PRD_001209
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | doub | 1.21Å | 1.23Å | |
| C6 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N3 | C7 | sing | 1.47Å | 1.46Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | O4 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.49Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | doub | 1.34Å | 1.36Å | Aromatic |
| C10 | C12 | sing | 1.46Å | 1.43Å | Aromatic |
| C11 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | doub | 1.41Å | 1.42Å | Aromatic |
| C12 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| N4 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C13 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C16 | doub | 1.37Å | 1.38Å | Aromatic |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| N5 | C18 | sing | 1.47Å | 1.46Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | O5 | doub | 1.21Å | 1.23Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| N6 | C27 | sing | 1.46Å | 1.46Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | O6 | doub | 1.21Å | 1.23Å | |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | O7 | doub | 1.21Å | 1.23Å | |
| C30 | N7 | sing | 1.35Å | 1.33Å | |
| N7 | H33 | sing | 0.97Å | 1.00Å | |
| N7 | H34 | sing | 0.97Å | 1.00Å | |
| N8 | C31 | sing | 1.46Å | 1.46Å | |
| N8 | H35 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | O8 | doub | 1.21Å | 1.23Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | C35 | sing | 1.53Å | 1.52Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | C36 | sing | 1.53Å | 1.51Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H40 | sing | 1.09Å | 1.10Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C36 | H43 | sing | 1.09Å | 1.10Å | |
| C36 | H44 | sing | 1.09Å | 1.10Å | |
| C36 | H45 | sing | 1.09Å | 1.10Å | |
| N9 | C37 | sing | 1.47Å | 1.46Å | |
| N9 | H46 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.52Å | |
| C37 | C39 | sing | 1.53Å | 1.54Å | |
| C37 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | O9 | doub | 1.21Å | 1.23Å | |
| C39 | O10 | sing | 1.43Å | 1.43Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C39 | H48 | sing | 1.09Å | 1.10Å | |
| O10 | H49 | sing | 0.97Å | 0.95Å | |
| C40 | H50 | sing | 1.09Å | 1.10Å | |
| C40 | H51 | sing | 1.09Å | 1.10Å | |
| C40 | H52 | sing | 1.09Å | 1.10Å | |
| N10 | C41 | sing | 1.47Å | 1.46Å | |
| N10 | H53 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.51Å | 1.52Å | |
| C41 | C43 | sing | 1.53Å | 1.53Å | |
| C41 | H54 | sing | 1.09Å | 1.10Å | |
| C42 | O11 | doub | 1.21Å | 1.23Å | |
| C43 | C44 | sing | 1.51Å | 1.51Å | |
| C43 | H55 | sing | 1.09Å | 1.10Å | |
| C43 | H56 | sing | 1.09Å | 1.10Å | |
| C44 | O12 | doub | 1.21Å | 1.23Å | |
| C44 | N11 | sing | 1.35Å | 1.33Å | |
| N11 | H57 | sing | 0.97Å | 1.00Å | |
| N11 | H58 | sing | 0.97Å | 1.00Å | |
| N12 | C45 | sing | 1.47Å | 1.42Å | |
| N12 | H59 | sing | 0.97Å | 1.00Å | |
| C45 | C46 | sing | 1.53Å | 1.50Å | |
| C45 | C48 | sing | 1.53Å | 1.48Å | |
| C45 | C49 | sing | 1.51Å | 1.53Å | |
| C46 | C47 | sing | 1.51Å | 1.53Å | |
| C46 | H60 | sing | 1.09Å | 1.10Å | |
| C46 | H61 | sing | 1.09Å | 1.10Å | |
| C47 | H62 | sing | 1.08Å | 1.08Å | |
| C48 | H63 | sing | 1.09Å | 1.10Å | |
| C48 | H64 | sing | 1.09Å | 1.10Å | |
| C48 | H65 | sing | 1.09Å | 1.10Å | |
| C49 | O13 | doub | 1.21Å | 1.23Å | |
| N13 | C50 | sing | 1.48Å | 1.48Å | |
| N13 | H66 | sing | 0.97Å | 1.00Å | |
| C50 | C51 | sing | 1.51Å | 1.54Å | |
| C50 | C52 | sing | 1.53Å | 1.51Å | |
| C50 | H67 | sing | 1.09Å | 1.10Å | |
| C51 | O14 | doub | 1.21Å | 1.22Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C52 | H68 | sing | 1.09Å | 1.10Å | |
| C52 | H69 | sing | 1.09Å | 1.10Å | |
| C53 | C54 | sing | 1.53Å | 1.55Å | |
| C53 | C55 | sing | 1.53Å | 1.50Å | |
| C53 | H70 | sing | 1.09Å | 1.10Å | |
| C54 | H71 | sing | 1.09Å | 1.10Å | |
| C54 | H72 | sing | 1.09Å | 1.10Å | |
| C54 | H73 | sing | 1.09Å | 1.10Å | |
| C55 | H74 | sing | 1.09Å | 1.10Å | |
| C55 | H75 | sing | 1.09Å | 1.10Å | |
| C55 | H76 | sing | 1.09Å | 1.10Å | |
| N14 | C56 | sing | 1.48Å | 1.47Å | |
| N14 | H77 | sing | 0.97Å | 1.00Å | |
| C56 | C57 | sing | 1.51Å | 1.52Å | |
| C56 | C58 | sing | 1.53Å | 1.54Å | |
| C56 | H78 | sing | 1.09Å | 1.10Å | |
| C57 | O15 | doub | 1.21Å | 1.20Å | |
| C58 | C59 | sing | 1.51Å | 1.53Å | |
| C58 | H79 | sing | 1.09Å | 1.10Å | |
| C58 | H80 | sing | 1.09Å | 1.10Å | |
| C59 | C60 | doub | 1.34Å | 1.39Å | Aromatic |
| C59 | C61 | sing | 1.46Å | 1.40Å | Aromatic |
| C60 | N15 | sing | 1.37Å | 1.34Å | Aromatic |
| C60 | H81 | sing | 1.08Å | 1.08Å | |
| C61 | C62 | doub | 1.41Å | 1.39Å | Aromatic |
| C61 | C63 | sing | 1.40Å | 1.39Å | Aromatic |
| N15 | C62 | sing | 1.38Å | 1.34Å | Aromatic |
| N15 | H82 | sing | 0.97Å | 1.00Å | |
| C62 | C64 | sing | 1.39Å | 1.39Å | Aromatic |
| C63 | C65 | doub | 1.37Å | 1.39Å | Aromatic |
| C63 | H83 | sing | 1.08Å | 1.08Å | |
| C64 | C66 | doub | 1.38Å | 1.39Å | Aromatic |
| C64 | H84 | sing | 1.08Å | 1.08Å | |
| C65 | C66 | sing | 1.39Å | 1.39Å | Aromatic |
| C65 | H85 | sing | 1.08Å | 1.08Å | |
| C66 | H86 | sing | 1.08Å | 1.08Å | |
| C67 | C68 | sing | 1.51Å | 1.54Å | |
| N16 | H87 | sing | 0.97Å | 1.00Å | |
| O16 | C67 | doub | 1.21Å | 1.22Å | |
| C68 | N16 | sing | 1.48Å | 1.49Å | |
| C68 | C69 | sing | 1.53Å | 1.53Å | |
| C69 | H88 | sing | 1.09Å | 1.10Å | |
| C69 | H89 | sing | 1.09Å | 1.10Å | |
| C70 | C72 | sing | 1.53Å | 1.54Å | |
| C70 | H90 | sing | 1.09Å | 1.10Å | |
| C70 | H91 | sing | 1.09Å | 1.10Å | |
| C71 | C70 | sing | 1.51Å | 1.53Å | |
| C71 | H92 | sing | 1.08Å | 1.08Å | |
| C72 | C69 | sing | 1.53Å | 1.56Å | |
| C72 | H93 | sing | 1.09Å | 1.10Å | |
| C72 | H94 | sing | 1.09Å | 1.10Å | |
| C73 | C68 | sing | 1.53Å | 1.51Å | |
| C73 | H95 | sing | 1.09Å | 1.10Å | |
| C73 | H96 | sing | 1.09Å | 1.10Å | |
| C73 | H97 | sing | 1.09Å | 1.10Å | |
| N17 | C74 | sing | 1.46Å | 1.47Å | |
| N17 | H98 | sing | 0.97Å | 1.00Å | |
| C74 | C75 | sing | 1.51Å | 1.53Å | |
| C74 | C76 | sing | 1.53Å | 1.56Å | |
| C74 | H99 | sing | 1.09Å | 1.10Å | |
| C75 | O17 | doub | 1.21Å | 1.22Å | |
| C76 | C77 | sing | 1.53Å | 1.54Å | |
| C76 | C78 | sing | 1.53Å | 1.51Å | |
| C76 | H100 | sing | 1.09Å | 1.10Å | |
| C77 | C79 | sing | 1.53Å | 1.54Å | |
| C77 | H101 | sing | 1.09Å | 1.10Å | |
| C77 | H102 | sing | 1.09Å | 1.10Å | |
| C78 | H103 | sing | 1.09Å | 1.10Å | |
| C78 | H104 | sing | 1.09Å | 1.10Å | |
| C78 | H105 | sing | 1.09Å | 1.10Å | |
| C79 | H106 | sing | 1.09Å | 1.10Å | |
| C79 | H107 | sing | 1.09Å | 1.10Å | |
| C79 | H108 | sing | 1.09Å | 1.10Å | |
| N18 | C80 | sing | 1.47Å | 1.46Å | |
| N18 | H109 | sing | 0.97Å | 1.00Å | |
| C80 | C81 | sing | 1.51Å | 1.52Å | |
| C80 | C82 | sing | 1.53Å | 1.53Å | |
| C80 | H110 | sing | 1.09Å | 1.10Å | |
| C81 | O18 | doub | 1.21Å | 1.22Å | |
| C82 | C83 | sing | 1.53Å | 1.54Å | |
| C82 | H111 | sing | 1.09Å | 1.10Å | |
| C82 | H112 | sing | 1.09Å | 1.10Å | |
| C83 | C84 | sing | 1.53Å | 1.53Å | |
| C83 | H113 | sing | 1.09Å | 1.10Å | |
| C83 | H114 | sing | 1.09Å | 1.10Å | |
| C84 | C85 | sing | 1.53Å | 1.53Å | |
| C84 | H115 | sing | 1.09Å | 1.10Å | |
| C84 | H116 | sing | 1.09Å | 1.10Å | |
| C85 | N19 | sing | 1.47Å | 1.44Å | |
| C85 | H117 | sing | 1.09Å | 1.10Å | |
| C85 | H118 | sing | 1.09Å | 1.10Å | |
| N19 | H119 | sing | 1.01Å | 1.00Å | |
| N19 | H120 | sing | 1.01Å | 1.00Å | |
| N19 | H121 | sing | 1.01Å | 1.00Å | |
| N20 | C86 | sing | 1.46Å | 1.46Å | |
| N20 | H122 | sing | 0.97Å | 1.00Å | |
| C86 | C87 | sing | 1.51Å | 1.53Å | |
| C86 | C88 | sing | 1.53Å | 1.53Å | |
| C86 | H123 | sing | 1.09Å | 1.10Å | |
| C87 | O19 | doub | 1.21Å | 1.23Å | |
| C88 | C89 | sing | 1.53Å | 1.52Å | |
| C88 | H124 | sing | 1.09Å | 1.10Å | |
| C88 | H125 | sing | 1.09Å | 1.10Å | |
| C89 | C90 | sing | 1.53Å | 1.52Å | |
| C89 | H126 | sing | 1.09Å | 1.10Å | |
| C89 | H127 | sing | 1.09Å | 1.10Å | |
| C90 | C91 | sing | 1.53Å | 1.52Å | |
| C90 | H128 | sing | 1.09Å | 1.10Å | |
| C90 | H129 | sing | 1.09Å | 1.10Å | |
| C91 | N21 | sing | 1.47Å | 1.49Å | |
| C91 | H130 | sing | 1.09Å | 1.10Å | |
| C91 | H131 | sing | 1.09Å | 1.10Å | |
| N21 | H132 | sing | 1.01Å | 1.00Å | |
| N21 | H133 | sing | 1.01Å | 1.00Å | |
| N21 | H134 | sing | 1.01Å | 1.00Å | |
| N22 | C92 | sing | 1.46Å | 1.46Å | |
| N22 | H135 | sing | 0.97Å | 1.00Å | |
| C92 | C93 | sing | 1.51Å | 1.53Å | |
| C92 | C94 | sing | 1.53Å | 1.53Å | |
| C92 | H136 | sing | 1.09Å | 1.10Å | |
| C93 | O20 | doub | 1.21Å | 1.23Å | |
| C94 | C95 | sing | 1.53Å | 1.52Å | |
| C94 | H137 | sing | 1.09Å | 1.10Å | |
| C94 | H138 | sing | 1.09Å | 1.10Å | |
| C95 | C96 | sing | 1.53Å | 1.52Å | |
| C95 | H139 | sing | 1.09Å | 1.10Å | |
| C95 | H140 | sing | 1.09Å | 1.10Å | |
| C96 | C97 | sing | 1.53Å | 1.52Å | |
| C96 | H141 | sing | 1.09Å | 1.10Å | |
| C96 | H142 | sing | 1.09Å | 1.10Å | |
| C97 | N23 | sing | 1.47Å | 1.49Å | |
| C97 | H143 | sing | 1.09Å | 1.10Å | |
| C97 | H144 | sing | 1.09Å | 1.10Å | |
| N23 | H145 | sing | 1.01Å | 1.00Å | |
| N23 | H146 | sing | 1.01Å | 1.00Å | |
| N23 | H147 | sing | 1.01Å | 1.00Å | |
| N24 | C98 | sing | 1.46Å | 1.48Å | |
| N24 | H148 | sing | 0.97Å | 1.00Å | |
| C98 | C99 | sing | 1.51Å | 1.51Å | |
| C98 | C100 | sing | 1.53Å | 1.52Å | |
| C98 | H149 | sing | 1.09Å | 1.10Å | |
| C99 | O21 | doub | 1.21Å | 1.27Å | |
| C99 | O22 | sing | 1.34Å | 1.26Å | |
| C100 | C101 | sing | 1.53Å | 1.52Å | |
| C100 | H150 | sing | 1.09Å | 1.10Å | |
| C100 | H151 | sing | 1.09Å | 1.10Å | |
| C101 | C102 | sing | 1.53Å | 1.53Å | |
| C101 | H152 | sing | 1.09Å | 1.10Å | |
| C101 | H153 | sing | 1.09Å | 1.10Å | |
| C102 | C103 | sing | 1.53Å | 1.51Å | |
| C102 | H154 | sing | 1.09Å | 1.10Å | |
| C102 | H155 | sing | 1.09Å | 1.10Å | |
| C103 | N25 | sing | 1.47Å | 1.46Å | |
| C103 | H156 | sing | 1.09Å | 1.10Å | |
| C103 | H157 | sing | 1.09Å | 1.10Å | |
| N25 | H158 | sing | 1.01Å | 1.00Å | |
| N25 | H159 | sing | 1.01Å | 1.00Å | |
| N25 | H160 | sing | 1.01Å | 1.00Å | |
| O22 | H161 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C4 | N3 | sing | 1.35Å | 1.33Å | |
| C8 | N5 | sing | 1.35Å | 1.33Å | |
| C19 | N6 | sing | 1.35Å | 1.33Å | |
| C28 | N8 | sing | 1.35Å | 1.33Å | |
| C32 | N9 | sing | 1.35Å | 1.33Å | |
| C38 | N10 | sing | 1.35Å | 1.33Å | |
| C42 | N12 | sing | 1.35Å | 1.33Å | |
| C47 | C71 | doub | 1.31Å | 1.51Å | |
| C49 | N13 | sing | 1.37Å | 1.47Å | |
| C51 | N14 | sing | 1.36Å | 1.46Å | |
| C57 | N16 | sing | 1.37Å | 1.49Å | |
| C67 | N17 | sing | 1.35Å | 1.49Å | |
| C75 | N18 | sing | 1.35Å | 1.46Å | |
| C81 | N20 | sing | 1.35Å | 1.33Å | |
| C87 | N22 | sing | 1.35Å | 1.33Å | |
| C93 | N24 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 122.6° | 120.0° |
| O1 | C1 | N1 | 135.6° | 120.1° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N1 | 100.9° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.4° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 128.7° | 120.0° |
| N1 | C3 | C4 | 112.3° | 109.5° |
| N1 | C3 | C5 | 110.6° | 109.5° |
| N1 | C3 | H5 | 108.3° | 109.4° |
| C3 | N1 | C1 | 102.5° | 119.9° |
| H4 | N1 | C1 | 128.8° | 120.0° |
| C4 | C3 | C5 | 110.8° | 109.5° |
| C4 | C3 | H5 | 107.4° | 109.5° |
| C3 | C4 | O2 | 121.2° | 120.0° |
| C3 | C4 | N3 | 115.7° | 120.0° |
| C5 | C3 | H5 | 107.4° | 109.5° |
| C3 | C5 | C6 | 112.8° | 109.5° |
| C3 | C5 | H6 | 108.6° | 109.5° |
| C3 | C5 | H7 | 108.6° | 109.5° |
| O2 | C4 | N3 | 123.1° | 120.0° |
| C6 | C5 | H6 | 108.7° | 109.4° |
| C6 | C5 | H7 | 108.7° | 109.4° |
| C5 | C6 | O3 | 121.0° | 120.0° |
| C5 | C6 | N2 | 116.4° | 120.0° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| O3 | C6 | N2 | 122.7° | 120.0° |
| C6 | N2 | H8 | 120.0° | 120.1° |
| C6 | N2 | H9 | 120.0° | 120.0° |
| H8 | N2 | H9 | 120.0° | 119.9° |
| C7 | N3 | H10 | 118.7° | 120.0° |
| N3 | C7 | C8 | 112.5° | 109.5° |
| N3 | C7 | C9 | 109.4° | 109.5° |
| N3 | C7 | H11 | 108.7° | 109.4° |
| C7 | N3 | C4 | 122.5° | 120.0° |
| H10 | N3 | C4 | 118.7° | 120.0° |
| C8 | C7 | C9 | 110.3° | 109.5° |
| C8 | C7 | H11 | 107.9° | 109.5° |
| C7 | C8 | O4 | 120.9° | 120.0° |
| C7 | C8 | N5 | 116.3° | 120.0° |
| C9 | C7 | H11 | 107.8° | 109.5° |
| C7 | C9 | C10 | 114.6° | 109.5° |
| C7 | C9 | H12 | 108.2° | 109.5° |
| C7 | C9 | H13 | 108.2° | 109.5° |
| O4 | C8 | N5 | 122.8° | 120.0° |
| C10 | C9 | H12 | 108.2° | 109.4° |
| C10 | C9 | H13 | 108.2° | 109.5° |
| C9 | C10 | C11 | 127.0° | 126.5° |
| C9 | C10 | C12 | 126.4° | 126.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| C11 | C10 | C12 | 106.6° | 107.0° |
| C10 | C11 | N4 | 110.0° | 109.9° |
| C10 | C11 | H14 | 125.0° | 125.1° |
| C10 | C12 | C13 | 107.0° | 106.0° |
| C10 | C12 | C14 | 134.4° | 134.0° |
| N4 | C11 | H14 | 125.0° | 125.0° |
| C11 | N4 | C13 | 108.9° | 109.8° |
| C11 | N4 | H15 | 125.5° | 125.1° |
| C13 | C12 | C14 | 118.6° | 119.9° |
| C12 | C13 | N4 | 107.4° | 107.2° |
| C12 | C13 | C15 | 122.3° | 119.3° |
| C12 | C14 | C16 | 119.1° | 119.8° |
| C12 | C14 | H16 | 120.5° | 120.1° |
| C13 | N4 | H15 | 125.5° | 125.0° |
| N4 | C13 | C15 | 130.3° | 133.5° |
| C13 | C15 | C17 | 117.5° | 119.8° |
| C13 | C15 | H17 | 121.2° | 120.1° |
| C16 | C14 | H16 | 120.5° | 120.1° |
| C14 | C16 | C17 | 121.1° | 120.5° |
| C14 | C16 | H18 | 119.5° | 119.8° |
| C17 | C15 | H17 | 121.3° | 120.2° |
| C15 | C17 | C16 | 121.5° | 120.6° |
| C15 | C17 | H19 | 119.3° | 119.7° |
| C17 | C16 | H18 | 119.4° | 119.7° |
| C16 | C17 | H19 | 119.3° | 119.7° |
| C18 | N5 | H20 | 119.2° | 120.0° |
| N5 | C18 | C19 | 113.6° | 109.5° |
| N5 | C18 | C20 | 110.2° | 109.5° |
| N5 | C18 | H21 | 108.0° | 109.5° |
| C18 | N5 | C8 | 121.6° | 120.0° |
| H20 | N5 | C8 | 119.2° | 120.0° |
| C19 | C18 | C20 | 110.5° | 109.5° |
| C19 | C18 | H21 | 107.1° | 109.5° |
| C18 | C19 | O5 | 120.7° | 120.0° |
| C18 | C19 | N6 | 116.3° | 120.0° |
| C20 | C18 | H21 | 107.1° | 109.5° |
| C18 | C20 | C21 | 113.3° | 109.5° |
| C18 | C20 | H22 | 108.5° | 109.4° |
| C18 | C20 | H23 | 108.5° | 109.5° |
| O5 | C19 | N6 | 123.0° | 120.0° |
| C21 | C20 | H22 | 108.5° | 109.5° |
| C21 | C20 | H23 | 108.5° | 109.5° |
| C20 | C21 | C22 | 120.7° | 120.0° |
| C20 | C21 | C23 | 120.5° | 120.0° |
| H22 | C20 | H23 | 109.5° | 109.5° |
| C22 | C21 | C23 | 118.8° | 120.0° |
| C21 | C22 | C24 | 120.8° | 119.9° |
| C21 | C22 | H24 | 119.6° | 120.1° |
| C21 | C23 | C25 | 120.7° | 120.0° |
| C21 | C23 | H25 | 119.6° | 120.0° |
| C24 | C22 | H24 | 119.6° | 120.0° |
| C22 | C24 | C26 | 120.0° | 120.0° |
| C22 | C24 | H26 | 120.0° | 120.0° |
| C25 | C23 | H25 | 119.6° | 120.0° |
| C23 | C25 | C26 | 119.9° | 120.0° |
| C23 | C25 | H27 | 120.1° | 120.0° |
| C26 | C24 | H26 | 120.0° | 119.9° |
| C24 | C26 | C25 | 119.8° | 120.0° |
| C24 | C26 | H28 | 120.1° | 120.0° |
| C26 | C25 | H27 | 120.1° | 120.0° |
| C25 | C26 | H28 | 120.1° | 120.0° |
| C27 | N6 | H29 | 119.3° | 120.0° |
| N6 | C27 | C28 | 113.2° | 109.5° |
| N6 | C27 | C29 | 110.4° | 109.5° |
| N6 | C27 | H30 | 108.4° | 109.4° |
| C27 | N6 | C19 | 121.3° | 120.0° |
| H29 | N6 | C19 | 119.3° | 120.0° |
| C28 | C27 | C29 | 109.6° | 109.5° |
| C28 | C27 | H30 | 107.5° | 109.5° |
| C27 | C28 | O6 | 120.6° | 120.0° |
| C27 | C28 | N8 | 116.0° | 120.0° |
| C29 | C27 | H30 | 107.5° | 109.4° |
| C27 | C29 | C30 | 112.6° | 109.5° |
| C27 | C29 | H31 | 108.7° | 109.5° |
| C27 | C29 | H32 | 108.7° | 109.5° |
| O6 | C28 | N8 | 123.4° | 120.0° |
| C30 | C29 | H31 | 108.7° | 109.5° |
| C30 | C29 | H32 | 108.7° | 109.5° |
| C29 | C30 | O7 | 120.8° | 120.0° |
| C29 | C30 | N7 | 116.6° | 120.0° |
| H31 | C29 | H32 | 109.5° | 109.4° |
| O7 | C30 | N7 | 122.6° | 120.0° |
| C30 | N7 | H33 | 120.0° | 120.0° |
| C30 | N7 | H34 | 120.0° | 120.0° |
| H33 | N7 | H34 | 120.0° | 120.0° |
| C31 | N8 | H35 | 118.5° | 120.0° |
| N8 | C31 | C32 | 115.5° | 109.5° |
| N8 | C31 | C33 | 111.1° | 109.5° |
| N8 | C31 | H36 | 107.6° | 109.5° |
| C31 | N8 | C28 | 123.1° | 120.0° |
| H35 | N8 | C28 | 118.4° | 120.0° |
| C32 | C31 | C33 | 108.5° | 109.5° |
| C32 | C31 | H36 | 106.9° | 109.5° |
| C31 | C32 | O8 | 120.4° | 120.0° |
| C31 | C32 | N9 | 117.1° | 120.0° |
| C33 | C31 | H36 | 106.8° | 109.5° |
| C31 | C33 | C34 | 110.3° | 109.5° |
| C31 | C33 | C35 | 110.2° | 109.5° |
| C31 | C33 | H37 | 108.3° | 109.5° |
| O8 | C32 | N9 | 122.5° | 120.0° |
| C34 | C33 | C35 | 111.0° | 109.5° |
| C34 | C33 | H37 | 108.4° | 109.4° |
| C33 | C34 | C36 | 113.5° | 109.5° |
| C33 | C34 | H38 | 108.4° | 109.5° |
| C33 | C34 | H39 | 108.5° | 109.5° |
| C35 | C33 | H37 | 108.5° | 109.4° |
| C33 | C35 | H40 | 109.5° | 109.5° |
| C33 | C35 | H41 | 109.5° | 109.5° |
| C33 | C35 | H42 | 109.5° | 109.5° |
| C36 | C34 | H38 | 108.5° | 109.5° |
| C36 | C34 | H39 | 108.4° | 109.5° |
| C34 | C36 | H43 | 109.5° | 109.5° |
| C34 | C36 | H44 | 109.5° | 109.5° |
| C34 | C36 | H45 | 109.5° | 109.5° |
| H38 | C34 | H39 | 109.5° | 109.5° |
| H40 | C35 | H41 | 109.5° | 109.4° |
| H40 | C35 | H42 | 109.5° | 109.4° |
| H41 | C35 | H42 | 109.4° | 109.5° |
| H43 | C36 | H44 | 109.5° | 109.4° |
| H43 | C36 | H45 | 109.5° | 109.4° |
| H44 | C36 | H45 | 109.4° | 109.4° |
| C37 | N9 | H46 | 119.6° | 120.0° |
| N9 | C37 | C38 | 111.8° | 109.4° |
| N9 | C37 | C39 | 112.1° | 109.4° |
| N9 | C37 | H47 | 108.3° | 109.5° |
| C37 | N9 | C32 | 120.8° | 120.0° |
| H46 | N9 | C32 | 119.6° | 120.0° |
| C38 | C37 | C39 | 109.6° | 109.5° |
| C38 | C37 | H47 | 107.5° | 109.5° |
| C37 | C38 | O9 | 120.6° | 120.0° |
| C37 | C38 | N10 | 116.3° | 119.9° |
| C39 | C37 | H47 | 107.3° | 109.5° |
| C37 | C39 | O10 | 109.4° | 109.4° |
| C37 | C39 | C40 | 110.6° | 109.5° |
| C37 | C39 | H48 | 108.7° | 109.5° |
| O9 | C38 | N10 | 123.0° | 120.1° |
| O10 | C39 | C40 | 109.0° | 109.5° |
| O10 | C39 | H48 | 110.2° | 109.5° |
| C39 | O10 | H49 | 109.5° | 114.0° |
| C40 | C39 | H48 | 108.9° | 109.5° |
| C39 | C40 | H50 | 109.5° | 109.5° |
| C39 | C40 | H51 | 109.5° | 109.5° |
| C39 | C40 | H52 | 109.4° | 109.5° |
| H50 | C40 | H51 | 109.5° | 109.5° |
| H50 | C40 | H52 | 109.4° | 109.4° |
| H51 | C40 | H52 | 109.5° | 109.5° |
| C41 | N10 | H53 | 119.1° | 119.9° |
| N10 | C41 | C42 | 110.4° | 109.5° |
| N10 | C41 | C43 | 110.6° | 109.5° |
| N10 | C41 | H54 | 109.2° | 109.4° |
| C41 | N10 | C38 | 121.8° | 120.0° |
| H53 | N10 | C38 | 119.1° | 120.1° |
| C42 | C41 | C43 | 110.3° | 109.5° |
| C42 | C41 | H54 | 108.2° | 109.5° |
| C41 | C42 | O11 | 120.8° | 120.0° |
| C41 | C42 | N12 | 115.7° | 120.0° |
| C43 | C41 | H54 | 108.2° | 109.5° |
| C41 | C43 | C44 | 112.5° | 109.5° |
| C41 | C43 | H55 | 108.7° | 109.4° |
| C41 | C43 | H56 | 108.7° | 109.4° |
| O11 | C42 | N12 | 123.5° | 120.0° |
| C44 | C43 | H55 | 108.7° | 109.5° |
| C44 | C43 | H56 | 108.7° | 109.5° |
| C43 | C44 | O12 | 121.0° | 120.0° |
| C43 | C44 | N11 | 116.4° | 120.0° |
| H55 | C43 | H56 | 109.5° | 109.5° |
| O12 | C44 | N11 | 122.6° | 120.0° |
| C44 | N11 | H57 | 120.0° | 120.0° |
| C44 | N11 | H58 | 120.0° | 120.0° |
| H57 | N11 | H58 | 120.0° | 120.0° |
| C45 | N12 | H59 | 119.0° | 120.0° |
| N12 | C45 | C46 | 111.6° | 109.5° |
| N12 | C45 | C48 | 107.2° | 109.5° |
| N12 | C45 | C49 | 106.2° | 109.4° |
| C45 | N12 | C42 | 122.1° | 119.9° |
| H59 | N12 | C42 | 119.0° | 120.0° |
| C46 | C45 | C48 | 107.0° | 109.5° |
| C46 | C45 | C49 | 117.7° | 109.5° |
| C45 | C46 | C47 | 123.8° | 109.5° |
| C45 | C46 | H60 | 105.8° | 109.5° |
| C45 | C46 | H61 | 105.8° | 109.5° |
| C48 | C45 | C49 | 106.6° | 109.5° |
| C45 | C48 | H63 | 109.5° | 109.5° |
| C45 | C48 | H64 | 109.5° | 109.5° |
| C45 | C48 | H65 | 109.5° | 109.5° |
| C45 | C49 | O13 | 123.3° | 120.8° |
| C45 | C49 | N13 | 116.1° | 118.4° |
| C47 | C46 | H60 | 105.8° | 109.4° |
| C47 | C46 | H61 | 105.8° | 109.5° |
| C46 | C47 | H62 | 122.0° | 120.0° |
| C46 | C47 | C71 | 115.9° | 120.0° |
| H60 | C46 | H61 | 109.5° | 109.5° |
| H62 | C47 | C71 | 122.0° | 120.0° |
| H63 | C48 | H64 | 109.4° | 109.5° |
| H63 | C48 | H65 | 109.5° | 109.5° |
| H64 | C48 | H65 | 109.5° | 109.4° |
| O13 | C49 | N13 | 120.6° | 120.8° |
| C50 | N13 | H66 | 118.8° | 122.8° |
| N13 | C50 | C51 | 114.0° | 108.4° |
| N13 | C50 | C52 | 107.8° | 109.7° |
| N13 | C50 | H67 | 108.2° | 109.6° |
| C50 | N13 | C49 | 122.4° | 114.5° |
| H66 | N13 | C49 | 118.8° | 122.8° |
| C51 | C50 | C52 | 111.1° | 109.6° |
| C51 | C50 | H67 | 107.5° | 109.6° |
| C50 | C51 | O14 | 118.6° | 120.6° |
| C50 | C51 | N14 | 120.7° | 118.9° |
| C52 | C50 | H67 | 107.9° | 109.8° |
| C50 | C52 | C53 | 118.1° | 109.5° |
| C50 | C52 | H68 | 107.3° | 109.5° |
| C50 | C52 | H69 | 107.3° | 109.5° |
| O14 | C51 | N14 | 120.7° | 120.5° |
| C53 | C52 | H68 | 107.3° | 109.5° |
| C53 | C52 | H69 | 107.3° | 109.5° |
| C52 | C53 | C54 | 113.4° | 109.5° |
| C52 | C53 | C55 | 113.9° | 109.5° |
| C52 | C53 | H70 | 104.9° | 109.5° |
| H68 | C52 | H69 | 109.5° | 109.4° |
| C54 | C53 | C55 | 113.7° | 109.4° |
| C54 | C53 | H70 | 104.6° | 109.5° |
| C53 | C54 | H71 | 109.5° | 109.5° |
| C53 | C54 | H72 | 109.5° | 109.5° |
| C53 | C54 | H73 | 109.4° | 109.5° |
| C55 | C53 | H70 | 105.0° | 109.4° |
| C53 | C55 | H74 | 109.5° | 109.4° |
| C53 | C55 | H75 | 109.4° | 109.4° |
| C53 | C55 | H76 | 109.4° | 109.5° |
| H71 | C54 | H72 | 109.4° | 109.5° |
| H71 | C54 | H73 | 109.5° | 109.4° |
| H72 | C54 | H73 | 109.5° | 109.4° |
| H74 | C55 | H75 | 109.5° | 109.5° |
| H74 | C55 | H76 | 109.5° | 109.5° |
| H75 | C55 | H76 | 109.5° | 109.5° |
| C56 | N14 | H77 | 120.1° | 122.0° |
| N14 | C56 | C57 | 108.9° | 108.7° |
| N14 | C56 | C58 | 114.7° | 109.6° |
| N14 | C56 | H78 | 107.7° | 109.6° |
| C56 | N14 | C51 | 119.8° | 116.1° |
| H77 | N14 | C51 | 120.1° | 121.9° |
| C57 | C56 | C58 | 111.4° | 109.6° |
| C57 | C56 | H78 | 107.1° | 109.6° |
| C56 | C57 | O15 | 119.0° | 120.7° |
| C56 | C57 | N16 | 120.3° | 118.5° |
| C58 | C56 | H78 | 106.8° | 109.7° |
| C56 | C58 | C59 | 118.1° | 109.5° |
| C56 | C58 | H79 | 107.3° | 109.5° |
| C56 | C58 | H80 | 107.3° | 109.4° |
| O15 | C57 | N16 | 120.7° | 120.8° |
| C59 | C58 | H79 | 107.3° | 109.5° |
| C59 | C58 | H80 | 107.2° | 109.5° |
| C58 | C59 | C60 | 127.3° | 126.5° |
| C58 | C59 | C61 | 126.0° | 126.5° |
| H79 | C58 | H80 | 109.5° | 109.5° |
| C60 | C59 | C61 | 106.7° | 107.1° |
| C59 | C60 | N15 | 108.2° | 109.9° |
| C59 | C60 | H81 | 125.9° | 125.1° |
| C59 | C61 | C62 | 106.7° | 106.0° |
| C59 | C61 | C63 | 132.9° | 134.1° |
| N15 | C60 | H81 | 125.9° | 125.0° |
| C60 | N15 | C62 | 110.1° | 109.9° |
| C60 | N15 | H82 | 125.0° | 125.1° |
| C62 | C61 | C63 | 120.4° | 119.9° |
| C61 | C62 | N15 | 108.3° | 107.1° |
| C61 | C62 | C64 | 119.8° | 119.3° |
| C61 | C63 | C65 | 119.8° | 119.8° |
| C61 | C63 | H83 | 120.1° | 120.1° |
| C62 | N15 | H82 | 125.0° | 125.0° |
| N15 | C62 | C64 | 131.9° | 133.6° |
| C62 | C64 | C66 | 120.0° | 119.8° |
| C62 | C64 | H84 | 120.0° | 120.1° |
| C65 | C63 | H83 | 120.1° | 120.1° |
| C63 | C65 | C66 | 119.8° | 120.5° |
| C63 | C65 | H85 | 120.1° | 119.7° |
| C66 | C64 | H84 | 120.0° | 120.1° |
| C64 | C66 | C65 | 120.2° | 120.6° |
| C64 | C66 | H86 | 119.9° | 119.7° |
| C66 | C65 | H85 | 120.1° | 119.7° |
| C65 | C66 | H86 | 119.9° | 119.7° |
| C68 | C67 | O16 | 120.5° | 120.0° |
| C67 | C68 | N16 | 111.7° | 109.7° |
| C67 | C68 | C69 | 111.0° | 109.6° |
| C67 | C68 | C73 | 112.6° | 109.6° |
| C68 | C67 | N17 | 118.6° | 119.9° |
| H87 | N16 | C68 | 119.8° | 122.8° |
| H87 | N16 | C57 | 119.8° | 122.8° |
| O16 | C67 | N17 | 120.9° | 120.0° |
| N16 | C68 | C69 | 104.2° | 108.5° |
| N16 | C68 | C73 | 107.0° | 109.7° |
| C68 | N16 | C57 | 120.3° | 114.4° |
| C68 | C69 | H88 | 107.6° | 109.5° |
| C68 | C69 | H89 | 107.6° | 109.4° |
| C68 | C69 | C72 | 116.8° | 109.5° |
| C69 | C68 | C73 | 109.8° | 109.8° |
| H88 | C69 | H89 | 109.5° | 109.5° |
| H88 | C69 | C72 | 107.6° | 109.5° |
| H89 | C69 | C72 | 107.6° | 109.5° |
| C72 | C70 | H90 | 107.3° | 109.5° |
| C72 | C70 | H91 | 107.3° | 109.5° |
| C72 | C70 | C71 | 118.0° | 109.5° |
| C70 | C72 | C69 | 118.5° | 109.5° |
| C70 | C72 | H93 | 107.2° | 109.5° |
| C70 | C72 | H94 | 107.2° | 109.5° |
| H90 | C70 | H91 | 109.5° | 109.5° |
| H90 | C70 | C71 | 107.3° | 109.5° |
| H91 | C70 | C71 | 107.3° | 109.5° |
| C70 | C71 | H92 | 120.6° | 120.0° |
| C70 | C71 | C47 | 118.7° | 120.0° |
| H92 | C71 | C47 | 120.7° | 120.1° |
| C69 | C72 | H93 | 107.2° | 109.5° |
| C69 | C72 | H94 | 107.1° | 109.5° |
| H93 | C72 | H94 | 109.5° | 109.5° |
| C68 | C73 | H95 | 109.5° | 109.5° |
| C68 | C73 | H96 | 109.5° | 109.4° |
| C68 | C73 | H97 | 109.5° | 109.5° |
| H95 | C73 | H96 | 109.5° | 109.4° |
| H95 | C73 | H97 | 109.5° | 109.5° |
| H96 | C73 | H97 | 109.5° | 109.5° |
| C74 | N17 | H98 | 119.7° | 120.0° |
| N17 | C74 | C75 | 108.1° | 109.5° |
| N17 | C74 | C76 | 106.6° | 109.5° |
| N17 | C74 | H99 | 108.7° | 109.5° |
| C74 | N17 | C67 | 120.5° | 120.0° |
| H98 | N17 | C67 | 119.8° | 120.0° |
| C75 | C74 | C76 | 117.6° | 109.5° |
| C75 | C74 | H99 | 108.0° | 109.5° |
| C74 | C75 | O17 | 120.2° | 120.0° |
| C74 | C75 | N18 | 119.7° | 120.0° |
| C76 | C74 | H99 | 107.6° | 109.4° |
| C74 | C76 | C77 | 115.5° | 109.4° |
| C74 | C76 | C78 | 111.4° | 109.5° |
| C74 | C76 | H100 | 106.9° | 109.5° |
| O17 | C75 | N18 | 120.1° | 120.0° |
| C77 | C76 | C78 | 108.1° | 109.5° |
| C77 | C76 | H100 | 107.1° | 109.4° |
| C76 | C77 | C79 | 117.2° | 109.5° |
| C76 | C77 | H101 | 107.5° | 109.5° |
| C76 | C77 | H102 | 107.5° | 109.5° |
| C78 | C76 | H100 | 107.5° | 109.5° |
| C76 | C78 | H103 | 109.5° | 109.4° |
| C76 | C78 | H104 | 109.5° | 109.5° |
| C76 | C78 | H105 | 109.5° | 109.5° |
| C79 | C77 | H101 | 107.5° | 109.4° |
| C79 | C77 | H102 | 107.5° | 109.5° |
| C77 | C79 | H106 | 109.5° | 109.4° |
| C77 | C79 | H107 | 109.5° | 109.5° |
| C77 | C79 | H108 | 109.5° | 109.5° |
| H101 | C77 | H102 | 109.5° | 109.5° |
| H103 | C78 | H104 | 109.5° | 109.5° |
| H103 | C78 | H105 | 109.4° | 109.5° |
| H104 | C78 | H105 | 109.5° | 109.5° |
| H106 | C79 | H107 | 109.5° | 109.4° |
| H106 | C79 | H108 | 109.5° | 109.5° |
| H107 | C79 | H108 | 109.4° | 109.5° |
| C80 | N18 | H109 | 119.4° | 120.0° |
| N18 | C80 | C81 | 114.3° | 109.5° |
| N18 | C80 | C82 | 109.7° | 109.5° |
| N18 | C80 | H110 | 108.8° | 109.5° |
| C80 | N18 | C75 | 121.2° | 119.9° |
| H109 | N18 | C75 | 119.4° | 120.0° |
| C81 | C80 | C82 | 107.9° | 109.4° |
| C81 | C80 | H110 | 108.0° | 109.5° |
| C80 | C81 | O18 | 119.0° | 120.0° |
| C80 | C81 | N20 | 117.2° | 120.0° |
| C82 | C80 | H110 | 108.0° | 109.5° |
| C80 | C82 | C83 | 118.4° | 109.4° |
| C80 | C82 | H111 | 107.2° | 109.5° |
| C80 | C82 | H112 | 107.2° | 109.5° |
| O18 | C81 | N20 | 123.7° | 120.0° |
| C83 | C82 | H111 | 107.2° | 109.5° |
| C83 | C82 | H112 | 107.2° | 109.5° |
| C82 | C83 | C84 | 116.9° | 109.4° |
| C82 | C83 | H113 | 107.6° | 109.5° |
| C82 | C83 | H114 | 107.6° | 109.5° |
| H111 | C82 | H112 | 109.5° | 109.5° |
| C84 | C83 | H113 | 107.6° | 109.5° |
| C84 | C83 | H114 | 107.6° | 109.5° |
| C83 | C84 | C85 | 118.4° | 109.4° |
| C83 | C84 | H115 | 107.2° | 109.5° |
| C83 | C84 | H116 | 107.2° | 109.4° |
| H113 | C83 | H114 | 109.5° | 109.5° |
| C85 | C84 | H115 | 107.2° | 109.5° |
| C85 | C84 | H116 | 107.2° | 109.5° |
| C84 | C85 | N19 | 117.9° | 109.4° |
| C84 | C85 | H117 | 107.3° | 109.5° |
| C84 | C85 | H118 | 107.3° | 109.5° |
| H115 | C84 | H116 | 109.5° | 109.5° |
| N19 | C85 | H117 | 107.3° | 109.5° |
| N19 | C85 | H118 | 107.3° | 109.5° |
| C85 | N19 | H119 | 109.5° | 109.4° |
| C85 | N19 | H120 | 109.5° | 109.4° |
| C85 | N19 | H121 | 109.5° | 109.5° |
| H117 | C85 | H118 | 109.5° | 109.5° |
| H119 | N19 | H120 | 109.5° | 109.5° |
| H119 | N19 | H121 | 109.4° | 109.5° |
| H120 | N19 | H121 | 109.5° | 109.5° |
| C86 | N20 | H122 | 119.1° | 120.0° |
| N20 | C86 | C87 | 111.0° | 109.5° |
| N20 | C86 | C88 | 110.5° | 109.5° |
| N20 | C86 | H123 | 109.0° | 109.5° |
| C86 | N20 | C81 | 121.7° | 120.0° |
| H122 | N20 | C81 | 119.2° | 120.0° |
| C87 | C86 | C88 | 110.1° | 109.4° |
| C87 | C86 | H123 | 108.1° | 109.4° |
| C86 | C87 | O19 | 120.7° | 120.0° |
| C86 | C87 | N22 | 115.6° | 120.0° |
| C88 | C86 | H123 | 108.1° | 109.4° |
| C86 | C88 | C89 | 114.1° | 109.5° |
| C86 | C88 | H124 | 108.3° | 109.4° |
| C86 | C88 | H125 | 108.3° | 109.5° |
| O19 | C87 | N22 | 123.7° | 119.9° |
| C89 | C88 | H124 | 108.3° | 109.4° |
| C89 | C88 | H125 | 108.3° | 109.5° |
| C88 | C89 | C90 | 111.3° | 109.5° |
| C88 | C89 | H126 | 109.0° | 109.4° |
| C88 | C89 | H127 | 109.0° | 109.5° |
| H124 | C88 | H125 | 109.5° | 109.5° |
| C90 | C89 | H126 | 109.0° | 109.4° |
| C90 | C89 | H127 | 109.0° | 109.5° |
| C89 | C90 | C91 | 111.3° | 109.5° |
| C89 | C90 | H128 | 109.0° | 109.4° |
| C89 | C90 | H129 | 109.0° | 109.5° |
| H126 | C89 | H127 | 109.5° | 109.5° |
| C91 | C90 | H128 | 109.0° | 109.5° |
| C91 | C90 | H129 | 109.0° | 109.5° |
| C90 | C91 | N21 | 111.9° | 109.4° |
| C90 | C91 | H130 | 108.9° | 109.5° |
| C90 | C91 | H131 | 108.8° | 109.5° |
| H128 | C90 | H129 | 109.5° | 109.5° |
| N21 | C91 | H130 | 108.9° | 109.4° |
| N21 | C91 | H131 | 108.9° | 109.5° |
| C91 | N21 | H132 | 109.5° | 109.4° |
| C91 | N21 | H133 | 109.5° | 109.5° |
| C91 | N21 | H134 | 109.5° | 109.5° |
| H130 | C91 | H131 | 109.5° | 109.5° |
| H132 | N21 | H133 | 109.5° | 109.5° |
| H132 | N21 | H134 | 109.5° | 109.4° |
| H133 | N21 | H134 | 109.5° | 109.5° |
| C92 | N22 | H135 | 118.9° | 120.1° |
| N22 | C92 | C93 | 111.8° | 109.4° |
| N22 | C92 | C94 | 110.4° | 109.5° |
| N22 | C92 | H136 | 108.8° | 109.5° |
| C92 | N22 | C87 | 122.2° | 120.0° |
| H135 | N22 | C87 | 118.9° | 120.0° |
| C93 | C92 | C94 | 110.0° | 109.5° |
| C93 | C92 | H136 | 107.9° | 109.4° |
| C92 | C93 | O20 | 120.2° | 120.0° |
| C92 | C93 | N24 | 117.3° | 120.0° |
| C94 | C92 | H136 | 107.8° | 109.5° |
| C92 | C94 | C95 | 114.1° | 109.5° |
| C92 | C94 | H137 | 108.3° | 109.5° |
| C92 | C94 | H138 | 108.3° | 109.5° |
| O20 | C93 | N24 | 122.5° | 120.0° |
| C95 | C94 | H137 | 108.3° | 109.5° |
| C95 | C94 | H138 | 108.3° | 109.5° |
| C94 | C95 | C96 | 111.3° | 109.5° |
| C94 | C95 | H139 | 109.0° | 109.5° |
| C94 | C95 | H140 | 109.0° | 109.4° |
| H137 | C94 | H138 | 109.5° | 109.5° |
| C96 | C95 | H139 | 109.0° | 109.5° |
| C96 | C95 | H140 | 109.0° | 109.4° |
| C95 | C96 | C97 | 111.3° | 109.5° |
| C95 | C96 | H141 | 109.0° | 109.5° |
| C95 | C96 | H142 | 109.0° | 109.5° |
| H139 | C95 | H140 | 109.4° | 109.5° |
| C97 | C96 | H141 | 109.0° | 109.5° |
| C97 | C96 | H142 | 109.0° | 109.4° |
| C96 | C97 | N23 | 111.9° | 109.5° |
| C96 | C97 | H143 | 108.9° | 109.5° |
| C96 | C97 | H144 | 108.9° | 109.4° |
| H141 | C96 | H142 | 109.5° | 109.4° |
| N23 | C97 | H143 | 108.8° | 109.5° |
| N23 | C97 | H144 | 108.8° | 109.4° |
| C97 | N23 | H145 | 109.5° | 109.4° |
| C97 | N23 | H146 | 109.5° | 109.5° |
| C97 | N23 | H147 | 109.5° | 109.4° |
| H143 | C97 | H144 | 109.5° | 109.5° |
| H145 | N23 | H146 | 109.5° | 109.5° |
| H145 | N23 | H147 | 109.5° | 109.5° |
| H146 | N23 | H147 | 109.5° | 109.5° |
| C98 | N24 | H148 | 120.1° | 120.0° |
| N24 | C98 | C99 | 112.2° | 109.5° |
| N24 | C98 | C100 | 114.2° | 109.5° |
| N24 | C98 | H149 | 108.1° | 109.5° |
| C98 | N24 | C93 | 119.7° | 120.0° |
| H148 | N24 | C93 | 120.2° | 120.0° |
| C99 | C98 | C100 | 106.7° | 109.5° |
| C99 | C98 | H149 | 107.7° | 109.5° |
| C98 | C99 | O21 | 120.4° | 120.0° |
| C98 | C99 | O22 | 119.7° | 120.0° |
| C100 | C98 | H149 | 107.6° | 109.4° |
| C98 | C100 | C101 | 118.8° | 109.5° |
| C98 | C100 | H150 | 107.1° | 109.5° |
| C98 | C100 | H151 | 107.1° | 109.5° |
| O21 | C99 | O22 | 119.8° | 120.0° |
| C99 | O22 | H161 | 109.5° | 117.0° |
| C101 | C100 | H150 | 107.1° | 109.5° |
| C101 | C100 | H151 | 107.1° | 109.5° |
| C100 | C101 | C102 | 117.7° | 109.5° |
| C100 | C101 | H152 | 107.4° | 109.5° |
| C100 | C101 | H153 | 107.4° | 109.5° |
| H150 | C100 | H151 | 109.5° | 109.4° |
| C102 | C101 | H152 | 107.4° | 109.5° |
| C102 | C101 | H153 | 107.4° | 109.5° |
| C101 | C102 | C103 | 118.2° | 109.5° |
| C101 | C102 | H154 | 107.3° | 109.5° |
| C101 | C102 | H155 | 107.2° | 109.5° |
| H152 | C101 | H153 | 109.5° | 109.4° |
| C103 | C102 | H154 | 107.3° | 109.5° |
| C103 | C102 | H155 | 107.3° | 109.5° |
| C102 | C103 | N25 | 117.5° | 109.5° |
| C102 | C103 | H156 | 107.4° | 109.5° |
| C102 | C103 | H157 | 107.4° | 109.5° |
| H154 | C102 | H155 | 109.4° | 109.4° |
| N25 | C103 | H156 | 107.4° | 109.5° |
| N25 | C103 | H157 | 107.4° | 109.5° |
| C103 | N25 | H158 | 109.5° | 109.5° |
| C103 | N25 | H159 | 109.5° | 109.5° |
| C103 | N25 | H160 | 109.5° | 109.5° |
| H156 | C103 | H157 | 109.4° | 109.4° |
| H158 | N25 | H159 | 109.5° | 109.5° |
| H158 | N25 | H160 | 109.5° | 109.4° |
| H159 | N25 | H160 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 170.4° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 24.3° | 0.0° |
| O1 | C1 | N1 | H4 | 155.7° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 119.9° |
| C1 | C2 | H2 | H3 | 120.0° | 119.9° |
| C2 | C1 | N1 | C3 | 167.3° | 179.7° |
| C2 | C1 | N1 | H4 | 12.7° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.1° |
| H1 | C2 | C1 | N1 | 170.4° | 179.7° |
| H2 | C2 | C1 | N1 | 50.4° | 59.7° |
| H3 | C2 | C1 | N1 | 69.6° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 124.1° | 120.0° |
| N1 | C3 | C4 | H5 | 118.9° | 120.0° |
| N1 | C3 | C5 | H5 | 117.9° | 120.0° |
| N1 | C3 | C4 | O2 | 72.9° | 20.0° |
| N1 | C3 | C5 | C6 | 174.3° | 65.0° |
| N1 | C3 | C5 | H6 | 53.8° | 55.0° |
| N1 | C3 | C5 | H7 | 65.2° | 175.0° |
| N1 | C3 | C4 | N3 | 107.0° | 160.0° |
| H4 | N1 | C3 | C4 | 89.4° | 120.0° |
| H4 | N1 | C3 | C5 | 34.8° | 120.0° |
| H4 | N1 | C3 | H5 | 152.2° | 0.0° |
| C4 | C3 | C5 | H5 | 117.0° | 120.0° |
| C3 | C4 | O2 | N3 | 179.9° | 180.0° |
| C4 | C3 | C5 | C6 | 60.6° | 175.0° |
| C4 | C3 | C5 | H6 | 178.9° | 65.0° |
| C4 | C3 | C5 | H7 | 59.9° | 55.1° |
| C3 | C4 | N3 | C7 | 177.6° | 180.0° |
| C3 | C4 | N3 | H10 | 2.4° | 0.1° |
| C4 | C3 | N1 | C1 | 90.6° | 60.0° |
| C5 | C3 | C4 | O2 | 51.2° | 100.0° |
| C3 | C5 | C6 | H6 | 120.5° | 120.0° |
| C3 | C5 | C6 | H7 | 120.5° | 120.0° |
| C3 | C5 | H6 | H7 | 118.5° | 120.0° |
| C3 | C5 | C6 | O3 | 18.6° | 0.1° |
| C3 | C5 | C6 | N2 | 161.5° | 180.0° |
| C5 | C3 | N1 | C1 | 145.2° | 60.0° |
| C5 | C3 | C4 | N3 | 128.9° | 80.0° |
| H5 | C3 | C4 | O2 | 168.2° | 140.0° |
| H5 | C3 | C5 | C6 | 56.4° | 55.0° |
| H5 | C3 | C5 | H6 | 64.1° | 175.0° |
| H5 | C3 | C5 | H7 | 176.9° | 65.0° |
| H5 | C3 | N1 | C1 | 27.8° | 180.0° |
| H5 | C3 | C4 | N3 | 11.9° | 40.0° |
| O2 | C4 | N3 | C7 | 2.3° | 0.0° |
| O2 | C4 | N3 | H10 | 177.7° | 180.0° |
| C6 | C5 | H6 | H7 | 118.5° | 120.0° |
| C5 | C6 | O3 | N2 | 180.0° | 179.9° |
| C5 | C6 | N2 | H8 | 179.9° | 0.0° |
| C5 | C6 | N2 | H9 | 0.0° | 180.0° |
| H6 | C5 | C6 | O3 | 101.9° | 120.0° |
| H6 | C5 | C6 | N2 | 78.0° | 60.0° |
| H7 | C5 | C6 | O3 | 139.0° | 120.0° |
| H7 | C5 | C6 | N2 | 41.0° | 60.1° |
| O3 | C6 | N2 | H8 | 0.0° | 179.9° |
| O3 | C6 | N2 | H9 | 180.0° | 0.1° |
| C6 | N2 | H8 | H9 | 180.0° | 180.0° |
| C7 | N3 | H10 | C4 | 180.0° | 179.9° |
| N3 | C7 | C8 | C9 | 122.5° | 120.0° |
| N3 | C7 | C8 | H11 | 120.0° | 119.9° |
| N3 | C7 | C9 | H11 | 118.1° | 119.9° |
| N3 | C7 | C8 | O4 | 143.7° | 0.0° |
| N3 | C7 | C9 | C10 | 175.7° | 65.0° |
| N3 | C7 | C9 | H12 | 55.0° | 55.0° |
| N3 | C7 | C9 | H13 | 63.5° | 175.0° |
| N3 | C7 | C8 | N5 | 35.6° | 180.0° |
| H10 | N3 | C7 | C8 | 132.5° | 25.1° |
| H10 | N3 | C7 | C9 | 9.4° | 95.0° |
| H10 | N3 | C7 | H11 | 108.1° | 145.1° |
| C8 | C7 | C9 | H11 | 117.6° | 120.0° |
| C7 | C8 | O4 | N5 | 179.2° | 180.0° |
| C8 | C7 | C9 | C10 | 60.0° | 175.0° |
| C8 | C7 | C9 | H12 | 179.3° | 65.0° |
| C8 | C7 | C9 | H13 | 60.8° | 55.0° |
| C7 | C8 | N5 | C18 | 174.9° | 180.0° |
| C7 | C8 | N5 | H20 | 5.1° | 0.0° |
| C8 | C7 | N3 | C4 | 47.5° | 155.0° |
| C9 | C7 | C8 | O4 | 93.8° | 120.0° |
| C7 | C9 | C10 | H12 | 120.7° | 120.0° |
| C7 | C9 | C10 | H13 | 120.8° | 120.0° |
| C7 | C9 | H12 | H13 | 117.7° | 120.0° |
| C7 | C9 | C10 | C11 | 85.3° | 95.0° |
| C7 | C9 | C10 | C12 | 95.4° | 84.8° |
| C9 | C7 | N3 | C4 | 170.5° | 85.0° |
| C9 | C7 | C8 | N5 | 87.0° | 60.0° |
| H11 | C7 | C8 | O4 | 23.7° | 120.0° |
| H11 | C7 | C9 | C10 | 57.6° | 55.0° |
| H11 | C7 | C9 | H12 | 63.2° | 174.9° |
| H11 | C7 | C9 | H13 | 178.3° | 65.0° |
| H11 | C7 | N3 | C4 | 71.9° | 35.0° |
| H11 | C7 | C8 | N5 | 155.5° | 60.1° |
| O4 | C8 | N5 | C18 | 5.9° | 0.0° |
| O4 | C8 | N5 | H20 | 174.1° | 180.0° |
| C10 | C9 | H12 | H13 | 117.7° | 120.0° |
| C9 | C10 | C11 | C12 | 179.4° | 179.8° |
| C9 | C10 | C11 | N4 | 179.7° | 180.0° |
| C9 | C10 | C11 | H14 | 0.3° | 0.1° |
| C9 | C10 | C12 | C13 | 179.7° | 180.0° |
| C9 | C10 | C12 | C14 | 0.4° | 0.1° |
| H12 | C9 | C10 | C11 | 35.5° | 145.0° |
| H12 | C9 | C10 | C12 | 143.8° | 35.2° |
| H13 | C9 | C10 | C11 | 154.0° | 25.0° |
| H13 | C9 | C10 | C12 | 25.3° | 155.2° |
| C10 | C11 | N4 | H14 | 180.0° | 179.9° |
| C11 | C10 | C12 | C13 | 0.3° | 0.2° |
| C11 | C10 | C12 | C14 | 179.9° | 179.7° |
| C10 | C11 | N4 | C13 | 0.2° | 0.2° |
| C10 | C11 | N4 | H15 | 179.8° | 180.0° |
| C12 | C10 | C11 | N4 | 0.3° | 0.2° |
| C12 | C10 | C11 | H14 | 179.7° | 179.9° |
| C10 | C12 | C13 | C14 | 179.9° | 179.9° |
| C10 | C12 | C13 | N4 | 0.2° | 0.1° |
| C10 | C12 | C13 | C15 | 179.8° | 180.0° |
| C10 | C12 | C14 | C16 | 179.8° | 180.0° |
| C10 | C12 | C14 | H16 | 0.2° | 0.0° |
| C11 | N4 | C13 | C12 | 0.0° | 0.0° |
| C11 | N4 | C13 | H15 | 180.0° | 179.8° |
| C11 | N4 | C13 | C15 | 180.0° | 179.8° |
| H14 | C11 | N4 | C13 | 179.8° | 179.9° |
| H14 | C11 | N4 | H15 | 0.2° | 0.1° |
| C12 | C13 | N4 | C15 | 180.0° | 179.8° |
| C12 | C13 | N4 | H15 | 180.0° | 179.8° |
| C13 | C12 | C14 | C16 | 0.0° | 0.1° |
| C13 | C12 | C14 | H16 | 179.9° | 180.0° |
| C12 | C13 | C15 | C17 | 0.0° | 0.0° |
| C12 | C13 | C15 | H17 | 180.0° | 180.0° |
| C14 | C12 | C13 | N4 | 179.9° | 179.8° |
| C14 | C12 | C13 | C15 | 0.0° | 0.0° |
| C12 | C14 | C16 | H16 | 180.0° | 180.0° |
| C12 | C14 | C16 | C17 | 0.0° | 0.1° |
| C12 | C14 | C16 | H18 | 179.9° | 180.0° |
| N4 | C13 | C15 | C17 | 179.9° | 179.8° |
| N4 | C13 | C15 | H17 | 0.0° | 0.2° |
| H15 | N4 | C13 | C15 | 0.0° | 0.0° |
| C13 | C15 | C17 | H17 | 180.0° | 180.0° |
| C13 | C15 | C17 | C16 | 0.0° | 0.1° |
| C13 | C15 | C17 | H19 | 180.0° | 180.0° |
| C14 | C16 | C17 | C15 | 0.0° | 0.1° |
| C14 | C16 | C17 | H18 | 180.0° | 179.9° |
| C14 | C16 | C17 | H19 | 180.0° | 180.0° |
| H16 | C14 | C16 | C17 | 180.0° | 179.9° |
| H16 | C14 | C16 | H18 | 0.1° | 0.0° |
| C15 | C17 | C16 | H19 | 180.0° | 179.9° |
| C15 | C17 | C16 | H18 | 179.9° | 180.0° |
| H17 | C15 | C17 | C16 | 180.0° | 179.9° |
| H17 | C15 | C17 | H19 | 0.0° | 0.0° |
| H18 | C16 | C17 | H19 | 0.0° | 0.1° |
| C18 | N5 | H20 | C8 | 180.0° | 180.0° |
| N5 | C18 | C19 | C20 | 124.5° | 120.0° |
| N5 | C18 | C19 | H21 | 119.2° | 120.0° |
| N5 | C18 | C20 | H21 | 117.2° | 120.0° |
| N5 | C18 | C19 | O5 | 168.3° | 0.0° |
| N5 | C18 | C20 | C21 | 74.1° | 65.0° |
| N5 | C18 | C20 | H22 | 46.5° | 55.0° |
| N5 | C18 | C20 | H23 | 165.4° | 175.0° |
| N5 | C18 | C19 | N6 | 10.9° | 180.0° |
| H20 | N5 | C18 | C19 | 110.2° | 25.0° |
| H20 | N5 | C18 | C20 | 14.4° | 95.0° |
| H20 | N5 | C18 | H21 | 131.1° | 145.0° |
| C19 | C18 | C20 | H21 | 116.4° | 120.0° |
| C18 | C19 | O5 | N6 | 179.2° | 179.9° |
| C19 | C18 | C20 | C21 | 159.5° | 175.0° |
| C19 | C18 | C20 | H22 | 79.9° | 65.0° |
| C19 | C18 | C20 | H23 | 39.0° | 55.0° |
| C18 | C19 | N6 | C27 | 178.6° | 175.0° |
| C18 | C19 | N6 | H29 | 1.5° | 5.1° |
| C19 | C18 | N5 | C8 | 69.8° | 155.0° |
| C20 | C18 | C19 | O5 | 67.2° | 120.1° |
| C18 | C20 | C21 | H22 | 120.6° | 120.0° |
| C18 | C20 | C21 | H23 | 120.5° | 120.0° |
| C18 | C20 | H22 | H23 | 118.2° | 120.0° |
| C18 | C20 | C21 | C22 | 89.3° | 90.0° |
| C18 | C20 | C21 | C23 | 89.3° | 90.3° |
| C20 | C18 | N5 | C8 | 165.5° | 85.0° |
| C20 | C18 | C19 | N6 | 113.5° | 60.0° |
| H21 | C18 | C19 | O5 | 49.2° | 120.0° |
| H21 | C18 | C20 | C21 | 43.1° | 55.0° |
| H21 | C18 | C20 | H22 | 163.7° | 175.0° |
| H21 | C18 | C20 | H23 | 77.4° | 65.0° |
| H21 | C18 | N5 | C8 | 48.9° | 35.0° |
| H21 | C18 | C19 | N6 | 130.1° | 60.0° |
| O5 | C19 | N6 | C27 | 2.2° | 5.1° |
| O5 | C19 | N6 | H29 | 177.8° | 174.9° |
| C21 | C20 | H22 | H23 | 118.3° | 120.0° |
| C20 | C21 | C22 | C23 | 178.6° | 179.8° |
| C20 | C21 | C22 | C24 | 179.3° | 180.0° |
| C20 | C21 | C22 | H24 | 0.8° | 0.0° |
| C20 | C21 | C23 | C25 | 179.3° | 180.0° |
| C20 | C21 | C23 | H25 | 0.7° | 0.1° |
| H22 | C20 | C21 | C22 | 150.2° | 30.0° |
| H22 | C20 | C21 | C23 | 31.3° | 149.7° |
| H23 | C20 | C21 | C22 | 31.3° | 150.0° |
| H23 | C20 | C21 | C23 | 150.2° | 29.7° |
| C21 | C22 | C24 | H24 | 180.0° | 180.0° |
| C22 | C21 | C23 | C25 | 0.7° | 0.2° |
| C22 | C21 | C23 | H25 | 179.3° | 179.7° |
| C21 | C22 | C24 | C26 | 0.3° | 0.0° |
| C21 | C22 | C24 | H26 | 179.7° | 179.9° |
| C23 | C21 | C22 | C24 | 0.7° | 0.2° |
| C23 | C21 | C22 | H24 | 179.3° | 179.8° |
| C21 | C23 | C25 | H25 | 180.0° | 179.9° |
| C21 | C23 | C25 | C26 | 0.5° | 0.0° |
| C21 | C23 | C25 | H27 | 179.5° | 180.0° |
| C22 | C24 | C26 | H26 | 180.0° | 179.9° |
| C22 | C24 | C26 | C25 | 0.0° | 0.2° |
| C22 | C24 | C26 | H28 | 180.0° | 179.9° |
| H24 | C22 | C24 | C26 | 179.7° | 180.0° |
| H24 | C22 | C24 | H26 | 0.3° | 0.1° |
| C23 | C25 | C26 | C24 | 0.1° | 0.2° |
| C23 | C25 | C26 | H27 | 180.0° | 180.0° |
| C23 | C25 | C26 | H28 | 179.9° | 179.9° |
| H25 | C23 | C25 | C26 | 179.5° | 179.9° |
| H25 | C23 | C25 | H27 | 0.5° | 0.1° |
| C24 | C26 | C25 | H28 | 180.0° | 179.8° |
| C24 | C26 | C25 | H27 | 179.9° | 179.7° |
| H26 | C24 | C26 | C25 | 180.0° | 179.8° |
| H26 | C24 | C26 | H28 | 0.0° | 0.0° |
| H27 | C25 | C26 | H28 | 0.1° | 0.1° |
| C27 | N6 | H29 | C19 | 180.0° | 180.0° |
| N6 | C27 | C28 | C29 | 123.8° | 120.0° |
| N6 | C27 | C28 | H30 | 119.7° | 120.0° |
| N6 | C27 | C29 | H30 | 118.0° | 120.0° |
| N6 | C27 | C28 | O6 | 144.1° | 0.0° |
| N6 | C27 | C29 | C30 | 71.0° | 62.7° |
| N6 | C27 | C29 | H31 | 49.5° | 57.3° |
| N6 | C27 | C29 | H32 | 168.5° | 177.2° |
| N6 | C27 | C28 | N8 | 35.5° | 180.0° |
| H29 | N6 | C27 | C28 | 89.8° | 99.2° |
| H29 | N6 | C27 | C29 | 33.6° | 20.8° |
| H29 | N6 | C27 | H30 | 151.0° | 140.8° |
| C28 | C27 | C29 | H30 | 116.6° | 120.0° |
| C27 | C28 | O6 | N8 | 179.6° | 180.0° |
| C28 | C27 | C29 | C30 | 163.6° | 177.2° |
| C28 | C27 | C29 | H31 | 75.9° | 62.7° |
| C28 | C27 | C29 | H32 | 43.1° | 57.2° |
| C27 | C28 | N8 | C31 | 173.7° | 175.2° |
| C27 | C28 | N8 | H35 | 6.3° | 4.8° |
| C28 | C27 | N6 | C19 | 90.2° | 80.8° |
| C29 | C27 | C28 | O6 | 92.2° | 120.0° |
| C27 | C29 | C30 | H31 | 120.5° | 120.0° |
| C27 | C29 | C30 | H32 | 120.5° | 120.1° |
| C27 | C29 | H31 | H32 | 118.5° | 120.0° |
| C27 | C29 | C30 | O7 | 123.9° | 4.7° |
| C27 | C29 | C30 | N7 | 56.3° | 175.2° |
| C29 | C27 | N6 | C19 | 146.5° | 159.1° |
| C29 | C27 | C28 | N8 | 88.3° | 60.0° |
| H30 | C27 | C28 | O6 | 24.4° | 120.0° |
| H30 | C27 | C29 | C30 | 47.0° | 57.2° |
| H30 | C27 | C29 | H31 | 167.5° | 177.3° |
| H30 | C27 | C29 | H32 | 73.5° | 62.8° |
| H30 | C27 | N6 | C19 | 29.0° | 39.2° |
| H30 | C27 | C28 | N8 | 155.2° | 60.0° |
| O6 | C28 | N8 | C31 | 6.7° | 4.8° |
| O6 | C28 | N8 | H35 | 173.2° | 175.2° |
| C30 | C29 | H31 | H32 | 118.6° | 120.0° |
| C29 | C30 | O7 | N7 | 179.7° | 179.9° |
| C29 | C30 | N7 | H33 | 179.7° | 0.1° |
| C29 | C30 | N7 | H34 | 0.3° | 180.0° |
| H31 | C29 | C30 | O7 | 3.5° | 115.3° |
| H31 | C29 | C30 | N7 | 176.8° | 64.8° |
| H32 | C29 | C30 | O7 | 115.6° | 124.8° |
| H32 | C29 | C30 | N7 | 64.1° | 55.1° |
| O7 | C30 | N7 | H33 | 0.0° | 180.0° |
| O7 | C30 | N7 | H34 | 180.0° | 0.1° |
| C30 | N7 | H33 | H34 | 180.0° | 179.9° |
| C31 | N8 | H35 | C28 | 180.0° | 180.0° |
| N8 | C31 | C32 | C33 | 125.5° | 120.0° |
| N8 | C31 | C32 | H36 | 119.7° | 120.0° |
| N8 | C31 | C33 | H36 | 117.1° | 120.0° |
| N8 | C31 | C32 | O8 | 130.9° | 1.3° |
| N8 | C31 | C33 | C34 | 55.3° | 52.6° |
| N8 | C31 | C33 | C35 | 178.2° | 67.4° |
| N8 | C31 | C33 | H37 | 63.2° | 172.6° |
| N8 | C31 | C32 | N9 | 49.2° | 178.7° |
| H35 | N8 | C31 | C32 | 144.0° | 31.9° |
| H35 | N8 | C31 | C33 | 19.9° | 88.1° |
| H35 | N8 | C31 | H36 | 96.7° | 151.9° |
| C32 | C31 | C33 | H36 | 114.9° | 120.0° |
| C31 | C32 | O8 | N9 | 179.9° | 180.0° |
| C32 | C31 | C33 | C34 | 176.7° | 67.4° |
| C32 | C31 | C33 | C35 | 53.8° | 172.5° |
| C32 | C31 | C33 | H37 | 64.8° | 52.5° |
| C31 | C32 | N9 | C37 | 178.1° | 174.9° |
| C31 | C32 | N9 | H46 | 1.9° | 5.2° |
| C32 | C31 | N8 | C28 | 36.0° | 148.1° |
| C33 | C31 | C32 | O8 | 103.6° | 121.3° |
| C31 | C33 | C34 | C35 | 122.4° | 120.1° |
| C31 | C33 | C34 | H37 | 118.5° | 120.0° |
| C31 | C33 | C35 | H37 | 118.5° | 120.0° |
| C31 | C33 | C34 | C36 | 179.7° | 70.7° |
| C31 | C33 | C34 | H38 | 59.1° | 169.3° |
| C31 | C33 | C34 | H39 | 59.7° | 49.3° |
| C31 | C33 | C35 | H40 | 180.0° | 65.2° |
| C31 | C33 | C35 | H41 | 60.0° | 174.9° |
| C31 | C33 | C35 | H42 | 60.0° | 54.8° |
| C33 | C31 | N8 | C28 | 160.1° | 91.9° |
| C33 | C31 | C32 | N9 | 76.3° | 58.7° |
| H36 | C31 | C32 | O8 | 11.2° | 118.7° |
| H36 | C31 | C33 | C34 | 61.8° | 172.6° |
| H36 | C31 | C33 | C35 | 61.1° | 52.5° |
| H36 | C31 | C33 | H37 | 179.7° | 67.5° |
| H36 | C31 | N8 | C28 | 83.3° | 28.1° |
| H36 | C31 | C32 | N9 | 168.9° | 61.3° |
| O8 | C32 | N9 | C37 | 1.8° | 5.1° |
| O8 | C32 | N9 | H46 | 178.2° | 174.8° |
| C34 | C33 | C35 | H37 | 119.1° | 119.9° |
| C33 | C34 | C36 | H38 | 120.6° | 120.0° |
| C33 | C34 | C36 | H39 | 120.6° | 120.0° |
| C33 | C34 | H38 | H39 | 118.2° | 120.0° |
| C34 | C33 | C35 | H40 | 57.5° | 54.9° |
| C34 | C33 | C35 | H41 | 177.5° | 65.1° |
| C34 | C33 | C35 | H42 | 62.5° | 174.8° |
| C33 | C34 | C36 | H43 | 180.0° | 70.7° |
| C33 | C34 | C36 | H44 | 60.0° | 49.3° |
| C33 | C34 | C36 | H45 | 60.0° | 169.3° |
| C35 | C33 | C34 | C36 | 57.3° | 169.2° |
| C35 | C33 | C34 | H38 | 63.3° | 49.2° |
| C35 | C33 | C34 | H39 | 177.9° | 70.8° |
| C33 | C35 | H40 | H41 | 120.0° | 120.0° |
| C33 | C35 | H40 | H42 | 120.0° | 120.0° |
| C33 | C35 | H41 | H42 | 120.0° | 120.0° |
| H37 | C33 | C34 | C36 | 61.8° | 49.3° |
| H37 | C33 | C34 | H38 | 177.6° | 70.7° |
| H37 | C33 | C34 | H39 | 58.8° | 169.3° |
| H37 | C33 | C35 | H40 | 61.5° | 174.8° |
| H37 | C33 | C35 | H41 | 58.5° | 54.8° |
| H37 | C33 | C35 | H42 | 178.4° | 65.3° |
| C36 | C34 | H38 | H39 | 118.1° | 120.0° |
| C34 | C36 | H43 | H44 | 120.0° | 120.0° |
| C34 | C36 | H43 | H45 | 120.0° | 120.1° |
| C34 | C36 | H44 | H45 | 120.0° | 120.1° |
| H38 | C34 | C36 | H43 | 59.4° | 169.3° |
| H38 | C34 | C36 | H44 | 179.4° | 70.7° |
| H38 | C34 | C36 | H45 | 60.6° | 49.3° |
| H39 | C34 | C36 | H43 | 59.4° | 49.3° |
| H39 | C34 | C36 | H44 | 60.6° | 169.3° |
| H39 | C34 | C36 | H45 | 179.4° | 70.7° |
| H40 | C35 | H41 | H42 | 120.0° | 120.0° |
| H43 | C36 | H44 | H45 | 120.0° | 119.9° |
| C37 | N9 | H46 | C32 | 180.0° | 179.9° |
| N9 | C37 | C38 | C39 | 124.9° | 119.9° |
| N9 | C37 | C38 | H47 | 118.7° | 120.0° |
| N9 | C37 | C39 | H47 | 118.7° | 120.0° |
| N9 | C37 | C38 | O9 | 161.3° | 9.7° |
| N9 | C37 | C39 | O10 | 37.0° | 62.0° |
| N9 | C37 | C39 | C40 | 83.0° | 178.1° |
| N9 | C37 | C39 | H48 | 157.4° | 58.0° |
| N9 | C37 | C38 | N10 | 19.0° | 170.4° |
| H46 | N9 | C37 | C38 | 124.0° | 25.0° |
| H46 | N9 | C37 | C39 | 0.5° | 95.0° |
| H46 | N9 | C37 | H47 | 117.7° | 144.9° |
| C38 | C37 | C39 | H47 | 116.5° | 120.0° |
| C37 | C38 | O9 | N10 | 179.6° | 180.0° |
| C38 | C37 | C39 | O10 | 87.7° | 178.1° |
| C38 | C37 | C39 | C40 | 152.2° | 58.2° |
| C38 | C37 | C39 | H48 | 32.7° | 61.9° |
| C37 | C38 | N10 | C41 | 175.9° | 176.1° |
| C37 | C38 | N10 | H53 | 4.1° | 3.8° |
| C38 | C37 | N9 | C32 | 56.0° | 155.0° |
| C39 | C37 | C38 | O9 | 73.8° | 110.3° |
| C37 | C39 | O10 | C40 | 121.0° | 119.9° |
| C37 | C39 | O10 | H48 | 119.5° | 120.0° |
| C37 | C39 | C40 | H48 | 119.4° | 120.0° |
| C37 | C39 | O10 | H49 | 180.0° | 60.1° |
| C37 | C39 | C40 | H50 | 180.0° | 50.7° |
| C37 | C39 | C40 | H51 | 60.0° | 170.7° |
| C37 | C39 | C40 | H52 | 60.0° | 69.3° |
| C39 | C37 | N9 | C32 | 179.5° | 85.1° |
| C39 | C37 | C38 | N10 | 105.9° | 69.7° |
| H47 | C37 | C38 | O9 | 42.6° | 129.7° |
| H47 | C37 | C39 | O10 | 155.8° | 58.1° |
| H47 | C37 | C39 | C40 | 35.7° | 61.9° |
| H47 | C37 | C39 | H48 | 83.8° | 178.1° |
| H47 | C37 | N9 | C32 | 62.3° | 35.0° |
| H47 | C37 | C38 | N10 | 137.8° | 50.4° |
| O9 | C38 | N10 | C41 | 4.4° | 3.8° |
| O9 | C38 | N10 | H53 | 175.6° | 176.2° |
| O10 | C39 | C40 | H48 | 120.3° | 120.1° |
| O10 | C39 | C40 | H50 | 59.7° | 69.2° |
| O10 | C39 | C40 | H51 | 179.7° | 50.8° |
| O10 | C39 | C40 | H52 | 60.3° | 170.8° |
| C40 | C39 | O10 | H49 | 59.0° | 180.0° |
| C39 | C40 | H50 | H51 | 120.0° | 120.0° |
| C39 | C40 | H50 | H52 | 120.0° | 120.0° |
| C39 | C40 | H51 | H52 | 120.0° | 120.0° |
| H48 | C39 | O10 | H49 | 60.5° | 59.9° |
| H48 | C39 | C40 | H50 | 60.6° | 170.7° |
| H48 | C39 | C40 | H51 | 59.4° | 69.3° |
| H48 | C39 | C40 | H52 | 179.4° | 50.7° |
| H50 | C40 | H51 | H52 | 120.0° | 120.0° |
| C41 | N10 | H53 | C38 | 180.0° | 180.0° |
| N10 | C41 | C42 | C43 | 122.4° | 120.0° |
| N10 | C41 | C42 | H54 | 119.4° | 119.9° |
| N10 | C41 | C43 | H54 | 119.5° | 120.0° |
| N10 | C41 | C42 | O11 | 135.3° | 1.6° |
| N10 | C41 | C43 | C44 | 163.5° | 63.6° |
| N10 | C41 | C43 | H55 | 43.0° | 56.4° |
| N10 | C41 | C43 | H56 | 76.1° | 176.4° |
| N10 | C41 | C42 | N12 | 44.9° | 178.4° |
| H53 | N10 | C41 | C42 | 101.8° | 99.3° |
| H53 | N10 | C41 | C43 | 20.4° | 20.7° |
| H53 | N10 | C41 | H54 | 139.3° | 140.7° |
| C42 | C41 | C43 | H54 | 118.2° | 120.0° |
| C41 | C42 | O11 | N12 | 179.8° | 180.0° |
| C42 | C41 | C43 | C44 | 74.2° | 176.3° |
| C42 | C41 | C43 | H55 | 165.3° | 63.6° |
| C42 | C41 | C43 | H56 | 46.2° | 56.3° |
| C41 | C42 | N12 | C45 | 174.4° | 174.8° |
| C41 | C42 | N12 | H59 | 5.6° | 5.1° |
| C42 | C41 | N10 | C38 | 78.2° | 80.7° |
| C43 | C41 | C42 | O11 | 102.3° | 121.6° |
| C41 | C43 | C44 | H55 | 120.4° | 120.0° |
| C41 | C43 | C44 | H56 | 120.5° | 120.0° |
| C41 | C43 | H55 | H56 | 118.6° | 120.0° |
| C41 | C43 | C44 | O12 | 107.4° | 5.2° |
| C41 | C43 | C44 | N11 | 71.7° | 174.8° |
| C43 | C41 | N10 | C38 | 159.6° | 159.3° |
| C43 | C41 | C42 | N12 | 77.5° | 58.3° |
| H54 | C41 | C42 | O11 | 15.9° | 118.4° |
| H54 | C41 | C43 | C44 | 44.0° | 56.3° |
| H54 | C41 | C43 | H55 | 76.5° | 176.3° |
| H54 | C41 | C43 | H56 | 164.4° | 63.7° |
| H54 | C41 | N10 | C38 | 40.7° | 39.3° |
| H54 | C41 | C42 | N12 | 164.3° | 61.7° |
| O11 | C42 | N12 | C45 | 5.8° | 5.2° |
| O11 | C42 | N12 | H59 | 174.3° | 174.8° |
| C44 | C43 | H55 | H56 | 118.6° | 120.0° |
| C43 | C44 | O12 | N11 | 179.0° | 180.0° |
| C43 | C44 | N11 | H57 | 179.1° | 0.0° |
| C43 | C44 | N11 | H58 | 0.9° | 179.9° |
| H55 | C43 | C44 | O12 | 132.2° | 125.2° |
| H55 | C43 | C44 | N11 | 48.7° | 54.8° |
| H56 | C43 | C44 | O12 | 13.1° | 114.8° |
| H56 | C43 | C44 | N11 | 167.8° | 65.2° |
| O12 | C44 | N11 | H57 | 0.0° | 180.0° |
| O12 | C44 | N11 | H58 | 180.0° | 0.0° |
| C44 | N11 | H57 | H58 | 180.0° | 180.0° |
| C45 | N12 | H59 | C42 | 180.0° | 180.0° |
| N12 | C45 | C46 | C48 | 117.0° | 120.0° |
| N12 | C45 | C46 | C49 | 123.2° | 119.9° |
| N12 | C45 | C48 | C49 | 113.4° | 120.0° |
| N12 | C45 | C46 | C47 | 123.9° | 38.9° |
| N12 | C45 | C46 | H60 | 1.9° | 81.0° |
| N12 | C45 | C46 | H61 | 114.2° | 159.0° |
| N12 | C45 | C48 | H63 | 180.0° | 60.0° |
| N12 | C45 | C48 | H64 | 60.0° | 180.0° |
| N12 | C45 | C48 | H65 | 60.0° | 60.0° |
| N12 | C45 | C49 | O13 | 122.5° | 111.5° |
| N12 | C45 | C49 | N13 | 57.4° | 68.5° |
| H59 | N12 | C45 | C46 | 98.2° | 116.0° |
| H59 | N12 | C45 | C48 | 18.7° | 124.0° |
| H59 | N12 | C45 | C49 | 132.4° | 4.0° |
| C46 | C45 | C48 | C49 | 126.8° | 120.0° |
| C45 | C46 | C47 | H60 | 122.0° | 120.0° |
| C45 | C46 | C47 | H61 | 121.9° | 120.0° |
| C45 | C46 | H60 | H61 | 113.5° | 120.0° |
| C45 | C46 | C47 | H62 | 43.5° | 56.7° |
| C46 | C45 | C48 | H63 | 60.2° | 180.0° |
| C46 | C45 | C48 | H64 | 59.8° | 60.0° |
| C46 | C45 | C48 | H65 | 179.8° | 60.0° |
| C46 | C45 | C49 | O13 | 3.3° | 8.4° |
| C46 | C45 | N12 | C42 | 81.9° | 64.0° |
| C45 | C46 | C47 | C71 | 136.5° | 123.3° |
| C46 | C45 | C49 | N13 | 176.8° | 171.5° |
| C48 | C45 | C46 | C47 | 119.1° | 159.0° |
| C48 | C45 | C46 | H60 | 118.9° | 39.0° |
| C48 | C45 | C46 | H61 | 2.8° | 81.0° |
| C45 | C48 | H63 | H64 | 120.0° | 120.0° |
| C45 | C48 | H63 | H65 | 120.0° | 120.1° |
| C45 | C48 | H64 | H65 | 120.0° | 120.0° |
| C48 | C45 | C49 | O13 | 123.4° | 128.5° |
| C48 | C45 | N12 | C42 | 161.3° | 56.0° |
| C48 | C45 | C49 | N13 | 56.7° | 51.5° |
| C49 | C45 | C46 | C47 | 0.7° | 81.0° |
| C49 | C45 | C46 | H60 | 121.2° | 159.1° |
| C49 | C45 | C46 | H61 | 122.7° | 39.0° |
| C49 | C45 | C48 | H63 | 66.6° | 60.0° |
| C49 | C45 | C48 | H64 | 173.4° | 60.0° |
| C49 | C45 | C48 | H65 | 53.4° | 180.0° |
| C45 | C49 | O13 | N13 | 179.9° | 180.0° |
| C45 | C49 | N13 | C50 | 179.9° | 179.9° |
| C45 | C49 | N13 | H66 | 0.1° | 0.1° |
| C49 | C45 | N12 | C42 | 47.6° | 176.0° |
| C47 | C46 | H60 | H61 | 113.5° | 120.0° |
| C46 | C47 | H62 | C71 | 180.0° | 179.9° |
| C46 | C47 | C71 | C70 | 160.5° | 179.9° |
| C46 | C47 | C71 | H92 | 19.5° | 0.1° |
| H60 | C46 | C47 | H62 | 165.5° | 63.3° |
| H60 | C46 | C47 | C71 | 14.5° | 116.8° |
| H61 | C46 | C47 | H62 | 78.4° | 176.7° |
| H61 | C46 | C47 | C71 | 101.6° | 3.2° |
| H62 | C47 | C71 | C70 | 19.5° | 0.0° |
| H62 | C47 | C71 | H92 | 160.5° | 179.9° |
| H63 | C48 | H64 | H65 | 120.0° | 120.0° |
| O13 | C49 | N13 | C50 | 0.2° | 0.0° |
| O13 | C49 | N13 | H66 | 179.8° | 179.9° |
| C50 | N13 | H66 | C49 | 180.0° | 179.9° |
| N13 | C50 | C51 | C52 | 122.1° | 119.7° |
| N13 | C50 | C51 | H67 | 120.0° | 119.6° |
| N13 | C50 | C52 | H67 | 116.7° | 120.6° |
| N13 | C50 | C51 | O14 | 122.6° | 19.6° |
| N13 | C50 | C52 | C53 | 46.0° | 61.5° |
| N13 | C50 | C52 | H68 | 75.2° | 58.5° |
| N13 | C50 | C52 | H69 | 167.3° | 178.5° |
| N13 | C50 | C51 | N14 | 58.4° | 160.4° |
| H66 | N13 | C50 | C51 | 121.0° | 117.0° |
| H66 | N13 | C50 | C52 | 3.0° | 2.7° |
| H66 | N13 | C50 | H67 | 119.4° | 123.4° |
| C51 | C50 | C52 | H67 | 117.7° | 120.5° |
| C50 | C51 | O14 | N14 | 179.0° | 180.0° |
| C51 | C50 | C52 | C53 | 171.7° | 179.6° |
| C51 | C50 | C52 | H68 | 50.5° | 60.4° |
| C51 | C50 | C52 | H69 | 67.1° | 59.5° |
| C50 | C51 | N14 | C56 | 179.2° | 179.7° |
| C50 | C51 | N14 | H77 | 0.8° | 0.3° |
| C51 | C50 | N13 | C49 | 59.1° | 63.1° |
| C52 | C50 | C51 | O14 | 115.3° | 100.1° |
| C50 | C52 | C53 | H68 | 121.2° | 120.0° |
| C50 | C52 | C53 | H69 | 121.2° | 120.1° |
| C50 | C52 | H68 | H69 | 116.1° | 120.0° |
| C50 | C52 | C53 | C54 | 177.8° | 175.0° |
| C50 | C52 | C53 | C55 | 45.7° | 65.1° |
| C50 | C52 | C53 | H70 | 68.6° | 54.9° |
| C52 | C50 | N13 | C49 | 177.0° | 177.2° |
| C52 | C50 | C51 | N14 | 63.8° | 79.9° |
| H67 | C50 | C51 | O14 | 2.6° | 139.3° |
| H67 | C50 | C52 | C53 | 70.7° | 59.1° |
| H67 | C50 | C52 | H68 | 168.1° | 179.1° |
| H67 | C50 | C52 | H69 | 50.6° | 61.0° |
| H67 | C50 | N13 | C49 | 60.6° | 56.5° |
| H67 | C50 | C51 | N14 | 178.4° | 40.7° |
| O14 | C51 | N14 | C56 | 0.2° | 0.3° |
| O14 | C51 | N14 | H77 | 179.8° | 179.7° |
| C53 | C52 | H68 | H69 | 116.1° | 120.0° |
| C52 | C53 | C54 | C55 | 132.2° | 120.0° |
| C52 | C53 | C54 | H70 | 113.7° | 120.1° |
| C52 | C53 | C55 | H70 | 114.2° | 120.0° |
| C52 | C53 | C54 | H71 | 180.0° | 59.9° |
| C52 | C53 | C54 | H72 | 60.0° | 180.0° |
| C52 | C53 | C54 | H73 | 60.0° | 60.0° |
| C52 | C53 | C55 | H74 | 180.0° | 64.9° |
| C52 | C53 | C55 | H75 | 60.0° | 55.1° |
| C52 | C53 | C55 | H76 | 60.0° | 175.1° |
| H68 | C52 | C53 | C54 | 60.9° | 55.0° |
| H68 | C52 | C53 | C55 | 166.9° | 175.0° |
| H68 | C52 | C53 | H70 | 52.6° | 65.0° |
| H69 | C52 | C53 | C54 | 56.6° | 65.0° |
| H69 | C52 | C53 | C55 | 75.5° | 55.0° |
| H69 | C52 | C53 | H70 | 170.2° | 175.0° |
| C54 | C53 | C55 | H70 | 113.8° | 120.0° |
| C53 | C54 | H71 | H72 | 120.0° | 120.0° |
| C53 | C54 | H71 | H73 | 120.0° | 120.0° |
| C53 | C54 | H72 | H73 | 120.0° | 120.0° |
| C54 | C53 | C55 | H74 | 48.0° | 55.1° |
| C54 | C53 | C55 | H75 | 72.0° | 175.1° |
| C54 | C53 | C55 | H76 | 168.0° | 64.9° |
| C55 | C53 | C54 | H71 | 47.8° | 60.0° |
| C55 | C53 | C54 | H72 | 167.8° | 60.0° |
| C55 | C53 | C54 | H73 | 72.2° | 180.0° |
| C53 | C55 | H74 | H75 | 120.0° | 119.9° |
| C53 | C55 | H74 | H76 | 120.0° | 120.0° |
| C53 | C55 | H75 | H76 | 120.0° | 120.0° |
| H70 | C53 | C54 | H71 | 66.3° | 180.0° |
| H70 | C53 | C54 | H72 | 53.7° | 59.9° |
| H70 | C53 | C54 | H73 | 173.7° | 60.0° |
| H70 | C53 | C55 | H74 | 65.8° | 175.1° |
| H70 | C53 | C55 | H75 | 174.2° | 64.9° |
| H70 | C53 | C55 | H76 | 54.2° | 55.1° |
| H71 | C54 | H72 | H73 | 120.0° | 120.0° |
| H74 | C55 | H75 | H76 | 120.0° | 120.0° |
| C56 | N14 | H77 | C51 | 180.0° | 180.0° |
| N14 | C56 | C57 | C58 | 127.5° | 119.7° |
| N14 | C56 | C57 | H78 | 116.1° | 119.8° |
| N14 | C56 | C58 | H78 | 119.2° | 120.4° |
| N14 | C56 | C57 | O15 | 135.2° | 51.2° |
| N14 | C56 | C58 | C59 | 176.6° | 158.4° |
| N14 | C56 | C58 | H79 | 62.2° | 38.3° |
| N14 | C56 | C58 | H80 | 55.4° | 81.7° |
| N14 | C56 | C57 | N16 | 44.6° | 128.8° |
| H77 | N14 | C56 | C57 | 129.8° | 94.9° |
| H77 | N14 | C56 | C58 | 4.2° | 145.3° |
| H77 | N14 | C56 | H78 | 114.4° | 24.9° |
| C57 | C56 | C58 | H78 | 116.6° | 120.4° |
| C56 | C57 | O15 | N16 | 179.8° | 180.0° |
| C57 | C56 | C58 | C59 | 52.3° | 82.4° |
| C57 | C56 | C58 | H79 | 173.6° | 157.5° |
| C57 | C56 | C58 | H80 | 68.9° | 37.5° |
| C56 | C57 | N16 | H87 | 0.3° | 1.8° |
| C56 | C57 | N16 | C68 | 179.8° | 178.3° |
| C57 | C56 | N14 | C51 | 50.2° | 85.1° |
| C58 | C56 | C57 | O15 | 97.4° | 170.9° |
| C56 | C58 | C59 | H79 | 121.2° | 120.1° |
| C56 | C58 | C59 | H80 | 121.2° | 119.9° |
| C56 | C58 | H79 | H80 | 116.1° | 120.0° |
| C56 | C58 | C59 | C60 | 82.4° | 106.3° |
| C56 | C58 | C59 | C61 | 97.2° | 73.4° |
| C58 | C56 | N14 | C51 | 175.8° | 34.6° |
| C58 | C56 | C57 | N16 | 82.8° | 9.0° |
| H78 | C56 | C57 | O15 | 19.0° | 68.6° |
| H78 | C56 | C58 | C59 | 64.2° | 38.0° |
| H78 | C56 | C58 | H79 | 57.0° | 82.0° |
| H78 | C56 | C58 | H80 | 174.6° | 157.9° |
| H78 | C56 | N14 | C51 | 65.6° | 155.0° |
| H78 | C56 | C57 | N16 | 160.8° | 111.4° |
| O15 | C57 | N16 | H87 | 179.9° | 178.3° |
| O15 | C57 | N16 | C68 | 0.0° | 1.7° |
| C59 | C58 | H79 | H80 | 116.1° | 120.0° |
| C58 | C59 | C60 | C61 | 179.7° | 179.8° |
| C58 | C59 | C60 | N15 | 179.8° | 180.0° |
| C58 | C59 | C60 | H81 | 0.1° | 0.0° |
| C58 | C59 | C61 | C62 | 179.9° | 180.0° |
| C58 | C59 | C61 | C63 | 0.3° | 0.0° |
| H79 | C58 | C59 | C60 | 38.8° | 133.6° |
| H79 | C58 | C59 | C61 | 141.5° | 46.7° |
| H80 | C58 | C59 | C60 | 156.3° | 13.6° |
| H80 | C58 | C59 | C61 | 24.0° | 166.7° |
| C59 | C60 | N15 | H81 | 180.0° | 180.0° |
| C60 | C59 | C61 | C62 | 0.1° | 0.2° |
| C60 | C59 | C61 | C63 | 180.0° | 179.8° |
| C59 | C60 | N15 | C62 | 0.1° | 0.1° |
| C59 | C60 | N15 | H82 | 179.9° | 180.0° |
| C61 | C59 | C60 | N15 | 0.1° | 0.2° |
| C61 | C59 | C60 | H81 | 179.9° | 179.7° |
| C59 | C61 | C62 | C63 | 179.9° | 180.0° |
| C59 | C61 | C62 | N15 | 0.1° | 0.2° |
| C59 | C61 | C62 | C64 | 179.9° | 180.0° |
| C59 | C61 | C63 | C65 | 179.9° | 179.9° |
| C59 | C61 | C63 | H83 | 0.1° | 0.0° |
| C60 | N15 | C62 | C61 | 0.0° | 0.0° |
| C60 | N15 | C62 | H82 | 180.0° | 179.8° |
| C60 | N15 | C62 | C64 | 180.0° | 179.8° |
| H81 | C60 | N15 | C62 | 179.9° | 179.8° |
| H81 | C60 | N15 | H82 | 0.1° | 0.0° |
| C61 | C62 | N15 | C64 | 180.0° | 179.8° |
| C61 | C62 | N15 | H82 | 180.0° | 179.8° |
| C62 | C61 | C63 | C65 | 0.1° | 0.0° |
| C62 | C61 | C63 | H83 | 179.9° | 180.0° |
| C61 | C62 | C64 | C66 | 0.0° | 0.0° |
| C61 | C62 | C64 | H84 | 180.0° | 180.0° |
| C63 | C61 | C62 | N15 | 180.0° | 179.9° |
| C63 | C61 | C62 | C64 | 0.0° | 0.0° |
| C61 | C63 | C65 | H83 | 180.0° | 180.0° |
| C61 | C63 | C65 | C66 | 0.1° | 0.1° |
| C61 | C63 | C65 | H85 | 179.9° | 180.0° |
| N15 | C62 | C64 | C66 | 180.0° | 179.8° |
| N15 | C62 | C64 | H84 | 0.0° | 0.3° |
| H82 | N15 | C62 | C64 | 0.0° | 0.0° |
| C62 | C64 | C66 | H84 | 180.0° | 179.9° |
| C62 | C64 | C66 | C65 | 0.0° | 0.0° |
| C62 | C64 | C66 | H86 | 180.0° | 180.0° |
| C63 | C65 | C66 | C64 | 0.1° | 0.1° |
| C63 | C65 | C66 | H85 | 180.0° | 179.9° |
| C63 | C65 | C66 | H86 | 180.0° | 179.9° |
| H83 | C63 | C65 | C66 | 179.9° | 179.9° |
| H83 | C63 | C65 | H85 | 0.1° | 0.0° |
| C64 | C66 | C65 | H86 | 180.0° | 180.0° |
| C64 | C66 | C65 | H85 | 179.9° | 180.0° |
| H84 | C64 | C66 | C65 | 180.0° | 179.9° |
| H84 | C64 | C66 | H86 | 0.0° | 0.1° |
| H85 | C65 | C66 | H86 | 0.0° | 0.0° |
| C67 | C68 | N16 | H87 | 124.4° | 169.8° |
| C68 | C67 | O16 | N17 | 179.5° | 180.0° |
| C67 | C68 | N16 | C69 | 120.0° | 119.7° |
| C67 | C68 | N16 | C73 | 123.7° | 120.4° |
| C67 | C68 | C69 | C73 | 125.2° | 120.4° |
| C67 | C68 | C69 | H88 | 157.9° | 127.4° |
| C67 | C68 | C69 | H89 | 84.2° | 112.6° |
| C67 | C68 | C69 | C72 | 36.9° | 7.3° |
| C67 | C68 | C73 | H95 | 180.0° | 60.1° |
| C67 | C68 | C73 | H96 | 60.0° | 180.0° |
| C67 | C68 | C73 | H97 | 60.0° | 60.0° |
| C68 | C67 | N17 | C74 | 180.0° | 178.0° |
| C68 | C67 | N17 | H98 | 0.0° | 2.0° |
| C67 | C68 | N16 | C57 | 55.7° | 10.2° |
| H87 | N16 | C68 | C57 | 180.0° | 180.0° |
| H87 | N16 | C68 | C69 | 4.4° | 50.0° |
| H87 | N16 | C68 | C73 | 111.9° | 69.8° |
| O16 | C67 | C68 | N16 | 137.9° | 121.8° |
| O16 | C67 | C68 | C69 | 106.3° | 119.1° |
| O16 | C67 | C68 | C73 | 17.4° | 1.4° |
| O16 | C67 | N17 | C74 | 0.4° | 1.9° |
| O16 | C67 | N17 | H98 | 179.6° | 178.0° |
| N16 | C68 | C69 | C73 | 114.4° | 119.8° |
| N16 | C68 | C69 | H88 | 81.7° | 112.8° |
| N16 | C68 | C69 | H89 | 36.2° | 7.1° |
| N16 | C68 | C69 | C72 | 157.3° | 127.1° |
| N16 | C68 | C73 | H95 | 56.9° | 60.4° |
| N16 | C68 | C73 | H96 | 176.9° | 59.5° |
| N16 | C68 | C73 | H97 | 63.1° | 179.6° |
| N16 | C68 | C67 | N17 | 42.6° | 58.1° |
| C68 | C69 | H88 | H89 | 116.7° | 119.9° |
| C68 | C69 | H88 | C72 | 126.6° | 120.1° |
| C68 | C69 | H89 | C72 | 126.6° | 120.0° |
| C68 | C69 | C72 | C70 | 175.6° | 147.8° |
| C68 | C69 | C72 | H93 | 63.1° | 27.8° |
| C68 | C69 | C72 | H94 | 54.3° | 92.2° |
| C69 | C68 | C73 | H95 | 55.7° | 179.5° |
| C69 | C68 | C73 | H96 | 64.3° | 59.5° |
| C69 | C68 | C73 | H97 | 175.7° | 60.5° |
| C69 | C68 | N16 | C57 | 175.6° | 130.0° |
| C69 | C68 | C67 | N17 | 73.3° | 60.9° |
| H88 | C69 | H89 | C72 | 116.7° | 120.1° |
| H88 | C69 | C72 | C70 | 63.4° | 92.2° |
| H88 | C69 | C72 | H93 | 57.9° | 147.8° |
| H88 | C69 | C72 | H94 | 175.3° | 27.8° |
| H88 | C69 | C68 | C73 | 32.7° | 7.0° |
| H89 | C69 | C72 | C70 | 54.5° | 27.8° |
| H89 | C69 | C72 | H93 | 175.8° | 92.1° |
| H89 | C69 | C72 | H94 | 66.8° | 147.8° |
| H89 | C69 | C68 | C73 | 150.6° | 126.9° |
| C72 | C70 | H90 | H91 | 116.1° | 120.0° |
| C72 | C70 | H90 | C71 | 127.8° | 120.0° |
| C72 | C70 | H91 | C71 | 127.8° | 120.0° |
| C72 | C70 | C71 | H92 | 124.9° | 35.2° |
| C70 | C72 | C69 | H93 | 121.3° | 120.0° |
| C70 | C72 | C69 | H94 | 121.3° | 120.0° |
| C70 | C72 | H93 | H94 | 115.9° | 120.0° |
| C72 | C70 | C71 | C47 | 55.1° | 144.8° |
| H90 | C70 | H91 | C71 | 116.1° | 120.0° |
| H90 | C70 | C71 | H92 | 113.9° | 155.2° |
| H90 | C70 | C72 | C69 | 144.8° | 7.7° |
| H90 | C70 | C72 | H93 | 93.9° | 127.7° |
| H90 | C70 | C72 | H94 | 23.5° | 112.3° |
| H90 | C70 | C71 | C47 | 66.1° | 24.8° |
| H91 | C70 | C71 | H92 | 3.7° | 84.8° |
| H91 | C70 | C72 | C69 | 97.6° | 127.7° |
| H91 | C70 | C72 | H93 | 23.7° | 112.3° |
| H91 | C70 | C72 | H94 | 141.1° | 7.7° |
| H91 | C70 | C71 | C47 | 176.3° | 95.2° |
| C70 | C71 | H92 | C47 | 180.0° | 180.0° |
| C71 | C70 | C72 | C69 | 23.6° | 112.3° |
| C71 | C70 | C72 | H93 | 144.9° | 7.7° |
| C71 | C70 | C72 | H94 | 97.7° | 127.7° |
| C69 | C72 | H93 | H94 | 115.9° | 120.0° |
| C72 | C69 | C68 | C73 | 88.3° | 113.1° |
| C68 | C73 | H95 | H96 | 120.0° | 119.9° |
| C68 | C73 | H95 | H97 | 120.0° | 120.0° |
| C68 | C73 | H96 | H97 | 120.0° | 120.0° |
| C73 | C68 | N16 | C57 | 68.0° | 110.2° |
| C73 | C68 | C67 | N17 | 163.1° | 178.6° |
| H95 | C73 | H96 | H97 | 120.0° | 120.1° |
| C74 | N17 | H98 | C67 | 180.0° | 179.9° |
| N17 | C74 | C75 | C76 | 120.7° | 120.0° |
| N17 | C74 | C75 | H99 | 117.5° | 120.0° |
| N17 | C74 | C76 | H99 | 116.5° | 120.0° |
| N17 | C74 | C75 | O17 | 117.9° | 35.3° |
| N17 | C74 | C76 | C77 | 73.5° | 61.3° |
| N17 | C74 | C76 | C78 | 162.7° | 58.7° |
| N17 | C74 | C76 | H100 | 45.6° | 178.7° |
| N17 | C74 | C75 | N18 | 62.5° | 144.7° |
| H98 | N17 | C74 | C75 | 115.7° | 16.1° |
| H98 | N17 | C74 | C76 | 11.6° | 104.0° |
| H98 | N17 | C74 | H99 | 127.3° | 136.1° |
| C75 | C74 | C76 | H99 | 122.0° | 119.9° |
| C74 | C75 | O17 | N18 | 179.6° | 180.0° |
| C75 | C74 | C76 | C77 | 165.0° | 58.7° |
| C75 | C74 | C76 | C78 | 41.2° | 178.7° |
| C75 | C74 | C76 | H100 | 75.9° | 61.2° |
| C74 | C75 | N18 | C80 | 179.9° | 176.1° |
| C74 | C75 | N18 | H109 | 0.1° | 3.8° |
| C75 | C74 | N17 | C67 | 64.3° | 164.0° |
| C76 | C74 | C75 | O17 | 121.5° | 155.3° |
| C74 | C76 | C77 | C78 | 125.5° | 120.0° |
| C74 | C76 | C77 | H100 | 119.0° | 120.0° |
| C74 | C76 | C78 | H100 | 116.8° | 120.1° |
| C74 | C76 | C77 | C79 | 126.7° | 168.1° |
| C74 | C76 | C77 | H101 | 112.2° | 71.9° |
| C74 | C76 | C77 | H102 | 5.5° | 48.1° |
| C74 | C76 | C78 | H103 | 180.0° | 180.0° |
| C74 | C76 | C78 | H104 | 60.0° | 60.1° |
| C74 | C76 | C78 | H105 | 60.0° | 60.0° |
| C76 | C74 | N17 | C67 | 168.4° | 76.0° |
| C76 | C74 | C75 | N18 | 58.2° | 24.7° |
| H99 | C74 | C75 | O17 | 0.4° | 84.8° |
| H99 | C74 | C76 | C77 | 43.0° | 178.7° |
| H99 | C74 | C76 | C78 | 80.8° | 61.3° |
| H99 | C74 | C76 | H100 | 162.1° | 58.7° |
| H99 | C74 | N17 | C67 | 52.7° | 44.0° |
| H99 | C74 | C75 | N18 | 180.0° | 95.3° |
| O17 | C75 | N18 | C80 | 0.4° | 3.9° |
| O17 | C75 | N18 | H109 | 179.6° | 176.2° |
| C77 | C76 | C78 | H100 | 115.3° | 120.0° |
| C76 | C77 | C79 | H101 | 121.1° | 120.0° |
| C76 | C77 | C79 | H102 | 121.1° | 120.0° |
| C76 | C77 | H101 | H102 | 116.5° | 120.0° |
| C77 | C76 | C78 | H103 | 52.1° | 60.0° |
| C77 | C76 | C78 | H104 | 172.1° | 180.0° |
| C77 | C76 | C78 | H105 | 67.8° | 60.0° |
| C76 | C77 | C79 | H106 | 180.0° | 64.7° |
| C76 | C77 | C79 | H107 | 60.0° | 55.2° |
| C76 | C77 | C79 | H108 | 60.0° | 175.3° |
| C78 | C76 | C77 | C79 | 107.9° | 71.9° |
| C78 | C76 | C77 | H101 | 13.3° | 48.0° |
| C78 | C76 | C77 | H102 | 131.0° | 168.0° |
| C76 | C78 | H103 | H104 | 120.0° | 120.0° |
| C76 | C78 | H103 | H105 | 120.0° | 120.0° |
| C76 | C78 | H104 | H105 | 120.0° | 120.0° |
| H100 | C76 | C77 | C79 | 7.7° | 48.1° |
| H100 | C76 | C77 | H101 | 128.8° | 168.0° |
| H100 | C76 | C77 | H102 | 113.4° | 71.9° |
| H100 | C76 | C78 | H103 | 63.2° | 60.0° |
| H100 | C76 | C78 | H104 | 56.8° | 60.0° |
| H100 | C76 | C78 | H105 | 176.8° | 179.9° |
| C79 | C77 | H101 | H102 | 116.5° | 120.0° |
| C77 | C79 | H106 | H107 | 120.0° | 120.0° |
| C77 | C79 | H106 | H108 | 120.0° | 120.0° |
| C77 | C79 | H107 | H108 | 120.0° | 120.0° |
| H101 | C77 | C79 | H106 | 58.9° | 175.3° |
| H101 | C77 | C79 | H107 | 178.9° | 64.8° |
| H101 | C77 | C79 | H108 | 61.2° | 55.3° |
| H102 | C77 | C79 | H106 | 58.9° | 55.3° |
| H102 | C77 | C79 | H107 | 61.1° | 175.2° |
| H102 | C77 | C79 | H108 | 178.9° | 64.7° |
| H103 | C78 | H104 | H105 | 119.9° | 120.0° |
| H106 | C79 | H107 | H108 | 120.0° | 120.0° |
| C80 | N18 | H109 | C75 | 180.0° | 180.0° |
| N18 | C80 | C81 | C82 | 122.3° | 120.0° |
| N18 | C80 | C81 | H110 | 121.3° | 120.0° |
| N18 | C80 | C82 | H110 | 118.4° | 120.0° |
| N18 | C80 | C81 | O18 | 139.0° | 0.0° |
| N18 | C80 | C82 | C83 | 113.0° | 62.4° |
| N18 | C80 | C82 | H111 | 8.2° | 57.6° |
| N18 | C80 | C82 | H112 | 125.7° | 177.6° |
| N18 | C80 | C81 | N20 | 38.4° | 180.0° |
| H109 | N18 | C80 | C81 | 138.0° | 33.5° |
| H109 | N18 | C80 | C82 | 16.7° | 86.4° |
| H109 | N18 | C80 | H110 | 101.2° | 153.5° |
| C81 | C80 | C82 | H110 | 116.5° | 120.0° |
| C80 | C81 | O18 | N20 | 177.2° | 180.0° |
| C81 | C80 | C82 | C83 | 121.9° | 177.6° |
| C81 | C80 | C82 | H111 | 116.8° | 62.3° |
| C81 | C80 | C82 | H112 | 0.6° | 57.7° |
| C80 | C81 | N20 | C86 | 175.2° | 180.0° |
| C80 | C81 | N20 | H122 | 4.8° | 0.0° |
| C81 | C80 | N18 | C75 | 42.0° | 146.5° |
| C82 | C80 | C81 | O18 | 98.8° | 120.0° |
| C80 | C82 | C83 | H111 | 121.3° | 120.0° |
| C80 | C82 | C83 | H112 | 121.3° | 120.0° |
| C80 | C82 | H111 | H112 | 116.0° | 120.0° |
| C80 | C82 | C83 | C84 | 156.3° | 175.4° |
| C80 | C82 | C83 | H113 | 35.3° | 55.4° |
| C80 | C82 | C83 | H114 | 82.6° | 64.6° |
| C82 | C80 | N18 | C75 | 163.3° | 93.6° |
| C82 | C80 | C81 | N20 | 83.8° | 60.0° |
| H110 | C80 | C81 | O18 | 17.7° | 120.0° |
| H110 | C80 | C82 | C83 | 5.4° | 57.6° |
| H110 | C80 | C82 | H111 | 126.6° | 177.7° |
| H110 | C80 | C82 | H112 | 115.9° | 62.3° |
| H110 | C80 | N18 | C75 | 78.8° | 26.5° |
| H110 | C80 | C81 | N20 | 159.7° | 60.0° |
| O18 | C81 | N20 | C86 | 2.1° | 0.0° |
| O18 | C81 | N20 | H122 | 177.9° | 180.0° |
| C83 | C82 | H111 | H112 | 116.0° | 120.0° |
| C82 | C83 | C84 | H113 | 121.1° | 120.1° |
| C82 | C83 | C84 | H114 | 121.1° | 119.9° |
| C82 | C83 | H113 | H114 | 116.6° | 120.0° |
| C82 | C83 | C84 | C85 | 157.1° | 176.1° |
| C82 | C83 | C84 | H115 | 81.7° | 63.9° |
| C82 | C83 | C84 | H116 | 35.8° | 56.1° |
| H111 | C82 | C83 | C84 | 82.4° | 64.5° |
| H111 | C82 | C83 | H113 | 156.5° | 175.4° |
| H111 | C82 | C83 | H114 | 38.7° | 55.4° |
| H112 | C82 | C83 | C84 | 35.0° | 55.5° |
| H112 | C82 | C83 | H113 | 86.0° | 64.6° |
| H112 | C82 | C83 | H114 | 156.1° | 175.4° |
| C84 | C83 | H113 | H114 | 116.6° | 120.0° |
| C83 | C84 | C85 | H115 | 121.3° | 120.0° |
| C83 | C84 | C85 | H116 | 121.3° | 119.9° |
| C83 | C84 | H115 | H116 | 115.9° | 120.0° |
| C83 | C84 | C85 | N19 | 128.7° | 175.2° |
| C83 | C84 | C85 | H117 | 110.1° | 64.8° |
| C83 | C84 | C85 | H118 | 7.5° | 55.2° |
| H113 | C83 | C84 | C85 | 36.0° | 56.0° |
| H113 | C83 | C84 | H115 | 157.3° | 176.0° |
| H113 | C83 | C84 | H116 | 85.3° | 63.9° |
| H114 | C83 | C84 | C85 | 81.8° | 64.0° |
| H114 | C83 | C84 | H115 | 39.4° | 56.0° |
| H114 | C83 | C84 | H116 | 156.9° | 176.1° |
| C85 | C84 | H115 | H116 | 115.9° | 120.1° |
| C84 | C85 | N19 | H117 | 121.2° | 119.9° |
| C84 | C85 | N19 | H118 | 121.2° | 120.0° |
| C84 | C85 | H117 | H118 | 116.2° | 120.0° |
| C84 | C85 | N19 | H119 | 180.0° | 180.0° |
| C84 | C85 | N19 | H120 | 60.0° | 60.1° |
| C84 | C85 | N19 | H121 | 60.0° | 60.0° |
| H115 | C84 | C85 | N19 | 7.4° | 55.3° |
| H115 | C84 | C85 | H117 | 128.7° | 175.2° |
| H115 | C84 | C85 | H118 | 113.8° | 64.8° |
| H116 | C84 | C85 | N19 | 110.0° | 64.8° |
| H116 | C84 | C85 | H117 | 11.2° | 55.1° |
| H116 | C84 | C85 | H118 | 128.8° | 175.1° |
| N19 | C85 | H117 | H118 | 116.1° | 120.0° |
| C85 | N19 | H119 | H120 | 120.0° | 119.9° |
| C85 | N19 | H119 | H121 | 120.0° | 120.0° |
| C85 | N19 | H120 | H121 | 120.0° | 120.0° |
| H117 | C85 | N19 | H119 | 58.8° | 60.0° |
| H117 | C85 | N19 | H120 | 178.8° | 180.0° |
| H117 | C85 | N19 | H121 | 61.2° | 60.0° |
| H118 | C85 | N19 | H119 | 58.8° | 60.0° |
| H118 | C85 | N19 | H120 | 61.2° | 60.0° |
| H118 | C85 | N19 | H121 | 178.8° | 180.0° |
| H119 | N19 | H120 | H121 | 120.0° | 120.1° |
| C86 | N20 | H122 | C81 | 180.0° | 179.9° |
| N20 | C86 | C87 | C88 | 122.7° | 120.1° |
| N20 | C86 | C87 | H123 | 119.5° | 120.0° |
| N20 | C86 | C88 | H123 | 119.2° | 120.0° |
| N20 | C86 | C87 | O19 | 121.4° | 0.0° |
| N20 | C86 | C88 | C89 | 159.5° | 65.0° |
| N20 | C86 | C88 | H124 | 79.8° | 55.0° |
| N20 | C86 | C88 | H125 | 38.8° | 175.0° |
| N20 | C86 | C87 | N22 | 55.3° | 180.0° |
| H122 | N20 | C86 | C87 | 108.8° | 25.0° |
| H122 | N20 | C86 | C88 | 13.6° | 95.0° |
| H122 | N20 | C86 | H123 | 132.3° | 145.0° |
| C87 | C86 | C88 | H123 | 117.8° | 119.9° |
| C86 | C87 | O19 | N22 | 176.4° | 180.0° |
| C87 | C86 | C88 | C89 | 36.5° | 175.0° |
| C87 | C86 | C88 | H124 | 157.2° | 65.1° |
| C87 | C86 | C88 | H125 | 84.2° | 54.9° |
| C86 | C87 | N22 | C92 | 174.8° | 180.0° |
| C86 | C87 | N22 | H135 | 5.2° | 0.0° |
| C87 | C86 | N20 | C81 | 71.2° | 155.0° |
| C88 | C86 | C87 | O19 | 115.9° | 120.0° |
| C86 | C88 | C89 | H124 | 120.7° | 119.9° |
| C86 | C88 | C89 | H125 | 120.7° | 120.1° |
| C86 | C88 | H124 | H125 | 117.9° | 120.0° |
| C86 | C88 | C89 | C90 | 113.8° | 180.0° |
| C86 | C88 | C89 | H126 | 6.5° | 60.1° |
| C86 | C88 | C89 | H127 | 126.0° | 59.9° |
| C88 | C86 | N20 | C81 | 166.4° | 85.0° |
| C88 | C86 | C87 | N22 | 67.4° | 60.0° |
| H123 | C86 | C87 | O19 | 1.9° | 120.0° |
| H123 | C86 | C88 | C89 | 81.3° | 55.1° |
| H123 | C86 | C88 | H124 | 39.4° | 175.0° |
| H123 | C86 | C88 | H125 | 158.0° | 65.0° |
| H123 | C86 | N20 | C81 | 47.7° | 35.1° |
| H123 | C86 | C87 | N22 | 174.8° | 60.0° |
| O19 | C87 | N22 | C92 | 1.7° | 0.0° |
| O19 | C87 | N22 | H135 | 178.3° | 180.0° |
| C89 | C88 | H124 | H125 | 117.9° | 120.0° |
| C88 | C89 | C90 | H126 | 120.3° | 120.0° |
| C88 | C89 | C90 | H127 | 120.3° | 120.1° |
| C88 | C89 | H126 | H127 | 119.2° | 120.0° |
| C88 | C89 | C90 | C91 | 174.7° | 180.0° |
| C88 | C89 | C90 | H128 | 65.0° | 60.0° |
| C88 | C89 | C90 | H129 | 54.5° | 59.9° |
| H124 | C88 | C89 | C90 | 125.5° | 60.0° |
| H124 | C88 | C89 | H126 | 114.2° | 180.0° |
| H124 | C88 | C89 | H127 | 5.2° | 60.0° |
| H125 | C88 | C89 | C90 | 6.9° | 60.0° |
| H125 | C88 | C89 | H126 | 127.2° | 60.0° |
| H125 | C88 | C89 | H127 | 113.4° | 180.0° |
| C90 | C89 | H126 | H127 | 119.1° | 120.0° |
| C89 | C90 | C91 | H128 | 120.3° | 119.9° |
| C89 | C90 | C91 | H129 | 120.3° | 120.0° |
| C89 | C90 | H128 | H129 | 119.2° | 120.0° |
| C89 | C90 | C91 | N21 | 146.4° | 180.0° |
| C89 | C90 | C91 | H130 | 26.0° | 60.1° |
| C89 | C90 | C91 | H131 | 93.3° | 60.0° |
| H126 | C89 | C90 | C91 | 54.4° | 60.0° |
| H126 | C89 | C90 | H128 | 174.7° | 180.0° |
| H126 | C89 | C90 | H129 | 65.8° | 60.0° |
| H127 | C89 | C90 | C91 | 65.0° | 59.9° |
| H127 | C89 | C90 | H128 | 55.3° | 60.0° |
| H127 | C89 | C90 | H129 | 174.8° | 180.0° |
| C91 | C90 | H128 | H129 | 119.1° | 120.1° |
| C90 | C91 | N21 | H130 | 120.4° | 119.9° |
| C90 | C91 | N21 | H131 | 120.3° | 120.1° |
| C90 | C91 | H130 | H131 | 118.9° | 120.1° |
| C90 | C91 | N21 | H132 | 180.0° | 60.0° |
| C90 | C91 | N21 | H133 | 60.0° | 60.0° |
| C90 | C91 | N21 | H134 | 60.0° | 180.0° |
| H128 | C90 | C91 | N21 | 93.4° | 60.1° |
| H128 | C90 | C91 | H130 | 146.3° | NaN° |
| H128 | C90 | C91 | H131 | 27.0° | 60.0° |
| H129 | C90 | C91 | N21 | 26.1° | 60.0° |
| H129 | C90 | C91 | H130 | 94.3° | 60.0° |
| H129 | C90 | C91 | H131 | 146.5° | 180.0° |
| N21 | C91 | H130 | H131 | 118.9° | 120.0° |
| C91 | N21 | H132 | H133 | 120.0° | 120.0° |
| C91 | N21 | H132 | H134 | 120.0° | 120.0° |
| C91 | N21 | H133 | H134 | 120.0° | 120.1° |
| H130 | C91 | N21 | H132 | 59.6° | 180.0° |
| H130 | C91 | N21 | H133 | 179.7° | 60.0° |
| H130 | C91 | N21 | H134 | 60.4° | 60.1° |
| H131 | C91 | N21 | H132 | 59.7° | 60.0° |
| H131 | C91 | N21 | H133 | 60.4° | 180.0° |
| H131 | C91 | N21 | H134 | 179.7° | 59.9° |
| H132 | N21 | H133 | H134 | 120.0° | 119.9° |
| C92 | N22 | H135 | C87 | 180.0° | 180.0° |
| N22 | C92 | C93 | C94 | 123.1° | 120.0° |
| N22 | C92 | C93 | H136 | 119.6° | 120.0° |
| N22 | C92 | C94 | H136 | 118.7° | 120.1° |
| N22 | C92 | C93 | O20 | 125.9° | 0.0° |
| N22 | C92 | C94 | C95 | 106.0° | 65.1° |
| N22 | C92 | C94 | H137 | 14.7° | 54.9° |
| N22 | C92 | C94 | H138 | 133.3° | 174.9° |
| N22 | C92 | C93 | N24 | 54.3° | 180.0° |
| H135 | N22 | C92 | C93 | 139.3° | 25.0° |
| H135 | N22 | C92 | C94 | 16.5° | 95.0° |
| H135 | N22 | C92 | H136 | 101.6° | 144.9° |
| C93 | C92 | C94 | H136 | 117.4° | 120.0° |
| C92 | C93 | O20 | N24 | 179.8° | 180.0° |
| C93 | C92 | C94 | C95 | 130.1° | 175.0° |
| C93 | C92 | C94 | H137 | 109.2° | 65.0° |
| C93 | C92 | C94 | H138 | 9.5° | 55.0° |
| C92 | C93 | N24 | C98 | 178.6° | 180.0° |
| C92 | C93 | N24 | H148 | 1.4° | 0.1° |
| C93 | C92 | N22 | C87 | 40.7° | 155.0° |
| C94 | C92 | C93 | O20 | 111.0° | 119.9° |
| C92 | C94 | C95 | H137 | 120.7° | 120.0° |
| C92 | C94 | C95 | H138 | 120.7° | 120.0° |
| C92 | C94 | H137 | H138 | 117.9° | 120.0° |
| C92 | C94 | C95 | C96 | 23.7° | 180.0° |
| C92 | C94 | C95 | H139 | 96.6° | 60.0° |
| C92 | C94 | C95 | H140 | 144.0° | 60.0° |
| C94 | C92 | N22 | C87 | 163.5° | 85.0° |
| C94 | C92 | C93 | N24 | 68.8° | 60.0° |
| H136 | C92 | C93 | O20 | 6.3° | 120.0° |
| H136 | C92 | C94 | C95 | 12.7° | 55.0° |
| H136 | C92 | C94 | H137 | 133.4° | 175.0° |
| H136 | C92 | C94 | H138 | 108.0° | 65.0° |
| H136 | C92 | N22 | C87 | 78.4° | 35.0° |
| H136 | C92 | C93 | N24 | 173.9° | 60.0° |
| O20 | C93 | N24 | C98 | 1.2° | 0.0° |
| O20 | C93 | N24 | H148 | 178.8° | 179.9° |
| C95 | C94 | H137 | H138 | 117.9° | 120.0° |
| C94 | C95 | C96 | H139 | 120.3° | 120.0° |
| C94 | C95 | C96 | H140 | 120.3° | 119.9° |
| C94 | C95 | H139 | H140 | 119.2° | 120.0° |
| C94 | C95 | C96 | C97 | 107.4° | 180.0° |
| C94 | C95 | C96 | H141 | 12.8° | 59.9° |
| C94 | C95 | C96 | H142 | 132.3° | 60.0° |
| H137 | C94 | C95 | C96 | 144.4° | 60.0° |
| H137 | C94 | C95 | H139 | 24.1° | 179.9° |
| H137 | C94 | C95 | H140 | 95.3° | 60.0° |
| H138 | C94 | C95 | C96 | 97.0° | 60.0° |
| H138 | C94 | C95 | H139 | 142.7° | 60.0° |
| H138 | C94 | C95 | H140 | 23.3° | 180.0° |
| C96 | C95 | H139 | H140 | 119.2° | 120.0° |
| C95 | C96 | C97 | H141 | 120.3° | 120.1° |
| C95 | C96 | C97 | H142 | 120.3° | 120.0° |
| C95 | C96 | H141 | H142 | 119.2° | 119.9° |
| C95 | C96 | C97 | N23 | 95.7° | 180.0° |
| C95 | C96 | C97 | H143 | 24.6° | 59.9° |
| C95 | C96 | C97 | H144 | 143.9° | 60.0° |
| H139 | C95 | C96 | C97 | 132.3° | 60.0° |
| H139 | C95 | C96 | H141 | 107.4° | 180.0° |
| H139 | C95 | C96 | H142 | 12.0° | 60.0° |
| H140 | C95 | C96 | C97 | 12.8° | 60.1° |
| H140 | C95 | C96 | H141 | 133.1° | 60.0° |
| H140 | C95 | C96 | H142 | 107.4° | 180.0° |
| C97 | C96 | H141 | H142 | 119.1° | 120.0° |
| C96 | C97 | N23 | H143 | 120.4° | 120.0° |
| C96 | C97 | N23 | H144 | 120.4° | 119.9° |
| C96 | C97 | H143 | H144 | 118.9° | 119.9° |
| C96 | C97 | N23 | H145 | 180.0° | 180.0° |
| C96 | C97 | N23 | H146 | 60.0° | 60.0° |
| C96 | C97 | N23 | H147 | 60.0° | 60.1° |
| H141 | C96 | C97 | N23 | 144.0° | 59.9° |
| H141 | C96 | C97 | H143 | 95.6° | 180.0° |
| H141 | C96 | C97 | H144 | 23.7° | 60.0° |
| H142 | C96 | C97 | N23 | 24.6° | 60.0° |
| H142 | C96 | C97 | H143 | 144.9° | 60.1° |
| H142 | C96 | C97 | H144 | 95.8° | 180.0° |
| N23 | C97 | H143 | H144 | 118.8° | 120.0° |
| C97 | N23 | H145 | H146 | 120.0° | 120.0° |
| C97 | N23 | H145 | H147 | 120.0° | 119.9° |
| C97 | N23 | H146 | H147 | 120.0° | 120.0° |
| H143 | C97 | N23 | H145 | 59.6° | 60.0° |
| H143 | C97 | N23 | H146 | 179.6° | 180.0° |
| H143 | C97 | N23 | H147 | 60.4° | 60.0° |
| H144 | C97 | N23 | H145 | 59.7° | 60.1° |
| H144 | C97 | N23 | H146 | 60.4° | 60.0° |
| H144 | C97 | N23 | H147 | 179.7° | 180.0° |
| H145 | N23 | H146 | H147 | 120.0° | 120.0° |
| C98 | N24 | H148 | C93 | 180.0° | 179.9° |
| N24 | C98 | C99 | C100 | 125.9° | 120.0° |
| N24 | C98 | C99 | H149 | 118.9° | 120.0° |
| N24 | C98 | C100 | H149 | 120.0° | 120.0° |
| N24 | C98 | C99 | O21 | 67.8° | 0.0° |
| N24 | C98 | C99 | O22 | 112.3° | 180.0° |
| N24 | C98 | C100 | C101 | 121.0° | 65.0° |
| N24 | C98 | C100 | H150 | 0.4° | 55.0° |
| N24 | C98 | C100 | H151 | 117.7° | 175.0° |
| H148 | N24 | C98 | C99 | 5.0° | 94.9° |
| H148 | N24 | C98 | C100 | 116.6° | 25.1° |
| H148 | N24 | C98 | H149 | 123.7° | 145.0° |
| C99 | C98 | C100 | H149 | 115.3° | 120.0° |
| C98 | C99 | O21 | O22 | 179.9° | 179.9° |
| C99 | C98 | C100 | C101 | 114.4° | 175.0° |
| C99 | C98 | C100 | H150 | 124.3° | 65.0° |
| C99 | C98 | C100 | H151 | 6.9° | 55.0° |
| C98 | C99 | O22 | H161 | 180.0° | 180.0° |
| C99 | C98 | N24 | C93 | 175.0° | 85.0° |
| C100 | C98 | C99 | O21 | 58.1° | 120.0° |
| C100 | C98 | C99 | O22 | 121.9° | 60.0° |
| C98 | C100 | C101 | H150 | 121.3° | 120.0° |
| C98 | C100 | C101 | H151 | 121.3° | 120.0° |
| C98 | C100 | H150 | H151 | 115.7° | 120.0° |
| C98 | C100 | C101 | C102 | 100.0° | 180.0° |
| C98 | C100 | C101 | H152 | 138.8° | 60.0° |
| C98 | C100 | C101 | H153 | 21.2° | 60.0° |
| C100 | C98 | N24 | C93 | 63.4° | 155.0° |
| H149 | C98 | C99 | O21 | 173.3° | 120.0° |
| H149 | C98 | C99 | O22 | 6.6° | 59.9° |
| H149 | C98 | C100 | C101 | 0.9° | 55.0° |
| H149 | C98 | C100 | H150 | 120.4° | 175.0° |
| H149 | C98 | C100 | H151 | 122.2° | 65.0° |
| H149 | C98 | N24 | C93 | 56.3° | 35.0° |
| O21 | C99 | O22 | H161 | 0.0° | 0.1° |
| C101 | C100 | H150 | H151 | 115.8° | 120.0° |
| C100 | C101 | C102 | H152 | 121.2° | 120.0° |
| C100 | C101 | C102 | H153 | 121.2° | 120.0° |
| C100 | C101 | H152 | H153 | 116.2° | 120.0° |
| C100 | C101 | C102 | C103 | 106.1° | 180.0° |
| C100 | C101 | C102 | H154 | 132.6° | 59.9° |
| C100 | C101 | C102 | H155 | 15.2° | 60.0° |
| H150 | C100 | C101 | C102 | 21.4° | 60.0° |
| H150 | C100 | C101 | H152 | 99.8° | 180.0° |
| H150 | C100 | C101 | H153 | 142.5° | 60.0° |
| H151 | C100 | C101 | C102 | 138.7° | 60.0° |
| H151 | C100 | C101 | H152 | 17.5° | 60.0° |
| H151 | C100 | C101 | H153 | 100.1° | NaN° |
| C102 | C101 | H152 | H153 | 116.3° | 120.0° |
| C101 | C102 | C103 | H154 | 121.3° | 120.0° |
| C101 | C102 | C103 | H155 | 121.2° | 120.0° |
| C101 | C102 | H154 | H155 | 116.0° | 119.9° |
| C101 | C102 | C103 | N25 | 134.5° | 180.0° |
| C101 | C102 | C103 | H156 | 13.3° | 60.0° |
| C101 | C102 | C103 | H157 | 104.3° | 60.0° |
| H152 | C101 | C102 | C103 | 15.1° | 60.0° |
| H152 | C101 | C102 | H154 | 106.1° | 180.0° |
| H152 | C101 | C102 | H155 | 136.4° | 60.0° |
| H153 | C101 | C102 | C103 | 132.7° | 60.0° |
| H153 | C101 | C102 | H154 | 11.5° | 60.1° |
| H153 | C101 | C102 | H155 | 106.0° | 180.0° |
| C103 | C102 | H154 | H155 | 116.1° | 120.0° |
| C102 | C103 | N25 | H156 | 121.2° | 120.0° |
| C102 | C103 | N25 | H157 | 121.1° | 120.0° |
| C102 | C103 | H156 | H157 | 116.3° | 120.0° |
| C102 | C103 | N25 | H158 | 180.0° | 60.1° |
| C102 | C103 | N25 | H159 | 60.0° | 60.0° |
| C102 | C103 | N25 | H160 | 60.0° | 180.0° |
| H154 | C102 | C103 | N25 | 104.2° | 60.0° |
| H154 | C102 | C103 | H156 | 134.6° | 180.0° |
| H154 | C102 | C103 | H157 | 16.9° | 60.0° |
| H155 | C102 | C103 | N25 | 13.3° | 60.0° |
| H155 | C102 | C103 | H156 | 107.9° | 60.0° |
| H155 | C102 | C103 | H157 | 134.4° | 180.0° |
| N25 | C103 | H156 | H157 | 116.4° | 120.0° |
| C103 | N25 | H158 | H159 | 120.0° | 120.1° |
| C103 | N25 | H158 | H160 | 120.0° | 119.9° |
| C103 | N25 | H159 | H160 | 120.0° | 120.0° |
| H156 | C103 | N25 | H158 | 58.8° | 179.9° |
| H156 | C103 | N25 | H159 | 178.8° | 60.0° |
| H156 | C103 | N25 | H160 | 61.2° | 60.0° |
| H157 | C103 | N25 | H158 | 58.9° | 59.9° |
| H157 | C103 | N25 | H159 | 61.2° | 180.0° |
| H157 | C103 | N25 | H160 | 178.9° | 60.0° |
| H158 | N25 | H159 | H160 | 120.0° | 120.0° |
