | 63.0° |
| C4 | C5 | O36 | H81 | 61.5° | 60.0° |
| C5 | C4 | O37 | H82 | 180.0° | 179.7° |
| C7 | O2 | C3 | C4 | 42.7° | 61.1° |
| C7 | O2 | C3 | O1 | 162.0° | 178.9° |
| C7 | O2 | C3 | H6 | 78.3° | 58.9° |
| O2 | C7 | C6 | H9 | 57.1° | 62.3° |
| O2 | C7 | C8 | H12 | 163.6° | 171.2° |
| O2 | C7 | C8 | H11 | 43.8° | 51.2° |
| C3 | C4 | O37 | H7 | 119.2° | 120.1° |
| C4 | C3 | O2 | O1 | 119.3° | 120.0° |
| C4 | C3 | O2 | H6 | 121.0° | 120.0° |
| C4 | C3 | O1 | H6 | 117.8° | 120.0° |
| C4 | C3 | O1 | C2 | 175.8° | 175.0° |
| C3 | C4 | C5 | H8 | 63.9° | 62.9° |
| C3 | C4 | O37 | H82 | 57.9° | 60.0° |
| O37 | C4 | C3 | O2 | 161.3° | 177.5° |
| O37 | C4 | C3 | O1 | 79.1° | 62.5° |
| O37 | C4 | C3 | H6 | 39.5° | 57.6° |
| O37 | C4 | C5 | H8 | 56.7° | 57.0° |
| O2 | C3 | O1 | H6 | 119.9° | 120.0° |
| O2 | C3 | O1 | C2 | 61.9° | 65.0° |
| O2 | C3 | C4 | H7 | 78.7° | 62.4° |
| C3 | O2 | C7 | H10 | 65.9° | 58.9° |
| C3 | O1 | C2 | C1 | 103.8° | 180.0° |
| C3 | O1 | C2 | H4 | 136.2° | 60.0° |
| C3 | O1 | C2 | H5 | 16.3° | 60.0° |
| O1 | C3 | C4 | H7 | 40.9° | 57.6° |
| O1 | C2 | C1 | H4 | 120.1° | 119.9° |
| O1 | C2 | C1 | H5 | 120.1° | 120.0° |
| O1 | C2 | C1 | H3 | 158.1° | 175.0° |
| O1 | C2 | H4 | H5 | 119.8° | 120.0° |
| C2 | O1 | C3 | H6 | 58.1° | 55.0° |
| O1 | C2 | C1 | N3 | 10.2° | 65.0° |
| O1 | C2 | C1 | C53 | 10.2° | 55.1° |
| C2 | C1 | H3 | N3 | 63.7° | 120.1° |
| C2 | C1 | H3 | C53 | 63.7° | 120.0° |
| C1 | C2 | H4 | H5 | 119.8° | 120.0° |
| C2 | C1 | N3 | C53 | 90.0° | 120.0° |
| C2 | C1 | C53 | O39 | 90.0° | 60.0° |
| C2 | C1 | N3 | C55 | 90.0° | 155.0° |
| C2 | C1 | C53 | C56 | 90.0° | 180.0° |
| C2 | C1 | N3 | H1 | 90.0° | 25.0° |
| C2 | C1 | C53 | H2 | 90.0° | 60.0° |
| H15 | C10 | C11 | H16 | 147.1° | 177.2° |
| H15 | C10 | C9 | H14 | 20.7° | 57.7° |
| H15 | C10 | O35 | H80 | 62.5° | 65.2° |
| H18 | C13 | C12 | H17 | 73.3° | 57.5° |
| H18 | C13 | C14 | H20 | 107.8° | 64.9° |
| H18 | C13 | C14 | H19 | 131.9° | 175.0° |
| H23 | C16 | C17 | H24 | 35.9° | 57.0° |
| H23 | C16 | C15 | H22 | 28.2° | 57.5° |
| H23 | C16 | C38 | H58 | 55.0° | 70.8° |
| H23 | C16 | C38 | H59 | 173.4° | 169.2° |
| H24 | C17 | C18 | H25 | 69.0° | 177.2° |
| H25 | C18 | C19 | H26 | 115.3° | 177.7° |
| H25 | C18 | O10 | H30 | 59.5° | 59.8° |
| H26 | C19 | C20 | H28 | 144.9° | 175.0° |
| H26 | C19 | C20 | H27 | 94.9° | 65.0° |
| H28 | C20 | O9 | H29 | 60.1° | 60.0° |
| H27 | C20 | O9 | H29 | 60.1° | 60.0° |
| H32 | C22 | C23 | H33 | 45.9° | 56.8° |
| H32 | C22 | C21 | H31 | 168.3° | 177.7° |
| H32 | C22 | O24 | H57 | 60.2° | 55.0° |
| H33 | C23 | C24 | H34 | 70.0° | 63.3° |
| H34 | C24 | C25 | H35 | 52.1° | 57.6° |
| H34 | C24 | O14 | H39 | 60.6° | 59.9° |
| H35 | C25 | C26 | H37 | 38.3° | 65.1° |
| H35 | C25 | C26 | H36 | 82.1° | 174.9° |
| H37 | C26 | O13 | H38 | 60.1° | 60.0° |
| H36 | C26 | O13 | H38 | 60.2° | 60.1° |
| H40 | C28 | C29 | H42 | 60.1° | 63.2° |
| H41 | C28 | C29 | H42 | 179.1° | 57.0° |
| H3 | C1 | C2 | H4 | 38.1° | 65.1° |
| H3 | C1 | C2 | H5 | 81.8° | 55.0° |
| H3 | C1 | N3 | C53 | 90.0° | 119.9° |
| H3 | C1 | C53 | O39 | 90.0° | 60.0° |
| H3 | C1 | N3 | C55 | 90.0° | 35.0° |
| H3 | C1 | C53 | C56 | 90.0° | 60.0° |
| H3 | C1 | N3 | H1 | 90.0° | 145.1° |
| H3 | C1 | C53 | H2 | 90.0° | 180.0° |
| H4 | C2 | C1 | N3 | 130.3° | 54.9° |
| H4 | C2 | C1 | C53 | 130.3° | 175.0° |
| H5 | C2 | C1 | N3 | 109.8° | 175.0° |
| H5 | C2 | C1 | C53 | 109.8° | 65.0° |
| H6 | C3 | C4 | H7 | 159.5° | 177.7° |
| H7 | C4 | C5 | H8 | 176.4° | 177.2° |
| H7 | C4 | O37 | H82 | 61.3° | 60.1° |
| H8 | C5 | C6 | H9 | 171.7° | 177.2° |
| H8 | C5 | O36 | H81 | 59.1° | 60.1° |
| H9 | C6 | C7 | H10 | 176.9° | 177.7° |
| H12 | C8 | C7 | H10 | 41.7° | 68.9° |
| H12 | C8 | O3 | H13 | 59.9° | 60.0° |
| H11 | C8 | C7 | H10 | 78.0° | 171.2° |
| H11 | C8 | O3 | H13 | 59.9° | 59.9° |
| H17 | C12 | C11 | H16 | 52.3° | 57.0° |
| H42 | C29 | C30 | H43 | 175.1° | 63.3° |
| H42 | C29 | O21 | H56 | 112.1° | 60.2° |
| H45 | C32 | C33 | H46 | 90.5° | 175.1° |
| H45 | C32 | C31 | H44 | 68.1° | 175.1° |
| H45 | C32 | O19 | H51 | 61.8° | 180.0° |
| H46 | C33 | C34 | H47 | 31.5° | 65.0° |
| H46 | C33 | C34 | H48 | 88.6° | 175.0° |
| H46 | C33 | O18 | H50 | 60.7° | 180.0° |
| H20 | C14 | O6 | H21 | 60.1° | 60.0° |
| H19 | C14 | O6 | H21 | 60.1° | 60.0° |
| H43 | C30 | C31 | H44 | 22.8° | 57.5° |
| H43 | C30 | N1 | H52 | 146.6° | 144.9° |
| H47 | C34 | O17 | H49 | 60.0° | 60.0° |
| H48 | C34 | O17 | H49 | 60.1° | 60.0° |
| H53 | C36 | H54 | H55 | 120.0° | 120.0° |
| H60 | C40 | H62 | H61 | 120.0° | 120.0° |
| H64 | C42 | C43 | H65 | 159.3° | 63.2° |
| H63 | C42 | C43 | H65 | 39.0° | 57.0° |
| H65 | C43 | C44 | H66 | 19.1° | 57.0° |
| H65 | C43 | O32 | H79 | 61.7° | 2.6° |
| H66 | C44 | C45 | H67 | 180.0° | 177.6° |
| H66 | C44 | N2 | H75 | 161.0° | 173.4° |
| H67 | C45 | C46 | H68 | 1.3° | 50.8° |
| H68 | C46 | C47 | H69 | 70.3° | 50.8° |
| H68 | C46 | O30 | H74 | 61.3° | 179.9° |
| H69 | C47 | C48 | H70 | 59.6° | 65.0° |
| H69 | C47 | C48 | H71 | 60.3° | 175.0° |
| H69 | C47 | O29 | H73 | 61.0° | 180.0° |
| H70 | C48 | O28 | H72 | 59.9° | 60.0° |
| H71 | C48 | O28 | H72 | 59.9° | 60.0° |
| H77 | C50 | H76 | H78 | 120.0° | 120.0° |
| N3 | C1 | C53 | O39 | 90.0° | 179.9° |
| C1 | N3 | C55 | H1 | 90.0° | 180.0° |
| C1 | N3 | C55 | O38 | 90.0° | 0.0° |
| C1 | N3 | C55 | C57 | 90.0° | 180.0° |
| N3 | C1 | C53 | C56 | 90.0° | 59.9° |
| N3 | C1 | C53 | H2 | 90.0° | 60.0° |
| C1 | C53 | O39 | C56 | 90.0° | 120.0° |
| C1 | C53 | O39 | H2 | 90.0° | 120.0° |
| C53 | C1 | N3 | C55 | 90.0° | 85.0° |
| C1 | C53 | C56 | H2 | 90.0° | 120.0° |
| C1 | C53 | C56 | C76 | 90.0° | 119.9° |
| C53 | C1 | N3 | H1 | 90.0° | 95.0° |
| C1 | C53 | O39 | H85 | 90.0° | 60.0° |
| C1 | C53 | C56 | H88 | 90.0° | 60.0° |
| O39 | C53 | C56 | H2 | 90.0° | 120.0° |
| O39 | C53 | C56 | C76 | 90.0° | 120.0° |
| O39 | C53 | C56 | H88 | 90.0° | 60.0° |
| N3 | C55 | O38 | C57 | 90.0° | 179.9° |
| N3 | C55 | C57 | C52 | 90.0° | 180.0° |
| N3 | C55 | C57 | H86 | 90.0° | 60.1° |
| N3 | C55 | C57 | H87 | 90.0° | 60.0° |
| O38 | C55 | C57 | C52 | 90.0° | 0.1° |
| O38 | C55 | N3 | H1 | 90.0° | 179.9° |
| O38 | C55 | C57 | H86 | 90.0° | 120.0° |
| O38 | C55 | C57 | H87 | 90.0° | 120.0° |
| C55 | C57 | C52 | H86 | 90.0° | 119.9° |
| C55 | C57 | C52 | H87 | 90.0° | 120.1° |
| C55 | C57 | C52 | C54 | 90.0° | 180.0° |
| C57 | C55 | N3 | H1 | 90.0° | 0.0° |
| C55 | C57 | H86 | H87 | 90.0° | 120.0° |
| C55 | C57 | C52 | H89 | 90.0° | 60.0° |
| C55 | C57 | C52 | H90 | 90.0° | 59.9° |
| C53 | C56 | C76 | H88 | 90.0° | 180.0° |
| C53 | C56 | C76 | C77 | 90.0° | 180.0° |
| C56 | C53 | O39 | H85 | 90.0° | 180.0° |
| C53 | C56 | C76 | H93 | 90.0° | 0.0° |
| C57 | C52 | C54 | H89 | 90.0° | 120.0° |
| C57 | C52 | C54 | H90 | 90.0° | 120.0° |
| C57 | C52 | C54 | C58 | 90.0° | 180.0° |
| C52 | C57 | H86 | H87 | 90.0° | 120.0° |
| C57 | C52 | H89 | H90 | 90.0° | 120.0° |
| C57 | C52 | C54 | H91 | 90.0° | 60.0° |
| C57 | C52 | C54 | H92 | 90.0° | 60.0° |
| C52 | C54 | C58 | H91 | 90.0° | 120.0° |
| C52 | C54 | C58 | H92 | 90.0° | 120.0° |
| C52 | C54 | C58 | C59 | 90.0° | 180.0° |
| C54 | C52 | C57 | H86 | 90.0° | 60.0° |
| C54 | C52 | C57 | H87 | 90.0° | 60.0° |
| C54 | C52 | H89 | H90 | 90.0° | 120.0° |
| C52 | C54 | H91 | H92 | 90.0° | 120.0° |
| C52 | C54 | C58 | H122 | 90.0° | 60.0° |
| C52 | C54 | C58 | H121 | 90.0° | 60.1° |
| C54 | C58 | C59 | H122 | 90.0° | 120.0° |
| C54 | C58 | C59 | H121 | 90.0° | 119.9° |
| C54 | C58 | C59 | C60 | 90.0° | 180.0° |
| C58 | C54 | C52 | H89 | 90.0° | 60.0° |
| C58 | C54 | C52 | H90 | 90.0° | 60.0° |
| C58 | C54 | H91 | H92 | 90.0° | 120.0° |
| C54 | C58 | H122 | H121 | 90.0° | 120.0° |
| C54 | C58 | C59 | H123 | 90.0° | 60.0° |
| C54 | C58 | C59 | H124 | 90.0° | 60.0° |
| C58 | C59 | C60 | H123 | 90.0° | 120.0° |
| C58 | C59 | C60 | H124 | 90.0° | 120.0° |
| C58 | C59 | C60 | C61 | 90.0° | 180.0° |
| C59 | C58 | C54 | H91 | 90.0° | 60.0° |
| C59 | C58 | C54 | H92 | 90.0° | 60.0° |
| C59 | C58 | H122 | H121 | 90.0° | 120.0° |
| C58 | C59 | H123 | H124 | 90.0° | 120.0° |
| C58 | C59 | C60 | H125 | 90.0° | 60.0° |
| C58 | C59 | C60 | H126 | 90.0° | 60.0° |
| C59 | C60 | C61 | H125 | 90.0° | 120.0° |
| C59 | C60 | C61 | H126 | 90.0° | 120.0° |
| C59 | C60 | C61 | C62 | 90.0° | 180.0° |
| C60 | C59 | C58 | H122 | 90.0° | 60.0° |
| C60 | C59 | C58 | H121 | 90.0° | 60.1° |
| C60 | C59 | H123 | H124 | 90.0° | 120.0° |
| C59 | C60 | H125 | H126 | 90.0° | 120.0° |
| C59 | C60 | C61 | H150 | 90.0° | 60.0° |
| C59 | C60 | C61 | H151 | 90.0° | 60.1° |
| C60 | C61 | C62 | H150 | 90.0° | 120.1° |
| C60 | C61 | C62 | H151 | 90.0° | 120.0° |
| C60 | C61 | C62 | C63 | 90.0° | 180.0° |
| C61 | C60 | C59 | H123 | 90.0° | 60.0° |
| C61 | C60 | C59 | H124 | 90.0° | 60.0° |
| C61 | C60 | H125 | H126 | 90.0° | 120.0° |
| C60 | C61 | H150 | H151 | 90.0° | 120.0° |
| C60 | C61 | C62 | H128 | 90.0° | 60.0° |
| C60 | C61 | C62 | H127 | 90.0° | 60.0° |
| C61 | C62 | C63 | H128 | 90.0° | 120.0° |
| C61 | C62 | C63 | H127 | 90.0° | 120.0° |
| C61 | C62 | C63 | C64 | 90.0° | 180.0° |
| C62 | C61 | C60 | H125 | 90.0° | 60.0° |
| C62 | C61 | C60 | H126 | 90.0° | 60.0° |
| C62 | C61 | H150 | H151 | 90.0° | 119.9° |
| C61 | C62 | H128 | H127 | 90.0° | 120.0° |
| C61 | C62 | C63 | H130 | 90.0° | 60.0° |
| C61 | C62 | C63 | H129 | 90.0° | 60.0° |
| C62 | C63 | C64 | H130 | 90.0° | 120.0° |
| C62 | C63 | C64 | H129 | 90.0° | 120.0° |
| C62 | C63 | C64 | C65 | 90.0° | 180.0° |
| C63 | C62 | C61 | H150 | 90.0° | 60.0° |
| C63 | C62 | H128 | H127 | 90.0° | 120.0° |
| C62 | C63 | H130 | H129 | 90.0° | 120.0° |
| C62 | C63 | C64 | H132 | 90.0° | 60.0° |
| C62 | C63 | C64 | H131 | 90.0° | 60.0° |
| C63 | C62 | C61 | H151 | 90.0° | 60.0° |
| C63 | C64 | C65 | H132 | 90.0° | 120.0° |
| C63 | C64 | C65 | H131 | 90.0° | 120.0° |
| C63 | C64 | C65 | C66 | 90.0° | 180.0° |
| C64 | C63 | C62 | H128 | 90.0° | 60.0° |
| C64 | C63 | C62 | H127 | 90.0° | 60.0° |
| C64 | C63 | H130 | H129 | 90.0° | 120.0° |
| C63 | C64 | H132 | H131 | 90.0° | 120.0° |
| C63 | C64 | C65 | H148 | 90.0° | 60.0° |
| C63 | C64 | C65 | H149 | 90.0° | 60.0° |
| C64 | C65 | C66 | H148 | 90.0° | 120.0° |
| C64 | C65 | C66 | H149 | 90.0° | 119.9° |
| C64 | C65 | C66 | C67 | 90.0° | 180.0° |
| C65 | C64 | C63 | H130 | 90.0° | 60.0° |
| C65 | C64 | C63 | H129 | 90.0° | 60.0° |
| C65 | C64 | H132 | H131 | 90.0° | 120.0° |
| C64 | C65 | H148 | H149 | 90.0° | 119.9° |
| C64 | C65 | C66 | H147 | 90.0° | 60.0° |
| C64 | C65 | C66 | H146 | 90.0° | 60.0° |
| C65 | C66 | C67 | H147 | 90.0° | 120.0° |
| C65 | C66 | C67 | H146 | 90.0° | 120.0° |
| C65 | C66 | C67 | C68 | 90.0° | 180.0° |
| C66 | C65 | C64 | H132 | 90.0° | 60.0° |
| C66 | C65 | C64 | H131 | 90.0° | 60.0° |
| C66 | C65 | H148 | H149 | 90.0° | 120.0° |
| C65 | C66 | H147 | H146 | 90.0° | 120.0° |
| C65 | C66 | C67 | H145 | 90.0° | 60.0° |
| C65 | C66 | C67 | H152 | 90.0° | 60.0° |
| C66 | C67 | C68 | H145 | 90.0° | 120.0° |
| C66 | C67 | C68 | H152 | 90.0° | 120.0° |
| C66 | C67 | C68 | C69 | 90.0° | 180.0° |
| C67 | C66 | C65 | H148 | 90.0° | 60.0° |
| C67 | C66 | C65 | H149 | 90.0° | 60.0° |
| C67 | C66 | H147 | H146 | 90.0° | 120.0° |
| C66 | C67 | H145 | H152 | 90.0° | 120.0° |
| C66 | C67 | C68 | H144 | 90.0° | 60.0° |
| C66 | C67 | C68 | H143 | 90.0° | 60.0° |
| C67 | C68 | C69 | H144 | 90.0° | 120.0° |
| C67 | C68 | C69 | H143 | 90.0° | 120.0° |
| C67 | C68 | C69 | C70 | 90.0° | 180.0° |
| C68 | C67 | C66 | H147 | 90.0° | 60.0° |
| C68 | C67 | C66 | H146 | 90.0° | 60.0° |
| C68 | C67 | H145 | H152 | 90.0° | 120.0° |
| C67 | C68 | H144 | H143 | 90.0° | 120.0° |
| C67 | C68 | C69 | H153 | 90.0° | 60.0° |
| C67 | C68 | C69 | H154 | 90.0° | 60.1° |
| C68 | C69 | C70 | H153 | 90.0° | 120.1° |
| C68 | C69 | C70 | H154 | 90.0° | 119.9° |
| C68 | C69 | C70 | C71 | 90.0° | 180.0° |
| C69 | C68 | C67 | H145 | 90.0° | 60.0° |
| C69 | C68 | H144 | H143 | 90.0° | 120.0° |
| C68 | C69 | H153 | H154 | 90.0° | 120.0° |
| C68 | C69 | C70 | H142 | 90.0° | 60.0° |
| C68 | C69 | C70 | H141 | 90.0° | 60.0° |
| C69 | C68 | C67 | H152 | 90.0° | 60.0° |
| C69 | C70 | C71 | H142 | 90.0° | 120.0° |
| C69 | C70 | C71 | H141 | 90.0° | 120.0° |
| C69 | C70 | C71 | C72 | 90.0° | 180.0° |
| C70 | C69 | C68 | H144 | 90.0° | 60.0° |
| C70 | C69 | C68 | H143 | 90.0° | 60.0° |
| C70 | C69 | H153 | H154 | 90.0° | 119.9° |
| C69 | C70 | H142 | H141 | 90.0° | 120.0° |
| C69 | C70 | C71 | H140 | 90.0° | 60.0° |
| C69 | C70 | C71 | H139 | 90.0° | 60.0° |
| C70 | C71 | C72 | H140 | 90.0° | 120.0° |
| C70 | C71 | C72 | H139 | 90.0° | 120.0° |
| C70 | C71 | C72 | C73 | 90.0° | 180.0° |
| C71 | C70 | C69 | H153 | 90.0° | 59.9° |
| C71 | C70 | H142 | H141 | 90.0° | 120.0° |
| C70 | C71 | H140 | H139 | 90.0° | 120.0° |
| C70 | C71 | C72 | H138 | 90.0° | 60.0° |
| C70 | C71 | C72 | H137 | 90.0° | 60.0° |
| C71 | C70 | C69 | H154 | 90.0° | 60.0° |
| C71 | C72 | C73 | H138 | 90.0° | 120.0° |
| C71 | C72 | C73 | H137 | 90.0° | 120.0° |
| C71 | C72 | C73 | C74 | 90.0° | 180.0° |
| C72 | C71 | C70 | H142 | 90.0° | 60.0° |
| C72 | C71 | C70 | H141 | 90.0° | 60.0° |
| C72 | C71 | H140 | H139 | 90.0° | 120.0° |
| C71 | C72 | H138 | H137 | 90.0° | 120.0° |
| C71 | C72 | C73 | H136 | 90.0° | 60.0° |
| C71 | C72 | C73 | H135 | 90.0° | 60.0° |
| C72 | C73 | C74 | H136 | 90.0° | 120.0° |
| C72 | C73 | C74 | H135 | 90.0° | 119.9° |
| C72 | C73 | C74 | C75 | 90.0° | 180.0° |
| C73 | C72 | C71 | H140 | 90.0° | 60.0° |
| C73 | C72 | C71 | H139 | 90.0° | 60.0° |
| C73 | C72 | H138 | H137 | 90.0° | 120.0° |
| C72 | C73 | H136 | H135 | 90.0° | 119.9° |
| C72 | C73 | C74 | H134 | 90.0° | 60.0° |
| C72 | C73 | C74 | H133 | 90.0° | 60.0° |
| C73 | C74 | C75 | H134 | 90.0° | 120.0° |
| C73 | C74 | C75 | H133 | 90.0° | 120.0° |
| C74 | C73 | C72 | H138 | 90.0° | 60.0° |
| C74 | C73 | C72 | H137 | 90.0° | 60.0° |
| C74 | C73 | H136 | H135 | 90.0° | 120.0° |
| C73 | C74 | H134 | H133 | 90.0° | 120.0° |
| C73 | C74 | C75 | H155 | 90.0° | 60.0° |
| C73 | C74 | C75 | H157 | 90.0° | 180.0° |
| C73 | C74 | C75 | H156 | 90.0° | 60.0° |
| C75 | C74 | C73 | H136 | 90.0° | 60.0° |
| C75 | C74 | C73 | H135 | 90.0° | 60.0° |
| C75 | C74 | H134 | H133 | 90.0° | 120.0° |
| C74 | C75 | H155 | H157 | 90.0° | 120.0° |
| C74 | C75 | H155 | H156 | 90.0° | 120.0° |
| C74 | C75 | H157 | H156 | 90.0° | 120.0° |
| C56 | C76 | C77 | H93 | 90.0° | 180.0° |
| C56 | C76 | C77 | C78 | 90.0° | 125.0° |
| C76 | C56 | C53 | H2 | 90.0° | 0.0° |
| C56 | C76 | C77 | H95 | 90.0° | 114.9° |
| C56 | C76 | C77 | H94 | 90.0° | 5.0° |
| C76 | C77 | C78 | H95 | 90.0° | 120.0° |
| C76 | C77 | C78 | H94 | 90.0° | 120.0° |
| C76 | C77 | C78 | C79 | 90.0° | 180.0° |
| C77 | C76 | C56 | H88 | 90.0° | 0.0° |
| C76 | C77 | H95 | H94 | 90.0° | 119.9° |
| C76 | C77 | C78 | H96 | 90.0° | 60.0° |
| C76 | C77 | C78 | H97 | 90.0° | 60.0° |
| C77 | C78 | C79 | H96 | 90.0° | 120.1° |
| C77 | C78 | C79 | H97 | 90.0° | 120.0° |
| C77 | C78 | C79 | C80 | 90.0° | 180.0° |
| C78 | C77 | C76 | H93 | 90.0° | 55.0° |
| C78 | C77 | H95 | H94 | 90.0° | 120.1° |
| C77 | C78 | H96 | H97 | 90.0° | 120.0° |
| C77 | C78 | C79 | H98 | 90.0° | 60.0° |
| C77 | C78 | C79 | H99 | 90.0° | 60.0° |
| C78 | C79 | C80 | H98 | 90.0° | 120.1° |
| C78 | C79 | C80 | H99 | 90.0° | 120.0° |
| C78 | C79 | C80 | C81 | 90.0° | 180.0° |
| C79 | C78 | C77 | H95 | 90.0° | 60.0° |
| C79 | C78 | C77 | H94 | 90.0° | 60.0° |
| C79 | C78 | H96 | H97 | 90.0° | 120.0° |
| C78 | C79 | H98 | H99 | 90.0° | 120.0° |
| C78 | C79 | C80 | H100 | 90.0° | 60.0° |
| C78 | C79 | C80 | H101 | 90.0° | 60.0° |
| C79 | C80 | C81 | H100 | 90.0° | 120.0° |
| C79 | C80 | C81 | H101 | 90.0° | 120.0° |
| C79 | C80 | C81 | C82 | 90.0° | 180.0° |
| C80 | C79 | C78 | H96 | 90.0° | 59.9° |
| C80 | C79 | C78 | H97 | 90.0° | 60.0° |
| C80 | C79 | H98 | H99 | 90.0° | 119.9° |
| C79 | C80 | H100 | H101 | 90.0° | 120.0° |
| C79 | C80 | C81 | H102 | 90.0° | 60.0° |
| C79 | C80 | C81 | H103 | 90.0° | 60.0° |
| C80 | C81 | C82 | H102 | 90.0° | 120.0° |
| C80 | C81 | C82 | H103 | 90.0° | 120.0° |
| C80 | C81 | C82 | C83 | 90.0° | 180.0° |
| C81 | C80 | C79 | H98 | 90.0° | 59.9° |
| C81 | C80 | C79 | H99 | 90.0° | 60.0° |
| C81 | C80 | H100 | H101 | 90.0° | 120.0° |
| C80 | C81 | H102 | H103 | 90.0° | 120.0° |
| C80 | C81 | C82 | H104 | 90.0° | 60.0° |
| C80 | C81 | C82 | H105 | 90.0° | 60.0° |
| C81 | C82 | C83 | H104 | 90.0° | 120.1° |
| C81 | C82 | C83 | H105 | 90.0° | 120.0° |
| C81 | C82 | C83 | C84 | 90.0° | 180.0° |
| C82 | C81 | C80 | H100 | 90.0° | 60.0° |
| C82 | C81 | C80 | H101 | 90.0° | 60.0° |
| C82 | C81 | H102 | H103 | 90.0° | 120.0° |
| C81 | C82 | H104 | H105 | 90.0° | 120.0° |
| C81 | C82 | C83 | H107 | 90.0° | 59.9° |
| C81 | C82 | C83 | H106 | 90.0° | 60.0° |
| C82 | C83 | C84 | H107 | 90.0° | 120.1° |
| C82 | C83 | C84 | H106 | 90.0° | 119.9° |
| C82 | C83 | C84 | C85 | 90.0° | 180.0° |
| C83 | C82 | C81 | H102 | 90.0° | 60.0° |
| C83 | C82 | C81 | H103 | 90.0° | 60.0° |
| C83 | C82 | H104 | H105 | 90.0° | 119.9° |
| C82 | C83 | H107 | H106 | 90.0° | 119.9° |
| C82 | C83 | C84 | H109 | 90.0° | 59.9° |
| C82 | C83 | C84 | H108 | 90.0° | 60.1° |
| C83 | C84 | C85 | H109 | 90.0° | 120.1° |
| C83 | C84 | C85 | H108 | 90.0° | 120.0° |
| C83 | C84 | C85 | C86 | 90.0° | 180.0° |
| C84 | C83 | C82 | H104 | 90.0° | 59.9° |
| C84 | C83 | C82 | H105 | 90.0° | 60.0° |
| C84 | C83 | H107 | H106 | 90.0° | 120.0° |
| C83 | C84 | H109 | H108 | 90.0° | 120.0° |
| C83 | C84 | C85 | H114 | 90.0° | 59.9° |
| C83 | C84 | C85 | H110 | 90.0° | 60.0° |
| C84 | C85 | C86 | H114 | 90.0° | 120.0° |
| C84 | C85 | C86 | H110 | 90.0° | 119.9° |
| C84 | C85 | C86 | C87 | 90.0° | 180.0° |
| C85 | C84 | C83 | H107 | 90.0° | 59.9° |
| C85 | C84 | C83 | H106 | 90.0° | 60.1° |
| C85 | C84 | H109 | H108 | 90.0° | 119.9° |
| C84 | C85 | H114 | H110 | 90.0° | 119.9° |
| C84 | C85 | C86 | H111 | 90.0° | 60.0° |
| C84 | C85 | C86 | H112 | 90.0° | 60.0° |
| C85 | C86 | C87 | H111 | 90.0° | 120.1° |
| C85 | C86 | C87 | H112 | 90.0° | 120.0° |
| C85 | C86 | C87 | C88 | 90.0° | 180.0° |
| C86 | C85 | C84 | H109 | 90.0° | 59.9° |
| C86 | C85 | C84 | H108 | 90.0° | 60.0° |
| C86 | C85 | H114 | H110 | 90.0° | 120.0° |
| C85 | C86 | H111 | H112 | 90.0° | 120.0° |
| C85 | C86 | C87 | H115 | 90.0° | 60.0° |
| C85 | C86 | C87 | H113 | 90.0° | 60.1° |
| C86 | C87 | C88 | H115 | 90.0° | 120.1° |
| C86 | C87 | C88 | H113 | 90.0° | 119.9° |
| C86 | C87 | C88 | C89 | 90.0° | 180.0° |
| C87 | C86 | C85 | H114 | 90.0° | 60.0° |
| C87 | C86 | C85 | H110 | 90.0° | 60.1° |
| C87 | C86 | H111 | H112 | 90.0° | 120.0° |
| C86 | C87 | H115 | H113 | 90.0° | 120.0° |
| C86 | C87 | C88 | H118 | 90.0° | 59.9° |
| C86 | C87 | C88 | H116 | 90.0° | 60.0° |
| C87 | C88 | C89 | H118 | 90.0° | 120.1° |
| C87 | C88 | C89 | H116 | 90.0° | 120.0° |
| C88 | C87 | C86 | H111 | 90.0° | 59.9° |
| C88 | C87 | C86 | H112 | 90.0° | 60.0° |
| C88 | C87 | H115 | H113 | 90.0° | 119.9° |
| C87 | C88 | H118 | H116 | 90.0° | 119.9° |
| C87 | C88 | C89 | H117 | 90.0° | 179.9° |
| C87 | C88 | C89 | H119 | 90.0° | 60.0° |
| C87 | C88 | C89 | H120 | 90.0° | 60.0° |
| C89 | C88 | C87 | H115 | 90.0° | 59.9° |
| C89 | C88 | C87 | H113 | 90.0° | 60.0° |
| C89 | C88 | H118 | H116 | 90.0° | 120.0° |
| C88 | C89 | H117 | H119 | 90.0° | 120.0° |
| C88 | C89 | H117 | H120 | 90.0° | 120.0° |
| C88 | C89 | H119 | H120 | 90.0° | 120.0° |
| H2 | C53 | O39 | H85 | 90.0° | 60.0° |
| H2 | C53 | C56 | H88 | 90.0° | 180.0° |
| H86 | C57 | C52 | H89 | 90.0° | 179.9° |
| H86 | C57 | C52 | H90 | 90.0° | 60.0° |
| H87 | C57 | C52 | H89 | 90.0° | 60.1° |
| H87 | C57 | C52 | H90 | 90.0° | 180.0° |
| H88 | C56 | C76 | H93 | 90.0° | 180.0° |
| H89 | C52 | C54 | H91 | 90.0° | 180.0° |
| H89 | C52 | C54 | H92 | 90.0° | 60.0° |
| H90 | C52 | C54 | H91 | 90.0° | 60.0° |
| H90 | C52 | C54 | H92 | 90.0° | 180.0° |
| H91 | C54 | C58 | H122 | 90.0° | 180.0° |
| H91 | C54 | C58 | H121 | 90.0° | 59.9° |
| H92 | C54 | C58 | H122 | 90.0° | 60.0° |
| H92 | C54 | C58 | H121 | 90.0° | 179.9° |
| H93 | C76 | C77 | H95 | 90.0° | 65.0° |
| H93 | C76 | C77 | H94 | 90.0° | 175.1° |
| H95 | C77 | C78 | H96 | 90.0° | 180.0° |
| H95 | C77 | C78 | H97 | 90.0° | 60.0° |
| H94 | C77 | C78 | H96 | 90.0° | 60.0° |
| H94 | C77 | C78 | H97 | 90.0° | 180.0° |
| H96 | C78 | C79 | H98 | 90.0° | 180.0° |
| H96 | C78 | C79 | H99 | 90.0° | 60.0° |
| H97 | C78 | C79 | H98 | 90.0° | 60.0° |
| H97 | C78 | C79 | H99 | 90.0° | 180.0° |
| H98 | C79 | C80 | H100 | 90.0° | 180.0° |
| H98 | C79 | C80 | H101 | 90.0° | 60.1° |
| H99 | C79 | C80 | H100 | 90.0° | 60.0° |
| H99 | C79 | C80 | H101 | 90.0° | 180.0° |
| H100 | C80 | C81 | H102 | 90.0° | 180.0° |
| H100 | C80 | C81 | H103 | 90.0° | 60.1° |
| H101 | C80 | C81 | H102 | 90.0° | 60.1° |
| H101 | C80 | C81 | H103 | 90.0° | 180.0° |
| H102 | C81 | C82 | H104 | 90.0° | 180.0° |
| H102 | C81 | C82 | H105 | 90.0° | 60.0° |
| H103 | C81 | C82 | H104 | 90.0° | 60.0° |
| H103 | C81 | C82 | H105 | 90.0° | 180.0° |
| H104 | C82 | C83 | H107 | 90.0° | NaN° |
| H104 | C82 | C83 | H106 | 90.0° | 60.0° |
| H105 | C82 | C83 | H107 | 90.0° | 60.0° |
| H105 | C82 | C83 | H106 | 90.0° | 180.0° |
| H107 | C83 | C84 | H109 | 90.0° | 180.0° |
| H107 | C83 | C84 | H108 | 90.0° | 60.0° |
| H106 | C83 | C84 | H109 | 90.0° | 60.0° |
| H106 | C83 | C84 | H108 | 90.0° | 180.0° |
| H109 | C84 | C85 | H114 | 90.0° | 180.0° |
| H109 | C84 | C85 | H110 | 90.0° | 60.0° |
| H108 | C84 | C85 | H114 | 90.0° | 60.0° |
| H108 | C84 | C85 | H110 | 90.0° | NaN° |
| H114 | C85 | C86 | H111 | 90.0° | 180.0° |
| H114 | C85 | C86 | H112 | 90.0° | 60.0° |
| H110 | C85 | C86 | H111 | 90.0° | 60.0° |
| H110 | C85 | C86 | H112 | 90.0° | 180.0° |
| H111 | C86 | C87 | H115 | 90.0° | 180.0° |
| H111 | C86 | C87 | H113 | 90.0° | 60.0° |
| H112 | C86 | C87 | H115 | 90.0° | 60.0° |
| H112 | C86 | C87 | H113 | 90.0° | 179.9° |
| H115 | C87 | C88 | H118 | 90.0° | 180.0° |
| H115 | C87 | C88 | H116 | 90.0° | 60.1° |
| H113 | C87 | C88 | H118 | 90.0° | 60.0° |
| H113 | C87 | C88 | H116 | 90.0° | 180.0° |
| H118 | C88 | C89 | H117 | 90.0° | 60.0° |
| H118 | C88 | C89 | H119 | 90.0° | 179.9° |
| H118 | C88 | C89 | H120 | 90.0° | 60.0° |
| H116 | C88 | C89 | H117 | 90.0° | 60.0° |
| H116 | C88 | C89 | H119 | 90.0° | 60.0° |
| H116 | C88 | C89 | H120 | 90.0° | 180.0° |
| H117 | C89 | H119 | H120 | 90.0° | 120.0° |
| H122 | C58 | C59 | H123 | 90.0° | 180.0° |
| H122 | C58 | C59 | H124 | 90.0° | 60.0° |
| H121 | C58 | C59 | H123 | 90.0° | 59.9° |
| H121 | C58 | C59 | H124 | 90.0° | 180.0° |
| H123 | C59 | C60 | H125 | 90.0° | 179.9° |
| H123 | C59 | C60 | H126 | 90.0° | 60.0° |
| H124 | C59 | C60 | H125 | 90.0° | 60.0° |
| H124 | C59 | C60 | H126 | 90.0° | 180.0° |
| H125 | C60 | C61 | H150 | 90.0° | 180.0° |
| H125 | C60 | C61 | H151 | 90.0° | 60.0° |
| H126 | C60 | C61 | H150 | 90.0° | 60.0° |
| H126 | C60 | C61 | H151 | 90.0° | 180.0° |
| H150 | C61 | C62 | H128 | 90.0° | 179.9° |
| H150 | C61 | C62 | H127 | 90.0° | 60.0° |
| H128 | C62 | C63 | H130 | 90.0° | 180.0° |
| H128 | C62 | C63 | H129 | 90.0° | 60.0° |
| H128 | C62 | C61 | H151 | 90.0° | 60.0° |
| H127 | C62 | C63 | H130 | 90.0° | 60.0° |
| H127 | C62 | C63 | H129 | 90.0° | 180.0° |
| H127 | C62 | C61 | H151 | 90.0° | 180.0° |
| H130 | C63 | C64 | H132 | 90.0° | 179.9° |
| H130 | C63 | C64 | H131 | 90.0° | 60.0° |
| H129 | C63 | C64 | H132 | 90.0° | 60.1° |
| H129 | C63 | C64 | H131 | 90.0° | 180.0° |
| H132 | C64 | C65 | H148 | 90.0° | 180.0° |
| H132 | C64 | C65 | H149 | 90.0° | 60.0° |
| H131 | C64 | C65 | H148 | 90.0° | 60.1° |
| H131 | C64 | C65 | H149 | 90.0° | 180.0° |
| H148 | C65 | C66 | H147 | 90.0° | 179.9° |
| H148 | C65 | C66 | H146 | 90.0° | 60.0° |
| H149 | C65 | C66 | H147 | 90.0° | 59.9° |
| H149 | C65 | C66 | H146 | 90.0° | 180.0° |
| H147 | C66 | C67 | H145 | 90.0° | 180.0° |
| H147 | C66 | C67 | H152 | 90.0° | 60.0° |
| H146 | C66 | C67 | H145 | 90.0° | 60.0° |
| H146 | C66 | C67 | H152 | 90.0° | 180.0° |
| H145 | C67 | C68 | H144 | 90.0° | 179.9° |
| H145 | C67 | C68 | H143 | 90.0° | 60.0° |
| H144 | C68 | C69 | H153 | 90.0° | 180.0° |
| H144 | C68 | C69 | H154 | 90.0° | 59.9° |
| H144 | C68 | C67 | H152 | 90.0° | 60.1° |
| H143 | C68 | C69 | H153 | 90.0° | 60.0° |
| H143 | C68 | C69 | H154 | 90.0° | 179.9° |
| H143 | C68 | C67 | H152 | 90.0° | 180.0° |
| H153 | C69 | C70 | H142 | 90.0° | 179.9° |
| H153 | C69 | C70 | H141 | 90.0° | 60.1° |
| H142 | C70 | C71 | H140 | 90.0° | 180.0° |
| H142 | C70 | C71 | H139 | 90.0° | 60.0° |
| H142 | C70 | C69 | H154 | 90.0° | 59.9° |
| H141 | C70 | C71 | H140 | 90.0° | 60.0° |
| H141 | C70 | C71 | H139 | 90.0° | 180.0° |
| H141 | C70 | C69 | H154 | 90.0° | 179.9° |
| H140 | C71 | C72 | H138 | 90.0° | 179.9° |
| H140 | C71 | C72 | H137 | 90.0° | 60.0° |
| H139 | C71 | C72 | H138 | 90.0° | 60.1° |
| H139 | C71 | C72 | H137 | 90.0° | 180.0° |
| H138 | C72 | C73 | H136 | 90.0° | 180.0° |
| H138 | C72 | C73 | H135 | 90.0° | 60.0° |
| H137 | C72 | C73 | H136 | 90.0° | 60.1° |
| H137 | C72 | C73 | H135 | 90.0° | 180.0° |
| H136 | C73 | C74 | H134 | 90.0° | 179.9° |
| H136 | C73 | C74 | H133 | 90.0° | 60.0° |
| H135 | C73 | C74 | H134 | 90.0° | 59.9° |
| H135 | C73 | C74 | H133 | 90.0° | 180.0° |
| H134 | C74 | C75 | H155 | 90.0° | 60.0° |
| H134 | C74 | C75 | H157 | 90.0° | 60.0° |
| H134 | C74 | C75 | H156 | 90.0° | 180.0° |
| H133 | C74 | C75 | H155 | 90.0° | NaN° |
| H133 | C74 | C75 | H157 | 90.0° | 60.0° |
| H133 | C74 | C75 | H156 | 90.0° | 60.0° |
| H155 | C75 | H157 | H156 | 90.0° | 120.0° |
