PRD_000109
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | C7 | sing | 1.47Å | 1.46Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | O2 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| N3 | C13 | sing | 1.47Å | 1.45Å | |
| N3 | H23 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | O3 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| N4 | C19 | sing | 1.47Å | 1.46Å | |
| N4 | H34 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | O4 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| N5 | C25 | sing | 1.46Å | 1.46Å | |
| N5 | H45 | sing | 0.97Å | 1.00Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.54Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C26 | O5 | doub | 1.21Å | 1.23Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C28 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | 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 | |
| N6 | C31 | sing | 1.46Å | 1.45Å | |
| N6 | H56 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| C31 | H57 | sing | 1.09Å | 1.10Å | |
| C32 | O6 | doub | 1.21Å | 1.23Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C33 | H59 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C34 | H61 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | H62 | sing | 1.09Å | 1.10Å | |
| C35 | H63 | sing | 1.09Å | 1.10Å | |
| C36 | H64 | sing | 1.09Å | 1.10Å | |
| C36 | H65 | sing | 1.09Å | 1.10Å | |
| C36 | H66 | sing | 1.09Å | 1.10Å | |
| N7 | C37 | sing | 1.47Å | 1.45Å | |
| N7 | H67 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.53Å | |
| C37 | C39 | sing | 1.53Å | 1.54Å | |
| C37 | H68 | sing | 1.09Å | 1.10Å | |
| C38 | O7 | doub | 1.21Å | 1.23Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C39 | H69 | sing | 1.09Å | 1.10Å | |
| C39 | H70 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| C40 | H72 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | H73 | sing | 1.09Å | 1.10Å | |
| C41 | H74 | sing | 1.09Å | 1.10Å | |
| C42 | H75 | sing | 1.09Å | 1.10Å | |
| C42 | H76 | sing | 1.09Å | 1.10Å | |
| C42 | H77 | sing | 1.09Å | 1.10Å | |
| N8 | C43 | sing | 1.47Å | 1.46Å | |
| N8 | H78 | sing | 0.97Å | 1.00Å | |
| C43 | C44 | sing | 1.51Å | 1.53Å | |
| C43 | C45 | sing | 1.53Å | 1.54Å | |
| C43 | H79 | sing | 1.09Å | 1.10Å | |
| C44 | O8 | doub | 1.21Å | 1.23Å | |
| C45 | C46 | sing | 1.53Å | 1.54Å | |
| C45 | H80 | sing | 1.09Å | 1.10Å | |
| C45 | H81 | sing | 1.09Å | 1.10Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C46 | H82 | sing | 1.09Å | 1.10Å | |
| C46 | H83 | sing | 1.09Å | 1.10Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C47 | H84 | sing | 1.09Å | 1.10Å | |
| C47 | H85 | sing | 1.09Å | 1.10Å | |
| C48 | H86 | sing | 1.09Å | 1.10Å | |
| C48 | H87 | sing | 1.09Å | 1.10Å | |
| C48 | H88 | sing | 1.09Å | 1.10Å | |
| N9 | C49 | sing | 1.46Å | 1.45Å | |
| N9 | H89 | sing | 0.97Å | 1.00Å | |
| C49 | C50 | sing | 1.51Å | 1.53Å | |
| C49 | C51 | sing | 1.53Å | 1.53Å | |
| C49 | H90 | sing | 1.09Å | 1.10Å | |
| C50 | O9 | doub | 1.21Å | 1.23Å | |
| C51 | C52 | sing | 1.53Å | 1.54Å | |
| C51 | H91 | sing | 1.09Å | 1.10Å | |
| C51 | H92 | sing | 1.09Å | 1.10Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C52 | H93 | sing | 1.09Å | 1.10Å | |
| C52 | H94 | sing | 1.09Å | 1.10Å | |
| C53 | C54 | sing | 1.53Å | 1.53Å | |
| C53 | H95 | sing | 1.09Å | 1.10Å | |
| C53 | H96 | sing | 1.09Å | 1.10Å | |
| C54 | H97 | sing | 1.09Å | 1.10Å | |
| C54 | H98 | sing | 1.09Å | 1.10Å | |
| C54 | H99 | sing | 1.09Å | 1.10Å | |
| N10 | C55 | sing | 1.46Å | 1.45Å | |
| N10 | H100 | sing | 0.97Å | 1.00Å | |
| C55 | C56 | sing | 1.51Å | 1.53Å | |
| C55 | C57 | sing | 1.53Å | 1.54Å | |
| C55 | H101 | sing | 1.09Å | 1.10Å | |
| C56 | O10 | doub | 1.21Å | 1.23Å | |
| C57 | C58 | sing | 1.53Å | 1.53Å | |
| C57 | H102 | sing | 1.09Å | 1.10Å | |
| C57 | H103 | sing | 1.09Å | 1.10Å | |
| C58 | C59 | sing | 1.53Å | 1.53Å | |
| C58 | H104 | sing | 1.09Å | 1.10Å | |
| C58 | H105 | sing | 1.09Å | 1.10Å | |
| C59 | C60 | sing | 1.53Å | 1.53Å | |
| C59 | H106 | sing | 1.09Å | 1.10Å | |
| C59 | H107 | sing | 1.09Å | 1.10Å | |
| C60 | H108 | sing | 1.09Å | 1.10Å | |
| C60 | H109 | sing | 1.09Å | 1.10Å | |
| C60 | H110 | sing | 1.09Å | 1.10Å | |
| N11 | C61 | sing | 1.46Å | 1.46Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| C61 | C62 | sing | 1.51Å | 1.54Å | |
| C61 | C63 | sing | 1.53Å | 1.54Å | |
| C61 | H112 | sing | 1.09Å | 1.10Å | |
| C62 | O11 | doub | 1.21Å | 1.23Å | |
| C63 | C64 | sing | 1.53Å | 1.53Å | |
| C63 | H113 | sing | 1.09Å | 1.10Å | |
| C63 | H114 | sing | 1.09Å | 1.10Å | |
| C64 | C65 | sing | 1.53Å | 1.53Å | |
| C64 | H115 | sing | 1.09Å | 1.10Å | |
| C64 | H116 | sing | 1.09Å | 1.10Å | |
| C65 | C66 | sing | 1.53Å | 1.53Å | |
| C65 | H117 | sing | 1.09Å | 1.10Å | |
| C65 | H118 | sing | 1.09Å | 1.10Å | |
| C66 | H119 | sing | 1.09Å | 1.10Å | |
| C66 | H120 | sing | 1.09Å | 1.10Å | |
| C66 | H121 | sing | 1.09Å | 1.10Å | |
| C67 | N12 | sing | 1.46Å | 1.47Å | |
| C67 | H122 | sing | 1.09Å | 1.10Å | |
| C67 | H123 | sing | 1.09Å | 1.10Å | |
| C67 | H124 | sing | 1.09Å | 1.10Å | |
| N12 | C68 | sing | 1.47Å | 1.48Å | |
| C68 | C69 | sing | 1.51Å | 1.54Å | |
| C68 | C70 | sing | 1.53Å | 1.54Å | |
| C68 | H125 | sing | 1.09Å | 1.10Å | |
| C69 | O12 | doub | 1.21Å | 1.23Å | |
| C70 | C71 | sing | 1.53Å | 1.54Å | |
| C70 | H126 | sing | 1.09Å | 1.10Å | |
| C70 | H127 | sing | 1.09Å | 1.10Å | |
| C71 | C72 | sing | 1.53Å | 1.53Å | |
| C71 | H128 | sing | 1.09Å | 1.10Å | |
| C71 | H129 | sing | 1.09Å | 1.10Å | |
| C72 | C73 | sing | 1.53Å | 1.53Å | |
| C72 | H130 | sing | 1.09Å | 1.10Å | |
| C72 | H131 | sing | 1.09Å | 1.10Å | |
| C73 | H132 | sing | 1.09Å | 1.10Å | |
| C73 | H133 | sing | 1.09Å | 1.10Å | |
| C73 | H134 | sing | 1.09Å | 1.10Å | |
| N13 | C74 | sing | 1.46Å | 1.46Å | |
| N13 | H135 | sing | 0.97Å | 1.00Å | |
| C74 | C75 | sing | 1.51Å | 1.53Å | |
| C74 | C76 | sing | 1.53Å | 1.53Å | |
| C74 | H136 | sing | 1.09Å | 1.10Å | |
| C75 | O13 | doub | 1.21Å | 1.23Å | |
| C76 | C77 | sing | 1.53Å | 1.54Å | |
| C76 | H137 | sing | 1.09Å | 1.10Å | |
| C76 | H138 | sing | 1.09Å | 1.10Å | |
| C77 | C78 | sing | 1.53Å | 1.53Å | |
| C77 | H139 | sing | 1.09Å | 1.10Å | |
| C77 | H140 | sing | 1.09Å | 1.10Å | |
| C78 | C79 | sing | 1.53Å | 1.53Å | |
| C78 | H141 | sing | 1.09Å | 1.10Å | |
| C78 | H142 | sing | 1.09Å | 1.10Å | |
| C79 | H143 | sing | 1.09Å | 1.10Å | |
| C79 | H144 | sing | 1.09Å | 1.10Å | |
| C79 | H145 | sing | 1.09Å | 1.10Å | |
| N14 | C80 | sing | 1.46Å | 1.46Å | |
| N14 | H146 | sing | 0.97Å | 1.00Å | |
| C80 | C81 | sing | 1.51Å | 1.53Å | |
| C80 | C82 | sing | 1.53Å | 1.54Å | |
| C80 | H147 | sing | 1.09Å | 1.10Å | |
| C81 | O14 | doub | 1.21Å | 1.23Å | |
| C82 | C83 | sing | 1.53Å | 1.53Å | |
| C82 | H148 | sing | 1.09Å | 1.10Å | |
| C82 | H149 | sing | 1.09Å | 1.10Å | |
| C83 | C84 | sing | 1.53Å | 1.53Å | |
| C83 | H150 | sing | 1.09Å | 1.10Å | |
| C83 | H151 | sing | 1.09Å | 1.10Å | |
| C84 | C85 | sing | 1.53Å | 1.53Å | |
| C84 | H152 | sing | 1.09Å | 1.10Å | |
| C84 | H153 | sing | 1.09Å | 1.10Å | |
| C85 | H154 | sing | 1.09Å | 1.10Å | |
| C85 | H155 | sing | 1.09Å | 1.10Å | |
| C85 | H156 | sing | 1.09Å | 1.10Å | |
| N15 | C86 | sing | 1.47Å | 1.46Å | |
| N15 | H157 | sing | 0.97Å | 1.00Å | |
| C86 | C87 | sing | 1.51Å | 1.54Å | |
| C86 | C88 | sing | 1.53Å | 1.54Å | |
| C86 | H158 | sing | 1.09Å | 1.10Å | |
| C87 | O15 | doub | 1.21Å | 1.23Å | |
| C87 | O16 | sing | 1.34Å | 1.36Å | |
| O16 | H159 | sing | 0.97Å | 0.95Å | |
| C88 | C89 | sing | 1.53Å | 1.53Å | |
| C88 | H160 | sing | 1.09Å | 1.10Å | |
| C88 | H161 | sing | 1.09Å | 1.10Å | |
| C89 | C90 | sing | 1.53Å | 1.53Å | |
| C89 | H162 | sing | 1.09Å | 1.10Å | |
| C89 | H163 | sing | 1.09Å | 1.10Å | |
| C90 | C91 | sing | 1.53Å | 1.53Å | |
| C90 | H164 | sing | 1.09Å | 1.10Å | |
| C90 | H165 | sing | 1.09Å | 1.10Å | |
| C91 | H166 | sing | 1.09Å | 1.10Å | |
| C91 | H167 | sing | 1.09Å | 1.10Å | |
| C91 | H168 | sing | 1.09Å | 1.10Å | |
| O17 | C92 | doub | 1.21Å | 1.23Å | |
| C92 | O18 | sing | 1.35Å | 1.38Å | |
| O18 | C93 | sing | 1.45Å | 1.43Å | |
| C93 | C94 | sing | 1.53Å | 1.54Å | |
| C93 | C95 | sing | 1.53Å | 1.54Å | |
| C93 | C96 | sing | 1.53Å | 1.53Å | |
| C94 | H169 | sing | 1.09Å | 1.10Å | |
| C94 | H170 | sing | 1.09Å | 1.10Å | |
| C94 | H171 | sing | 1.09Å | 1.10Å | |
| C95 | H172 | sing | 1.09Å | 1.10Å | |
| C95 | H173 | sing | 1.09Å | 1.10Å | |
| C95 | H174 | sing | 1.09Å | 1.10Å | |
| C96 | H175 | sing | 1.09Å | 1.10Å | |
| C96 | H176 | sing | 1.09Å | 1.10Å | |
| C96 | H177 | sing | 1.09Å | 1.10Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C8 | N3 | sing | 1.35Å | 1.33Å | |
| C14 | N4 | sing | 1.35Å | 1.33Å | |
| C20 | N5 | sing | 1.35Å | 1.33Å | |
| C62 | N12 | sing | 1.35Å | 1.35Å | |
| C69 | N13 | sing | 1.35Å | 1.34Å | |
| C81 | N15 | sing | 1.35Å | 1.34Å | |
| C26 | N6 | sing | 1.35Å | 1.33Å | |
| C32 | N7 | sing | 1.35Å | 1.33Å | |
| C38 | N8 | sing | 1.35Å | 1.33Å | |
| C44 | N9 | sing | 1.35Å | 1.33Å | |
| C50 | N10 | sing | 1.35Å | 1.33Å | |
| C56 | N11 | sing | 1.35Å | 1.33Å | |
| C75 | N14 | sing | 1.35Å | 1.33Å | |
| N1 | C92 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 117.4° | 120.0° |
| N1 | C1 | C2 | 111.6° | 109.4° |
| N1 | C1 | C3 | 109.7° | 109.5° |
| N1 | C1 | H2 | 108.5° | 109.5° |
| C1 | N1 | C92 | 125.2° | 119.9° |
| H1 | N1 | C92 | 117.4° | 120.0° |
| C2 | C1 | C3 | 111.8° | 109.4° |
| C2 | C1 | H2 | 107.6° | 109.5° |
| C1 | C2 | O1 | 121.0° | 120.0° |
| C1 | C2 | N2 | 116.3° | 120.0° |
| C3 | C1 | H2 | 107.6° | 109.5° |
| C1 | C3 | C4 | 112.6° | 109.4° |
| C1 | C3 | H3 | 108.7° | 109.5° |
| C1 | C3 | H4 | 108.7° | 109.5° |
| O1 | C2 | N2 | 122.7° | 120.0° |
| C4 | C3 | H3 | 108.7° | 109.5° |
| C4 | C3 | H4 | 108.7° | 109.5° |
| C3 | C4 | C5 | 110.1° | 109.5° |
| C3 | C4 | H5 | 109.3° | 109.5° |
| C3 | C4 | H6 | 109.3° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| C5 | C4 | H5 | 109.3° | 109.5° |
| C5 | C4 | H6 | 109.3° | 109.5° |
| C4 | C5 | C6 | 112.2° | 109.5° |
| C4 | C5 | H7 | 108.8° | 109.4° |
| C4 | C5 | H8 | 108.8° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| C6 | C5 | H7 | 108.8° | 109.5° |
| C6 | C5 | H8 | 108.8° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.4° |
| C5 | C6 | H10 | 109.5° | 109.5° |
| C5 | C6 | H11 | 109.4° | 109.4° |
| H7 | C5 | H8 | 109.5° | 109.4° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H9 | C6 | H11 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| C7 | N2 | H12 | 117.4° | 120.0° |
| N2 | C7 | C8 | 107.4° | 109.5° |
| N2 | C7 | C9 | 111.3° | 109.5° |
| N2 | C7 | H13 | 109.2° | 109.4° |
| C7 | N2 | C2 | 125.2° | 120.0° |
| H12 | N2 | C2 | 117.4° | 120.0° |
| C8 | C7 | C9 | 112.5° | 109.5° |
| C8 | C7 | H13 | 108.3° | 109.5° |
| C7 | C8 | O2 | 121.3° | 120.0° |
| C7 | C8 | N3 | 115.7° | 120.0° |
| C9 | C7 | H13 | 108.1° | 109.5° |
| C7 | C9 | C10 | 112.0° | 109.5° |
| C7 | C9 | H14 | 108.8° | 109.5° |
| C7 | C9 | H15 | 108.8° | 109.5° |
| O2 | C8 | N3 | 123.0° | 120.0° |
| C10 | C9 | H14 | 108.8° | 109.4° |
| C10 | C9 | H15 | 108.8° | 109.4° |
| C9 | C10 | C11 | 113.1° | 109.5° |
| C9 | C10 | H16 | 108.5° | 109.5° |
| C9 | C10 | H17 | 108.5° | 109.4° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| C11 | C10 | H16 | 108.6° | 109.5° |
| C11 | C10 | H17 | 108.6° | 109.5° |
| C10 | C11 | C12 | 115.0° | 109.5° |
| C10 | C11 | H18 | 108.1° | 109.5° |
| C10 | C11 | H19 | 108.1° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| C12 | C11 | H18 | 108.1° | 109.4° |
| C12 | C11 | H19 | 108.1° | 109.5° |
| C11 | C12 | H20 | 109.5° | 109.5° |
| C11 | C12 | H21 | 109.4° | 109.5° |
| C11 | C12 | H22 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.4° | 109.4° |
| H20 | C12 | H21 | 109.5° | 109.4° |
| H20 | C12 | H22 | 109.4° | 109.5° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| C13 | N3 | H23 | 117.2° | 119.9° |
| N3 | C13 | C14 | 110.0° | 109.5° |
| N3 | C13 | C15 | 109.4° | 109.5° |
| N3 | C13 | H24 | 109.7° | 109.5° |
| C13 | N3 | C8 | 125.7° | 120.0° |
| H23 | N3 | C8 | 117.1° | 120.0° |
| C14 | C13 | C15 | 110.5° | 109.5° |
| C14 | C13 | H24 | 108.7° | 109.4° |
| C13 | C14 | O3 | 120.5° | 120.0° |
| C13 | C14 | N4 | 116.7° | 120.0° |
| C15 | C13 | H24 | 108.6° | 109.5° |
| C13 | C15 | C16 | 113.5° | 109.5° |
| C13 | C15 | H25 | 108.4° | 109.5° |
| C13 | C15 | H26 | 108.5° | 109.4° |
| O3 | C14 | N4 | 122.8° | 120.0° |
| C16 | C15 | H25 | 108.5° | 109.5° |
| C16 | C15 | H26 | 108.4° | 109.4° |
| C15 | C16 | C17 | 112.3° | 109.5° |
| C15 | C16 | H27 | 108.8° | 109.5° |
| C15 | C16 | H28 | 108.8° | 109.4° |
| H25 | C15 | H26 | 109.5° | 109.5° |
| C17 | C16 | H27 | 108.7° | 109.5° |
| C17 | C16 | H28 | 108.8° | 109.5° |
| C16 | C17 | C18 | 112.1° | 109.5° |
| C16 | C17 | H29 | 108.8° | 109.5° |
| C16 | C17 | H30 | 108.8° | 109.5° |
| H27 | C16 | H28 | 109.5° | 109.5° |
| C18 | C17 | H29 | 108.8° | 109.4° |
| C18 | C17 | H30 | 108.8° | 109.5° |
| C17 | C18 | H31 | 109.5° | 109.5° |
| C17 | C18 | H32 | 109.4° | 109.5° |
| C17 | C18 | H33 | 109.4° | 109.5° |
| H29 | C17 | H30 | 109.5° | 109.4° |
| H31 | C18 | H32 | 109.5° | 109.4° |
| H31 | C18 | H33 | 109.5° | 109.5° |
| H32 | C18 | H33 | 109.5° | 109.5° |
| C19 | N4 | H34 | 118.0° | 120.0° |
| N4 | C19 | C20 | 110.2° | 109.4° |
| N4 | C19 | C21 | 109.3° | 109.5° |
| N4 | C19 | H35 | 109.6° | 109.4° |
| C19 | N4 | C14 | 123.9° | 120.0° |
| H34 | N4 | C14 | 118.1° | 120.0° |
| C20 | C19 | C21 | 110.4° | 109.5° |
| C20 | C19 | H35 | 108.7° | 109.4° |
| C19 | C20 | O4 | 118.9° | 120.0° |
| C19 | C20 | N5 | 118.9° | 120.0° |
| C21 | C19 | H35 | 108.6° | 109.5° |
| C19 | C21 | C22 | 111.8° | 109.5° |
| C19 | C21 | H36 | 108.9° | 109.5° |
| C19 | C21 | H37 | 108.9° | 109.5° |
| O4 | C20 | N5 | 122.1° | 120.0° |
| C22 | C21 | H36 | 108.9° | 109.4° |
| C22 | C21 | H37 | 108.9° | 109.5° |
| C21 | C22 | C23 | 111.7° | 109.5° |
| C21 | C22 | H38 | 108.9° | 109.4° |
| C21 | C22 | H39 | 108.9° | 109.5° |
| H36 | C21 | H37 | 109.4° | 109.5° |
| C23 | C22 | H38 | 108.9° | 109.5° |
| C23 | C22 | H39 | 108.9° | 109.4° |
| C22 | C23 | C24 | 112.5° | 109.4° |
| C22 | C23 | H40 | 108.7° | 109.5° |
| C22 | C23 | H41 | 108.7° | 109.4° |
| H38 | C22 | H39 | 109.5° | 109.5° |
| C24 | C23 | H40 | 108.7° | 109.5° |
| C24 | C23 | H41 | 108.7° | 109.5° |
| C23 | C24 | H42 | 109.5° | 109.5° |
| C23 | C24 | H43 | 109.5° | 109.5° |
| C23 | C24 | H44 | 109.5° | 109.5° |
| H40 | C23 | H41 | 109.5° | 109.5° |
| H42 | C24 | H43 | 109.4° | 109.4° |
| H42 | C24 | H44 | 109.5° | 109.4° |
| H43 | C24 | H44 | 109.5° | 109.5° |
| C25 | N5 | H45 | 118.6° | 120.0° |
| N5 | C25 | C26 | 112.6° | 109.4° |
| N5 | C25 | C27 | 110.5° | 109.5° |
| N5 | C25 | H46 | 108.3° | 109.4° |
| C25 | N5 | C20 | 122.7° | 120.0° |
| H45 | N5 | C20 | 118.6° | 120.0° |
| C26 | C25 | C27 | 110.3° | 109.5° |
| C26 | C25 | H46 | 107.5° | 109.4° |
| C25 | C26 | O5 | 121.4° | 120.0° |
| C25 | C26 | N6 | 115.1° | 120.0° |
| C27 | C25 | H46 | 107.4° | 109.5° |
| C25 | C27 | C28 | 112.3° | 109.5° |
| C25 | C27 | H47 | 108.8° | 109.5° |
| C25 | C27 | H48 | 108.8° | 109.5° |
| O5 | C26 | N6 | 123.5° | 120.0° |
| C28 | C27 | H47 | 108.8° | 109.5° |
| C28 | C27 | H48 | 108.8° | 109.5° |
| C27 | C28 | C29 | 110.5° | 109.5° |
| C27 | C28 | H49 | 109.2° | 109.5° |
| C27 | C28 | H50 | 109.2° | 109.5° |
| H47 | C27 | H48 | 109.4° | 109.5° |
| C29 | C28 | H49 | 109.2° | 109.5° |
| C29 | C28 | H50 | 109.2° | 109.5° |
| C28 | C29 | C30 | 110.4° | 109.5° |
| C28 | C29 | H51 | 109.2° | 109.5° |
| C28 | C29 | H52 | 109.2° | 109.5° |
| H49 | C28 | H50 | 109.5° | 109.5° |
| C30 | C29 | H51 | 109.2° | 109.5° |
| C30 | C29 | H52 | 109.2° | 109.5° |
| C29 | C30 | H53 | 109.5° | 109.5° |
| C29 | C30 | H54 | 109.5° | 109.5° |
| C29 | C30 | H55 | 109.5° | 109.4° |
| H51 | C29 | H52 | 109.5° | 109.4° |
| H53 | C30 | H54 | 109.5° | 109.5° |
| H53 | C30 | H55 | 109.5° | 109.5° |
| H54 | C30 | H55 | 109.5° | 109.4° |
| C31 | N6 | H56 | 116.6° | 120.0° |
| N6 | C31 | C32 | 106.7° | 109.5° |
| N6 | C31 | C33 | 110.0° | 109.5° |
| N6 | C31 | H57 | 110.1° | 109.5° |
| C31 | N6 | C26 | 126.7° | 120.0° |
| H56 | N6 | C26 | 116.7° | 120.0° |
| C32 | C31 | C33 | 112.2° | 109.5° |
| C32 | C31 | H57 | 109.0° | 109.4° |
| C31 | C32 | O6 | 121.6° | 120.0° |
| C31 | C32 | N7 | 115.8° | 120.0° |
| C33 | C31 | H57 | 109.0° | 109.5° |
| C31 | C33 | C34 | 111.4° | 109.5° |
| C31 | C33 | H58 | 109.0° | 109.4° |
| C31 | C33 | H59 | 109.0° | 109.5° |
| O6 | C32 | N7 | 122.7° | 120.0° |
| C34 | C33 | H58 | 109.0° | 109.5° |
| C34 | C33 | H59 | 109.0° | 109.5° |
| C33 | C34 | C35 | 112.2° | 109.5° |
| C33 | C34 | H60 | 108.8° | 109.5° |
| C33 | C34 | H61 | 108.8° | 109.5° |
| H58 | C33 | H59 | 109.5° | 109.5° |
| C35 | C34 | H60 | 108.8° | 109.5° |
| C35 | C34 | H61 | 108.8° | 109.4° |
| C34 | C35 | C36 | 112.3° | 109.5° |
| C34 | C35 | H62 | 108.8° | 109.4° |
| C34 | C35 | H63 | 108.8° | 109.4° |
| H60 | C34 | H61 | 109.5° | 109.4° |
| C36 | C35 | H62 | 108.7° | 109.5° |
| C36 | C35 | H63 | 108.8° | 109.5° |
| C35 | C36 | H64 | 109.5° | 109.5° |
| C35 | C36 | H65 | 109.5° | 109.5° |
| C35 | C36 | H66 | 109.5° | 109.5° |
| H62 | C35 | H63 | 109.5° | 109.5° |
| H64 | C36 | H65 | 109.5° | 109.4° |
| H64 | C36 | H66 | 109.4° | 109.5° |
| H65 | C36 | H66 | 109.5° | 109.5° |
| C37 | N7 | H67 | 117.6° | 120.0° |
| N7 | C37 | C38 | 109.6° | 109.4° |
| N7 | C37 | C39 | 109.8° | 109.5° |
| N7 | C37 | H68 | 109.2° | 109.4° |
| C37 | N7 | C32 | 124.7° | 119.9° |
| H67 | N7 | C32 | 117.6° | 120.0° |
| C38 | C37 | C39 | 111.9° | 109.4° |
| C38 | C37 | H68 | 108.2° | 109.5° |
| C37 | C38 | O7 | 120.8° | 120.0° |
| C37 | C38 | N8 | 116.8° | 120.0° |
| C39 | C37 | H68 | 108.1° | 109.6° |
| C37 | C39 | C40 | 113.8° | 109.4° |
| C37 | C39 | H69 | 108.4° | 109.5° |
| C37 | C39 | H70 | 108.4° | 109.5° |
| O7 | C38 | N8 | 122.5° | 120.0° |
| C40 | C39 | H69 | 108.3° | 109.5° |
| C40 | C39 | H70 | 108.4° | 109.4° |
| C39 | C40 | C41 | 113.1° | 109.5° |
| C39 | C40 | H71 | 108.5° | 109.5° |
| C39 | C40 | H72 | 108.6° | 109.5° |
| H69 | C39 | H70 | 109.5° | 109.5° |
| C41 | C40 | H71 | 108.6° | 109.5° |
| C41 | C40 | H72 | 108.6° | 109.5° |
| C40 | C41 | C42 | 110.4° | 109.5° |
| C40 | C41 | H73 | 109.2° | 109.5° |
| C40 | C41 | H74 | 109.2° | 109.5° |
| H71 | C40 | H72 | 109.5° | 109.5° |
| C42 | C41 | H73 | 109.2° | 109.5° |
| C42 | C41 | H74 | 109.2° | 109.5° |
| C41 | C42 | H75 | 109.5° | 109.5° |
| C41 | C42 | H76 | 109.5° | 109.5° |
| C41 | C42 | H77 | 109.5° | 109.5° |
| H73 | C41 | H74 | 109.5° | 109.5° |
| H75 | C42 | H76 | 109.4° | 109.5° |
| H75 | C42 | H77 | 109.5° | 109.5° |
| H76 | C42 | H77 | 109.5° | 109.4° |
| C43 | N8 | H78 | 118.0° | 120.0° |
| N8 | C43 | C44 | 109.3° | 109.4° |
| N8 | C43 | C45 | 109.5° | 109.5° |
| N8 | C43 | H79 | 109.5° | 109.4° |
| C43 | N8 | C38 | 123.9° | 120.0° |
| H78 | N8 | C38 | 118.1° | 120.0° |
| C44 | C43 | C45 | 111.5° | 109.5° |
| C44 | C43 | H79 | 108.6° | 109.5° |
| C43 | C44 | O8 | 120.1° | 120.0° |
| C43 | C44 | N9 | 117.5° | 120.0° |
| C45 | C43 | H79 | 108.5° | 109.5° |
| C43 | C45 | C46 | 114.5° | 109.5° |
| C43 | C45 | H80 | 108.2° | 109.5° |
| C43 | C45 | H81 | 108.2° | 109.5° |
| O8 | C44 | N9 | 122.4° | 120.0° |
| C46 | C45 | H80 | 108.2° | 109.5° |
| C46 | C45 | H81 | 108.2° | 109.4° |
| C45 | C46 | C47 | 112.7° | 109.5° |
| C45 | C46 | H82 | 108.7° | 109.5° |
| C45 | C46 | H83 | 108.7° | 109.5° |
| H80 | C45 | H81 | 109.5° | 109.4° |
| C47 | C46 | H82 | 108.7° | 109.5° |
| C47 | C46 | H83 | 108.6° | 109.5° |
| C46 | C47 | C48 | 110.6° | 109.5° |
| C46 | C47 | H84 | 109.2° | 109.5° |
| C46 | C47 | H85 | 109.2° | 109.5° |
| H82 | C46 | H83 | 109.5° | 109.4° |
| C48 | C47 | H84 | 109.2° | 109.5° |
| C48 | C47 | H85 | 109.2° | 109.5° |
| C47 | C48 | H86 | 109.5° | 109.5° |
| C47 | C48 | H87 | 109.5° | 109.5° |
| C47 | C48 | H88 | 109.5° | 109.5° |
| H84 | C47 | H85 | 109.5° | 109.5° |
| H86 | C48 | H87 | 109.5° | 109.4° |
| H86 | C48 | H88 | 109.4° | 109.5° |
| H87 | C48 | H88 | 109.5° | 109.4° |
| C49 | N9 | H89 | 118.3° | 120.0° |
| N9 | C49 | C50 | 109.2° | 109.5° |
| N9 | C49 | C51 | 109.1° | 109.5° |
| N9 | C49 | H90 | 109.6° | 109.5° |
| C49 | N9 | C44 | 123.4° | 120.0° |
| H89 | N9 | C44 | 118.3° | 120.0° |
| C50 | C49 | C51 | 111.8° | 109.5° |
| C50 | C49 | H90 | 108.6° | 109.5° |
| C49 | C50 | O9 | 119.8° | 120.0° |
| C49 | C50 | N10 | 117.0° | 120.0° |
| C51 | C49 | H90 | 108.5° | 109.5° |
| C49 | C51 | C52 | 111.7° | 109.5° |
| C49 | C51 | H91 | 108.9° | 109.5° |
| C49 | C51 | H92 | 108.9° | 109.5° |
| O9 | C50 | N10 | 123.2° | 120.0° |
| C52 | C51 | H91 | 108.9° | 109.5° |
| C52 | C51 | H92 | 108.9° | 109.5° |
| C51 | C52 | C53 | 112.2° | 109.5° |
| C51 | C52 | H93 | 108.8° | 109.5° |
| C51 | C52 | H94 | 108.8° | 109.5° |
| H91 | C51 | H92 | 109.5° | 109.5° |
| C53 | C52 | H93 | 108.8° | 109.5° |
| C53 | C52 | H94 | 108.8° | 109.5° |
| C52 | C53 | C54 | 112.8° | 109.5° |
| C52 | C53 | H95 | 108.6° | 109.5° |
| C52 | C53 | H96 | 108.7° | 109.4° |
| H93 | C52 | H94 | 109.5° | 109.5° |
| C54 | C53 | H95 | 108.7° | 109.5° |
| C54 | C53 | H96 | 108.6° | 109.5° |
| C53 | C54 | H97 | 109.5° | 109.5° |
| C53 | C54 | H98 | 109.4° | 109.5° |
| C53 | C54 | H99 | 109.5° | 109.5° |
| H95 | C53 | H96 | 109.5° | 109.5° |
| H97 | C54 | H98 | 109.5° | 109.4° |
| H97 | C54 | H99 | 109.5° | 109.5° |
| H98 | C54 | H99 | 109.5° | 109.4° |
| C55 | N10 | H100 | 117.2° | 120.0° |
| N10 | C55 | C56 | 107.6° | 109.5° |
| N10 | C55 | C57 | 110.3° | 109.4° |
| N10 | C55 | H101 | 109.6° | 109.5° |
| C55 | N10 | C50 | 125.5° | 120.0° |
| H100 | N10 | C50 | 117.3° | 120.0° |
| C56 | C55 | C57 | 112.3° | 109.4° |
| C56 | C55 | H101 | 108.5° | 109.5° |
| C55 | C56 | O10 | 120.4° | 120.0° |
| C55 | C56 | N11 | 116.9° | 120.0° |
| C57 | C55 | H101 | 108.5° | 109.5° |
| C55 | C57 | C58 | 111.5° | 109.4° |
| C55 | C57 | H102 | 109.0° | 109.5° |
| C55 | C57 | H103 | 108.9° | 109.5° |
| O10 | C56 | N11 | 122.8° | 120.0° |
| C58 | C57 | H102 | 108.9° | 109.5° |
| C58 | C57 | H103 | 109.0° | 109.5° |
| C57 | C58 | C59 | 110.3° | 109.5° |
| C57 | C58 | H104 | 109.3° | 109.5° |
| C57 | C58 | H105 | 109.3° | 109.5° |
| H102 | C57 | H103 | 109.5° | 109.5° |
| C59 | C58 | H104 | 109.3° | 109.4° |
| C59 | C58 | H105 | 109.3° | 109.5° |
| C58 | C59 | C60 | 110.4° | 109.5° |
| C58 | C59 | H106 | 109.3° | 109.5° |
| C58 | C59 | H107 | 109.2° | 109.5° |
| H104 | C58 | H105 | 109.5° | 109.5° |
| C60 | C59 | H106 | 109.3° | 109.5° |
| C60 | C59 | H107 | 109.2° | 109.5° |
| C59 | C60 | H108 | 109.5° | 109.5° |
| C59 | C60 | H109 | 109.5° | 109.5° |
| C59 | C60 | H110 | 109.5° | 109.5° |
| H106 | C59 | H107 | 109.4° | 109.5° |
| H108 | C60 | H109 | 109.4° | 109.5° |
| H108 | C60 | H110 | 109.5° | 109.5° |
| H109 | C60 | H110 | 109.5° | 109.5° |
| C61 | N11 | H111 | 116.8° | 120.0° |
| N11 | C61 | C62 | 109.2° | 109.5° |
| N11 | C61 | C63 | 108.0° | 109.4° |
| N11 | C61 | H112 | 110.2° | 109.5° |
| C61 | N11 | C56 | 126.4° | 120.0° |
| H111 | N11 | C56 | 116.8° | 120.0° |
| C62 | C61 | C63 | 111.3° | 109.5° |
| C62 | C61 | H112 | 109.1° | 109.5° |
| C61 | C62 | O11 | 118.2° | 120.0° |
| C61 | C62 | N12 | 119.7° | 120.0° |
| C63 | C61 | H112 | 109.1° | 109.5° |
| C61 | C63 | C64 | 111.0° | 109.5° |
| C61 | C63 | H113 | 109.1° | 109.5° |
| C61 | C63 | H114 | 109.1° | 109.4° |
| O11 | C62 | N12 | 122.1° | 120.0° |
| C64 | C63 | H113 | 109.1° | 109.4° |
| C64 | C63 | H114 | 109.1° | 109.5° |
| C63 | C64 | C65 | 110.4° | 109.5° |
| C63 | C64 | H115 | 109.2° | 109.5° |
| C63 | C64 | H116 | 109.2° | 109.5° |
| H113 | C63 | H114 | 109.4° | 109.5° |
| C65 | C64 | H115 | 109.2° | 109.5° |
| C65 | C64 | H116 | 109.2° | 109.5° |
| C64 | C65 | C66 | 110.3° | 109.4° |
| C64 | C65 | H117 | 109.2° | 109.5° |
| C64 | C65 | H118 | 109.3° | 109.5° |
| H115 | C64 | H116 | 109.5° | 109.5° |
| C66 | C65 | H117 | 109.3° | 109.5° |
| C66 | C65 | H118 | 109.2° | 109.5° |
| C65 | C66 | H119 | 109.5° | 109.4° |
| C65 | C66 | H120 | 109.5° | 109.5° |
| C65 | C66 | H121 | 109.4° | 109.5° |
| H117 | C65 | H118 | 109.5° | 109.5° |
| H119 | C66 | H120 | 109.4° | 109.4° |
| H119 | C66 | H121 | 109.5° | 109.5° |
| H120 | C66 | H121 | 109.5° | 109.5° |
| N12 | C67 | H122 | 109.5° | 109.5° |
| N12 | C67 | H123 | 109.4° | 109.5° |
| N12 | C67 | H124 | 109.5° | 109.5° |
| C67 | N12 | C68 | 117.1° | 120.0° |
| C67 | N12 | C62 | 122.1° | 120.0° |
| H122 | C67 | H123 | 109.5° | 109.5° |
| H122 | C67 | H124 | 109.4° | 109.4° |
| H123 | C67 | H124 | 109.5° | 109.5° |
| N12 | C68 | C69 | 113.8° | 109.5° |
| N12 | C68 | C70 | 111.0° | 109.5° |
| N12 | C68 | H125 | 107.4° | 109.5° |
| C68 | N12 | C62 | 120.8° | 120.0° |
| C69 | C68 | C70 | 111.0° | 109.5° |
| C69 | C68 | H125 | 106.6° | 109.4° |
| C68 | C69 | O12 | 121.5° | 119.9° |
| C68 | C69 | N13 | 116.9° | 120.0° |
| C70 | C68 | H125 | 106.7° | 109.5° |
| C68 | C70 | C71 | 111.8° | 109.5° |
| C68 | C70 | H126 | 108.9° | 109.5° |
| C68 | C70 | H127 | 108.9° | 109.4° |
| O12 | C69 | N13 | 121.6° | 120.1° |
| C71 | C70 | H126 | 108.9° | 109.5° |
| C71 | C70 | H127 | 108.9° | 109.5° |
| C70 | C71 | C72 | 112.3° | 109.5° |
| C70 | C71 | H128 | 108.8° | 109.5° |
| C70 | C71 | H129 | 108.8° | 109.5° |
| H126 | C70 | H127 | 109.5° | 109.5° |
| C72 | C71 | H128 | 108.7° | 109.4° |
| C72 | C71 | H129 | 108.7° | 109.4° |
| C71 | C72 | C73 | 112.4° | 109.5° |
| C71 | C72 | H130 | 108.7° | 109.5° |
| C71 | C72 | H131 | 108.7° | 109.5° |
| H128 | C71 | H129 | 109.5° | 109.5° |
| C73 | C72 | H130 | 108.8° | 109.4° |
| C73 | C72 | H131 | 108.7° | 109.5° |
| C72 | C73 | H132 | 109.5° | 109.4° |
| C72 | C73 | H133 | 109.5° | 109.5° |
| C72 | C73 | H134 | 109.5° | 109.5° |
| H130 | C72 | H131 | 109.5° | 109.4° |
| H132 | C73 | H133 | 109.5° | 109.4° |
| H132 | C73 | H134 | 109.5° | 109.5° |
| H133 | C73 | H134 | 109.4° | 109.5° |
| C74 | N13 | H135 | 117.6° | 120.0° |
| N13 | C74 | C75 | 109.2° | 109.5° |
| N13 | C74 | C76 | 109.9° | 109.5° |
| N13 | C74 | H136 | 109.6° | 109.5° |
| C74 | N13 | C69 | 124.7° | 120.0° |
| H135 | N13 | C69 | 117.6° | 120.0° |
| C75 | C74 | C76 | 110.9° | 109.5° |
| C75 | C74 | H136 | 108.7° | 109.4° |
| C74 | C75 | O13 | 120.0° | 120.0° |
| C74 | C75 | N14 | 116.3° | 120.0° |
| C76 | C74 | H136 | 108.6° | 109.5° |
| C74 | C76 | C77 | 112.1° | 109.5° |
| C74 | C76 | H137 | 108.8° | 109.5° |
| C74 | C76 | H138 | 108.8° | 109.5° |
| O13 | C75 | N14 | 123.7° | 120.0° |
| C77 | C76 | H137 | 108.8° | 109.4° |
| C77 | C76 | H138 | 108.8° | 109.5° |
| C76 | C77 | C78 | 112.0° | 109.5° |
| C76 | C77 | H139 | 108.8° | 109.5° |
| C76 | C77 | H140 | 108.8° | 109.5° |
| H137 | C76 | H138 | 109.5° | 109.5° |
| C78 | C77 | H139 | 108.8° | 109.5° |
| C78 | C77 | H140 | 108.8° | 109.4° |
| C77 | C78 | C79 | 112.8° | 109.5° |
| C77 | C78 | H141 | 108.6° | 109.5° |
| C77 | C78 | H142 | 108.7° | 109.4° |
| H139 | C77 | H140 | 109.5° | 109.5° |
| C79 | C78 | H141 | 108.7° | 109.5° |
| C79 | C78 | H142 | 108.6° | 109.4° |
| C78 | C79 | H143 | 109.5° | 109.4° |
| C78 | C79 | H144 | 109.5° | 109.5° |
| C78 | C79 | H145 | 109.5° | 109.4° |
| H141 | C78 | H142 | 109.5° | 109.5° |
| H143 | C79 | H144 | 109.4° | 109.5° |
| H143 | C79 | H145 | 109.5° | 109.5° |
| H144 | C79 | H145 | 109.5° | 109.5° |
| C80 | N14 | H146 | 117.4° | 120.0° |
| N14 | C80 | C81 | 108.4° | 109.5° |
| N14 | C80 | C82 | 110.4° | 109.4° |
| N14 | C80 | H147 | 109.3° | 109.5° |
| C80 | N14 | C75 | 125.3° | 120.0° |
| H146 | N14 | C75 | 117.3° | 120.0° |
| C81 | C80 | C82 | 112.2° | 109.5° |
| C81 | C80 | H147 | 108.3° | 109.5° |
| C80 | C81 | O14 | 120.9° | 120.0° |
| C80 | C81 | N15 | 116.3° | 120.0° |
| C82 | C80 | H147 | 108.3° | 109.4° |
| C80 | C82 | C83 | 111.9° | 109.5° |
| C80 | C82 | H148 | 108.9° | 109.4° |
| C80 | C82 | H149 | 108.8° | 109.5° |
| O14 | C81 | N15 | 122.9° | 120.0° |
| C83 | C82 | H148 | 108.8° | 109.5° |
| C83 | C82 | H149 | 108.8° | 109.5° |
| C82 | C83 | C84 | 110.4° | 109.5° |
| C82 | C83 | H150 | 109.2° | 109.5° |
| C82 | C83 | H151 | 109.3° | 109.5° |
| H148 | C82 | H149 | 109.5° | 109.5° |
| C84 | C83 | H150 | 109.3° | 109.4° |
| C84 | C83 | H151 | 109.2° | 109.5° |
| C83 | C84 | C85 | 110.4° | 109.5° |
| C83 | C84 | H152 | 109.2° | 109.5° |
| C83 | C84 | H153 | 109.3° | 109.5° |
| H150 | C83 | H151 | 109.5° | 109.5° |
| C85 | C84 | H152 | 109.2° | 109.5° |
| C85 | C84 | H153 | 109.2° | 109.4° |
| C84 | C85 | H154 | 109.5° | 109.5° |
| C84 | C85 | H155 | 109.5° | 109.5° |
| C84 | C85 | H156 | 109.4° | 109.5° |
| H152 | C84 | H153 | 109.4° | 109.5° |
| H154 | C85 | H155 | 109.5° | 109.4° |
| H154 | C85 | H156 | 109.5° | 109.5° |
| H155 | C85 | H156 | 109.4° | 109.4° |
| C86 | N15 | H157 | 116.9° | 120.0° |
| N15 | C86 | C87 | 113.1° | 109.5° |
| N15 | C86 | C88 | 109.9° | 109.4° |
| N15 | C86 | H158 | 107.5° | 109.5° |
| C86 | N15 | C81 | 126.3° | 120.0° |
| H157 | N15 | C81 | 116.8° | 120.0° |
| C87 | C86 | C88 | 112.7° | 109.5° |
| C87 | C86 | H158 | 106.6° | 109.5° |
| C86 | C87 | O15 | 119.8° | 120.0° |
| C86 | C87 | O16 | 116.0° | 120.0° |
| C88 | C86 | H158 | 106.6° | 109.5° |
| C86 | C88 | C89 | 111.4° | 109.5° |
| C86 | C88 | H160 | 109.0° | 109.5° |
| C86 | C88 | H161 | 109.0° | 109.4° |
| O15 | C87 | O16 | 124.2° | 120.0° |
| C87 | O16 | H159 | 109.5° | 117.0° |
| C89 | C88 | H160 | 109.0° | 109.5° |
| C89 | C88 | H161 | 109.0° | 109.5° |
| C88 | C89 | C90 | 110.6° | 109.5° |
| C88 | C89 | H162 | 109.2° | 109.5° |
| C88 | C89 | H163 | 109.2° | 109.5° |
| H160 | C88 | H161 | 109.5° | 109.5° |
| C90 | C89 | H162 | 109.2° | 109.4° |
| C90 | C89 | H163 | 109.2° | 109.5° |
| C89 | C90 | C91 | 110.3° | 109.5° |
| C89 | C90 | H164 | 109.2° | 109.4° |
| C89 | C90 | H165 | 109.3° | 109.5° |
| H162 | C89 | H163 | 109.5° | 109.5° |
| C91 | C90 | H164 | 109.3° | 109.5° |
| C91 | C90 | H165 | 109.3° | 109.5° |
| C90 | C91 | H166 | 109.5° | 109.5° |
| C90 | C91 | H167 | 109.5° | 109.5° |
| C90 | C91 | H168 | 109.5° | 109.5° |
| H164 | C90 | H165 | 109.5° | 109.5° |
| H166 | C91 | H167 | 109.5° | 109.4° |
| H166 | C91 | H168 | 109.4° | 109.5° |
| H167 | C91 | H168 | 109.5° | 109.5° |
| O17 | C92 | O18 | 121.7° | 120.1° |
| O17 | C92 | N1 | 118.4° | 120.0° |
| C92 | O18 | C93 | 119.6° | 116.9° |
| O18 | C92 | N1 | 119.9° | 119.9° |
| O18 | C93 | C94 | 111.9° | 109.5° |
| O18 | C93 | C95 | 113.8° | 109.4° |
| O18 | C93 | C96 | 105.6° | 109.5° |
| C94 | C93 | C95 | 111.0° | 109.5° |
| C94 | C93 | C96 | 107.2° | 109.5° |
| C93 | C94 | H169 | 109.5° | 109.5° |
| C93 | C94 | H170 | 109.5° | 109.4° |
| C93 | C94 | H171 | 109.5° | 109.5° |
| C95 | C93 | C96 | 106.8° | 109.5° |
| C93 | C95 | H172 | 109.5° | 109.5° |
| C93 | C95 | H173 | 109.5° | 109.5° |
| C93 | C95 | H174 | 109.5° | 109.4° |
| C93 | C96 | H175 | 109.5° | 109.5° |
| C93 | C96 | H176 | 109.5° | 109.5° |
| C93 | C96 | H177 | 109.5° | 109.5° |
| H169 | C94 | H170 | 109.5° | 109.4° |
| H169 | C94 | H171 | 109.5° | 109.5° |
| H170 | C94 | H171 | 109.5° | 109.5° |
| H172 | C95 | H173 | 109.5° | 109.5° |
| H172 | C95 | H174 | 109.5° | 109.5° |
| H173 | C95 | H174 | 109.5° | 109.4° |
| H175 | C96 | H176 | 109.5° | 109.5° |
| H175 | C96 | H177 | 109.5° | 109.4° |
| H176 | C96 | H177 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C92 | 180.0° | 179.7° |
| N1 | C1 | C2 | C3 | 123.2° | 120.0° |
| N1 | C1 | C2 | H2 | 118.9° | 120.1° |
| N1 | C1 | C3 | H2 | 117.8° | 120.1° |
| N1 | C1 | C2 | O1 | 18.7° | 0.1° |
| N1 | C1 | C3 | C4 | 56.3° | 65.0° |
| N1 | C1 | C3 | H3 | 176.8° | 54.9° |
| N1 | C1 | C3 | H4 | 64.1° | 175.0° |
| C1 | N1 | C92 | O17 | 1.5° | 0.1° |
| C1 | N1 | C92 | O18 | 178.4° | 180.0° |
| N1 | C1 | C2 | N2 | 161.2° | 180.0° |
| H1 | N1 | C1 | C2 | 51.5° | 24.9° |
| H1 | N1 | C1 | C3 | 72.9° | 95.0° |
| H1 | N1 | C1 | H2 | 169.9° | 145.0° |
| H1 | N1 | C92 | O17 | 178.6° | 179.7° |
| H1 | N1 | C92 | O18 | 1.5° | 0.3° |
| C2 | C1 | C3 | H2 | 118.0° | 120.0° |
| C1 | C2 | O1 | N2 | 179.9° | 179.9° |
| C2 | C1 | C3 | C4 | 67.9° | 175.0° |
| C2 | C1 | C3 | H3 | 52.5° | 65.0° |
| C2 | C1 | C3 | H4 | 171.6° | 55.0° |
| C1 | C2 | N2 | C7 | 174.7° | 180.0° |
| C1 | C2 | N2 | H12 | 5.3° | 0.1° |
| C2 | C1 | N1 | C92 | 128.5° | 154.7° |
| C3 | C1 | C2 | O1 | 104.5° | 120.0° |
| C1 | C3 | C4 | H3 | 120.4° | 120.0° |
| C1 | C3 | C4 | H4 | 120.5° | 120.0° |
| C1 | C3 | H3 | H4 | 118.6° | 120.0° |
| C1 | C3 | C4 | C5 | 173.9° | 180.0° |
| C1 | C3 | C4 | H5 | 66.1° | 60.0° |
| C1 | C3 | C4 | H6 | 53.7° | 60.0° |
| C3 | C1 | C2 | N2 | 75.6° | 60.0° |
| C3 | C1 | N1 | C92 | 107.1° | 85.3° |
| H2 | C1 | C2 | O1 | 137.6° | 120.0° |
| H2 | C1 | C3 | C4 | 174.1° | 55.0° |
| H2 | C1 | C3 | H3 | 65.4° | 175.0° |
| H2 | C1 | C3 | H4 | 53.7° | 65.0° |
| H2 | C1 | C2 | N2 | 42.3° | 59.9° |
| H2 | C1 | N1 | C92 | 10.1° | 34.7° |
| O1 | C2 | N2 | C7 | 5.2° | 0.1° |
| O1 | C2 | N2 | H12 | 174.8° | 180.0° |
| C4 | C3 | H3 | H4 | 118.6° | 120.0° |
| C3 | C4 | C5 | H5 | 120.1° | 120.0° |
| C3 | C4 | C5 | H6 | 120.1° | 120.0° |
| C3 | C4 | H5 | H6 | 119.7° | 120.0° |
| C3 | C4 | C5 | C6 | 174.9° | 180.0° |
| C3 | C4 | C5 | H7 | 64.8° | 60.0° |
| C3 | C4 | C5 | H8 | 54.4° | 59.9° |
| H3 | C3 | C4 | C5 | 53.4° | 60.0° |
| H3 | C3 | C4 | H5 | 173.5° | 180.0° |
| H3 | C3 | C4 | H6 | 66.7° | 60.0° |
| H4 | C3 | C4 | C5 | 65.7° | 60.0° |
| H4 | C3 | C4 | H5 | 54.4° | 60.0° |
| H4 | C3 | C4 | H6 | 174.2° | 180.0° |
| C5 | C4 | H5 | H6 | 119.7° | 120.0° |
| C4 | C5 | C6 | H7 | 120.4° | 120.0° |
| C4 | C5 | C6 | H8 | 120.4° | 120.0° |
| C4 | C5 | H7 | H8 | 118.8° | 119.9° |
| C4 | C5 | C6 | H9 | 180.0° | 60.0° |
| C4 | C5 | C6 | H10 | 60.0° | 60.0° |
| C4 | C5 | C6 | H11 | 60.0° | 180.0° |
| H5 | C4 | C5 | C6 | 54.8° | 60.0° |
| H5 | C4 | C5 | H7 | 175.1° | 180.0° |
| H5 | C4 | C5 | H8 | 65.7° | 60.1° |
| H6 | C4 | C5 | C6 | 65.0° | 60.0° |
| H6 | C4 | C5 | H7 | 55.4° | 60.0° |
| H6 | C4 | C5 | H8 | 174.6° | 180.0° |
| C6 | C5 | H7 | H8 | 118.7° | 120.1° |
| C5 | C6 | H9 | H10 | 120.0° | 120.0° |
| C5 | C6 | H9 | H11 | 120.0° | 120.0° |
| C5 | C6 | H10 | H11 | 120.0° | 120.0° |
| H7 | C5 | C6 | H9 | 59.6° | 179.9° |
| H7 | C5 | C6 | H10 | 179.6° | 60.0° |
| H7 | C5 | C6 | H11 | 60.4° | 60.0° |
| H8 | C5 | C6 | H9 | 59.6° | 60.0° |
| H8 | C5 | C6 | H10 | 60.5° | 180.0° |
| H8 | C5 | C6 | H11 | 179.6° | 60.0° |
| H9 | C6 | H10 | H11 | 120.0° | 120.1° |
| C7 | N2 | H12 | C2 | 180.0° | 179.9° |
| N2 | C7 | C8 | C9 | 122.8° | 120.0° |
| N2 | C7 | C8 | H13 | 117.8° | 120.0° |
| N2 | C7 | C9 | H13 | 120.0° | 119.9° |
| N2 | C7 | C8 | O2 | 123.8° | 0.1° |
| N2 | C7 | C9 | C10 | 62.6° | 65.0° |
| N2 | C7 | C9 | H14 | 177.0° | 175.0° |
| N2 | C7 | C9 | H15 | 57.7° | 55.0° |
| N2 | C7 | C8 | N3 | 55.7° | 180.0° |
| H12 | N2 | C7 | C8 | 40.6° | 25.1° |
| H12 | N2 | C7 | C9 | 82.9° | 95.0° |
| H12 | N2 | C7 | H13 | 157.8° | 145.1° |
| C8 | C7 | C9 | H13 | 119.5° | 120.0° |
| C7 | C8 | O2 | N3 | 179.5° | 179.9° |
| C8 | C7 | C9 | C10 | 176.8° | 175.0° |
| C8 | C7 | C9 | H14 | 56.5° | 55.0° |
| C8 | C7 | C9 | H15 | 62.8° | 65.0° |
| C7 | C8 | N3 | C13 | 175.2° | 179.9° |
| C7 | C8 | N3 | H23 | 4.8° | 0.0° |
| C8 | C7 | N2 | C2 | 139.4° | 155.0° |
| C9 | C7 | C8 | O2 | 1.0° | 120.0° |
| C7 | C9 | C10 | H14 | 120.4° | 120.0° |
| C7 | C9 | C10 | H15 | 120.4° | 120.0° |
| C7 | C9 | H14 | H15 | 118.9° | 120.0° |
| C7 | C9 | C10 | C11 | 178.1° | 180.0° |
| C7 | C9 | C10 | H16 | 61.4° | 60.0° |
| C7 | C9 | C10 | H17 | 57.5° | 60.0° |
| C9 | C7 | N2 | C2 | 97.1° | 84.9° |
| C9 | C7 | C8 | N3 | 178.5° | 60.0° |
| H13 | C7 | C8 | O2 | 118.4° | 120.0° |
| H13 | C7 | C9 | C10 | 57.3° | 55.0° |
| H13 | C7 | C9 | H14 | 63.0° | 65.0° |
| H13 | C7 | C9 | H15 | 177.7° | 175.0° |
| H13 | C7 | N2 | C2 | 22.2° | 35.0° |
| H13 | C7 | C8 | N3 | 62.1° | 60.1° |
| O2 | C8 | N3 | C13 | 5.3° | 0.0° |
| O2 | C8 | N3 | H23 | 174.7° | 180.0° |
| C10 | C9 | H14 | H15 | 118.9° | 120.0° |
| C9 | C10 | C11 | H16 | 120.5° | 120.0° |
| C9 | C10 | C11 | H17 | 120.5° | 120.0° |
| C9 | C10 | H16 | H17 | 118.3° | 120.0° |
| C9 | C10 | C11 | C12 | 59.8° | 180.0° |
| C9 | C10 | C11 | H18 | 61.0° | 60.0° |
| C9 | C10 | C11 | H19 | 179.4° | 59.9° |
| H14 | C9 | C10 | C11 | 57.7° | 60.0° |
| H14 | C9 | C10 | H16 | 178.3° | 180.0° |
| H14 | C9 | C10 | H17 | 62.9° | 60.0° |
| H15 | C9 | C10 | C11 | 61.6° | 60.0° |
| H15 | C9 | C10 | H16 | 59.0° | 60.0° |
| H15 | C9 | C10 | H17 | 177.9° | 180.0° |
| C11 | C10 | H16 | H17 | 118.4° | 120.0° |
| C10 | C11 | C12 | H18 | 120.8° | 120.0° |
| C10 | C11 | C12 | H19 | 120.8° | 120.1° |
| C10 | C11 | H18 | H19 | 117.5° | 120.0° |
| C10 | C11 | C12 | H20 | 180.0° | 180.0° |
| C10 | C11 | C12 | H21 | 60.0° | 60.0° |
| C10 | C11 | C12 | H22 | 60.0° | 60.0° |
| H16 | C10 | C11 | C12 | 179.7° | 60.0° |
| H16 | C10 | C11 | H18 | 59.5° | 180.0° |
| H16 | C10 | C11 | H19 | 58.9° | 60.1° |
| H17 | C10 | C11 | C12 | 60.8° | 60.0° |
| H17 | C10 | C11 | H18 | 178.4° | 60.0° |
| H17 | C10 | C11 | H19 | 60.1° | 179.9° |
| C12 | C11 | H18 | H19 | 117.5° | 120.0° |
| C11 | C12 | H20 | H21 | 120.0° | 120.0° |
| C11 | C12 | H20 | H22 | 120.0° | 120.0° |
| C11 | C12 | H21 | H22 | 120.0° | 120.0° |
| H18 | C11 | C12 | H20 | 59.2° | 60.0° |
| H18 | C11 | C12 | H21 | 179.2° | 180.0° |
| H18 | C11 | C12 | H22 | 60.8° | 60.0° |
| H19 | C11 | C12 | H20 | 59.2° | 59.9° |
| H19 | C11 | C12 | H21 | 60.8° | 60.0° |
| H19 | C11 | C12 | H22 | 179.2° | 180.0° |
| H20 | C12 | H21 | H22 | 120.0° | 120.0° |
| C13 | N3 | H23 | C8 | 180.0° | 180.0° |
| N3 | C13 | C14 | C15 | 120.9° | 120.0° |
| N3 | C13 | C14 | H24 | 120.1° | 120.0° |
| N3 | C13 | C15 | H24 | 119.7° | 120.0° |
| N3 | C13 | C14 | O3 | 26.7° | 0.0° |
| N3 | C13 | C15 | C16 | 54.4° | 65.0° |
| N3 | C13 | C15 | H25 | 66.2° | 55.0° |
| N3 | C13 | C15 | H26 | 175.0° | 175.0° |
| N3 | C13 | C14 | N4 | 154.7° | 180.0° |
| H23 | N3 | C13 | C14 | 69.3° | 25.0° |
| H23 | N3 | C13 | C15 | 52.2° | 95.0° |
| H23 | N3 | C13 | H24 | 171.3° | 145.0° |
| C14 | C13 | C15 | H24 | 119.1° | 120.0° |
| C13 | C14 | O3 | N4 | 178.6° | 180.0° |
| C14 | C13 | C15 | C16 | 175.6° | 175.0° |
| C14 | C13 | C15 | H25 | 55.0° | 65.0° |
| C14 | C13 | C15 | H26 | 63.8° | 55.0° |
| C13 | C14 | N4 | C19 | 173.9° | 179.9° |
| C13 | C14 | N4 | H34 | 6.1° | 0.0° |
| C14 | C13 | N3 | C8 | 110.7° | 155.0° |
| C15 | C13 | C14 | O3 | 94.2° | 120.0° |
| C13 | C15 | C16 | H25 | 120.6° | 120.1° |
| C13 | C15 | C16 | H26 | 120.6° | 120.0° |
| C13 | C15 | H25 | H26 | 118.2° | 120.0° |
| C13 | C15 | C16 | C17 | 59.5° | 180.0° |
| C13 | C15 | C16 | H27 | 60.9° | 60.0° |
| C13 | C15 | C16 | H28 | 179.9° | 60.0° |
| C15 | C13 | N3 | C8 | 127.7° | 85.0° |
| C15 | C13 | C14 | N4 | 84.4° | 60.0° |
| H24 | C13 | C14 | O3 | 146.7° | 120.0° |
| H24 | C13 | C15 | C16 | 65.3° | 55.0° |
| H24 | C13 | C15 | H25 | 174.1° | 175.0° |
| H24 | C13 | C15 | H26 | 55.3° | 65.0° |
| H24 | C13 | N3 | C8 | 8.7° | 35.0° |
| H24 | C13 | C14 | N4 | 34.6° | 60.0° |
| O3 | C14 | N4 | C19 | 4.7° | 0.1° |
| O3 | C14 | N4 | H34 | 175.3° | 180.0° |
| C16 | C15 | H25 | H26 | 118.2° | 120.0° |
| C15 | C16 | C17 | H27 | 120.4° | 120.0° |
| C15 | C16 | C17 | H28 | 120.4° | 119.9° |
| C15 | C16 | H27 | H28 | 118.7° | 119.9° |
| C15 | C16 | C17 | C18 | 171.3° | 180.0° |
| C15 | C16 | C17 | H29 | 50.9° | 60.0° |
| C15 | C16 | C17 | H30 | 68.3° | 60.0° |
| H25 | C15 | C16 | C17 | 179.9° | 60.0° |
| H25 | C15 | C16 | H27 | 59.7° | 180.0° |
| H25 | C15 | C16 | H28 | 59.5° | 60.0° |
| H26 | C15 | C16 | C17 | 61.1° | 60.0° |
| H26 | C15 | C16 | H27 | 178.5° | 60.0° |
| H26 | C15 | C16 | H28 | 59.3° | 180.0° |
| C17 | C16 | H27 | H28 | 118.7° | 120.0° |
| C16 | C17 | C18 | H29 | 120.4° | 120.0° |
| C16 | C17 | C18 | H30 | 120.4° | 120.1° |
| C16 | C17 | H29 | H30 | 118.8° | 120.0° |
| C16 | C17 | C18 | H31 | 180.0° | 60.0° |
| C16 | C17 | C18 | H32 | 60.0° | 180.0° |
| C16 | C17 | C18 | H33 | 60.0° | 60.0° |
| H27 | C16 | C17 | C18 | 68.3° | 60.0° |
| H27 | C16 | C17 | H29 | 171.4° | 180.0° |
| H27 | C16 | C17 | H30 | 52.1° | 60.0° |
| H28 | C16 | C17 | C18 | 50.9° | 60.0° |
| H28 | C16 | C17 | H29 | 69.5° | 60.0° |
| H28 | C16 | C17 | H30 | 171.3° | 179.9° |
| C18 | C17 | H29 | H30 | 118.8° | 120.0° |
| C17 | C18 | H31 | H32 | 120.0° | 120.0° |
| C17 | C18 | H31 | H33 | 120.0° | 120.0° |
| C17 | C18 | H32 | H33 | 120.0° | 120.0° |
| H29 | C17 | C18 | H31 | 59.6° | 60.0° |
| H29 | C17 | C18 | H32 | 179.6° | 59.9° |
| H29 | C17 | C18 | H33 | 60.4° | 180.0° |
| H30 | C17 | C18 | H31 | 59.6° | 179.9° |
| H30 | C17 | C18 | H32 | 60.4° | 60.0° |
| H30 | C17 | C18 | H33 | 179.6° | 60.1° |
| H31 | C18 | H32 | H33 | 120.0° | 120.0° |
| C19 | N4 | H34 | C14 | 180.0° | 179.9° |
| N4 | C19 | C20 | C21 | 120.7° | 120.0° |
| N4 | C19 | C20 | H35 | 120.2° | 119.9° |
| N4 | C19 | C21 | H35 | 119.6° | 120.0° |
| N4 | C19 | C20 | O4 | 76.8° | 0.1° |
| N4 | C19 | C21 | C22 | 63.0° | 65.0° |
| N4 | C19 | C21 | H36 | 176.7° | 175.0° |
| N4 | C19 | C21 | H37 | 57.4° | 55.0° |
| N4 | C19 | C20 | N5 | 104.3° | 180.0° |
| H34 | N4 | C19 | C20 | 53.7° | 25.1° |
| H34 | N4 | C19 | C21 | 67.7° | 94.9° |
| H34 | N4 | C19 | H35 | 173.3° | 145.0° |
| C20 | C19 | C21 | H35 | 119.1° | 120.0° |
| C19 | C20 | O4 | N5 | 178.9° | 179.9° |
| C20 | C19 | C21 | C22 | 175.7° | 175.0° |
| C20 | C19 | C21 | H36 | 55.4° | 55.0° |
| C20 | C19 | C21 | H37 | 63.9° | 65.0° |
| C19 | C20 | N5 | C25 | 174.7° | 179.9° |
| C19 | C20 | N5 | H45 | 5.3° | 0.0° |
| C20 | C19 | N4 | C14 | 126.3° | 155.0° |
| C21 | C19 | C20 | O4 | 44.0° | 119.9° |
| C19 | C21 | C22 | H36 | 120.4° | 120.0° |
| C19 | C21 | C22 | H37 | 120.4° | 120.1° |
| C19 | C21 | H36 | H37 | 119.0° | 120.0° |
| C19 | C21 | C22 | C23 | 170.6° | 179.9° |
| C19 | C21 | C22 | H38 | 69.1° | 60.0° |
| C19 | C21 | C22 | H39 | 50.2° | 60.0° |
| C21 | C19 | N4 | C14 | 112.3° | 85.0° |
| C21 | C19 | C20 | N5 | 134.9° | 60.0° |
| H35 | C19 | C20 | O4 | 163.0° | 120.0° |
| H35 | C19 | C21 | C22 | 56.6° | 55.0° |
| H35 | C19 | C21 | H36 | 63.7° | 65.0° |
| H35 | C19 | C21 | H37 | 177.0° | 175.0° |
| H35 | C19 | N4 | C14 | 6.6° | 35.1° |
| H35 | C19 | C20 | N5 | 15.9° | 60.1° |
| O4 | C20 | N5 | C25 | 4.2° | 0.0° |
| O4 | C20 | N5 | H45 | 175.8° | 179.9° |
| C22 | C21 | H36 | H37 | 118.9° | 120.0° |
| C21 | C22 | C23 | H38 | 120.3° | 120.0° |
| C21 | C22 | C23 | H39 | 120.3° | 120.0° |
| C21 | C22 | H38 | H39 | 119.0° | 120.0° |
| C21 | C22 | C23 | C24 | 63.2° | 180.0° |
| C21 | C22 | C23 | H40 | 176.4° | 60.0° |
| C21 | C22 | C23 | H41 | 57.2° | 60.0° |
| H36 | C21 | C22 | C23 | 50.2° | 60.0° |
| H36 | C21 | C22 | H38 | 170.5° | 180.0° |
| H36 | C21 | C22 | H39 | 70.1° | 60.0° |
| H37 | C21 | C22 | C23 | 69.1° | 60.0° |
| H37 | C21 | C22 | H38 | 51.3° | 60.1° |
| H37 | C21 | C22 | H39 | 170.6° | 180.0° |
| C23 | C22 | H38 | H39 | 119.0° | 120.0° |
| C22 | C23 | C24 | H40 | 120.4° | 120.0° |
| C22 | C23 | C24 | H41 | 120.4° | 119.9° |
| C22 | C23 | H40 | H41 | 118.6° | 120.0° |
| C22 | C23 | C24 | H42 | 180.0° | 180.0° |
| C22 | C23 | C24 | H43 | 60.0° | 60.0° |
| C22 | C23 | C24 | H44 | 60.0° | 60.1° |
| H38 | C22 | C23 | C24 | 57.1° | 60.0° |
| H38 | C22 | C23 | H40 | 63.3° | 180.0° |
| H38 | C22 | C23 | H41 | 177.5° | 60.0° |
| H39 | C22 | C23 | C24 | 176.5° | 60.0° |
| H39 | C22 | C23 | H40 | 56.0° | 60.0° |
| H39 | C22 | C23 | H41 | 63.1° | 180.0° |
| C24 | C23 | H40 | H41 | 118.6° | 120.0° |
| C23 | C24 | H42 | H43 | 120.0° | 120.0° |
| C23 | C24 | H42 | H44 | 120.0° | 120.0° |
| C23 | C24 | H43 | H44 | 120.0° | 120.1° |
| H40 | C23 | C24 | H42 | 59.6° | 60.0° |
| H40 | C23 | C24 | H43 | 179.6° | 180.0° |
| H40 | C23 | C24 | H44 | 60.4° | 60.0° |
| H41 | C23 | C24 | H42 | 59.6° | 60.0° |
| H41 | C23 | C24 | H43 | 60.4° | 59.9° |
| H41 | C23 | C24 | H44 | 179.6° | 180.0° |
| H42 | C24 | H43 | H44 | 120.0° | 119.9° |
| C25 | N5 | H45 | C20 | 180.0° | 180.0° |
| N5 | C25 | C26 | C27 | 123.9° | 120.0° |
| N5 | C25 | C26 | H46 | 119.3° | 119.9° |
| N5 | C25 | C27 | H46 | 118.0° | 120.0° |
| N5 | C25 | C26 | O5 | 27.3° | 0.0° |
| N5 | C25 | C27 | C28 | 61.6° | 65.0° |
| N5 | C25 | C27 | H47 | 58.8° | 55.0° |
| N5 | C25 | C27 | H48 | 178.0° | 175.0° |
| N5 | C25 | C26 | N6 | 153.2° | 180.0° |
| H45 | N5 | C25 | C26 | 39.6° | 25.0° |
| H45 | N5 | C25 | C27 | 84.2° | 95.0° |
| H45 | N5 | C25 | H46 | 158.4° | 145.0° |
| C26 | C25 | C27 | H46 | 116.9° | 120.0° |
| C25 | C26 | O5 | N6 | 179.4° | 180.0° |
| C26 | C25 | C27 | C28 | 173.2° | 175.0° |
| C26 | C25 | C27 | H47 | 66.3° | 65.0° |
| C26 | C25 | C27 | H48 | 52.8° | 55.0° |
| C25 | C26 | N6 | C31 | 178.5° | 180.0° |
| C25 | C26 | N6 | H56 | 1.5° | 0.0° |
| C26 | C25 | N5 | C20 | 140.4° | 155.0° |
| C27 | C25 | C26 | O5 | 96.6° | 120.0° |
| C25 | C27 | C28 | H47 | 120.4° | 120.0° |
| C25 | C27 | C28 | H48 | 120.4° | 120.0° |
| C25 | C27 | H47 | H48 | 118.7° | 120.0° |
| C25 | C27 | C28 | C29 | 171.7° | 180.0° |
| C25 | C27 | C28 | H49 | 51.5° | 60.0° |
| C25 | C27 | C28 | H50 | 68.2° | 60.0° |
| C27 | C25 | N5 | C20 | 95.8° | 85.0° |
| C27 | C25 | C26 | N6 | 82.8° | 60.0° |
| H46 | C25 | C26 | O5 | 146.6° | 119.9° |
| H46 | C25 | C27 | C28 | 56.4° | 55.0° |
| H46 | C25 | C27 | H47 | 176.8° | 175.0° |
| H46 | C25 | C27 | H48 | 64.1° | 65.0° |
| H46 | C25 | N5 | C20 | 21.6° | 35.1° |
| H46 | C25 | C26 | N6 | 34.0° | 60.1° |
| O5 | C26 | N6 | C31 | 2.1° | 0.0° |
| O5 | C26 | N6 | H56 | 177.9° | 180.0° |
| C28 | C27 | H47 | H48 | 118.7° | 120.0° |
| C27 | C28 | C29 | H49 | 120.2° | 120.0° |
| C27 | C28 | C29 | H50 | 120.1° | 120.0° |
| C27 | C28 | H49 | H50 | 119.5° | 120.0° |
| C27 | C28 | C29 | C30 | 179.1° | 180.0° |
| C27 | C28 | C29 | H51 | 60.7° | 60.0° |
| C27 | C28 | C29 | H52 | 59.0° | 60.0° |
| H47 | C27 | C28 | C29 | 67.9° | 60.0° |
| H47 | C27 | C28 | H49 | 172.0° | NaN° |
| H47 | C27 | C28 | H50 | 52.3° | 60.0° |
| H48 | C27 | C28 | C29 | 51.2° | 60.0° |
| H48 | C27 | C28 | H49 | 68.9° | 60.0° |
| H48 | C27 | C28 | H50 | 171.4° | 180.0° |
| C29 | C28 | H49 | H50 | 119.5° | 120.0° |
| C28 | C29 | C30 | H51 | 120.2° | 120.0° |
| C28 | C29 | C30 | H52 | 120.1° | 120.0° |
| C28 | C29 | H51 | H52 | 119.6° | 120.0° |
| C28 | C29 | C30 | H53 | 180.0° | 60.0° |
| C28 | C29 | C30 | H54 | 60.0° | 179.9° |
| C28 | C29 | C30 | H55 | 60.0° | 60.0° |
| H49 | C28 | C29 | C30 | 59.0° | 60.0° |
| H49 | C28 | C29 | H51 | 179.1° | 180.0° |
| H49 | C28 | C29 | H52 | 61.1° | 60.0° |
| H50 | C28 | C29 | C30 | 60.7° | 60.0° |
| H50 | C28 | C29 | H51 | 59.4° | 60.0° |
| H50 | C28 | C29 | H52 | 179.2° | 180.0° |
| C30 | C29 | H51 | H52 | 119.6° | 120.0° |
| C29 | C30 | H53 | H54 | 120.0° | 120.0° |
| C29 | C30 | H53 | H55 | 120.0° | 120.0° |
| C29 | C30 | H54 | H55 | 120.0° | 119.9° |
| H51 | C29 | C30 | H53 | 59.9° | 60.0° |
| H51 | C29 | C30 | H54 | 179.8° | 60.0° |
| H51 | C29 | C30 | H55 | 60.2° | 180.0° |
| H52 | C29 | C30 | H53 | 59.9° | 180.0° |
| H52 | C29 | C30 | H54 | 60.1° | 59.9° |
| H52 | C29 | C30 | H55 | 179.9° | 60.0° |
| H53 | C30 | H54 | H55 | 120.0° | 120.0° |
| C31 | N6 | H56 | C26 | 180.0° | 180.0° |
| N6 | C31 | C32 | C33 | 120.5° | 120.0° |
| N6 | C31 | C32 | H57 | 118.8° | 120.0° |
| N6 | C31 | C33 | H57 | 120.7° | 120.0° |
| N6 | C31 | C32 | O6 | 121.5° | 0.0° |
| N6 | C31 | C33 | C34 | 61.1° | 65.0° |
| N6 | C31 | C33 | H58 | 178.6° | 175.0° |
| N6 | C31 | C33 | H59 | 59.2° | 55.0° |
| N6 | C31 | C32 | N7 | 57.3° | 180.0° |
| H56 | N6 | C31 | C32 | 44.0° | 25.0° |
| H56 | N6 | C31 | C33 | 77.9° | 95.0° |
| H56 | N6 | C31 | H57 | 162.1° | 144.9° |
| C32 | C31 | C33 | H57 | 120.7° | 120.0° |
| C31 | C32 | O6 | N7 | 178.7° | 179.9° |
| C32 | C31 | C33 | C34 | 179.6° | 175.0° |
| C32 | C31 | C33 | H58 | 60.1° | 55.0° |
| C32 | C31 | C33 | H59 | 59.3° | 65.0° |
| C31 | C32 | N7 | C37 | 178.9° | 179.9° |
| C31 | C32 | N7 | H67 | 1.1° | 0.1° |
| C32 | C31 | N6 | C26 | 136.0° | 155.0° |
| C33 | C31 | C32 | O6 | 1.0° | 120.0° |
| C31 | C33 | C34 | H58 | 120.3° | 119.9° |
| C31 | C33 | C34 | H59 | 120.3° | 120.0° |
| C31 | C33 | H58 | H59 | 119.1° | 120.0° |
| C31 | C33 | C34 | C35 | 169.0° | 180.0° |
| C31 | C33 | C34 | H60 | 70.6° | 60.0° |
| C31 | C33 | C34 | H61 | 48.6° | 60.0° |
| C33 | C31 | N6 | C26 | 102.2° | 85.0° |
| C33 | C31 | C32 | N7 | 177.8° | 60.0° |
| H57 | C31 | C32 | O6 | 119.7° | 119.9° |
| H57 | C31 | C33 | C34 | 59.6° | 55.0° |
| H57 | C31 | C33 | H58 | 60.7° | 65.0° |
| H57 | C31 | C33 | H59 | 179.9° | 175.0° |
| H57 | C31 | N6 | C26 | 17.9° | 35.0° |
| H57 | C31 | C32 | N7 | 61.5° | 60.0° |
| O6 | C32 | N7 | C37 | 2.3° | 0.1° |
| O6 | C32 | N7 | H67 | 177.7° | 180.0° |
| C34 | C33 | H58 | H59 | 119.1° | 120.0° |
| C33 | C34 | C35 | H60 | 120.4° | 120.0° |
| C33 | C34 | C35 | H61 | 120.4° | 120.0° |
| C33 | C34 | H60 | H61 | 118.7° | 120.0° |
| C33 | C34 | C35 | C36 | 63.5° | 180.0° |
| C33 | C34 | C35 | H62 | 176.1° | 60.0° |
| C33 | C34 | C35 | H63 | 56.9° | 60.0° |
| H58 | C33 | C34 | C35 | 48.7° | 60.0° |
| H58 | C33 | C34 | H60 | 169.1° | 179.9° |
| H58 | C33 | C34 | H61 | 71.7° | 60.0° |
| H59 | C33 | C34 | C35 | 70.7° | 60.0° |
| H59 | C33 | C34 | H60 | 49.7° | 60.0° |
| H59 | C33 | C34 | H61 | 168.9° | 180.0° |
| C35 | C34 | H60 | H61 | 118.7° | 119.9° |
| C34 | C35 | C36 | H62 | 120.4° | 120.0° |
| C34 | C35 | C36 | H63 | 120.4° | 119.9° |
| C34 | C35 | H62 | H63 | 118.7° | 119.9° |
| C34 | C35 | C36 | H64 | 180.0° | 60.0° |
| C34 | C35 | C36 | H65 | 60.0° | 60.0° |
| C34 | C35 | C36 | H66 | 60.0° | 180.0° |
| H60 | C34 | C35 | C36 | 56.9° | 60.0° |
| H60 | C34 | C35 | H62 | 63.5° | 180.0° |
| H60 | C34 | C35 | H63 | 177.3° | 60.0° |
| H61 | C34 | C35 | C36 | 176.1° | 60.0° |
| H61 | C34 | C35 | H62 | 55.6° | 60.1° |
| H61 | C34 | C35 | H63 | 63.5° | 180.0° |
| C36 | C35 | H62 | H63 | 118.7° | 120.1° |
| C35 | C36 | H64 | H65 | 120.0° | 120.0° |
| C35 | C36 | H64 | H66 | 120.0° | 120.0° |
| C35 | C36 | H65 | H66 | 120.0° | 120.0° |
| H62 | C35 | C36 | H64 | 59.6° | 179.9° |
| H62 | C35 | C36 | H65 | 179.6° | 60.0° |
| H62 | C35 | C36 | H66 | 60.4° | 60.1° |
| H63 | C35 | C36 | H64 | 59.6° | 60.0° |
| H63 | C35 | C36 | H65 | 60.4° | 179.9° |
| H63 | C35 | C36 | H66 | 179.5° | 60.0° |
| H64 | C36 | H65 | H66 | 120.0° | 120.0° |
| C37 | N7 | H67 | C32 | 180.0° | 179.9° |
| N7 | C37 | C38 | C39 | 122.1° | 120.0° |
| N7 | C37 | C38 | H68 | 119.0° | 119.9° |
| N7 | C37 | C39 | H68 | 119.1° | 120.0° |
| N7 | C37 | C38 | O7 | 15.4° | 0.0° |
| N7 | C37 | C39 | C40 | 61.4° | 65.1° |
| N7 | C37 | C39 | H69 | 59.3° | 54.9° |
| N7 | C37 | C39 | H70 | 178.0° | 175.0° |
| N7 | C37 | C38 | N8 | 164.9° | 180.0° |
| H67 | N7 | C37 | C38 | 59.7° | 25.1° |
| H67 | N7 | C37 | C39 | 63.6° | 94.9° |
| H67 | N7 | C37 | H68 | 178.1° | 145.0° |
| C38 | C37 | C39 | H68 | 119.0° | 120.0° |
| C37 | C38 | O7 | N8 | 179.7° | 180.0° |
| C38 | C37 | C39 | C40 | 176.7° | 175.0° |
| C38 | C37 | C39 | H69 | 62.7° | 65.0° |
| C38 | C37 | C39 | H70 | 56.1° | 55.1° |
| C37 | C38 | N8 | C43 | 178.5° | 180.0° |
| C37 | C38 | N8 | H78 | 1.5° | 0.0° |
| C38 | C37 | N7 | C32 | 120.2° | 155.1° |
| C39 | C37 | C38 | O7 | 106.6° | 120.0° |
| C37 | C39 | C40 | H69 | 120.6° | 120.0° |
| C37 | C39 | C40 | H70 | 120.6° | 119.9° |
| C37 | C39 | H69 | H70 | 118.0° | 120.1° |
| C37 | C39 | C40 | C41 | 66.2° | 180.0° |
| C37 | C39 | C40 | H71 | 54.4° | 60.0° |
| C37 | C39 | C40 | H72 | 173.3° | 60.0° |
| C39 | C37 | N7 | C32 | 116.5° | 85.0° |
| C39 | C37 | C38 | N8 | 73.1° | 60.0° |
| H68 | C37 | C38 | O7 | 134.4° | 119.9° |
| H68 | C37 | C39 | C40 | 57.7° | 55.0° |
| H68 | C37 | C39 | H69 | 178.3° | 175.0° |
| H68 | C37 | C39 | H70 | 62.9° | 64.9° |
| H68 | C37 | N7 | C32 | 1.9° | 35.1° |
| H68 | C37 | C38 | N8 | 45.9° | 60.0° |
| O7 | C38 | N8 | C43 | 1.2° | 0.0° |
| O7 | C38 | N8 | H78 | 178.8° | 180.0° |
| C40 | C39 | H69 | H70 | 118.0° | 120.0° |
| C39 | C40 | C41 | H71 | 120.5° | 120.1° |
| C39 | C40 | C41 | H72 | 120.6° | 120.0° |
| C39 | C40 | H71 | H72 | 118.4° | 120.0° |
| C39 | C40 | C41 | C42 | 173.5° | 180.0° |
| C39 | C40 | C41 | H73 | 53.4° | 59.9° |
| C39 | C40 | C41 | H74 | 66.3° | 60.0° |
| H69 | C39 | C40 | C41 | 173.2° | 60.0° |
| H69 | C39 | C40 | H71 | 66.3° | 180.0° |
| H69 | C39 | C40 | H72 | 52.6° | 60.0° |
| H70 | C39 | C40 | C41 | 54.5° | 60.0° |
| H70 | C39 | C40 | H71 | 175.0° | 60.0° |
| H70 | C39 | C40 | H72 | 66.1° | 180.0° |
| C41 | C40 | H71 | H72 | 118.3° | 120.0° |
| C40 | C41 | C42 | H73 | 120.1° | 120.0° |
| C40 | C41 | C42 | H74 | 120.1° | 120.0° |
| C40 | C41 | H73 | H74 | 119.6° | 120.0° |
| C40 | C41 | C42 | H75 | 180.0° | 180.0° |
| C40 | C41 | C42 | H76 | 60.0° | 60.0° |
| C40 | C41 | C42 | H77 | 60.0° | 60.0° |
| H71 | C40 | C41 | C42 | 65.9° | 60.0° |
| H71 | C40 | C41 | H73 | 174.0° | 180.0° |
| H71 | C40 | C41 | H74 | 54.2° | 60.0° |
| H72 | C40 | C41 | C42 | 53.0° | 60.0° |
| H72 | C40 | C41 | H73 | 67.1° | 60.0° |
| H72 | C40 | C41 | H74 | 173.1° | 180.0° |
| C42 | C41 | H73 | H74 | 119.6° | 120.0° |
| C41 | C42 | H75 | H76 | 120.0° | 120.0° |
| C41 | C42 | H75 | H77 | 120.0° | 120.0° |
| C41 | C42 | H76 | H77 | 120.0° | 120.0° |
| H73 | C41 | C42 | H75 | 59.9° | 60.0° |
| H73 | C41 | C42 | H76 | 179.9° | 180.0° |
| H73 | C41 | C42 | H77 | 60.1° | 60.0° |
| H74 | C41 | C42 | H75 | 59.9° | 60.0° |
| H74 | C41 | C42 | H76 | 60.1° | 60.0° |
| H74 | C41 | C42 | H77 | 179.9° | NaN° |
| H75 | C42 | H76 | H77 | 120.0° | 120.0° |
| C43 | N8 | H78 | C38 | 180.0° | 180.0° |
| N8 | C43 | C44 | C45 | 121.2° | 120.0° |
| N8 | C43 | C44 | H79 | 119.4° | 119.9° |
| N8 | C43 | C45 | H79 | 119.4° | 120.0° |
| N8 | C43 | C44 | O8 | 42.9° | 0.0° |
| N8 | C43 | C45 | C46 | 177.8° | 65.0° |
| N8 | C43 | C45 | H80 | 61.5° | 175.0° |
| N8 | C43 | C45 | H81 | 57.1° | 55.0° |
| N8 | C43 | C44 | N9 | 138.2° | 180.0° |
| H78 | N8 | C43 | C44 | 63.2° | 25.1° |
| H78 | N8 | C43 | C45 | 59.2° | 95.0° |
| H78 | N8 | C43 | H79 | 178.0° | 145.0° |
| C44 | C43 | C45 | H79 | 119.5° | 120.0° |
| C43 | C44 | O8 | N9 | 178.8° | 180.0° |
| C44 | C43 | C45 | C46 | 61.1° | 175.0° |
| C44 | C43 | C45 | H80 | 59.6° | 55.0° |
| C44 | C43 | C45 | H81 | 178.2° | 65.0° |
| C43 | C44 | N9 | C49 | 172.5° | 180.0° |
| C43 | C44 | N9 | H89 | 7.5° | 0.1° |
| C44 | C43 | N8 | C38 | 116.8° | 155.0° |
| C45 | C43 | C44 | O8 | 78.2° | 120.0° |
| C43 | C45 | C46 | H80 | 120.7° | 120.1° |
| C43 | C45 | C46 | H81 | 120.7° | 120.0° |
| C43 | C45 | H80 | H81 | 117.7° | 120.0° |
| C43 | C45 | C46 | C47 | 61.6° | 180.0° |
| C43 | C45 | C46 | H82 | 58.9° | 60.0° |
| C43 | C45 | C46 | H83 | 177.9° | 60.0° |
| C45 | C43 | N8 | C38 | 120.8° | 85.0° |
| C45 | C43 | C44 | N9 | 100.6° | 60.0° |
| H79 | C43 | C44 | O8 | 162.3° | 120.0° |
| H79 | C43 | C45 | C46 | 58.4° | 55.0° |
| H79 | C43 | C45 | H80 | 179.1° | 65.0° |
| H79 | C43 | C45 | H81 | 62.3° | 175.0° |
| H79 | C43 | N8 | C38 | 2.1° | 35.0° |
| H79 | C43 | C44 | N9 | 18.8° | 60.1° |
| O8 | C44 | N9 | C49 | 6.3° | 0.0° |
| O8 | C44 | N9 | H89 | 173.7° | 180.0° |
| C46 | C45 | H80 | H81 | 117.7° | 119.9° |
| C45 | C46 | C47 | H82 | 120.5° | 120.0° |
| C45 | C46 | C47 | H83 | 120.5° | 120.1° |
| C45 | C46 | H82 | H83 | 118.5° | 120.0° |
| C45 | C46 | C47 | C48 | 172.7° | 180.0° |
| C45 | C46 | C47 | H84 | 52.5° | 60.0° |
| C45 | C46 | C47 | H85 | 67.1° | 60.0° |
| H80 | C45 | C46 | C47 | 177.6° | 60.0° |
| H80 | C45 | C46 | H82 | 61.9° | 179.9° |
| H80 | C45 | C46 | H83 | 57.2° | 60.1° |
| H81 | C45 | C46 | C47 | 59.1° | 60.0° |
| H81 | C45 | C46 | H82 | 179.6° | 60.0° |
| H81 | C45 | C46 | H83 | 61.4° | 180.0° |
| C47 | C46 | H82 | H83 | 118.5° | 120.0° |
| C46 | C47 | C48 | H84 | 120.2° | 120.0° |
| C46 | C47 | C48 | H85 | 120.2° | 120.0° |
| C46 | C47 | H84 | H85 | 119.5° | 120.0° |
| C46 | C47 | C48 | H86 | 180.0° | 60.0° |
| C46 | C47 | C48 | H87 | 60.0° | 60.0° |
| C46 | C47 | C48 | H88 | 60.0° | 179.9° |
| H82 | C46 | C47 | C48 | 66.8° | 60.0° |
| H82 | C46 | C47 | H84 | 173.0° | 180.0° |
| H82 | C46 | C47 | H85 | 53.4° | 60.0° |
| H83 | C46 | C47 | C48 | 52.2° | 60.0° |
| H83 | C46 | C47 | H84 | 68.0° | 60.0° |
| H83 | C46 | C47 | H85 | 172.4° | 179.9° |
| C48 | C47 | H84 | H85 | 119.5° | 120.0° |
| C47 | C48 | H86 | H87 | 120.0° | 120.0° |
| C47 | C48 | H86 | H88 | 120.0° | 120.1° |
| C47 | C48 | H87 | H88 | 120.0° | 119.9° |
| H84 | C47 | C48 | H86 | 59.8° | 179.9° |
| H84 | C47 | C48 | H87 | 179.8° | 60.0° |
| H84 | C47 | C48 | H88 | 60.1° | 60.0° |
| H85 | C47 | C48 | H86 | 59.8° | 60.0° |
| H85 | C47 | C48 | H87 | 60.2° | 180.0° |
| H85 | C47 | C48 | H88 | 179.8° | 60.1° |
| H86 | C48 | H87 | H88 | 119.9° | 120.0° |
| C49 | N9 | H89 | C44 | 180.0° | 180.0° |
| N9 | C49 | C50 | C51 | 120.8° | 120.0° |
| N9 | C49 | C50 | H90 | 119.4° | 120.0° |
| N9 | C49 | C51 | H90 | 119.4° | 120.0° |
| N9 | C49 | C50 | O9 | 52.5° | 0.0° |
| N9 | C49 | C51 | C52 | 173.0° | 65.0° |
| N9 | C49 | C51 | H91 | 52.7° | 55.0° |
| N9 | C49 | C51 | H92 | 66.6° | 175.0° |
| N9 | C49 | C50 | N10 | 128.2° | 180.0° |
| H89 | N9 | C49 | C50 | 100.6° | 25.0° |
| H89 | N9 | C49 | C51 | 21.9° | 95.1° |
| H89 | N9 | C49 | H90 | 140.6° | 145.0° |
| C50 | C49 | C51 | H90 | 119.8° | 120.0° |
| C49 | C50 | O9 | N10 | 179.3° | 180.0° |
| C50 | C49 | C51 | C52 | 66.1° | 175.0° |
| C50 | C49 | C51 | H91 | 173.5° | 65.0° |
| C50 | C49 | C51 | H92 | 54.2° | 55.0° |
| C49 | C50 | N10 | C55 | 176.6° | 180.0° |
| C49 | C50 | N10 | H100 | 3.5° | 0.1° |
| C50 | C49 | N9 | C44 | 79.4° | 155.0° |
| C51 | C49 | C50 | O9 | 68.3° | 120.0° |
| C49 | C51 | C52 | H91 | 120.3° | 120.0° |
| C49 | C51 | C52 | H92 | 120.3° | 120.0° |
| C49 | C51 | H91 | H92 | 119.0° | 120.0° |
| C49 | C51 | C52 | C53 | 175.8° | 180.0° |
| C49 | C51 | C52 | H93 | 55.4° | 60.0° |
| C49 | C51 | C52 | H94 | 63.8° | 60.0° |
| C51 | C49 | N9 | C44 | 158.1° | 85.0° |
| C51 | C49 | C50 | N10 | 111.0° | 60.0° |
| H90 | C49 | C50 | O9 | 171.9° | 120.0° |
| H90 | C49 | C51 | C52 | 53.6° | 55.0° |
| H90 | C49 | C51 | H91 | 66.7° | 175.0° |
| H90 | C49 | C51 | H92 | 174.0° | 65.0° |
| H90 | C49 | N9 | C44 | 39.4° | 35.0° |
| H90 | C49 | C50 | N10 | 8.8° | 60.0° |
| O9 | C50 | N10 | C55 | 2.7° | 0.1° |
| O9 | C50 | N10 | H100 | 177.2° | 180.0° |
| C52 | C51 | H91 | H92 | 119.0° | 120.0° |
| C51 | C52 | C53 | H93 | 120.4° | 120.0° |
| C51 | C52 | C53 | H94 | 120.4° | 120.0° |
| C51 | C52 | H93 | H94 | 118.8° | 120.0° |
| C51 | C52 | C53 | C54 | 67.2° | 180.0° |
| C51 | C52 | C53 | H95 | 53.3° | 60.0° |
| C51 | C52 | C53 | H96 | 172.3° | 60.0° |
| H91 | C51 | C52 | C53 | 63.9° | 60.0° |
| H91 | C51 | C52 | H93 | 175.7° | 180.0° |
| H91 | C51 | C52 | H94 | 56.5° | 60.0° |
| H92 | C51 | C52 | C53 | 55.5° | 60.0° |
| H92 | C51 | C52 | H93 | 65.0° | 60.0° |
| H92 | C51 | C52 | H94 | 175.9° | 180.0° |
| C53 | C52 | H93 | H94 | 118.7° | 120.0° |
| C52 | C53 | C54 | H95 | 120.5° | 120.0° |
| C52 | C53 | C54 | H96 | 120.5° | 120.0° |
| C52 | C53 | H95 | H96 | 118.5° | 120.0° |
| C52 | C53 | C54 | H97 | 180.0° | 60.0° |
| C52 | C53 | C54 | H98 | 60.0° | 60.0° |
| C52 | C53 | C54 | H99 | 60.0° | 180.0° |
| H93 | C52 | C53 | C54 | 172.4° | 60.0° |
| H93 | C52 | C53 | H95 | 67.1° | 180.0° |
| H93 | C52 | C53 | H96 | 51.9° | 60.0° |
| H94 | C52 | C53 | C54 | 53.2° | 60.0° |
| H94 | C52 | C53 | H95 | 173.7° | 60.0° |
| H94 | C52 | C53 | H96 | 67.3° | 180.0° |
| C54 | C53 | H95 | H96 | 118.5° | 120.0° |
| C53 | C54 | H97 | H98 | 120.0° | 120.0° |
| C53 | C54 | H97 | H99 | 120.0° | 120.1° |
| C53 | C54 | H98 | H99 | 120.0° | 120.0° |
| H95 | C53 | C54 | H97 | 59.5° | 180.0° |
| H95 | C53 | C54 | H98 | 179.5° | 60.0° |
| H95 | C53 | C54 | H99 | 60.5° | 60.0° |
| H96 | C53 | C54 | H97 | 59.5° | 60.0° |
| H96 | C53 | C54 | H98 | 60.5° | 180.0° |
| H96 | C53 | C54 | H99 | 179.5° | 60.0° |
| H97 | C54 | H98 | H99 | 120.0° | 120.0° |
| C55 | N10 | H100 | C50 | 180.0° | 179.9° |
| N10 | C55 | C56 | C57 | 121.6° | 119.9° |
| N10 | C55 | C56 | H101 | 118.5° | 120.1° |
| N10 | C55 | C57 | H101 | 120.0° | 120.0° |
| N10 | C55 | C56 | O10 | 94.8° | 0.1° |
| N10 | C55 | C57 | C58 | 174.6° | 65.1° |
| N10 | C55 | C57 | H102 | 65.1° | 175.0° |
| N10 | C55 | C57 | H103 | 54.3° | 55.0° |
| N10 | C55 | C56 | N11 | 84.7° | 180.0° |
| H100 | N10 | C55 | C56 | 11.5° | 24.9° |
| H100 | N10 | C55 | C57 | 111.3° | 95.0° |
| H100 | N10 | C55 | H101 | 129.4° | 145.0° |
| C56 | C55 | C57 | H101 | 119.9° | 120.0° |
| C55 | C56 | O10 | N11 | 179.4° | 179.9° |
| C56 | C55 | C57 | C58 | 65.3° | 175.0° |
| C56 | C55 | C57 | H102 | 55.0° | 55.1° |
| C56 | C55 | C57 | H103 | 174.4° | 64.9° |
| C55 | C56 | N11 | C61 | 175.5° | 180.0° |
| C55 | C56 | N11 | H111 | 4.5° | 0.1° |
| C56 | C55 | N10 | C50 | 168.4° | 155.0° |
| C57 | C55 | C56 | O10 | 26.9° | 120.0° |
| C55 | C57 | C58 | H102 | 120.3° | 119.9° |
| C55 | C57 | C58 | H103 | 120.3° | 120.0° |
| C55 | C57 | H102 | H103 | 119.1° | 120.0° |
| C55 | C57 | C58 | C59 | 177.1° | 180.0° |
| C55 | C57 | C58 | H104 | 57.0° | 60.1° |
| C55 | C57 | C58 | H105 | 62.8° | 60.0° |
| C57 | C55 | N10 | C50 | 68.7° | 85.1° |
| C57 | C55 | C56 | N11 | 153.7° | 60.1° |
| H101 | C55 | C56 | O10 | 146.8° | 120.0° |
| H101 | C55 | C57 | C58 | 54.7° | 55.0° |
| H101 | C55 | C57 | H102 | 174.9° | 64.9° |
| H101 | C55 | C57 | H103 | 65.7° | 175.0° |
| H101 | C55 | N10 | C50 | 50.6° | 34.9° |
| H101 | C55 | C56 | N11 | 33.8° | 60.0° |
| O10 | C56 | N11 | C61 | 5.1° | 0.0° |
| O10 | C56 | N11 | H111 | 174.9° | 180.0° |
| C58 | C57 | H102 | H103 | 119.1° | 120.1° |
| C57 | C58 | C59 | H104 | 120.1° | 120.0° |
| C57 | C58 | C59 | H105 | 120.1° | 120.0° |
| C57 | C58 | H104 | H105 | 119.6° | 120.1° |
| C57 | C58 | C59 | C60 | 179.8° | 180.0° |
| C57 | C58 | C59 | H106 | 60.0° | 60.0° |
| C57 | C58 | C59 | H107 | 59.7° | 60.0° |
| H102 | C57 | C58 | C59 | 62.6° | 60.0° |
| H102 | C57 | C58 | H104 | 177.3° | 180.0° |
| H102 | C57 | C58 | H105 | 57.5° | 59.9° |
| H103 | C57 | C58 | C59 | 56.8° | 60.0° |
| H103 | C57 | C58 | H104 | 63.3° | 59.9° |
| H103 | C57 | C58 | H105 | 176.9° | 180.0° |
| C59 | C58 | H104 | H105 | 119.6° | 120.0° |
| C58 | C59 | C60 | H106 | 120.2° | 120.0° |
| C58 | C59 | C60 | H107 | 120.1° | 120.0° |
| C58 | C59 | H106 | H107 | 119.6° | 120.0° |
| C58 | C59 | C60 | H108 | 180.0° | 180.0° |
| C58 | C59 | C60 | H109 | 60.0° | 60.0° |
| C58 | C59 | C60 | H110 | 60.0° | 60.0° |
| H104 | C58 | C59 | C60 | 59.7° | 60.0° |
| H104 | C58 | C59 | H106 | 179.9° | 180.0° |
| H104 | C58 | C59 | H107 | 60.4° | 60.0° |
| H105 | C58 | C59 | C60 | 60.1° | 60.0° |
| H105 | C58 | C59 | H106 | 60.1° | 60.0° |
| H105 | C58 | C59 | H107 | 179.8° | 180.0° |
| C60 | C59 | H106 | H107 | 119.6° | 120.0° |
| C59 | C60 | H108 | H109 | 120.0° | 120.0° |
| C59 | C60 | H108 | H110 | 120.0° | 120.0° |
| C59 | C60 | H109 | H110 | 120.0° | 120.0° |
| H106 | C59 | C60 | H108 | 59.8° | 60.0° |
| H106 | C59 | C60 | H109 | 179.8° | NaN° |
| H106 | C59 | C60 | H110 | 60.2° | 60.0° |
| H107 | C59 | C60 | H108 | 59.9° | 60.0° |
| H107 | C59 | C60 | H109 | 60.1° | 60.0° |
| H107 | C59 | C60 | H110 | 179.9° | 180.0° |
| H108 | C60 | H109 | H110 | 120.0° | 120.0° |
| C61 | N11 | H111 | C56 | 180.0° | 180.0° |
| N11 | C61 | C62 | C63 | 119.1° | 120.0° |
| N11 | C61 | C62 | H112 | 120.5° | 120.0° |
| N11 | C61 | C63 | H112 | 119.8° | 120.0° |
| N11 | C61 | C62 | O11 | 30.8° | 0.0° |
| N11 | C61 | C63 | C64 | 67.2° | 65.0° |
| N11 | C61 | C63 | H113 | 53.1° | 55.0° |
| N11 | C61 | C63 | H114 | 172.6° | 175.0° |
| N11 | C61 | C62 | N12 | 149.8° | 180.0° |
| H111 | N11 | C61 | C62 | 55.7° | 25.0° |
| H111 | N11 | C61 | C63 | 65.4° | 95.0° |
| H111 | N11 | C61 | H112 | 175.5° | 145.0° |
| C62 | C61 | C63 | H112 | 120.4° | 120.0° |
| C61 | C62 | O11 | N12 | 179.4° | 180.0° |
| C62 | C61 | C63 | C64 | 173.0° | 175.0° |
| C62 | C61 | C63 | H113 | 66.7° | 65.0° |
| C62 | C61 | C63 | H114 | 52.8° | 55.0° |
| C61 | C62 | N12 | C67 | 6.3° | 0.0° |
| C61 | C62 | N12 | C68 | 177.0° | 180.0° |
| C62 | C61 | N11 | C56 | 124.3° | 155.0° |
| C63 | C61 | C62 | O11 | 88.2° | 120.0° |
| C61 | C63 | C64 | H113 | 120.3° | 120.0° |
| C61 | C63 | C64 | H114 | 120.2° | 120.0° |
| C61 | C63 | H113 | H114 | 119.3° | 120.0° |
| C61 | C63 | C64 | C65 | 177.3° | 180.0° |
| C61 | C63 | C64 | H115 | 57.1° | 60.0° |
| C61 | C63 | C64 | H116 | 62.6° | 60.0° |
| C63 | C61 | C62 | N12 | 91.2° | 60.0° |
| C63 | C61 | N11 | C56 | 114.6° | 85.0° |
| H112 | C61 | C62 | O11 | 151.3° | 120.0° |
| H112 | C61 | C63 | C64 | 52.6° | 55.0° |
| H112 | C61 | C63 | H113 | 172.9° | 175.0° |
| H112 | C61 | C63 | H114 | 67.6° | 65.0° |
| H112 | C61 | C62 | N12 | 29.3° | 60.0° |
| H112 | C61 | N11 | C56 | 4.4° | 35.0° |
| O11 | C62 | N12 | C67 | 173.1° | 180.0° |
| O11 | C62 | N12 | C68 | 3.6° | 0.0° |
| C64 | C63 | H113 | H114 | 119.3° | 120.0° |
| C63 | C64 | C65 | H115 | 120.1° | 120.0° |
| C63 | C64 | C65 | H116 | 120.1° | 120.0° |
| C63 | C64 | H115 | H116 | 119.6° | 120.0° |
| C63 | C64 | C65 | C66 | 180.0° | 180.0° |
| C63 | C64 | C65 | H117 | 59.9° | 60.0° |
| C63 | C64 | C65 | H118 | 59.9° | 60.0° |
| H113 | C63 | C64 | C65 | 62.5° | 60.0° |
| H113 | C63 | C64 | H115 | 177.4° | 180.0° |
| H113 | C63 | C64 | H116 | 57.7° | 60.0° |
| H114 | C63 | C64 | C65 | 57.0° | 60.0° |
| H114 | C63 | C64 | H115 | 63.1° | 60.0° |
| H114 | C63 | C64 | H116 | 177.2° | 180.0° |
| C65 | C64 | H115 | H116 | 119.6° | 120.0° |
| C64 | C65 | C66 | H117 | 120.1° | 120.0° |
| C64 | C65 | C66 | H118 | 120.1° | 120.0° |
| C64 | C65 | H117 | H118 | 119.6° | 120.0° |
| C64 | C65 | C66 | H119 | 180.0° | 180.0° |
| C64 | C65 | C66 | H120 | 60.0° | 60.0° |
| C64 | C65 | C66 | H121 | 60.0° | 60.0° |
| H115 | C64 | C65 | C66 | 59.9° | 60.0° |
| H115 | C64 | C65 | H117 | NaN° | 180.0° |
| H115 | C64 | C65 | H118 | 60.2° | 60.0° |
| H116 | C64 | C65 | C66 | 59.8° | 60.0° |
| H116 | C64 | C65 | H117 | 60.3° | 60.0° |
| H116 | C64 | C65 | H118 | 179.9° | 180.0° |
| C66 | C65 | H117 | H118 | 119.6° | 120.0° |
| C65 | C66 | H119 | H120 | 120.0° | 120.0° |
| C65 | C66 | H119 | H121 | 120.0° | 120.0° |
| C65 | C66 | H120 | H121 | 120.0° | 120.0° |
| H117 | C65 | C66 | H119 | 59.9° | 60.0° |
| H117 | C65 | C66 | H120 | 179.9° | 180.0° |
| H117 | C65 | C66 | H121 | 60.1° | 60.0° |
| H118 | C65 | C66 | H119 | 59.9° | 60.0° |
| H118 | C65 | C66 | H120 | 60.1° | 59.9° |
| H118 | C65 | C66 | H121 | 179.9° | 180.0° |
| H119 | C66 | H120 | H121 | 120.0° | 120.0° |
| N12 | C67 | H122 | H123 | 120.0° | 120.0° |
| N12 | C67 | H122 | H124 | 120.0° | 120.0° |
| N12 | C67 | H123 | H124 | 120.0° | 120.0° |
| C67 | N12 | C68 | C62 | 176.9° | 180.0° |
| C67 | N12 | C68 | C69 | 54.6° | 60.0° |
| C67 | N12 | C68 | C70 | 71.4° | 60.0° |
| C67 | N12 | C68 | H125 | 172.4° | 180.0° |
| H122 | C67 | H123 | H124 | 120.0° | 119.9° |
| H122 | C67 | N12 | C68 | 180.0° | 90.0° |
| H122 | C67 | N12 | C62 | 3.2° | 90.0° |
| H123 | C67 | N12 | C68 | 60.0° | 30.0° |
| H123 | C67 | N12 | C62 | 116.8° | 150.0° |
| H124 | C67 | N12 | C68 | 60.0° | 150.0° |
| H124 | C67 | N12 | C62 | 123.2° | 30.0° |
| N12 | C68 | C69 | C70 | 126.0° | 120.0° |
| N12 | C68 | C69 | H125 | 118.2° | 120.0° |
| N12 | C68 | C70 | H125 | 116.7° | 120.0° |
| N12 | C68 | C69 | O12 | 40.7° | 0.0° |
| N12 | C68 | C70 | C71 | 55.0° | 65.0° |
| N12 | C68 | C70 | H126 | 175.4° | 175.0° |
| N12 | C68 | C70 | H127 | 65.3° | 55.0° |
| N12 | C68 | C69 | N13 | 140.1° | 180.0° |
| C69 | C68 | C70 | H125 | 115.8° | 120.0° |
| C68 | C69 | O12 | N13 | 179.2° | 180.0° |
| C69 | C68 | C70 | C71 | 177.4° | 175.0° |
| C69 | C68 | C70 | H126 | 57.1° | 55.0° |
| C69 | C68 | C70 | H127 | 62.3° | 65.0° |
| C68 | C69 | N13 | C74 | 176.3° | 180.0° |
| C68 | C69 | N13 | H135 | 3.7° | 0.0° |
| C69 | C68 | N12 | C62 | 128.5° | 120.0° |
| C70 | C68 | C69 | O12 | 85.3° | 120.0° |
| C68 | C70 | C71 | H126 | 120.3° | 120.0° |
| C68 | C70 | C71 | H127 | 120.3° | 120.0° |
| C68 | C70 | H126 | H127 | 118.9° | 120.0° |
| C68 | C70 | C71 | C72 | 170.0° | 180.0° |
| C68 | C70 | C71 | H128 | 69.5° | 60.0° |
| C68 | C70 | C71 | H129 | 49.6° | 60.0° |
| C70 | C68 | N12 | C62 | 105.5° | 120.0° |
| C70 | C68 | C69 | N13 | 93.9° | 60.0° |
| H125 | C68 | C69 | O12 | 158.9° | 120.0° |
| H125 | C68 | C70 | C71 | 61.6° | 55.0° |
| H125 | C68 | C70 | H126 | 58.7° | 65.0° |
| H125 | C68 | C70 | H127 | 178.0° | 175.0° |
| H125 | C68 | N12 | C62 | 10.7° | 0.0° |
| H125 | C68 | C69 | N13 | 21.9° | 60.0° |
| O12 | C69 | N13 | C74 | 2.9° | 0.0° |
| O12 | C69 | N13 | H135 | 177.1° | 180.0° |
| C71 | C70 | H126 | H127 | 119.0° | 120.0° |
| C70 | C71 | C72 | H128 | 120.4° | 120.0° |
| C70 | C71 | C72 | H129 | 120.4° | 120.0° |
| C70 | C71 | H128 | H129 | 118.7° | 120.0° |
| C70 | C71 | C72 | C73 | 64.1° | 180.0° |
| C70 | C71 | C72 | H130 | 175.5° | 60.0° |
| C70 | C71 | C72 | H131 | 56.3° | 60.0° |
| H126 | C70 | C71 | C72 | 49.7° | 60.0° |
| H126 | C70 | C71 | H128 | 170.1° | 180.0° |
| H126 | C70 | C71 | H129 | 70.7° | 60.0° |
| H127 | C70 | C71 | C72 | 69.6° | 60.0° |
| H127 | C70 | C71 | H128 | 50.8° | 60.0° |
| H127 | C70 | C71 | H129 | 170.0° | 180.0° |
| C72 | C71 | H128 | H129 | 118.7° | 119.9° |
| C71 | C72 | C73 | H130 | 120.4° | 120.0° |
| C71 | C72 | C73 | H131 | 120.4° | 120.1° |
| C71 | C72 | H130 | H131 | 118.7° | 120.0° |
| C71 | C72 | C73 | H132 | 180.0° | 60.0° |
| C71 | C72 | C73 | H133 | 60.0° | 59.9° |
| C71 | C72 | C73 | H134 | 60.0° | 180.0° |
| H128 | C71 | C72 | C73 | 56.3° | 60.0° |
| H128 | C71 | C72 | H130 | 64.1° | 180.0° |
| H128 | C71 | C72 | H131 | 176.8° | 60.0° |
| H129 | C71 | C72 | C73 | 175.5° | 60.0° |
| H129 | C71 | C72 | H130 | 55.1° | 60.0° |
| H129 | C71 | C72 | H131 | 64.1° | 180.0° |
| C73 | C72 | H130 | H131 | 118.7° | 120.0° |
| C72 | C73 | H132 | H133 | 120.0° | 120.0° |
| C72 | C73 | H132 | H134 | 120.0° | 120.0° |
| C72 | C73 | H133 | H134 | 120.0° | 120.1° |
| H130 | C72 | C73 | H132 | 59.6° | 180.0° |
| H130 | C72 | C73 | H133 | 179.6° | 60.1° |
| H130 | C72 | C73 | H134 | 60.4° | 60.0° |
| H131 | C72 | C73 | H132 | 59.6° | 60.1° |
| H131 | C72 | C73 | H133 | 60.5° | 180.0° |
| H131 | C72 | C73 | H134 | 179.6° | 59.9° |
| H132 | C73 | H133 | H134 | 120.0° | 120.0° |
| C74 | N13 | H135 | C69 | 180.0° | 180.0° |
| N13 | C74 | C75 | C76 | 121.3° | 120.0° |
| N13 | C74 | C75 | H136 | 119.5° | 120.0° |
| N13 | C74 | C76 | H136 | 119.8° | 120.0° |
| N13 | C74 | C75 | O13 | 69.0° | 0.0° |
| N13 | C74 | C76 | C77 | 63.9° | 65.0° |
| N13 | C74 | C76 | H137 | 56.5° | 55.0° |
| N13 | C74 | C76 | H138 | 175.7° | 175.0° |
| N13 | C74 | C75 | N14 | 109.7° | 180.0° |
| H135 | N13 | C74 | C75 | 124.8° | 25.0° |
| H135 | N13 | C74 | C76 | 3.0° | 95.0° |
| H135 | N13 | C74 | H136 | 116.2° | 145.0° |
| C75 | C74 | C76 | H136 | 119.3° | 120.0° |
| C74 | C75 | O13 | N14 | 178.6° | 180.0° |
| C75 | C74 | C76 | C77 | 175.2° | 175.0° |
| C75 | C74 | C76 | H137 | 64.4° | 65.0° |
| C75 | C74 | C76 | H138 | 54.8° | 55.0° |
| C74 | C75 | N14 | C80 | 173.3° | 180.0° |
| C74 | C75 | N14 | H146 | 6.7° | 0.0° |
| C75 | C74 | N13 | C69 | 55.1° | 155.0° |
| C76 | C74 | C75 | O13 | 52.3° | 120.0° |
| C74 | C76 | C77 | H137 | 120.4° | 120.0° |
| C74 | C76 | C77 | H138 | 120.4° | 120.0° |
| C74 | C76 | H137 | H138 | 118.8° | 120.0° |
| C74 | C76 | C77 | C78 | 172.9° | 179.9° |
| C74 | C76 | C77 | H139 | 66.8° | 60.0° |
| C74 | C76 | C77 | H140 | 52.5° | 60.0° |
| C76 | C74 | N13 | C69 | 177.0° | 85.0° |
| C76 | C74 | C75 | N14 | 129.0° | 60.0° |
| H136 | C74 | C75 | O13 | 171.6° | 120.0° |
| H136 | C74 | C76 | C77 | 55.9° | 55.1° |
| H136 | C74 | C76 | H137 | 176.3° | 175.0° |
| H136 | C74 | C76 | H138 | 64.5° | 65.0° |
| H136 | C74 | N13 | C69 | 63.8° | 35.0° |
| H136 | C74 | C75 | N14 | 9.8° | 60.0° |
| O13 | C75 | N14 | C80 | 5.3° | 0.0° |
| O13 | C75 | N14 | H146 | 174.7° | 180.0° |
| C77 | C76 | H137 | H138 | 118.8° | 120.0° |
| C76 | C77 | C78 | H139 | 120.4° | 120.1° |
| C76 | C77 | C78 | H140 | 120.4° | 120.0° |
| C76 | C77 | H139 | H140 | 118.8° | 120.0° |
| C76 | C77 | C78 | C79 | 63.0° | 180.0° |
| C76 | C77 | C78 | H141 | 176.5° | 59.9° |
| C76 | C77 | C78 | H142 | 57.5° | 60.0° |
| H137 | C76 | C77 | C78 | 52.5° | 60.0° |
| H137 | C76 | C77 | H139 | 172.8° | 180.0° |
| H137 | C76 | C77 | H140 | 67.9° | 60.0° |
| H138 | C76 | C77 | C78 | 66.7° | 60.0° |
| H138 | C76 | C77 | H139 | 53.6° | 60.1° |
| H138 | C76 | C77 | H140 | 172.9° | 179.9° |
| C78 | C77 | H139 | H140 | 118.8° | 120.0° |
| C77 | C78 | C79 | H141 | 120.5° | 120.1° |
| C77 | C78 | C79 | H142 | 120.5° | 119.9° |
| C77 | C78 | H141 | H142 | 118.5° | 120.0° |
| C77 | C78 | C79 | H143 | 180.0° | 180.0° |
| C77 | C78 | C79 | H144 | 60.0° | 60.0° |
| C77 | C78 | C79 | H145 | 60.0° | 60.1° |
| H139 | C77 | C78 | C79 | 57.4° | 59.9° |
| H139 | C77 | C78 | H141 | 63.2° | 180.0° |
| H139 | C77 | C78 | H142 | 177.8° | 60.0° |
| H140 | C77 | C78 | C79 | 176.6° | 60.1° |
| H140 | C77 | C78 | H141 | 56.1° | 60.0° |
| H140 | C77 | C78 | H142 | 62.9° | 180.0° |
| C79 | C78 | H141 | H142 | 118.5° | 120.0° |
| C78 | C79 | H143 | H144 | 120.0° | 120.0° |
| C78 | C79 | H143 | H145 | 120.0° | 119.9° |
| C78 | C79 | H144 | H145 | 120.0° | 120.0° |
| H141 | C78 | C79 | H143 | 59.5° | 59.9° |
| H141 | C78 | C79 | H144 | 179.5° | 180.0° |
| H141 | C78 | C79 | H145 | 60.5° | 60.0° |
| H142 | C78 | C79 | H143 | 59.5° | 60.1° |
| H142 | C78 | C79 | H144 | 60.5° | 60.0° |
| H142 | C78 | C79 | H145 | 179.5° | 180.0° |
| H143 | C79 | H144 | H145 | 120.0° | 120.0° |
| C80 | N14 | H146 | C75 | 180.0° | 180.0° |
| N14 | C80 | C81 | C82 | 122.1° | 120.0° |
| N14 | C80 | C81 | H147 | 118.5° | 120.0° |
| N14 | C80 | C82 | H147 | 119.6° | 120.0° |
| N14 | C80 | C81 | O14 | 137.0° | 0.1° |
| N14 | C80 | C82 | C83 | 61.2° | 65.0° |
| N14 | C80 | C82 | H148 | 178.4° | 175.0° |
| N14 | C80 | C82 | H149 | 59.1° | 55.0° |
| N14 | C80 | C81 | N15 | 42.3° | 180.0° |
| H146 | N14 | C80 | C81 | 44.1° | 25.0° |
| H146 | N14 | C80 | C82 | 79.1° | 95.0° |
| H146 | N14 | C80 | H147 | 161.9° | 145.0° |
| C81 | C80 | C82 | H147 | 119.4° | 120.0° |
| C80 | C81 | O14 | N15 | 179.3° | 179.9° |
| C81 | C80 | C82 | C83 | 177.8° | 175.0° |
| C81 | C80 | C82 | H148 | 57.4° | 54.9° |
| C81 | C80 | C82 | H149 | 61.9° | 65.0° |
| C80 | C81 | N15 | C86 | 179.5° | 180.0° |
| C80 | C81 | N15 | H157 | 0.5° | 0.0° |
| C81 | C80 | N14 | C75 | 135.9° | 155.0° |
| C82 | C80 | C81 | O14 | 14.9° | 120.1° |
| C80 | C82 | C83 | H148 | 120.4° | 120.0° |
| C80 | C82 | C83 | H149 | 120.3° | 120.0° |
| C80 | C82 | H148 | H149 | 118.9° | 119.9° |
| C80 | C82 | C83 | C84 | 173.9° | 180.0° |
| C80 | C82 | C83 | H150 | 65.9° | 60.1° |
| C80 | C82 | C83 | H151 | 53.8° | 60.0° |
| C82 | C80 | C81 | N15 | 164.5° | 60.0° |
| C82 | C80 | N14 | C75 | 100.9° | 85.0° |
| H147 | C80 | C81 | O14 | 104.5° | 120.0° |
| H147 | C80 | C82 | C83 | 58.4° | 54.9° |
| H147 | C80 | C82 | H148 | 61.9° | 65.1° |
| H147 | C80 | C82 | H149 | 178.8° | 175.0° |
| H147 | C80 | C81 | N15 | 76.1° | 60.0° |
| H147 | C80 | N14 | C75 | 18.1° | 35.0° |
| O14 | C81 | N15 | C86 | 0.1° | 0.1° |
| O14 | C81 | N15 | H157 | 179.9° | 179.9° |
| C83 | C82 | H148 | H149 | 118.9° | 120.0° |
| C82 | C83 | C84 | H150 | 120.1° | 120.0° |
| C82 | C83 | C84 | H151 | 120.1° | 120.0° |
| C82 | C83 | H150 | H151 | 119.6° | 120.0° |
| C82 | C83 | C84 | C85 | 179.8° | 179.9° |
| C82 | C83 | C84 | H152 | 60.1° | 60.0° |
| C82 | C83 | C84 | H153 | 59.6° | 60.1° |
| H148 | C82 | C83 | C84 | 53.6° | 60.0° |
| H148 | C82 | C83 | H150 | 173.7° | 180.0° |
| H148 | C82 | C83 | H151 | 66.6° | 60.0° |
| H149 | C82 | C83 | C84 | 65.7° | 60.0° |
| H149 | C82 | C83 | H150 | 54.5° | 60.0° |
| H149 | C82 | C83 | H151 | 174.2° | 180.0° |
| C84 | C83 | H150 | H151 | 119.6° | 120.0° |
| C83 | C84 | C85 | H152 | 120.2° | 120.0° |
| C83 | C84 | C85 | H153 | 120.2° | 120.0° |
| C83 | C84 | H152 | H153 | 119.6° | 120.1° |
| C83 | C84 | C85 | H154 | 180.0° | 59.9° |
| C83 | C84 | C85 | H155 | 60.0° | 60.0° |
| C83 | C84 | C85 | H156 | 60.0° | 180.0° |
| H150 | C83 | C84 | C85 | 59.6° | 60.0° |
| H150 | C83 | C84 | H152 | 179.8° | 180.0° |
| H150 | C83 | C84 | H153 | 60.5° | 59.9° |
| H151 | C83 | C84 | C85 | 60.1° | 60.0° |
| H151 | C83 | C84 | H152 | 60.1° | 60.0° |
| H151 | C83 | C84 | H153 | 179.7° | 179.9° |
| C85 | C84 | H152 | H153 | 119.5° | 119.9° |
| C84 | C85 | H154 | H155 | 120.0° | 120.0° |
| C84 | C85 | H154 | H156 | 120.0° | 120.1° |
| C84 | C85 | H155 | H156 | 120.0° | 120.0° |
| H152 | C84 | C85 | H154 | 59.8° | 180.0° |
| H152 | C84 | C85 | H155 | 179.9° | 60.0° |
| H152 | C84 | C85 | H156 | 60.2° | 59.9° |
| H153 | C84 | C85 | H154 | 59.8° | 60.0° |
| H153 | C84 | C85 | H155 | 60.2° | 180.0° |
| H153 | C84 | C85 | H156 | 179.9° | 60.1° |
| H154 | C85 | H155 | H156 | 120.0° | 120.0° |
| C86 | N15 | H157 | C81 | 180.0° | 180.0° |
| N15 | C86 | C87 | C88 | 125.4° | 119.9° |
| N15 | C86 | C87 | H158 | 117.9° | 120.0° |
| N15 | C86 | C88 | H158 | 116.2° | 120.0° |
| N15 | C86 | C87 | O15 | 139.5° | 0.0° |
| N15 | C86 | C87 | O16 | 41.4° | 180.0° |
| N15 | C86 | C88 | C89 | 56.7° | 65.0° |
| N15 | C86 | C88 | H160 | 63.6° | 55.0° |
| N15 | C86 | C88 | H161 | 176.9° | 175.0° |
| H157 | N15 | C86 | C87 | 137.9° | 95.0° |
| H157 | N15 | C86 | C88 | 95.1° | 25.0° |
| H157 | N15 | C86 | H158 | 20.5° | 145.0° |
| C87 | C86 | C88 | H158 | 116.7° | 120.0° |
| C86 | C87 | O15 | O16 | 179.0° | 180.0° |
| C86 | C87 | O16 | H159 | 179.0° | 180.0° |
| C87 | C86 | C88 | C89 | 176.2° | 175.0° |
| C87 | C86 | C88 | H160 | 63.6° | 65.0° |
| C87 | C86 | C88 | H161 | 55.9° | 55.0° |
| C87 | C86 | N15 | C81 | 42.1° | 85.0° |
| C88 | C86 | C87 | O15 | 14.1° | 120.0° |
| C88 | C86 | C87 | O16 | 166.9° | 60.0° |
| C86 | C88 | C89 | H160 | 120.3° | 120.0° |
| C86 | C88 | C89 | H161 | 120.3° | 120.0° |
| C86 | C88 | H160 | H161 | 119.1° | 120.0° |
| C86 | C88 | C89 | C90 | 175.1° | 180.0° |
| C86 | C88 | C89 | H162 | 55.0° | 60.0° |
| C86 | C88 | C89 | H163 | 64.7° | 60.0° |
| C88 | C86 | N15 | C81 | 84.9° | 155.0° |
| H158 | C86 | C87 | O15 | 102.6° | 120.0° |
| H158 | C86 | C87 | O16 | 76.5° | 60.0° |
| H158 | C86 | C88 | C89 | 59.5° | 55.0° |
| H158 | C86 | C88 | H160 | 179.8° | 175.0° |
| H158 | C86 | C88 | H161 | 60.7° | 65.0° |
| H158 | C86 | N15 | C81 | 159.5° | 35.0° |
| O15 | C87 | O16 | H159 | 0.0° | 0.0° |
| C89 | C88 | H160 | H161 | 119.1° | 120.0° |
| C88 | C89 | C90 | H162 | 120.2° | 120.0° |
| C88 | C89 | C90 | H163 | 120.1° | 120.0° |
| C88 | C89 | H162 | H163 | 119.5° | 120.0° |
| C88 | C89 | C90 | C91 | 179.9° | 180.0° |
| C88 | C89 | C90 | H164 | 59.8° | 60.0° |
| C88 | C89 | C90 | H165 | 59.9° | 60.0° |
| H160 | C88 | C89 | C90 | 64.6° | 60.0° |
| H160 | C88 | C89 | H162 | 175.3° | 180.0° |
| H160 | C88 | C89 | H163 | 55.6° | 60.0° |
| H161 | C88 | C89 | C90 | 54.9° | 60.0° |
| H161 | C88 | C89 | H162 | 65.3° | 60.0° |
| H161 | C88 | C89 | H163 | 175.0° | 180.0° |
| C90 | C89 | H162 | H163 | 119.5° | 120.0° |
| C89 | C90 | C91 | H164 | 120.1° | 120.0° |
| C89 | C90 | C91 | H165 | 120.1° | 120.0° |
| C89 | C90 | H164 | H165 | 119.6° | 120.0° |
| C89 | C90 | C91 | H166 | 180.0° | 60.0° |
| C89 | C90 | C91 | H167 | 60.0° | 60.0° |
| C89 | C90 | C91 | H168 | 60.0° | 180.0° |
| H162 | C89 | C90 | C91 | 59.9° | 60.0° |
| H162 | C89 | C90 | H164 | 180.0° | 180.0° |
| H162 | C89 | C90 | H165 | 60.3° | 60.0° |
| H163 | C89 | C90 | C91 | 59.8° | 60.0° |
| H163 | C89 | C90 | H164 | 60.3° | 60.0° |
| H163 | C89 | C90 | H165 | 180.0° | 180.0° |
| C91 | C90 | H164 | H165 | 119.6° | 120.0° |
| C90 | C91 | H166 | H167 | 120.0° | 120.0° |
| C90 | C91 | H166 | H168 | 120.0° | 120.0° |
| C90 | C91 | H167 | H168 | 120.0° | 120.0° |
| H164 | C90 | C91 | H166 | 59.9° | 179.9° |
| H164 | C90 | C91 | H167 | 179.9° | 60.0° |
| H164 | C90 | C91 | H168 | 60.1° | 60.0° |
| H165 | C90 | C91 | H166 | 59.9° | 60.0° |
| H165 | C90 | C91 | H167 | 60.2° | 180.0° |
| H165 | C90 | C91 | H168 | 179.8° | 60.0° |
| H166 | C91 | H167 | H168 | 120.0° | 120.0° |
| O17 | C92 | O18 | N1 | 179.9° | 179.9° |
| O17 | C92 | O18 | C93 | 14.7° | 0.0° |
| C92 | O18 | C93 | C94 | 61.5° | 60.0° |
| C92 | O18 | C93 | C95 | 65.3° | 180.0° |
| C92 | O18 | C93 | C96 | 177.9° | 60.0° |
| O18 | C93 | C94 | C95 | 128.4° | 120.0° |
| O18 | C93 | C94 | C96 | 115.3° | 120.0° |
| O18 | C93 | C95 | C96 | 116.1° | 120.0° |
| O18 | C93 | C94 | H169 | 180.0° | 60.0° |
| O18 | C93 | C94 | H170 | 60.0° | 180.0° |
| O18 | C93 | C94 | H171 | 60.0° | 60.1° |
| O18 | C93 | C95 | H172 | 180.0° | 60.0° |
| O18 | C93 | C95 | H173 | 60.0° | 179.9° |
| O18 | C93 | C95 | H174 | 60.0° | 60.0° |
| O18 | C93 | C96 | H175 | 180.0° | 60.0° |
| O18 | C93 | C96 | H176 | 60.0° | 180.0° |
| O18 | C93 | C96 | H177 | 60.0° | 60.0° |
| C93 | O18 | C92 | N1 | 165.2° | 180.0° |
| C94 | C93 | C95 | C96 | 116.6° | 120.0° |
| C93 | C94 | H169 | H170 | 120.0° | 119.9° |
| C93 | C94 | H169 | H171 | 120.0° | 120.1° |
| C93 | C94 | H170 | H171 | 120.0° | 120.0° |
| C94 | C93 | C95 | H172 | 52.7° | 180.0° |
| C94 | C93 | C95 | H173 | 67.3° | 60.0° |
| C94 | C93 | C95 | H174 | 172.7° | 59.9° |
| C94 | C93 | C96 | H175 | 60.5° | 60.0° |
| C94 | C93 | C96 | H176 | 179.4° | 60.0° |
| C94 | C93 | C96 | H177 | 59.5° | 180.0° |
| C95 | C93 | C94 | H169 | 51.7° | 59.9° |
| C95 | C93 | C94 | H170 | 171.7° | 60.0° |
| C95 | C93 | C94 | H171 | 68.4° | 180.0° |
| C93 | C95 | H172 | H173 | 120.0° | 120.0° |
| C93 | C95 | H172 | H174 | 120.0° | 120.0° |
| C93 | C95 | H173 | H174 | 120.0° | 119.9° |
| C95 | C93 | C96 | H175 | 58.5° | 180.0° |
| C95 | C93 | C96 | H176 | 61.5° | 60.0° |
| C95 | C93 | C96 | H177 | 178.5° | 60.0° |
| C96 | C93 | C94 | H169 | 64.7° | 180.0° |
| C96 | C93 | C94 | H170 | 55.3° | 60.0° |
| C96 | C93 | C94 | H171 | 175.3° | 60.0° |
| C96 | C93 | C95 | H172 | 63.9° | 60.0° |
| C96 | C93 | C95 | H173 | 176.1° | 60.1° |
| C96 | C93 | C95 | H174 | 56.1° | 180.0° |
| C93 | C96 | H175 | H176 | 120.0° | 120.0° |
| C93 | C96 | H175 | H177 | 120.0° | 120.0° |
| C93 | C96 | H176 | H177 | 120.0° | 120.0° |
| H169 | C94 | H170 | H171 | 120.0° | 120.0° |
| H172 | C95 | H173 | H174 | 120.0° | 120.0° |
| H175 | C96 | H176 | H177 | 120.0° | 120.0° |
