PRD_001014
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 0.00Å | |
| N1 | H1 | sing | 1.01Å | 0.00Å | |
| N1 | H2 | sing | 1.01Å | 0.00Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C1 | C3 | sing | 1.53Å | 0.00Å | |
| C1 | H3 | sing | 1.09Å | 0.00Å | |
| C2 | O1 | doub | 1.21Å | 0.00Å | |
| C3 | C4 | sing | 1.53Å | 0.00Å | |
| C3 | H4 | sing | 1.09Å | 0.00Å | |
| C3 | H5 | sing | 1.09Å | 0.00Å | |
| C4 | C5 | sing | 1.53Å | 0.00Å | |
| C4 | C9 | sing | 1.53Å | 0.00Å | |
| C4 | H6 | sing | 1.09Å | 0.00Å | |
| C5 | C6 | sing | 1.53Å | 0.00Å | |
| C5 | H7 | sing | 1.09Å | 0.00Å | |
| C5 | H8 | sing | 1.09Å | 0.00Å | |
| C6 | C7 | sing | 1.53Å | 0.00Å | |
| C6 | H9 | sing | 1.09Å | 0.00Å | |
| C6 | H10 | sing | 1.09Å | 0.00Å | |
| C7 | C8 | sing | 1.53Å | 0.00Å | |
| C7 | H11 | sing | 1.09Å | 0.00Å | |
| C7 | H12 | sing | 1.09Å | 0.00Å | |
| C8 | C9 | sing | 1.53Å | 0.00Å | |
| C8 | H13 | sing | 1.09Å | 0.00Å | |
| C8 | H14 | sing | 1.09Å | 0.00Å | |
| C9 | H15 | sing | 1.09Å | 0.00Å | |
| C9 | H16 | sing | 1.09Å | 0.00Å | |
| N2 | C10 | sing | 1.47Å | 0.00Å | |
| N2 | H17 | sing | 0.97Å | 0.00Å | |
| C10 | C11 | sing | 1.51Å | 0.00Å | |
| C10 | C12 | sing | 1.53Å | 0.00Å | |
| C10 | H18 | sing | 1.09Å | 0.00Å | |
| C11 | O2 | doub | 1.21Å | 0.00Å | |
| C12 | C13 | sing | 1.53Å | 0.00Å | |
| C12 | H19 | sing | 1.09Å | 0.00Å | |
| C12 | H20 | sing | 1.09Å | 0.00Å | |
| C13 | C14 | sing | 1.53Å | 0.00Å | |
| C13 | H21 | sing | 1.09Å | 0.00Å | |
| C13 | H22 | sing | 1.09Å | 0.00Å | |
| C14 | N3 | sing | 1.46Å | 0.00Å | |
| C14 | H23 | sing | 1.09Å | 0.00Å | |
| C14 | H24 | sing | 1.09Å | 0.00Å | |
| N3 | C15 | sing | 1.37Å | 0.00Å | |
| N3 | H25 | sing | 0.97Å | 0.00Å | |
| C15 | N4 | sing | 1.33Å | 0.00Å | |
| C15 | N5 | doub | 1.33Å | 0.00Å | |
| N4 | H26 | sing | 0.97Å | 0.00Å | |
| N4 | H27 | sing | 0.97Å | 0.00Å | |
| N5 | H28 | sing | 0.97Å | 0.00Å | |
| N5 | H29 | sing | 0.97Å | 0.00Å | |
| N6 | C16 | sing | 1.47Å | 0.00Å | |
| N6 | C20 | sing | 1.47Å | 0.00Å | |
| C16 | C17 | sing | 1.51Å | 0.00Å | |
| C16 | C18 | sing | 1.54Å | 0.00Å | |
| C16 | H30 | sing | 1.09Å | 0.00Å | |
| C17 | O3 | doub | 1.21Å | 0.00Å | |
| C18 | C19 | sing | 1.55Å | 0.00Å | |
| C18 | H31 | sing | 1.09Å | 0.00Å | |
| C18 | H32 | sing | 1.09Å | 0.00Å | |
| C19 | C20 | sing | 1.55Å | 0.00Å | |
| C19 | H33 | sing | 1.09Å | 0.00Å | |
| C19 | H34 | sing | 1.09Å | 0.00Å | |
| C20 | H35 | sing | 1.09Å | 0.00Å | |
| C20 | H36 | sing | 1.09Å | 0.00Å | |
| N7 | C21 | sing | 1.46Å | 0.00Å | |
| N7 | H37 | sing | 0.97Å | 0.00Å | |
| C21 | C22 | sing | 1.51Å | 0.00Å | |
| C21 | C23 | sing | 1.53Å | 0.00Å | |
| C21 | H38 | sing | 1.09Å | 0.00Å | |
| C22 | O4 | doub | 1.21Å | 0.00Å | |
| C23 | C24 | sing | 1.51Å | 0.00Å | |
| C23 | H39 | sing | 1.09Å | 0.00Å | |
| C23 | H40 | sing | 1.09Å | 0.00Å | |
| C24 | O5 | doub | 1.21Å | 0.00Å | |
| C24 | O6 | sing | 1.34Å | 0.00Å | |
| O6 | H41 | sing | 0.97Å | 0.00Å | |
| N8 | C25 | sing | 1.47Å | 0.00Å | |
| N8 | H42 | sing | 0.97Å | 0.00Å | |
| C25 | C26 | sing | 1.51Å | 0.00Å | |
| C25 | C27 | sing | 1.53Å | 0.00Å | |
| C25 | H43 | sing | 1.09Å | 0.00Å | |
| C26 | O7 | doub | 1.21Å | 0.00Å | |
| C27 | C28 | sing | 1.53Å | 0.00Å | |
| C27 | H44 | sing | 1.09Å | 0.00Å | |
| C27 | H45 | sing | 1.09Å | 0.00Å | |
| C28 | C29 | sing | 1.53Å | 0.00Å | |
| C28 | H46 | sing | 1.09Å | 0.00Å | |
| C28 | H47 | sing | 1.09Å | 0.00Å | |
| C29 | C30 | sing | 1.53Å | 0.00Å | |
| C29 | H48 | sing | 1.09Å | 0.00Å | |
| C29 | H49 | sing | 1.09Å | 0.00Å | |
| C30 | N9 | sing | 1.47Å | 0.00Å | |
| C30 | H50 | sing | 1.09Å | 0.00Å | |
| C30 | H51 | sing | 1.09Å | 0.00Å | |
| N9 | H52 | sing | 1.01Å | 0.00Å | |
| N9 | H53 | sing | 1.01Å | 0.00Å | |
| N9 | H54 | sing | 1.01Å | 0.00Å | |
| N10 | C31 | sing | 1.47Å | 0.00Å | |
| N10 | C35 | sing | 1.47Å | 0.00Å | |
| C31 | C32 | sing | 1.51Å | 0.00Å | |
| C31 | C33 | sing | 1.54Å | 0.00Å | |
| C31 | H55 | sing | 1.09Å | 0.00Å | |
| C32 | O8 | doub | 1.21Å | 0.00Å | |
| C33 | C34 | sing | 1.55Å | 0.00Å | |
| C33 | H56 | sing | 1.09Å | 0.00Å | |
| C33 | H57 | sing | 1.09Å | 0.00Å | |
| C34 | C35 | sing | 1.55Å | 0.00Å | |
| C34 | H58 | sing | 1.09Å | 0.00Å | |
| C34 | H59 | sing | 1.09Å | 0.00Å | |
| C35 | H60 | sing | 1.09Å | 0.00Å | |
| C35 | H61 | sing | 1.09Å | 0.00Å | |
| N11 | C36 | sing | 1.47Å | 1.49Å | |
| N11 | H62 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.54Å | |
| C36 | C38 | sing | 1.53Å | 1.55Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | O9 | doub | 1.21Å | 1.26Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | H64 | sing | 1.09Å | 1.10Å | |
| C38 | H65 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C39 | H66 | sing | 1.09Å | 1.10Å | |
| C39 | H67 | sing | 1.09Å | 1.10Å | |
| C40 | N12 | sing | 1.46Å | 1.46Å | |
| C40 | H68 | sing | 1.09Å | 1.10Å | |
| C40 | H69 | sing | 1.09Å | 1.10Å | |
| N12 | C41 | sing | 1.37Å | 1.34Å | |
| N12 | H70 | sing | 0.97Å | 1.00Å | |
| C41 | N13 | sing | 1.33Å | 1.32Å | |
| C41 | N14 | doub | 1.33Å | 1.33Å | |
| N13 | H71 | sing | 0.97Å | 1.00Å | |
| N13 | H72 | sing | 0.97Å | 1.00Å | |
| N14 | H73 | sing | 0.97Å | 1.00Å | |
| N14 | H74 | sing | 0.97Å | 1.00Å | |
| N15 | C42 | sing | 1.47Å | 1.46Å | |
| N15 | C46 | sing | 1.47Å | 1.47Å | |
| C42 | C43 | sing | 1.51Å | 1.50Å | |
| C42 | C44 | sing | 1.54Å | 1.56Å | |
| C42 | H75 | sing | 1.09Å | 1.10Å | |
| C43 | O10 | doub | 1.21Å | 1.28Å | |
| C44 | C45 | sing | 1.55Å | 1.51Å | |
| C44 | H76 | sing | 1.09Å | 1.10Å | |
| C44 | H77 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.55Å | 1.52Å | |
| C45 | H78 | sing | 1.09Å | 1.10Å | |
| C45 | H79 | sing | 1.09Å | 1.10Å | |
| C46 | H80 | sing | 1.09Å | 1.10Å | |
| C46 | H81 | sing | 1.09Å | 1.10Å | |
| N16 | C47 | sing | 1.47Å | 1.43Å | |
| N16 | H82 | sing | 0.97Å | 1.00Å | |
| C47 | C48 | sing | 1.51Å | 1.49Å | |
| C47 | C49 | sing | 1.53Å | 1.50Å | |
| C47 | H83 | sing | 1.09Å | 1.10Å | |
| C48 | O11 | doub | 1.21Å | 1.26Å | |
| C49 | C50 | sing | 1.51Å | 1.49Å | |
| C49 | H84 | sing | 1.09Å | 1.10Å | |
| C49 | H85 | sing | 1.09Å | 1.10Å | |
| C50 | C51 | doub | 1.38Å | 1.39Å | Aromatic |
| C50 | C52 | sing | 1.38Å | 1.38Å | Aromatic |
| C51 | C53 | sing | 1.38Å | 1.42Å | Aromatic |
| C51 | H86 | sing | 1.08Å | 1.08Å | |
| C52 | C54 | doub | 1.38Å | 1.38Å | Aromatic |
| C52 | H87 | sing | 1.08Å | 1.08Å | |
| C53 | C55 | doub | 1.39Å | 1.41Å | Aromatic |
| C53 | H88 | sing | 1.08Å | 1.08Å | |
| C54 | C55 | sing | 1.39Å | 1.39Å | Aromatic |
| C54 | H89 | sing | 1.08Å | 1.08Å | |
| C55 | O12 | sing | 1.36Å | 1.41Å | |
| O12 | H90 | sing | 0.97Å | 0.95Å | |
| N17 | C56 | sing | 1.46Å | 1.47Å | |
| N17 | H91 | sing | 0.97Å | 1.00Å | |
| C56 | C57 | sing | 1.51Å | 1.54Å | |
| C56 | C58 | sing | 1.53Å | 1.52Å | |
| C56 | H92 | sing | 1.09Å | 1.10Å | |
| C57 | O13 | doub | 1.21Å | 1.23Å | |
| C58 | C59 | sing | 1.53Å | 1.53Å | |
| C58 | H93 | sing | 1.09Å | 1.10Å | |
| C58 | H94 | sing | 1.09Å | 1.10Å | |
| C59 | C60 | sing | 1.53Å | 1.54Å | |
| C59 | C61 | sing | 1.53Å | 1.53Å | |
| C59 | H95 | sing | 1.09Å | 1.10Å | |
| C60 | H96 | sing | 1.09Å | 1.10Å | |
| C60 | H97 | sing | 1.09Å | 1.10Å | |
| C60 | H98 | sing | 1.09Å | 1.10Å | |
| C61 | H99 | sing | 1.09Å | 1.10Å | |
| C61 | H100 | sing | 1.09Å | 1.10Å | |
| C61 | H101 | sing | 1.09Å | 1.10Å | |
| N18 | C62 | sing | 1.47Å | 1.45Å | |
| N18 | C66 | sing | 1.47Å | 1.49Å | |
| C62 | C63 | sing | 1.51Å | 1.54Å | |
| C62 | C64 | sing | 1.54Å | 1.55Å | |
| C62 | H102 | sing | 1.09Å | 1.10Å | |
| C63 | O14 | doub | 1.21Å | 1.25Å | |
| C64 | C65 | sing | 1.55Å | 1.53Å | |
| C64 | H103 | sing | 1.09Å | 1.10Å | |
| C64 | H104 | sing | 1.09Å | 1.10Å | |
| C65 | C66 | sing | 1.55Å | 1.51Å | |
| C65 | H105 | sing | 1.09Å | 1.10Å | |
| C65 | H106 | sing | 1.09Å | 1.10Å | |
| C66 | H107 | sing | 1.09Å | 1.10Å | |
| C66 | H108 | sing | 1.09Å | 1.10Å | |
| N19 | C67 | sing | 1.46Å | 1.47Å | |
| N19 | H109 | sing | 0.97Å | 1.00Å | |
| C67 | C68 | sing | 1.51Å | 1.53Å | |
| C67 | C69 | sing | 1.53Å | 1.55Å | |
| C67 | H110 | sing | 1.09Å | 1.10Å | |
| C68 | O15 | doub | 1.21Å | 1.24Å | |
| C69 | C70 | sing | 1.53Å | 1.53Å | |
| C69 | H111 | sing | 1.09Å | 1.10Å | |
| C69 | H112 | sing | 1.09Å | 1.10Å | |
| C70 | C71 | sing | 1.53Å | 1.53Å | |
| C70 | H113 | sing | 1.09Å | 1.10Å | |
| C70 | H114 | sing | 1.09Å | 1.10Å | |
| C71 | N20 | sing | 1.46Å | 1.47Å | |
| C71 | H115 | sing | 1.09Å | 1.10Å | |
| C71 | H116 | sing | 1.09Å | 1.10Å | |
| N20 | C72 | sing | 1.37Å | 1.33Å | |
| N20 | H117 | sing | 0.97Å | 1.00Å | |
| C72 | N21 | sing | 1.33Å | 1.34Å | |
| C72 | N22 | doub | 1.33Å | 1.35Å | |
| N21 | H118 | sing | 0.97Å | 1.00Å | |
| N21 | H119 | sing | 0.97Å | 1.00Å | |
| N22 | H120 | sing | 0.97Å | 1.00Å | |
| N22 | H121 | sing | 0.97Å | 1.00Å | |
| N23 | C73 | sing | 1.47Å | 1.49Å | |
| N23 | C77 | sing | 1.47Å | 1.48Å | |
| C73 | C74 | sing | 1.51Å | 1.54Å | |
| C73 | C75 | sing | 1.54Å | 1.54Å | |
| C73 | H122 | sing | 1.09Å | 1.10Å | |
| C74 | O16 | doub | 1.21Å | 1.24Å | |
| C75 | C76 | sing | 1.55Å | 1.48Å | |
| C75 | H123 | sing | 1.09Å | 1.10Å | |
| C75 | H124 | sing | 1.09Å | 1.10Å | |
| C76 | C77 | sing | 1.55Å | 1.52Å | |
| C76 | H125 | sing | 1.09Å | 1.10Å | |
| C76 | H126 | sing | 1.09Å | 1.10Å | |
| C77 | H127 | sing | 1.09Å | 1.10Å | |
| C77 | H128 | sing | 1.09Å | 1.10Å | |
| N24 | C78 | sing | 1.47Å | 0.00Å | |
| N24 | H129 | sing | 0.97Å | 0.00Å | |
| C78 | C79 | sing | 1.51Å | 0.00Å | |
| C78 | C80 | sing | 1.53Å | 0.00Å | |
| C78 | H130 | sing | 1.09Å | 0.00Å | |
| C79 | O17 | doub | 1.21Å | 0.00Å | |
| C80 | C81 | sing | 1.53Å | 0.00Å | |
| C80 | H131 | sing | 1.09Å | 0.00Å | |
| C80 | H132 | sing | 1.09Å | 0.00Å | |
| C81 | C82 | sing | 1.53Å | 0.00Å | |
| C81 | H133 | sing | 1.09Å | 0.00Å | |
| C81 | H134 | sing | 1.09Å | 0.00Å | |
| C82 | N25 | sing | 1.46Å | 0.00Å | |
| C82 | H135 | sing | 1.09Å | 0.00Å | |
| C82 | H136 | sing | 1.09Å | 0.00Å | |
| N25 | C83 | sing | 1.37Å | 0.00Å | |
| N25 | H137 | sing | 0.97Å | 0.00Å | |
| C83 | N26 | sing | 1.33Å | 0.00Å | |
| C83 | N27 | doub | 1.33Å | 0.00Å | |
| N26 | H138 | sing | 0.97Å | 0.00Å | |
| N26 | H139 | sing | 0.97Å | 0.00Å | |
| N27 | H140 | sing | 0.97Å | 0.00Å | |
| N27 | H141 | sing | 0.97Å | 0.00Å | |
| N28 | C84 | sing | 1.47Å | 0.00Å | |
| N28 | C88 | sing | 1.47Å | 0.00Å | |
| C84 | C85 | sing | 1.51Å | 0.00Å | |
| C84 | C86 | sing | 1.54Å | 0.00Å | |
| C84 | H142 | sing | 1.09Å | 0.00Å | |
| C85 | O18 | doub | 1.21Å | 0.00Å | |
| C86 | C87 | sing | 1.55Å | 0.00Å | |
| C86 | H143 | sing | 1.09Å | 0.00Å | |
| C86 | H144 | sing | 1.09Å | 0.00Å | |
| C87 | C88 | sing | 1.55Å | 0.00Å | |
| C87 | H145 | sing | 1.09Å | 0.00Å | |
| C87 | H146 | sing | 1.09Å | 0.00Å | |
| C88 | H147 | sing | 1.09Å | 0.00Å | |
| C88 | H148 | sing | 1.09Å | 0.00Å | |
| N29 | C89 | sing | 1.47Å | 0.00Å | |
| N29 | C93 | sing | 1.47Å | 0.00Å | |
| C89 | C90 | sing | 1.51Å | 0.00Å | |
| C89 | C91 | sing | 1.54Å | 0.00Å | |
| C89 | H149 | sing | 1.09Å | 0.00Å | |
| C90 | O19 | doub | 1.21Å | 0.00Å | |
| C91 | C92 | sing | 1.55Å | 0.00Å | |
| C91 | H150 | sing | 1.09Å | 0.00Å | |
| C91 | H151 | sing | 1.09Å | 0.00Å | |
| C92 | C93 | sing | 1.55Å | 0.00Å | |
| C92 | H152 | sing | 1.09Å | 0.00Å | |
| C92 | H153 | sing | 1.09Å | 0.00Å | |
| C93 | H154 | sing | 1.09Å | 0.00Å | |
| C93 | H155 | sing | 1.09Å | 0.00Å | |
| N30 | C94 | sing | 1.46Å | 0.00Å | |
| N30 | H156 | sing | 0.97Å | 0.00Å | |
| C94 | C95 | sing | 1.51Å | 0.00Å | |
| C94 | C96 | sing | 1.53Å | 0.00Å | |
| C94 | H157 | sing | 1.09Å | 0.00Å | |
| C95 | O20 | doub | 1.21Å | 0.00Å | |
| C96 | C97 | sing | 1.53Å | 0.00Å | |
| C96 | H158 | sing | 1.09Å | 0.00Å | |
| C96 | H159 | sing | 1.09Å | 0.00Å | |
| C97 | C98 | sing | 1.53Å | 0.00Å | |
| C97 | H160 | sing | 1.09Å | 0.00Å | |
| C97 | H161 | sing | 1.09Å | 0.00Å | |
| C98 | N31 | sing | 1.46Å | 0.00Å | |
| C98 | H162 | sing | 1.09Å | 0.00Å | |
| C98 | H163 | sing | 1.09Å | 0.00Å | |
| N31 | C99 | sing | 1.37Å | 0.00Å | |
| N31 | H164 | sing | 0.97Å | 0.00Å | |
| C99 | N32 | sing | 1.33Å | 0.00Å | |
| C99 | N33 | doub | 1.33Å | 0.00Å | |
| N32 | H165 | sing | 0.97Å | 0.00Å | |
| N32 | H166 | sing | 0.97Å | 0.00Å | |
| N33 | H167 | sing | 0.97Å | 0.00Å | |
| N33 | H168 | sing | 0.97Å | 0.00Å | |
| N34 | C100 | sing | 1.47Å | 0.00Å | |
| N34 | C104 | sing | 1.47Å | 0.00Å | |
| C100 | C101 | sing | 1.51Å | 0.00Å | |
| C100 | C102 | sing | 1.54Å | 0.00Å | |
| C100 | H169 | sing | 1.09Å | 0.00Å | |
| C101 | O21 | doub | 1.21Å | 0.00Å | |
| C102 | C103 | sing | 1.55Å | 0.00Å | |
| C102 | H170 | sing | 1.09Å | 0.00Å | |
| C102 | H171 | sing | 1.09Å | 0.00Å | |
| C103 | C104 | sing | 1.55Å | 0.00Å | |
| C103 | H172 | sing | 1.09Å | 0.00Å | |
| C103 | H173 | sing | 1.09Å | 0.00Å | |
| C104 | H174 | sing | 1.09Å | 0.00Å | |
| C104 | H175 | sing | 1.09Å | 0.00Å | |
| N35 | C105 | sing | 1.47Å | 0.00Å | |
| N35 | H176 | sing | 0.97Å | 0.00Å | |
| C105 | C106 | sing | 1.51Å | 0.00Å | |
| C105 | C107 | sing | 1.53Å | 0.00Å | |
| C105 | H177 | sing | 1.09Å | 0.00Å | |
| C106 | O22 | doub | 1.21Å | 0.00Å | |
| C107 | C108 | sing | 1.53Å | 0.00Å | |
| C107 | C109 | sing | 1.53Å | 0.00Å | |
| C107 | H178 | sing | 1.09Å | 0.00Å | |
| C108 | H179 | sing | 1.09Å | 0.00Å | |
| C108 | H180 | sing | 1.09Å | 0.00Å | |
| C108 | H181 | sing | 1.09Å | 0.00Å | |
| C109 | H182 | sing | 1.09Å | 0.00Å | |
| C109 | H183 | sing | 1.09Å | 0.00Å | |
| C109 | H184 | sing | 1.09Å | 0.00Å | |
| N36 | C110 | sing | 1.46Å | 0.00Å | |
| N36 | H185 | sing | 0.97Å | 0.00Å | |
| C110 | C111 | sing | 1.51Å | 0.00Å | |
| C110 | C112 | sing | 1.53Å | 0.00Å | |
| C110 | H186 | sing | 1.09Å | 0.00Å | |
| C111 | O23 | doub | 1.21Å | 0.00Å | |
| C111 | O24 | sing | 1.34Å | 0.00Å | |
| C112 | C113 | sing | 1.53Å | 0.00Å | |
| C112 | H187 | sing | 1.09Å | 0.00Å | |
| C112 | H188 | sing | 1.09Å | 0.00Å | |
| C113 | C114 | sing | 1.53Å | 0.00Å | |
| C113 | H189 | sing | 1.09Å | 0.00Å | |
| C113 | H190 | sing | 1.09Å | 0.00Å | |
| C114 | N37 | sing | 1.46Å | 0.00Å | |
| C114 | H191 | sing | 1.09Å | 0.00Å | |
| C114 | H192 | sing | 1.09Å | 0.00Å | |
| N37 | C115 | sing | 1.37Å | 0.00Å | |
| N37 | H193 | sing | 0.97Å | 0.00Å | |
| C115 | N38 | sing | 1.33Å | 0.00Å | |
| C115 | N39 | doub | 1.33Å | 0.00Å | |
| N38 | H194 | sing | 0.97Å | 0.00Å | |
| N38 | H195 | sing | 0.97Å | 0.00Å | |
| N39 | H196 | sing | 0.97Å | 0.00Å | |
| N39 | H197 | sing | 0.97Å | 0.00Å | |
| O24 | H198 | sing | 0.97Å | 0.00Å | |
| C2 | N2 | sing | 1.35Å | 0.00Å | |
| C11 | N6 | sing | 1.35Å | 0.00Å | |
| C17 | N7 | sing | 1.35Å | 0.00Å | |
| C22 | N8 | sing | 1.35Å | 0.00Å | |
| C26 | N10 | sing | 1.35Å | 0.00Å | |
| C32 | N11 | sing | 1.35Å | 59.19Å | |
| C37 | N15 | sing | 1.35Å | 1.35Å | |
| C43 | N16 | sing | 1.35Å | 1.32Å | |
| C48 | N17 | sing | 1.35Å | 1.30Å | |
| C57 | N18 | sing | 1.35Å | 1.35Å | |
| C63 | N19 | sing | 1.35Å | 1.34Å | |
| C68 | N23 | sing | 1.35Å | 1.34Å | |
| C74 | N24 | sing | 1.35Å | 52.41Å | |
| C79 | N28 | sing | 1.35Å | 0.00Å | |
| C85 | N29 | sing | 1.35Å | 0.00Å | |
| C90 | N30 | sing | 1.35Å | 0.00Å | |
| C95 | N34 | sing | 1.35Å | 0.00Å | |
| C101 | N35 | sing | 1.35Å | 0.00Å | |
| C106 | N36 | sing | 1.35Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 90.0° | 111.0° |
| C1 | N1 | H2 | 90.0° | 111.0° |
| N1 | C1 | C2 | 90.0° | 109.4° |
| N1 | C1 | C3 | 90.0° | 109.5° |
| N1 | C1 | H3 | 90.0° | 109.5° |
| H1 | N1 | H2 | 90.0° | 111.0° |
| C2 | C1 | C3 | 90.0° | 109.5° |
| C2 | C1 | H3 | 90.0° | 109.5° |
| C1 | C2 | O1 | 90.0° | 120.0° |
| C1 | C2 | N2 | 90.0° | 120.0° |
| C3 | C1 | H3 | 90.0° | 109.4° |
| C1 | C3 | C4 | 90.0° | 109.5° |
| C1 | C3 | H4 | 90.0° | 109.5° |
| C1 | C3 | H5 | 90.0° | 109.5° |
| O1 | C2 | N2 | 90.0° | 120.0° |
| C4 | C3 | H4 | 90.0° | 109.5° |
| C4 | C3 | H5 | 90.0° | 109.4° |
| C3 | C4 | C5 | 90.0° | 109.4° |
| C3 | C4 | C9 | 90.0° | 109.5° |
| C3 | C4 | H6 | 90.0° | 109.5° |
| H4 | C3 | H5 | 90.0° | 109.5° |
| C5 | C4 | C9 | 90.0° | 109.5° |
| C5 | C4 | H6 | 90.0° | 109.5° |
| C4 | C5 | C6 | 90.0° | 109.4° |
| C4 | C5 | H7 | 90.0° | 109.5° |
| C4 | C5 | H8 | 90.0° | 109.5° |
| C9 | C4 | H6 | 90.0° | 109.5° |
| C4 | C9 | C8 | 90.0° | 109.5° |
| C4 | C9 | H15 | 90.0° | 109.5° |
| C4 | C9 | H16 | 90.0° | 109.5° |
| C6 | C5 | H7 | 90.0° | 109.5° |
| C6 | C5 | H8 | 90.0° | 109.5° |
| C5 | C6 | C7 | 90.0° | 109.5° |
| C5 | C6 | H9 | 90.0° | 109.5° |
| C5 | C6 | H10 | 90.0° | 109.4° |
| H7 | C5 | H8 | 90.0° | 109.6° |
| C7 | C6 | H9 | 90.0° | 109.5° |
| C7 | C6 | H10 | 90.0° | 109.5° |
| C6 | C7 | C8 | 90.0° | 109.5° |
| C6 | C7 | H11 | 90.0° | 109.5° |
| C6 | C7 | H12 | 90.0° | 109.5° |
| H9 | C6 | H10 | 90.0° | 109.4° |
| C8 | C7 | H11 | 90.0° | 109.5° |
| C8 | C7 | H12 | 90.0° | 109.5° |
| C7 | C8 | C9 | 90.0° | 109.5° |
| C7 | C8 | H13 | 90.0° | 109.5° |
| C7 | C8 | H14 | 90.0° | 109.4° |
| H11 | C7 | H12 | 90.0° | 109.4° |
| C9 | C8 | H13 | 90.0° | 109.5° |
| C9 | C8 | H14 | 90.0° | 109.5° |
| C8 | C9 | H15 | 90.0° | 109.5° |
| C8 | C9 | H16 | 90.0° | 109.5° |
| H13 | C8 | H14 | 90.0° | 109.5° |
| H15 | C9 | H16 | 90.0° | 109.5° |
| C10 | N2 | H17 | 90.0° | 120.0° |
| N2 | C10 | C11 | 90.0° | 109.5° |
| N2 | C10 | C12 | 90.0° | 109.5° |
| N2 | C10 | H18 | 90.0° | 109.4° |
| C10 | N2 | C2 | 90.0° | 120.0° |
| H17 | N2 | C2 | 90.0° | 120.1° |
| C11 | C10 | C12 | 90.0° | 109.5° |
| C11 | C10 | H18 | 90.0° | 109.5° |
| C10 | C11 | O2 | 90.0° | 120.0° |
| C10 | C11 | N6 | 90.0° | 119.9° |
| C12 | C10 | H18 | 90.0° | 109.5° |
| C10 | C12 | C13 | 90.0° | 109.5° |
| C10 | C12 | H19 | 90.0° | 109.5° |
| C10 | C12 | H20 | 90.0° | 109.4° |
| O2 | C11 | N6 | 90.0° | 120.1° |
| C13 | C12 | H19 | 90.0° | 109.5° |
| C13 | C12 | H20 | 90.0° | 109.5° |
| C12 | C13 | C14 | 90.0° | 109.4° |
| C12 | C13 | H21 | 90.0° | 109.5° |
| C12 | C13 | H22 | 90.0° | 109.5° |
| H19 | C12 | H20 | 90.0° | 109.5° |
| C14 | C13 | H21 | 90.0° | 109.5° |
| C14 | C13 | H22 | 90.0° | 109.4° |
| C13 | C14 | N3 | 90.0° | 109.4° |
| C13 | C14 | H23 | 90.0° | 109.5° |
| C13 | C14 | H24 | 90.0° | 109.5° |
| H21 | C13 | H22 | 90.0° | 109.5° |
| N3 | C14 | H23 | 90.0° | 109.5° |
| N3 | C14 | H24 | 90.0° | 109.5° |
| C14 | N3 | C15 | 90.0° | 120.0° |
| C14 | N3 | H25 | 90.0° | 120.1° |
| H23 | C14 | H24 | 90.0° | 109.5° |
| C15 | N3 | H25 | 90.0° | 120.0° |
| N3 | C15 | N4 | 90.0° | 120.0° |
| N3 | C15 | N5 | 90.0° | 120.0° |
| N4 | C15 | N5 | 90.0° | 120.0° |
| C15 | N4 | H26 | 90.0° | 120.0° |
| C15 | N4 | H27 | 90.0° | 120.0° |
| C15 | N5 | H28 | 90.0° | 120.0° |
| C15 | N5 | H29 | 90.0° | 120.0° |
| H26 | N4 | H27 | 90.0° | 119.9° |
| H28 | N5 | H29 | 90.0° | 120.0° |
| C16 | N6 | C20 | 90.0° | 108.7° |
| N6 | C16 | C17 | 90.0° | 109.9° |
| N6 | C16 | C18 | 90.0° | 107.2° |
| N6 | C16 | H30 | 90.0° | 110.0° |
| C16 | N6 | C11 | 90.0° | 125.6° |
| N6 | C20 | C19 | 90.0° | 104.8° |
| N6 | C20 | H35 | 90.0° | 110.4° |
| N6 | C20 | H36 | 90.0° | 110.4° |
| C20 | N6 | C11 | 90.0° | 125.7° |
| C17 | C16 | C18 | 90.0° | 109.8° |
| C17 | C16 | H30 | 90.0° | 109.9° |
| C16 | C17 | O3 | 90.0° | 120.0° |
| C16 | C17 | N7 | 90.0° | 120.0° |
| C18 | C16 | H30 | 90.0° | 110.0° |
| C16 | C18 | C19 | 90.0° | 102.9° |
| C16 | C18 | H31 | 90.0° | 110.7° |
| C16 | C18 | H32 | 90.0° | 110.7° |
| O3 | C17 | N7 | 90.0° | 120.0° |
| C19 | C18 | H31 | 90.0° | 110.8° |
| C19 | C18 | H32 | 90.0° | 110.7° |
| C18 | C19 | C20 | 90.0° | 101.5° |
| C18 | C19 | H33 | 90.0° | 111.0° |
| C18 | C19 | H34 | 90.0° | 111.0° |
| H31 | C18 | H32 | 90.0° | 110.8° |
| C20 | C19 | H33 | 90.0° | 111.2° |
| C20 | C19 | H34 | 90.0° | 110.9° |
| C19 | C20 | H35 | 90.0° | 110.5° |
| C19 | C20 | H36 | 90.0° | 110.3° |
| H33 | C19 | H34 | 90.0° | 111.0° |
| H35 | C20 | H36 | 90.0° | 110.4° |
| C21 | N7 | H37 | 90.0° | 120.0° |
| N7 | C21 | C22 | 90.0° | 109.4° |
| N7 | C21 | C23 | 90.0° | 109.5° |
| N7 | C21 | H38 | 90.0° | 109.5° |
| C21 | N7 | C17 | 90.0° | 120.0° |
| H37 | N7 | C17 | 90.0° | 120.0° |
| C22 | C21 | C23 | 90.0° | 109.4° |
| C22 | C21 | H38 | 90.0° | 109.5° |
| C21 | C22 | O4 | 90.0° | 120.0° |
| C21 | C22 | N8 | 90.0° | 120.0° |
| C23 | C21 | H38 | 90.0° | 109.5° |
| C21 | C23 | C24 | 90.0° | 109.4° |
| C21 | C23 | H39 | 90.0° | 109.5° |
| C21 | C23 | H40 | 90.0° | 109.5° |
| O4 | C22 | N8 | 90.0° | 120.0° |
| C24 | C23 | H39 | 90.0° | 109.4° |
| C24 | C23 | H40 | 90.0° | 109.5° |
| C23 | C24 | O5 | 90.0° | 120.0° |
| C23 | C24 | O6 | 90.0° | 120.0° |
| H39 | C23 | H40 | 90.0° | 109.5° |
| O5 | C24 | O6 | 90.0° | 120.0° |
| C24 | O6 | H41 | 90.0° | 117.0° |
| C25 | N8 | H42 | 90.0° | 120.0° |
| N8 | C25 | C26 | 90.0° | 109.5° |
| N8 | C25 | C27 | 90.0° | 109.5° |
| N8 | C25 | H43 | 90.0° | 109.4° |
| C25 | N8 | C22 | 90.0° | 120.0° |
| H42 | N8 | C22 | 90.0° | 120.0° |
| C26 | C25 | C27 | 90.0° | 109.5° |
| C26 | C25 | H43 | 90.0° | 109.5° |
| C25 | C26 | O7 | 90.0° | 120.0° |
| C25 | C26 | N10 | 90.0° | 120.0° |
| C27 | C25 | H43 | 90.0° | 109.5° |
| C25 | C27 | C28 | 90.0° | 109.5° |
| C25 | C27 | H44 | 90.0° | 109.5° |
| C25 | C27 | H45 | 90.0° | 109.5° |
| O7 | C26 | N10 | 90.0° | 120.1° |
| C28 | C27 | H44 | 90.0° | 109.4° |
| C28 | C27 | H45 | 90.0° | 109.4° |
| C27 | C28 | C29 | 90.0° | 109.5° |
| C27 | C28 | H46 | 90.0° | 109.5° |
| C27 | C28 | H47 | 90.0° | 109.5° |
| H44 | C27 | H45 | 90.0° | 109.4° |
| C29 | C28 | H46 | 90.0° | 109.4° |
| C29 | C28 | H47 | 90.0° | 109.4° |
| C28 | C29 | C30 | 90.0° | 109.5° |
| C28 | C29 | H48 | 90.0° | 109.4° |
| C28 | C29 | H49 | 90.0° | 109.4° |
| H46 | C28 | H47 | 90.0° | 109.5° |
| C30 | C29 | H48 | 90.0° | 109.5° |
| C30 | C29 | H49 | 90.0° | 109.5° |
| C29 | C30 | N9 | 90.0° | 109.5° |
| C29 | C30 | H50 | 90.0° | 109.5° |
| C29 | C30 | H51 | 90.0° | 109.5° |
| H48 | C29 | H49 | 90.0° | 109.4° |
| N9 | C30 | H50 | 90.0° | 109.5° |
| N9 | C30 | H51 | 90.0° | 109.5° |
| C30 | N9 | H52 | 90.0° | 109.5° |
| C30 | N9 | H53 | 90.0° | 109.5° |
| C30 | N9 | H54 | 90.0° | 109.5° |
| H50 | C30 | H51 | 90.0° | 109.4° |
| H52 | N9 | H53 | 90.0° | 109.4° |
| H52 | N9 | H54 | 90.0° | 109.5° |
| H53 | N9 | H54 | 90.0° | 109.5° |
| C31 | N10 | C35 | 90.0° | 108.7° |
| N10 | C31 | C32 | 90.0° | 109.9° |
| N10 | C31 | C33 | 90.0° | 107.3° |
| N10 | C31 | H55 | 90.0° | 109.9° |
| C31 | N10 | C26 | 90.0° | 125.6° |
| N10 | C35 | C34 | 90.0° | 104.7° |
| N10 | C35 | H60 | 90.0° | 110.4° |
| N10 | C35 | H61 | 90.0° | 110.4° |
| C35 | N10 | C26 | 90.0° | 125.7° |
| C32 | C31 | C33 | 90.0° | 109.9° |
| C32 | C31 | H55 | 90.0° | 109.9° |
| C31 | C32 | O8 | 90.0° | 120.0° |
| C31 | C32 | N11 | 90.0° | 120.0° |
| C33 | C31 | H55 | 90.0° | 110.0° |
| C31 | C33 | C34 | 90.0° | 102.9° |
| C31 | C33 | H56 | 90.0° | 110.7° |
| C31 | C33 | H57 | 90.0° | 110.7° |
| O8 | C32 | N11 | 90.0° | 120.0° |
| C34 | C33 | H56 | 90.0° | 110.8° |
| C34 | C33 | H57 | 90.0° | 110.7° |
| C33 | C34 | C35 | 90.0° | 101.5° |
| C33 | C34 | H58 | 90.0° | 111.0° |
| C33 | C34 | H59 | 90.0° | 110.9° |
| H56 | C33 | H57 | 90.0° | 110.8° |
| C35 | C34 | H58 | 90.0° | 111.2° |
| C35 | C34 | H59 | 90.0° | 110.9° |
| C34 | C35 | H60 | 90.0° | 110.5° |
| C34 | C35 | H61 | 90.0° | 110.3° |
| H58 | C34 | H59 | 90.0° | 110.9° |
| H60 | C35 | H61 | 90.0° | 110.4° |
| C36 | N11 | H62 | 135.7° | 119.9° |
| N11 | C36 | C37 | 109.1° | 109.5° |
| N11 | C36 | C38 | 111.6° | 109.4° |
| N11 | C36 | H63 | 108.8° | 109.5° |
| C36 | N11 | C32 | 88.5° | 120.0° |
| H62 | N11 | C32 | 135.7° | 120.1° |
| C37 | C36 | C38 | 110.8° | 109.5° |
| C37 | C36 | H63 | 108.3° | 109.5° |
| C36 | C37 | O9 | 120.8° | 120.0° |
| C36 | C37 | N15 | 117.4° | 120.0° |
| C38 | C36 | H63 | 108.2° | 109.4° |
| C36 | C38 | C39 | 112.7° | 109.5° |
| C36 | C38 | H64 | 108.7° | 109.4° |
| C36 | C38 | H65 | 108.7° | 109.4° |
| O9 | C37 | N15 | 121.8° | 120.0° |
| C39 | C38 | H64 | 108.7° | 109.5° |
| C39 | C38 | H65 | 108.7° | 109.5° |
| C38 | C39 | C40 | 108.3° | 109.5° |
| C38 | C39 | H66 | 109.8° | 109.5° |
| C38 | C39 | H67 | 109.8° | 109.5° |
| H64 | C38 | H65 | 109.4° | 109.4° |
| C40 | C39 | H66 | 109.7° | 109.5° |
| C40 | C39 | H67 | 109.7° | 109.4° |
| C39 | C40 | N12 | 113.1° | 109.5° |
| C39 | C40 | H68 | 108.5° | 109.5° |
| C39 | C40 | H69 | 108.5° | 109.5° |
| H66 | C39 | H67 | 109.5° | 109.5° |
| N12 | C40 | H68 | 108.6° | 109.5° |
| N12 | C40 | H69 | 108.5° | 109.5° |
| C40 | N12 | C41 | 125.1° | 120.0° |
| C40 | N12 | H70 | 117.4° | 120.0° |
| H68 | C40 | H69 | 109.5° | 109.4° |
| C41 | N12 | H70 | 117.4° | 120.0° |
| N12 | C41 | N13 | 119.3° | 120.0° |
| N12 | C41 | N14 | 121.6° | 120.0° |
| N13 | C41 | N14 | 119.1° | 120.0° |
| C41 | N13 | H71 | 120.0° | 120.0° |
| C41 | N13 | H72 | 120.0° | 120.0° |
| C41 | N14 | H73 | 120.0° | 120.0° |
| C41 | N14 | H74 | 120.0° | 120.0° |
| H71 | N13 | H72 | 120.0° | 120.0° |
| H73 | N14 | H74 | 119.9° | 120.0° |
| C42 | N15 | C46 | 110.9° | 108.7° |
| N15 | C42 | C43 | 107.5° | 109.9° |
| N15 | C42 | C44 | 104.5° | 107.3° |
| N15 | C42 | H75 | 110.4° | 109.9° |
| C42 | N15 | C37 | 105.1° | 125.7° |
| N15 | C46 | C45 | 100.7° | 104.7° |
| N15 | C46 | H80 | 111.6° | 110.4° |
| N15 | C46 | H81 | 111.6° | 110.3° |
| C46 | N15 | C37 | 138.6° | 125.7° |
| C43 | C42 | C44 | 115.3° | 109.9° |
| C43 | C42 | H75 | 109.9° | 109.9° |
| C42 | C43 | O10 | 121.7° | 120.0° |
| C42 | C43 | N16 | 114.5° | 120.0° |
| C44 | C42 | H75 | 109.1° | 110.0° |
| C42 | C44 | C45 | 104.0° | 102.9° |
| C42 | C44 | H76 | 110.8° | 110.8° |
| C42 | C44 | H77 | 110.8° | 110.7° |
| O10 | C43 | N16 | 123.4° | 120.0° |
| C45 | C44 | H76 | 110.8° | 110.7° |
| C45 | C44 | H77 | 110.8° | 110.7° |
| C44 | C45 | C46 | 104.6° | 101.5° |
| C44 | C45 | H78 | 110.7° | 111.0° |
| C44 | C45 | H79 | 110.7° | 111.0° |
| H76 | C44 | H77 | 109.5° | 110.8° |
| C46 | C45 | H78 | 110.7° | 111.2° |
| C46 | C45 | H79 | 110.7° | 110.9° |
| C45 | C46 | H80 | 111.6° | 110.5° |
| C45 | C46 | H81 | 111.6° | 110.3° |
| H78 | C45 | H79 | 109.5° | 110.9° |
| H80 | C46 | H81 | 109.5° | 110.4° |
| C47 | N16 | H82 | 120.7° | 120.0° |
| N16 | C47 | C48 | 111.0° | 109.5° |
| N16 | C47 | C49 | 109.6° | 109.5° |
| N16 | C47 | H83 | 109.9° | 109.5° |
| C47 | N16 | C43 | 118.6° | 120.0° |
| H82 | N16 | C43 | 120.7° | 120.1° |
| C48 | C47 | C49 | 108.1° | 109.5° |
| C48 | C47 | H83 | 109.2° | 109.5° |
| C47 | C48 | O11 | 123.0° | 120.0° |
| C47 | C48 | N17 | 115.2° | 120.0° |
| C49 | C47 | H83 | 109.0° | 109.4° |
| C47 | C49 | C50 | 113.9° | 109.5° |
| C47 | C49 | H84 | 108.3° | 109.4° |
| C47 | C49 | H85 | 108.3° | 109.4° |
| O11 | C48 | N17 | 121.8° | 120.0° |
| C50 | C49 | H84 | 108.4° | 109.5° |
| C50 | C49 | H85 | 108.4° | 109.5° |
| C49 | C50 | C51 | 121.5° | 119.9° |
| C49 | C50 | C52 | 119.1° | 120.0° |
| H84 | C49 | H85 | 109.5° | 109.5° |
| C51 | C50 | C52 | 119.3° | 120.1° |
| C50 | C51 | C53 | 120.5° | 120.1° |
| C50 | C51 | H86 | 119.7° | 120.0° |
| C50 | C52 | C54 | 121.4° | 120.1° |
| C50 | C52 | H87 | 119.3° | 119.9° |
| C53 | C51 | H86 | 119.7° | 119.9° |
| C51 | C53 | C55 | 118.6° | 120.0° |
| C51 | C53 | H88 | 120.7° | 120.0° |
| C54 | C52 | H87 | 119.3° | 120.0° |
| C52 | C54 | C55 | 120.0° | 119.9° |
| C52 | C54 | H89 | 120.0° | 120.0° |
| C55 | C53 | H88 | 120.7° | 120.0° |
| C53 | C55 | C54 | 120.1° | 119.9° |
| C53 | C55 | O12 | 121.8° | 120.1° |
| C55 | C54 | H89 | 120.0° | 120.1° |
| C54 | C55 | O12 | 118.1° | 120.0° |
| C55 | O12 | H90 | 109.5° | 114.0° |
| C56 | N17 | H91 | 121.1° | 120.0° |
| N17 | C56 | C57 | 113.6° | 109.5° |
| N17 | C56 | C58 | 111.0° | 109.5° |
| N17 | C56 | H92 | 107.9° | 109.5° |
| C56 | N17 | C48 | 117.8° | 120.0° |
| H91 | N17 | C48 | 121.1° | 120.0° |
| C57 | C56 | C58 | 109.7° | 109.4° |
| C57 | C56 | H92 | 107.0° | 109.5° |
| C56 | C57 | O13 | 121.4° | 120.0° |
| C56 | C57 | N18 | 117.4° | 120.0° |
| C58 | C56 | H92 | 107.2° | 109.5° |
| C56 | C58 | C59 | 109.1° | 109.5° |
| C56 | C58 | H93 | 109.5° | 109.5° |
| C56 | C58 | H94 | 109.5° | 109.5° |
| O13 | C57 | N18 | 121.1° | 120.0° |
| C59 | C58 | H93 | 109.5° | 109.5° |
| C59 | C58 | H94 | 109.6° | 109.4° |
| C58 | C59 | C60 | 110.9° | 109.5° |
| C58 | C59 | C61 | 108.8° | 109.5° |
| C58 | C59 | H95 | 109.0° | 109.4° |
| H93 | C58 | H94 | 109.5° | 109.5° |
| C60 | C59 | C61 | 110.2° | 109.4° |
| C60 | C59 | H95 | 108.8° | 109.5° |
| C59 | C60 | H96 | 109.5° | 109.5° |
| C59 | C60 | H97 | 109.5° | 109.5° |
| C59 | C60 | H98 | 109.5° | 109.4° |
| C61 | C59 | H95 | 109.0° | 109.5° |
| C59 | C61 | H99 | 109.5° | 109.4° |
| C59 | C61 | H100 | 109.5° | 109.5° |
| C59 | C61 | H101 | 109.5° | 109.5° |
| H96 | C60 | H97 | 109.4° | 109.5° |
| H96 | C60 | H98 | 109.5° | 109.5° |
| H97 | C60 | H98 | 109.5° | 109.5° |
| H99 | C61 | H100 | 109.5° | 109.5° |
| H99 | C61 | H101 | 109.5° | 109.5° |
| H100 | C61 | H101 | 109.4° | 109.5° |
| C62 | N18 | C66 | 113.1° | 108.7° |
| N18 | C62 | C63 | 113.0° | 109.9° |
| N18 | C62 | C64 | 103.5° | 107.3° |
| N18 | C62 | H102 | 110.7° | 109.9° |
| C62 | N18 | C57 | 116.2° | 125.6° |
| N18 | C66 | C65 | 102.9° | 104.7° |
| N18 | C66 | H107 | 111.1° | 110.4° |
| N18 | C66 | H108 | 111.1° | 110.4° |
| C66 | N18 | C57 | 129.7° | 125.6° |
| C63 | C62 | C64 | 110.8° | 109.8° |
| C63 | C62 | H102 | 109.4° | 109.9° |
| C62 | C63 | O14 | 120.9° | 120.0° |
| C62 | C63 | N19 | 115.1° | 120.0° |
| C64 | C62 | H102 | 109.3° | 110.0° |
| C62 | C64 | C65 | 103.4° | 102.9° |
| C62 | C64 | H103 | 110.9° | 110.8° |
| C62 | C64 | H104 | 110.9° | 110.7° |
| O14 | C63 | N19 | 124.0° | 120.0° |
| C65 | C64 | H103 | 111.0° | 110.7° |
| C65 | C64 | H104 | 110.9° | 110.7° |
| C64 | C65 | C66 | 104.9° | 101.5° |
| C64 | C65 | H105 | 110.6° | 111.0° |
| C64 | C65 | H106 | 110.6° | 111.0° |
| H103 | C64 | H104 | 109.5° | 110.8° |
| C66 | C65 | H105 | 110.6° | 111.2° |
| C66 | C65 | H106 | 110.6° | 111.0° |
| C65 | C66 | H107 | 111.1° | 110.5° |
| C65 | C66 | H108 | 111.1° | 110.3° |
| H105 | C65 | H106 | 109.4° | 110.9° |
| H107 | C66 | H108 | 109.5° | 110.4° |
| C67 | N19 | H109 | 119.2° | 120.1° |
| N19 | C67 | C68 | 106.8° | 109.4° |
| N19 | C67 | C69 | 109.7° | 109.5° |
| N19 | C67 | H110 | 109.4° | 109.5° |
| C67 | N19 | C63 | 121.5° | 120.0° |
| H109 | N19 | C63 | 119.2° | 120.0° |
| C68 | C67 | C69 | 113.9° | 109.5° |
| C68 | C67 | H110 | 108.6° | 109.5° |
| C67 | C68 | O15 | 119.5° | 120.0° |
| C67 | C68 | N23 | 118.1° | 120.0° |
| C69 | C67 | H110 | 108.3° | 109.5° |
| C67 | C69 | C70 | 113.2° | 109.4° |
| C67 | C69 | H111 | 108.5° | 109.5° |
| C67 | C69 | H112 | 108.5° | 109.5° |
| O15 | C68 | N23 | 122.1° | 120.0° |
| C70 | C69 | H111 | 108.5° | 109.5° |
| C70 | C69 | H112 | 108.5° | 109.5° |
| C69 | C70 | C71 | 109.3° | 109.5° |
| C69 | C70 | H113 | 109.5° | 109.5° |
| C69 | C70 | H114 | 109.5° | 109.5° |
| H111 | C69 | H112 | 109.5° | 109.5° |
| C71 | C70 | H113 | 109.5° | 109.4° |
| C71 | C70 | H114 | 109.5° | 109.4° |
| C70 | C71 | N20 | 112.2° | 109.5° |
| C70 | C71 | H115 | 108.8° | 109.5° |
| C70 | C71 | H116 | 108.8° | 109.4° |
| H113 | C70 | H114 | 109.5° | 109.5° |
| N20 | C71 | H115 | 108.8° | 109.5° |
| N20 | C71 | H116 | 108.8° | 109.5° |
| C71 | N20 | C72 | 125.9° | 120.0° |
| C71 | N20 | H117 | 117.1° | 120.0° |
| H115 | C71 | H116 | 109.5° | 109.5° |
| C72 | N20 | H117 | 117.1° | 120.0° |
| N20 | C72 | N21 | 120.6° | 120.0° |
| N20 | C72 | N22 | 119.5° | 120.0° |
| N21 | C72 | N22 | 119.9° | 120.0° |
| C72 | N21 | H118 | 120.0° | 120.0° |
| C72 | N21 | H119 | 120.0° | 120.0° |
| C72 | N22 | H120 | 120.0° | 120.0° |
| C72 | N22 | H121 | 120.0° | 120.0° |
| H118 | N21 | H119 | 120.0° | 120.0° |
| H120 | N22 | H121 | 120.0° | 120.0° |
| C73 | N23 | C77 | 112.4° | 108.7° |
| N23 | C73 | C74 | 111.9° | 109.9° |
| N23 | C73 | C75 | 103.2° | 107.3° |
| N23 | C73 | H122 | 111.6° | 109.9° |
| C73 | N23 | C68 | 120.2° | 125.7° |
| N23 | C77 | C76 | 102.1° | 104.7° |
| N23 | C77 | H127 | 111.3° | 110.4° |
| N23 | C77 | H128 | 111.3° | 110.4° |
| C77 | N23 | C68 | 126.9° | 125.6° |
| C74 | C73 | C75 | 108.3° | 109.9° |
| C74 | C73 | H122 | 110.8° | 109.9° |
| C73 | C74 | O16 | 117.9° | 120.0° |
| C73 | C74 | N24 | 147.2° | 120.0° |
| C75 | C73 | H122 | 110.8° | 110.0° |
| C73 | C75 | C76 | 104.7° | 102.9° |
| C73 | C75 | H123 | 110.6° | 110.7° |
| C73 | C75 | H124 | 110.6° | 110.7° |
| O16 | C74 | N24 | 59.8° | 120.0° |
| C76 | C75 | H123 | 110.7° | 110.7° |
| C76 | C75 | H124 | 110.6° | 110.7° |
| C75 | C76 | C77 | 107.2° | 101.5° |
| C75 | C76 | H125 | 110.0° | 111.0° |
| C75 | C76 | H126 | 110.0° | 111.0° |
| H123 | C75 | H124 | 109.5° | 110.8° |
| C77 | C76 | H125 | 110.0° | 111.1° |
| C77 | C76 | H126 | 110.0° | 110.9° |
| C76 | C77 | H127 | 111.3° | 110.5° |
| C76 | C77 | H128 | 111.3° | 110.3° |
| H125 | C76 | H126 | 109.5° | 111.0° |
| H127 | C77 | H128 | 109.4° | 110.4° |
| C78 | N24 | H129 | 90.0° | 120.0° |
| N24 | C78 | C79 | 90.0° | 109.5° |
| N24 | C78 | C80 | 90.0° | 109.5° |
| N24 | C78 | H130 | 90.0° | 109.4° |
| C78 | N24 | C74 | 90.0° | 120.0° |
| H129 | N24 | C74 | 90.0° | 120.0° |
| C79 | C78 | C80 | 90.0° | 109.5° |
| C79 | C78 | H130 | 90.0° | 109.5° |
| C78 | C79 | O17 | 90.0° | 120.0° |
| C78 | C79 | N28 | 90.0° | 120.0° |
| C80 | C78 | H130 | 90.0° | 109.5° |
| C78 | C80 | C81 | 90.0° | 109.5° |
| C78 | C80 | H131 | 90.0° | 109.5° |
| C78 | C80 | H132 | 90.0° | 109.5° |
| O17 | C79 | N28 | 90.0° | 120.0° |
| C81 | C80 | H131 | 90.0° | 109.5° |
| C81 | C80 | H132 | 90.0° | 109.5° |
| C80 | C81 | C82 | 90.0° | 109.5° |
| C80 | C81 | H133 | 90.0° | 109.5° |
| C80 | C81 | H134 | 90.0° | 109.4° |
| H131 | C80 | H132 | 90.0° | 109.4° |
| C82 | C81 | H133 | 90.0° | 109.5° |
| C82 | C81 | H134 | 90.0° | 109.4° |
| C81 | C82 | N25 | 90.0° | 109.5° |
| C81 | C82 | H135 | 90.0° | 109.5° |
| C81 | C82 | H136 | 90.0° | 109.4° |
| H133 | C81 | H134 | 90.0° | 109.5° |
| N25 | C82 | H135 | 90.0° | 109.5° |
| N25 | C82 | H136 | 90.0° | 109.4° |
| C82 | N25 | C83 | 90.0° | 120.0° |
| C82 | N25 | H137 | 90.0° | 120.0° |
| H135 | C82 | H136 | 90.0° | 109.5° |
| C83 | N25 | H137 | 90.0° | 120.0° |
| N25 | C83 | N26 | 90.0° | 119.9° |
| N25 | C83 | N27 | 90.0° | 120.0° |
| N26 | C83 | N27 | 90.0° | 120.1° |
| C83 | N26 | H138 | 90.0° | 120.0° |
| C83 | N26 | H139 | 90.0° | 120.0° |
| C83 | N27 | H140 | 90.0° | 120.0° |
| C83 | N27 | H141 | 90.0° | 120.0° |
| H138 | N26 | H139 | 90.0° | 120.0° |
| H140 | N27 | H141 | 90.0° | 120.0° |
| C84 | N28 | C88 | 90.0° | 108.7° |
| N28 | C84 | C85 | 90.0° | 109.9° |
| N28 | C84 | C86 | 90.0° | 107.2° |
| N28 | C84 | H142 | 90.0° | 109.9° |
| C84 | N28 | C79 | 90.0° | 125.6° |
| N28 | C88 | C87 | 90.0° | 104.7° |
| N28 | C88 | H147 | 90.0° | 110.4° |
| N28 | C88 | H148 | 90.0° | 110.3° |
| C88 | N28 | C79 | 90.0° | 125.6° |
| C85 | C84 | C86 | 90.0° | 109.9° |
| C85 | C84 | H142 | 90.0° | 109.9° |
| C84 | C85 | O18 | 90.0° | 120.0° |
| C84 | C85 | N29 | 90.0° | 120.0° |
| C86 | C84 | H142 | 90.0° | 110.1° |
| C84 | C86 | C87 | 90.0° | 103.0° |
| C84 | C86 | H143 | 90.0° | 110.7° |
| C84 | C86 | H144 | 90.0° | 110.7° |
| O18 | C85 | N29 | 90.0° | 120.0° |
| C87 | C86 | H143 | 90.0° | 110.7° |
| C87 | C86 | H144 | 90.0° | 110.7° |
| C86 | C87 | C88 | 90.0° | 101.4° |
| C86 | C87 | H145 | 90.0° | 111.0° |
| C86 | C87 | H146 | 90.0° | 111.0° |
| H143 | C86 | H144 | 90.0° | 110.8° |
| C88 | C87 | H145 | 90.0° | 111.2° |
| C88 | C87 | H146 | 90.0° | 110.9° |
| C87 | C88 | H147 | 90.0° | 110.5° |
| C87 | C88 | H148 | 90.0° | 110.3° |
| H145 | C87 | H146 | 90.0° | 111.0° |
| H147 | C88 | H148 | 90.0° | 110.4° |
| C89 | N29 | C93 | 90.0° | 108.7° |
| N29 | C89 | C90 | 90.0° | 109.9° |
| N29 | C89 | C91 | 90.0° | 107.3° |
| N29 | C89 | H149 | 90.0° | 109.9° |
| C89 | N29 | C85 | 90.0° | 125.6° |
| N29 | C93 | C92 | 90.0° | 104.7° |
| N29 | C93 | H154 | 90.0° | 110.4° |
| N29 | C93 | H155 | 90.0° | 110.4° |
| C93 | N29 | C85 | 90.0° | 125.6° |
| C90 | C89 | C91 | 90.0° | 109.9° |
| C90 | C89 | H149 | 90.0° | 109.8° |
| C89 | C90 | O19 | 90.0° | 120.0° |
| C89 | C90 | N30 | 90.0° | 120.0° |
| C91 | C89 | H149 | 90.0° | 110.0° |
| C89 | C91 | C92 | 90.0° | 102.9° |
| C89 | C91 | H150 | 90.0° | 110.7° |
| C89 | C91 | H151 | 90.0° | 110.7° |
| O19 | C90 | N30 | 90.0° | 120.0° |
| C92 | C91 | H150 | 90.0° | 110.7° |
| C92 | C91 | H151 | 90.0° | 110.8° |
| C91 | C92 | C93 | 90.0° | 101.5° |
| C91 | C92 | H152 | 90.0° | 111.0° |
| C91 | C92 | H153 | 90.0° | 111.0° |
| H150 | C91 | H151 | 90.0° | 110.8° |
| C93 | C92 | H152 | 90.0° | 111.2° |
| C93 | C92 | H153 | 90.0° | 110.9° |
| C92 | C93 | H154 | 90.0° | 110.5° |
| C92 | C93 | H155 | 90.0° | 110.3° |
| H152 | C92 | H153 | 90.0° | 110.9° |
| H154 | C93 | H155 | 90.0° | 110.4° |
| C94 | N30 | H156 | 90.0° | 119.9° |
| N30 | C94 | C95 | 90.0° | 109.5° |
| N30 | C94 | C96 | 90.0° | 109.5° |
| N30 | C94 | H157 | 90.0° | 109.4° |
| C94 | N30 | C90 | 90.0° | 120.1° |
| H156 | N30 | C90 | 90.0° | 120.0° |
| C95 | C94 | C96 | 90.0° | 109.5° |
| C95 | C94 | H157 | 90.0° | 109.5° |
| C94 | C95 | O20 | 90.0° | 120.0° |
| C94 | C95 | N34 | 90.0° | 120.0° |
| C96 | C94 | H157 | 90.0° | 109.5° |
| C94 | C96 | C97 | 90.0° | 109.5° |
| C94 | C96 | H158 | 90.0° | 109.5° |
| C94 | C96 | H159 | 90.0° | 109.4° |
| O20 | C95 | N34 | 90.0° | 120.0° |
| C97 | C96 | H158 | 90.0° | 109.5° |
| C97 | C96 | H159 | 90.0° | 109.4° |
| C96 | C97 | C98 | 90.0° | 109.5° |
| C96 | C97 | H160 | 90.0° | 109.4° |
| C96 | C97 | H161 | 90.0° | 109.5° |
| H158 | C96 | H159 | 90.0° | 109.5° |
| C98 | C97 | H160 | 90.0° | 109.5° |
| C98 | C97 | H161 | 90.0° | 109.5° |
| C97 | C98 | N31 | 90.0° | 109.5° |
| C97 | C98 | H162 | 90.0° | 109.5° |
| C97 | C98 | H163 | 90.0° | 109.5° |
| H160 | C97 | H161 | 90.0° | 109.5° |
| N31 | C98 | H162 | 90.0° | 109.5° |
| N31 | C98 | H163 | 90.0° | 109.5° |
| C98 | N31 | C99 | 90.0° | 120.1° |
| C98 | N31 | H164 | 90.0° | 120.0° |
| H162 | C98 | H163 | 90.0° | 109.4° |
| C99 | N31 | H164 | 90.0° | 119.9° |
| N31 | C99 | N32 | 90.0° | 120.0° |
| N31 | C99 | N33 | 90.0° | 120.0° |
| N32 | C99 | N33 | 90.0° | 120.0° |
| C99 | N32 | H165 | 90.0° | 120.0° |
| C99 | N32 | H166 | 90.0° | 120.0° |
| C99 | N33 | H167 | 90.0° | 120.0° |
| C99 | N33 | H168 | 90.0° | 120.0° |
| H165 | N32 | H166 | 90.0° | 120.0° |
| H167 | N33 | H168 | 90.0° | 120.0° |
| C100 | N34 | C104 | 90.0° | 108.7° |
| N34 | C100 | C101 | 90.0° | 109.9° |
| N34 | C100 | C102 | 90.0° | 107.3° |
| N34 | C100 | H169 | 90.0° | 109.9° |
| C100 | N34 | C95 | 90.0° | 125.6° |
| N34 | C104 | C103 | 90.0° | 104.8° |
| N34 | C104 | H174 | 90.0° | 110.4° |
| N34 | C104 | H175 | 90.0° | 110.3° |
| C104 | N34 | C95 | 90.0° | 125.7° |
| C101 | C100 | C102 | 90.0° | 109.9° |
| C101 | C100 | H169 | 90.0° | 109.9° |
| C100 | C101 | O21 | 90.0° | 120.0° |
| C100 | C101 | N35 | 90.0° | 120.0° |
| C102 | C100 | H169 | 90.0° | 110.0° |
| C100 | C102 | C103 | 90.0° | 103.0° |
| C100 | C102 | H170 | 90.0° | 110.7° |
| C100 | C102 | H171 | 90.0° | 110.7° |
| O21 | C101 | N35 | 90.0° | 120.0° |
| C103 | C102 | H170 | 90.0° | 110.8° |
| C103 | C102 | H171 | 90.0° | 110.8° |
| C102 | C103 | C104 | 90.0° | 101.5° |
| C102 | C103 | H172 | 90.0° | 111.0° |
| C102 | C103 | H173 | 90.0° | 111.0° |
| H170 | C102 | H171 | 90.0° | 110.7° |
| C104 | C103 | H172 | 90.0° | 111.2° |
| C104 | C103 | H173 | 90.0° | 111.0° |
| C103 | C104 | H174 | 90.0° | 110.5° |
| C103 | C104 | H175 | 90.0° | 110.3° |
| H172 | C103 | H173 | 90.0° | 110.9° |
| H174 | C104 | H175 | 90.0° | 110.4° |
| C105 | N35 | H176 | 90.0° | 119.9° |
| N35 | C105 | C106 | 90.0° | 109.5° |
| N35 | C105 | C107 | 90.0° | 109.5° |
| N35 | C105 | H177 | 90.0° | 109.4° |
| C105 | N35 | C101 | 90.0° | 120.0° |
| H176 | N35 | C101 | 90.0° | 120.1° |
| C106 | C105 | C107 | 90.0° | 109.5° |
| C106 | C105 | H177 | 90.0° | 109.5° |
| C105 | C106 | O22 | 90.0° | 120.1° |
| C105 | C106 | N36 | 90.0° | 120.0° |
| C107 | C105 | H177 | 90.0° | 109.5° |
| C105 | C107 | C108 | 90.0° | 109.5° |
| C105 | C107 | C109 | 90.0° | 109.5° |
| C105 | C107 | H178 | 90.0° | 109.4° |
| O22 | C106 | N36 | 90.0° | 120.0° |
| C108 | C107 | C109 | 90.0° | 109.5° |
| C108 | C107 | H178 | 90.0° | 109.5° |
| C107 | C108 | H179 | 90.0° | 109.5° |
| C107 | C108 | H180 | 90.0° | 109.5° |
| C107 | C108 | H181 | 90.0° | 109.5° |
| C109 | C107 | H178 | 90.0° | 109.5° |
| C107 | C109 | H182 | 90.0° | 109.5° |
| C107 | C109 | H183 | 90.0° | 109.5° |
| C107 | C109 | H184 | 90.0° | 109.5° |
| H179 | C108 | H180 | 90.0° | 109.4° |
| H179 | C108 | H181 | 90.0° | 109.5° |
| H180 | C108 | H181 | 90.0° | 109.5° |
| H182 | C109 | H183 | 90.0° | 109.5° |
| H182 | C109 | H184 | 90.0° | 109.5° |
| H183 | C109 | H184 | 90.0° | 109.4° |
| C110 | N36 | H185 | 90.0° | 120.0° |
| N36 | C110 | C111 | 90.0° | 109.5° |
| N36 | C110 | C112 | 90.0° | 109.5° |
| N36 | C110 | H186 | 90.0° | 109.4° |
| C110 | N36 | C106 | 90.0° | 120.0° |
| H185 | N36 | C106 | 90.0° | 120.0° |
| C111 | C110 | C112 | 90.0° | 109.5° |
| C111 | C110 | H186 | 90.0° | 109.4° |
| C110 | C111 | O23 | 90.0° | 120.0° |
| C110 | C111 | O24 | 90.0° | 120.0° |
| C112 | C110 | H186 | 90.0° | 109.5° |
| C110 | C112 | C113 | 90.0° | 109.5° |
| C110 | C112 | H187 | 90.0° | 109.5° |
| C110 | C112 | H188 | 90.0° | 109.5° |
| O23 | C111 | O24 | 90.0° | 120.0° |
| C111 | O24 | H198 | 90.0° | 117.0° |
| C113 | C112 | H187 | 90.0° | 109.5° |
| C113 | C112 | H188 | 90.0° | 109.4° |
| C112 | C113 | C114 | 90.0° | 109.5° |
| C112 | C113 | H189 | 90.0° | 109.5° |
| C112 | C113 | H190 | 90.0° | 109.5° |
| H187 | C112 | H188 | 90.0° | 109.5° |
| C114 | C113 | H189 | 90.0° | 109.5° |
| C114 | C113 | H190 | 90.0° | 109.4° |
| C113 | C114 | N37 | 90.0° | 109.5° |
| C113 | C114 | H191 | 90.0° | 109.5° |
| C113 | C114 | H192 | 90.0° | 109.4° |
| H189 | C113 | H190 | 90.0° | 109.4° |
| N37 | C114 | H191 | 90.0° | 109.5° |
| N37 | C114 | H192 | 90.0° | 109.5° |
| C114 | N37 | C115 | 90.0° | 120.0° |
| C114 | N37 | H193 | 90.0° | 120.0° |
| H191 | C114 | H192 | 90.0° | 109.4° |
| C115 | N37 | H193 | 90.0° | 120.0° |
| N37 | C115 | N38 | 90.0° | 120.0° |
| N37 | C115 | N39 | 90.0° | 120.0° |
| N38 | C115 | N39 | 90.0° | 120.0° |
| C115 | N38 | H194 | 90.0° | 120.0° |
| C115 | N38 | H195 | 90.0° | 119.9° |
| C115 | N39 | H196 | 90.0° | 120.0° |
| C115 | N39 | H197 | 90.0° | 120.0° |
| H194 | N38 | H195 | 90.0° | 120.0° |
| H196 | N39 | H197 | 90.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 90.0° | 124.0° |
| N1 | C1 | C2 | C3 | 90.0° | 120.0° |
| N1 | C1 | C2 | H3 | 90.0° | 120.1° |
| N1 | C1 | C3 | H3 | 90.0° | 120.1° |
| N1 | C1 | C2 | O1 | 90.0° | 20.0° |
| N1 | C1 | C3 | C4 | 90.0° | 65.0° |
| N1 | C1 | C3 | H4 | 90.0° | 174.9° |
| N1 | C1 | C3 | H5 | 90.0° | 54.9° |
| N1 | C1 | C2 | N2 | 90.0° | 160.0° |
| H1 | N1 | C1 | C2 | 90.0° | 60.0° |
| H1 | N1 | C1 | C3 | 90.0° | 60.0° |
| H1 | N1 | C1 | H3 | 90.0° | 180.0° |
| H2 | N1 | C1 | C2 | 90.0° | 63.9° |
| H2 | N1 | C1 | C3 | 90.0° | 176.1° |
| H2 | N1 | C1 | H3 | 90.0° | 56.1° |
| C2 | C1 | C3 | H3 | 90.0° | 120.0° |
| C1 | C2 | O1 | N2 | 90.0° | 180.0° |
| C2 | C1 | C3 | C4 | 90.0° | 175.0° |
| C2 | C1 | C3 | H4 | 90.0° | 54.9° |
| C2 | C1 | C3 | H5 | 90.0° | 65.1° |
| C1 | C2 | N2 | C10 | 90.0° | 180.0° |
| C1 | C2 | N2 | H17 | 90.0° | 0.0° |
| C3 | C1 | C2 | O1 | 90.0° | 100.0° |
| C1 | C3 | C4 | H4 | 90.0° | 120.0° |
| C1 | C3 | C4 | H5 | 90.0° | 120.0° |
| C1 | C3 | H4 | H5 | 90.0° | 120.0° |
| C1 | C3 | C4 | C5 | 90.0° | 66.6° |
| C1 | C3 | C4 | C9 | 90.0° | 173.4° |
| C1 | C3 | C4 | H6 | 90.0° | 53.4° |
| C3 | C1 | C2 | N2 | 90.0° | 80.0° |
| H3 | C1 | C2 | O1 | 90.0° | 140.0° |
| H3 | C1 | C3 | C4 | 90.0° | 55.0° |
| H3 | C1 | C3 | H4 | 90.0° | 65.0° |
| H3 | C1 | C3 | H5 | 90.0° | 175.0° |
| H3 | C1 | C2 | N2 | 90.0° | 40.0° |
| O1 | C2 | N2 | C10 | 90.0° | 0.0° |
| O1 | C2 | N2 | H17 | 90.0° | 180.0° |
| C4 | C3 | H4 | H5 | 90.0° | 120.0° |
| C3 | C4 | C5 | C9 | 90.0° | 120.0° |
| C3 | C4 | C5 | H6 | 90.0° | 120.0° |
| C3 | C4 | C9 | H6 | 90.0° | 120.0° |
| C3 | C4 | C5 | C6 | 90.0° | NaN° |
| C3 | C4 | C5 | H7 | 90.0° | 60.1° |
| C3 | C4 | C5 | H8 | 90.0° | 60.0° |
| C3 | C4 | C9 | C8 | 90.0° | 180.0° |
| C3 | C4 | C9 | H15 | 90.0° | 60.0° |
| C3 | C4 | C9 | H16 | 90.0° | 60.0° |
| H4 | C3 | C4 | C5 | 90.0° | 53.5° |
| H4 | C3 | C4 | C9 | 90.0° | 66.5° |
| H4 | C3 | C4 | H6 | 90.0° | 173.4° |
| H5 | C3 | C4 | C5 | 90.0° | 173.5° |
| H5 | C3 | C4 | C9 | 90.0° | 53.5° |
| H5 | C3 | C4 | H6 | 90.0° | 66.6° |
| C5 | C4 | C9 | H6 | 90.0° | 120.0° |
| C4 | C5 | C6 | H7 | 90.0° | 120.0° |
| C4 | C5 | C6 | H8 | 90.0° | 120.0° |
| C4 | C5 | H7 | H8 | 90.0° | 120.1° |
| C4 | C5 | C6 | C7 | 90.0° | 60.0° |
| C4 | C5 | C6 | H9 | 90.0° | 60.0° |
| C4 | C5 | C6 | H10 | 90.0° | 180.0° |
| C5 | C4 | C9 | C8 | 90.0° | 60.0° |
| C5 | C4 | C9 | H15 | 90.0° | 59.9° |
| C5 | C4 | C9 | H16 | 90.0° | 180.0° |
| C9 | C4 | C5 | C6 | 90.0° | 60.0° |
| C9 | C4 | C5 | H7 | 90.0° | 180.0° |
| C9 | C4 | C5 | H8 | 90.0° | 59.9° |
| C4 | C9 | C8 | C7 | 90.0° | 60.0° |
| C4 | C9 | C8 | H15 | 90.0° | 120.0° |
| C4 | C9 | C8 | H16 | 90.0° | 120.0° |
| C4 | C9 | C8 | H13 | 90.0° | 60.0° |
| C4 | C9 | C8 | H14 | 90.0° | 180.0° |
| C4 | C9 | H15 | H16 | 90.0° | 120.0° |
| H6 | C4 | C5 | C6 | 90.0° | 60.0° |
| H6 | C4 | C5 | H7 | 90.0° | 59.9° |
| H6 | C4 | C5 | H8 | 90.0° | 180.0° |
| H6 | C4 | C9 | C8 | 90.0° | 60.0° |
| H6 | C4 | C9 | H15 | 90.0° | 180.0° |
| H6 | C4 | C9 | H16 | 90.0° | 60.0° |
| C6 | C5 | H7 | H8 | 90.0° | 120.0° |
| C5 | C6 | C7 | H9 | 90.0° | 120.1° |
| C5 | C6 | C7 | H10 | 90.0° | 120.0° |
| C5 | C6 | H9 | H10 | 90.0° | 120.0° |
| C5 | C6 | C7 | C8 | 90.0° | 60.0° |
| C5 | C6 | C7 | H11 | 90.0° | 180.0° |
| C5 | C6 | C7 | H12 | 90.0° | 60.0° |
| H7 | C5 | C6 | C7 | 90.0° | 180.0° |
| H7 | C5 | C6 | H9 | 90.0° | 59.9° |
| H7 | C5 | C6 | H10 | 90.0° | 60.0° |
| H8 | C5 | C6 | C7 | 90.0° | 60.0° |
| H8 | C5 | C6 | H9 | 90.0° | 180.0° |
| H8 | C5 | C6 | H10 | 90.0° | 60.1° |
| C7 | C6 | H9 | H10 | 90.0° | 120.0° |
| C6 | C7 | C8 | H11 | 90.0° | 120.0° |
| C6 | C7 | C8 | H12 | 90.0° | 120.0° |
| C6 | C7 | H11 | H12 | 90.0° | 120.0° |
| C6 | C7 | C8 | C9 | 90.0° | 60.0° |
| C6 | C7 | C8 | H13 | 90.0° | 60.0° |
| C6 | C7 | C8 | H14 | 90.0° | 180.0° |
| H9 | C6 | C7 | C8 | 90.0° | 60.0° |
| H9 | C6 | C7 | H11 | 90.0° | 60.0° |
| H9 | C6 | C7 | H12 | 90.0° | 179.9° |
| H10 | C6 | C7 | C8 | 90.0° | 180.0° |
| H10 | C6 | C7 | H11 | 90.0° | 60.0° |
| H10 | C6 | C7 | H12 | 90.0° | 60.0° |
| C8 | C7 | H11 | H12 | 90.0° | 120.0° |
| C7 | C8 | C9 | H13 | 90.0° | 120.0° |
| C7 | C8 | C9 | H14 | 90.0° | 120.0° |
| C7 | C8 | H13 | H14 | 90.0° | 120.0° |
| C7 | C8 | C9 | H15 | 90.0° | 60.0° |
| C7 | C8 | C9 | H16 | 90.0° | 180.0° |
| H11 | C7 | C8 | C9 | 90.0° | 180.0° |
| H11 | C7 | C8 | H13 | 90.0° | 60.0° |
| H11 | C7 | C8 | H14 | 90.0° | 60.0° |
| H12 | C7 | C8 | C9 | 90.0° | 60.0° |
| H12 | C7 | C8 | H13 | 90.0° | 180.0° |
| H12 | C7 | C8 | H14 | 90.0° | 60.0° |
| C9 | C8 | H13 | H14 | 90.0° | 120.0° |
| C8 | C9 | H15 | H16 | 90.0° | 120.0° |
| H13 | C8 | C9 | H15 | 90.0° | 180.0° |
| H13 | C8 | C9 | H16 | 90.0° | 60.0° |
| H14 | C8 | C9 | H15 | 90.0° | 60.0° |
| H14 | C8 | C9 | H16 | 90.0° | 60.0° |
| C10 | N2 | H17 | C2 | 90.0° | 180.0° |
| N2 | C10 | C11 | C12 | 90.0° | 120.0° |
| N2 | C10 | C11 | H18 | 90.0° | 120.0° |
| N2 | C10 | C12 | H18 | 90.0° | 120.0° |
| N2 | C10 | C11 | O2 | 90.0° | 0.0° |
| N2 | C10 | C12 | C13 | 90.0° | 65.0° |
| N2 | C10 | C12 | H19 | 90.0° | 175.0° |
| N2 | C10 | C12 | H20 | 90.0° | 55.0° |
| N2 | C10 | C11 | N6 | 90.0° | 180.0° |
| H17 | N2 | C10 | C11 | 90.0° | 25.0° |
| H17 | N2 | C10 | C12 | 90.0° | 95.0° |
| H17 | N2 | C10 | H18 | 90.0° | 145.0° |
| C11 | C10 | C12 | H18 | 90.0° | 120.0° |
| C10 | C11 | O2 | N6 | 90.0° | 180.0° |
| C11 | C10 | C12 | C13 | 90.0° | 175.0° |
| C11 | C10 | C12 | H19 | 90.0° | 55.0° |
| C11 | C10 | C12 | H20 | 90.0° | 65.0° |
| C10 | C11 | N6 | C16 | 90.0° | 180.0° |
| C10 | C11 | N6 | C20 | 90.0° | 0.3° |
| C11 | C10 | N2 | C2 | 90.0° | 155.0° |
| C12 | C10 | C11 | O2 | 90.0° | 120.0° |
| C10 | C12 | C13 | H19 | 90.0° | 120.0° |
| C10 | C12 | C13 | H20 | 90.0° | 119.9° |
| C10 | C12 | H19 | H20 | 90.0° | 119.9° |
| C10 | C12 | C13 | C14 | 90.0° | 180.0° |
| C10 | C12 | C13 | H21 | 90.0° | 60.0° |
| C10 | C12 | C13 | H22 | 90.0° | 60.1° |
| C12 | C10 | N2 | C2 | 90.0° | 85.0° |
| C12 | C10 | C11 | N6 | 90.0° | 60.0° |
| H18 | C10 | C11 | O2 | 90.0° | 119.9° |
| H18 | C10 | C12 | C13 | 90.0° | 55.0° |
| H18 | C10 | C12 | H19 | 90.0° | 65.1° |
| H18 | C10 | C12 | H20 | 90.0° | 175.0° |
| H18 | C10 | N2 | C2 | 90.0° | 35.0° |
| H18 | C10 | C11 | N6 | 90.0° | 60.1° |
| O2 | C11 | N6 | C16 | 90.0° | 0.0° |
| O2 | C11 | N6 | C20 | 90.0° | 179.7° |
| C13 | C12 | H19 | H20 | 90.0° | 120.1° |
| C12 | C13 | C14 | H21 | 90.0° | 120.0° |
| C12 | C13 | C14 | H22 | 90.0° | 119.9° |
| C12 | C13 | H21 | H22 | 90.0° | 120.1° |
| C12 | C13 | C14 | N3 | 90.0° | 179.9° |
| C12 | C13 | C14 | H23 | 90.0° | 60.0° |
| C12 | C13 | C14 | H24 | 90.0° | 60.0° |
| H19 | C12 | C13 | C14 | 90.0° | 60.0° |
| H19 | C12 | C13 | H21 | 90.0° | 180.0° |
| H19 | C12 | C13 | H22 | 90.0° | 59.9° |
| H20 | C12 | C13 | C14 | 90.0° | 60.1° |
| H20 | C12 | C13 | H21 | 90.0° | 59.9° |
| H20 | C12 | C13 | H22 | 90.0° | 180.0° |
| C14 | C13 | H21 | H22 | 90.0° | 120.0° |
| C13 | C14 | N3 | H23 | 90.0° | 120.0° |
| C13 | C14 | N3 | H24 | 90.0° | 120.0° |
| C13 | C14 | H23 | H24 | 90.0° | 120.0° |
| C13 | C14 | N3 | C15 | 90.0° | 180.0° |
| C13 | C14 | N3 | H25 | 90.0° | 0.0° |
| H21 | C13 | C14 | N3 | 90.0° | 60.1° |
| H21 | C13 | C14 | H23 | 90.0° | NaN° |
| H21 | C13 | C14 | H24 | 90.0° | 60.0° |
| H22 | C13 | C14 | N3 | 90.0° | 60.0° |
| H22 | C13 | C14 | H23 | 90.0° | 60.0° |
| H22 | C13 | C14 | H24 | 90.0° | 180.0° |
| N3 | C14 | H23 | H24 | 90.0° | 120.1° |
| C14 | N3 | C15 | H25 | 90.0° | 179.9° |
| C14 | N3 | C15 | N4 | 90.0° | 0.0° |
| C14 | N3 | C15 | N5 | 90.0° | 179.9° |
| H23 | C14 | N3 | C15 | 90.0° | 60.1° |
| H23 | C14 | N3 | H25 | 90.0° | 120.0° |
| H24 | C14 | N3 | C15 | 90.0° | 60.0° |
| H24 | C14 | N3 | H25 | 90.0° | 120.0° |
| N3 | C15 | N4 | N5 | 90.0° | 180.0° |
| N3 | C15 | N4 | H26 | 90.0° | 0.0° |
| N3 | C15 | N4 | H27 | 90.0° | 180.0° |
| N3 | C15 | N5 | H28 | 90.0° | 180.0° |
| N3 | C15 | N5 | H29 | 90.0° | 0.1° |
| H25 | N3 | C15 | N4 | 90.0° | 180.0° |
| H25 | N3 | C15 | N5 | 90.0° | 0.0° |
| C15 | N4 | H26 | H27 | 90.0° | 180.0° |
| N4 | C15 | N5 | H28 | 90.0° | 0.1° |
| N4 | C15 | N5 | H29 | 90.0° | 180.0° |
| N5 | C15 | N4 | H26 | 90.0° | 180.0° |
| N5 | C15 | N4 | H27 | 90.0° | 0.1° |
| C15 | N5 | H28 | H29 | 90.0° | 179.9° |
| C16 | N6 | C20 | C11 | 90.0° | 179.8° |
| N6 | C16 | C17 | C18 | 90.0° | 117.7° |
| N6 | C16 | C17 | H30 | 90.0° | 121.1° |
| N6 | C16 | C18 | H30 | 90.0° | 119.6° |
| N6 | C16 | C17 | O3 | 90.0° | 0.1° |
| N6 | C16 | C18 | C19 | 90.0° | 22.2° |
| N6 | C16 | C18 | H31 | 90.0° | 140.6° |
| N6 | C16 | C18 | H32 | 90.0° | 96.1° |
| C16 | N6 | C20 | C19 | 90.0° | 24.4° |
| C16 | N6 | C20 | H35 | 90.0° | 94.5° |
| C16 | N6 | C20 | H36 | 90.0° | 143.2° |
| N6 | C16 | C17 | N7 | 90.0° | 180.0° |
| C20 | N6 | C16 | C17 | 90.0° | 118.1° |
| C20 | N6 | C16 | C18 | 90.0° | 1.2° |
| C20 | N6 | C16 | H30 | 90.0° | 120.8° |
| N6 | C20 | C19 | C18 | 90.0° | 37.3° |
| N6 | C20 | C19 | H35 | 90.0° | 118.9° |
| N6 | C20 | C19 | H36 | 90.0° | 118.8° |
| N6 | C20 | C19 | H33 | 90.0° | 80.8° |
| N6 | C20 | C19 | H34 | 90.0° | 155.2° |
| N6 | C20 | H35 | H36 | 90.0° | 122.3° |
| C17 | C16 | C18 | H30 | 90.0° | 121.1° |
| C16 | C17 | O3 | N7 | 90.0° | 179.9° |
| C17 | C16 | C18 | C19 | 90.0° | 141.6° |
| C17 | C16 | C18 | H31 | 90.0° | 100.0° |
| C17 | C16 | C18 | H32 | 90.0° | 23.2° |
| C16 | C17 | N7 | C21 | 90.0° | 175.1° |
| C16 | C17 | N7 | H37 | 90.0° | 5.0° |
| C17 | C16 | N6 | C11 | 90.0° | 61.7° |
| C18 | C16 | C17 | O3 | 90.0° | 117.8° |
| C16 | C18 | C19 | H31 | 90.0° | 118.3° |
| C16 | C18 | C19 | H32 | 90.0° | 118.4° |
| C16 | C18 | H31 | H32 | 90.0° | 123.2° |
| C16 | C18 | C19 | C20 | 90.0° | 35.7° |
| C16 | C18 | C19 | H33 | 90.0° | 82.6° |
| C16 | C18 | C19 | H34 | 90.0° | 153.6° |
| C18 | C16 | N6 | C11 | 90.0° | 179.0° |
| C18 | C16 | C17 | N7 | 90.0° | 62.2° |
| H30 | C16 | C17 | O3 | 90.0° | 121.0° |
| H30 | C16 | C18 | C19 | 90.0° | 97.3° |
| H30 | C16 | C18 | H31 | 90.0° | 21.1° |
| H30 | C16 | C18 | H32 | 90.0° | 144.3° |
| H30 | C16 | N6 | C11 | 90.0° | 59.4° |
| H30 | C16 | C17 | N7 | 90.0° | 58.9° |
| O3 | C17 | N7 | C21 | 90.0° | 5.0° |
| O3 | C17 | N7 | H37 | 90.0° | 174.9° |
| C19 | C18 | H31 | H32 | 90.0° | 123.2° |
| C18 | C19 | C20 | H33 | 90.0° | 118.0° |
| C18 | C19 | C20 | H34 | 90.0° | 118.0° |
| C18 | C19 | H33 | H34 | 90.0° | 123.9° |
| C18 | C19 | C20 | H35 | 90.0° | 81.6° |
| C18 | C19 | C20 | H36 | 90.0° | 156.1° |
| H31 | C18 | C19 | C20 | 90.0° | 154.0° |
| H31 | C18 | C19 | H33 | 90.0° | 35.8° |
| H31 | C18 | C19 | H34 | 90.0° | 88.1° |
| H32 | C18 | C19 | C20 | 90.0° | 82.7° |
| H32 | C18 | C19 | H33 | 90.0° | 159.1° |
| H32 | C18 | C19 | H34 | 90.0° | 35.2° |
| C20 | C19 | H33 | H34 | 90.0° | 124.0° |
| C19 | C20 | H35 | H36 | 90.0° | 122.3° |
| C19 | C20 | N6 | C11 | 90.0° | 155.8° |
| H33 | C19 | C20 | H35 | 90.0° | 160.4° |
| H33 | C19 | C20 | H36 | 90.0° | 38.0° |
| H34 | C19 | C20 | H35 | 90.0° | 36.4° |
| H34 | C19 | C20 | H36 | 90.0° | 86.0° |
| H35 | C20 | N6 | C11 | 90.0° | 85.3° |
| H36 | C20 | N6 | C11 | 90.0° | 37.0° |
| C21 | N7 | H37 | C17 | 90.0° | 179.9° |
| N7 | C21 | C22 | C23 | 90.0° | 119.9° |
| N7 | C21 | C22 | H38 | 90.0° | 120.0° |
| N7 | C21 | C23 | H38 | 90.0° | 120.1° |
| N7 | C21 | C22 | O4 | 90.0° | 0.0° |
| N7 | C21 | C23 | C24 | 90.0° | 65.0° |
| N7 | C21 | C23 | H39 | 90.0° | 175.1° |
| N7 | C21 | C23 | H40 | 90.0° | 55.0° |
| N7 | C21 | C22 | N8 | 90.0° | 180.0° |
| H37 | N7 | C21 | C22 | 90.0° | 96.7° |
| H37 | N7 | C21 | C23 | 90.0° | 23.2° |
| H37 | N7 | C21 | H38 | 90.0° | 143.3° |
| C22 | C21 | C23 | H38 | 90.0° | 120.0° |
| C21 | C22 | O4 | N8 | 90.0° | 179.9° |
| C22 | C21 | C23 | C24 | 90.0° | 175.1° |
| C22 | C21 | C23 | H39 | 90.0° | 55.2° |
| C22 | C21 | C23 | H40 | 90.0° | 64.9° |
| C21 | C22 | N8 | C25 | 90.0° | 179.9° |
| C21 | C22 | N8 | H42 | 90.0° | 0.0° |
| C22 | C21 | N7 | C17 | 90.0° | 83.4° |
| C23 | C21 | C22 | O4 | 90.0° | 120.0° |
| C21 | C23 | C24 | H39 | 90.0° | 119.9° |
| C21 | C23 | C24 | H40 | 90.0° | 120.0° |
| C21 | C23 | H39 | H40 | 90.0° | 120.1° |
| C21 | C23 | C24 | O5 | 90.0° | 5.8° |
| C21 | C23 | C24 | O6 | 90.0° | 174.2° |
| C23 | C21 | N7 | C17 | 90.0° | 156.7° |
| C23 | C21 | C22 | N8 | 90.0° | 60.1° |
| H38 | C21 | C22 | O4 | 90.0° | 120.0° |
| H38 | C21 | C23 | C24 | 90.0° | 55.1° |
| H38 | C21 | C23 | H39 | 90.0° | 64.9° |
| H38 | C21 | C23 | H40 | 90.0° | 175.1° |
| H38 | C21 | N7 | C17 | 90.0° | 36.6° |
| H38 | C21 | C22 | N8 | 90.0° | 60.0° |
| O4 | C22 | N8 | C25 | 90.0° | 0.0° |
| O4 | C22 | N8 | H42 | 90.0° | 180.0° |
| C24 | C23 | H39 | H40 | 90.0° | 120.0° |
| C23 | C24 | O5 | O6 | 90.0° | 180.0° |
| C23 | C24 | O6 | H41 | 90.0° | 180.0° |
| H39 | C23 | C24 | O5 | 90.0° | 114.1° |
| H39 | C23 | C24 | O6 | 90.0° | 65.9° |
| H40 | C23 | C24 | O5 | 90.0° | 125.8° |
| H40 | C23 | C24 | O6 | 90.0° | 54.2° |
| O5 | C24 | O6 | H41 | 90.0° | 0.0° |
| C25 | N8 | H42 | C22 | 90.0° | 180.0° |
| N8 | C25 | C26 | C27 | 90.0° | 120.0° |
| N8 | C25 | C26 | H43 | 90.0° | 120.0° |
| N8 | C25 | C27 | H43 | 90.0° | 120.0° |
| N8 | C25 | C26 | O7 | 90.0° | 0.0° |
| N8 | C25 | C27 | C28 | 90.0° | 65.0° |
| N8 | C25 | C27 | H44 | 90.0° | 175.0° |
| N8 | C25 | C27 | H45 | 90.0° | 55.0° |
| N8 | C25 | C26 | N10 | 90.0° | 180.0° |
| H42 | N8 | C25 | C26 | 90.0° | 25.0° |
| H42 | N8 | C25 | C27 | 90.0° | 95.0° |
| H42 | N8 | C25 | H43 | 90.0° | 145.0° |
| C26 | C25 | C27 | H43 | 90.0° | 120.0° |
| C25 | C26 | O7 | N10 | 90.0° | 180.0° |
| C26 | C25 | C27 | C28 | 90.0° | 175.0° |
| C26 | C25 | C27 | H44 | 90.0° | 55.0° |
| C26 | C25 | C27 | H45 | 90.0° | 65.0° |
| C25 | C26 | N10 | C31 | 90.0° | 180.0° |
| C25 | C26 | N10 | C35 | 90.0° | 0.3° |
| C26 | C25 | N8 | C22 | 90.0° | 155.0° |
| C27 | C25 | C26 | O7 | 90.0° | 120.0° |
| C25 | C27 | C28 | H44 | 90.0° | 120.0° |
| C25 | C27 | C28 | H45 | 90.0° | 120.0° |
| C25 | C27 | H44 | H45 | 90.0° | 120.1° |
| C25 | C27 | C28 | C29 | 90.0° | 180.0° |
| C25 | C27 | C28 | H46 | 90.0° | 60.1° |
| C25 | C27 | C28 | H47 | 90.0° | 60.0° |
| C27 | C25 | N8 | C22 | 90.0° | 85.0° |
| C27 | C25 | C26 | N10 | 90.0° | 60.0° |
| H43 | C25 | C26 | O7 | 90.0° | 120.0° |
| H43 | C25 | C27 | C28 | 90.0° | 55.0° |
| H43 | C25 | C27 | H44 | 90.0° | 65.0° |
| H43 | C25 | C27 | H45 | 90.0° | 175.0° |
| H43 | C25 | N8 | C22 | 90.0° | 35.0° |
| H43 | C25 | C26 | N10 | 90.0° | 60.0° |
| O7 | C26 | N10 | C31 | 90.0° | 0.0° |
| O7 | C26 | N10 | C35 | 90.0° | 179.7° |
| C28 | C27 | H44 | H45 | 90.0° | 119.9° |
| C27 | C28 | C29 | H46 | 90.0° | 120.0° |
| C27 | C28 | C29 | H47 | 90.0° | 120.1° |
| C27 | C28 | H46 | H47 | 90.0° | 120.1° |
| C27 | C28 | C29 | C30 | 90.0° | 180.0° |
| C27 | C28 | C29 | H48 | 90.0° | 60.0° |
| C27 | C28 | C29 | H49 | 90.0° | 59.9° |
| H44 | C27 | C28 | C29 | 90.0° | 60.0° |
| H44 | C27 | C28 | H46 | 90.0° | 179.9° |
| H44 | C27 | C28 | H47 | 90.0° | 60.0° |
| H45 | C27 | C28 | C29 | 90.0° | 60.0° |
| H45 | C27 | C28 | H46 | 90.0° | 60.0° |
| H45 | C27 | C28 | H47 | 90.0° | 180.0° |
| C29 | C28 | H46 | H47 | 90.0° | 119.9° |
| C28 | C29 | C30 | H48 | 90.0° | 120.0° |
| C28 | C29 | C30 | H49 | 90.0° | 120.0° |
| C28 | C29 | H48 | H49 | 90.0° | 119.9° |
| C28 | C29 | C30 | N9 | 90.0° | 180.0° |
| C28 | C29 | C30 | H50 | 90.0° | 60.0° |
| C28 | C29 | C30 | H51 | 90.0° | 60.0° |
| H46 | C28 | C29 | C30 | 90.0° | 60.0° |
| H46 | C28 | C29 | H48 | 90.0° | 180.0° |
| H46 | C28 | C29 | H49 | 90.0° | 60.0° |
| H47 | C28 | C29 | C30 | 90.0° | 60.0° |
| H47 | C28 | C29 | H48 | 90.0° | 60.1° |
| H47 | C28 | C29 | H49 | 90.0° | 180.0° |
| C30 | C29 | H48 | H49 | 90.0° | 120.0° |
| C29 | C30 | N9 | H50 | 90.0° | 120.0° |
| C29 | C30 | N9 | H51 | 90.0° | 120.0° |
| C29 | C30 | H50 | H51 | 90.0° | 119.9° |
| C29 | C30 | N9 | H52 | 90.0° | 60.0° |
| C29 | C30 | N9 | H53 | 90.0° | 180.0° |
| C29 | C30 | N9 | H54 | 90.0° | 60.0° |
| H48 | C29 | C30 | N9 | 90.0° | 60.0° |
| H48 | C29 | C30 | H50 | 90.0° | 180.0° |
| H48 | C29 | C30 | H51 | 90.0° | 60.1° |
| H49 | C29 | C30 | N9 | 90.0° | 60.0° |
| H49 | C29 | C30 | H50 | 90.0° | 60.0° |
| H49 | C29 | C30 | H51 | 90.0° | 179.9° |
| N9 | C30 | H50 | H51 | 90.0° | 120.0° |
| C30 | N9 | H52 | H53 | 90.0° | 120.0° |
| C30 | N9 | H52 | H54 | 90.0° | 120.0° |
| C30 | N9 | H53 | H54 | 90.0° | 120.0° |
| H50 | C30 | N9 | H52 | 90.0° | 60.0° |
| H50 | C30 | N9 | H53 | 90.0° | 59.9° |
| H50 | C30 | N9 | H54 | 90.0° | 180.0° |
| H51 | C30 | N9 | H52 | 90.0° | 179.9° |
| H51 | C30 | N9 | H53 | 90.0° | 60.0° |
| H51 | C30 | N9 | H54 | 90.0° | 60.0° |
| H52 | N9 | H53 | H54 | 90.0° | 120.0° |
| C31 | N10 | C35 | C26 | 90.0° | 179.7° |
| N10 | C31 | C32 | C33 | 90.0° | 117.8° |
| N10 | C31 | C32 | H55 | 90.0° | 121.0° |
| N10 | C31 | C33 | H55 | 90.0° | 119.5° |
| N10 | C31 | C32 | O8 | 90.0° | 0.0° |
| N10 | C31 | C33 | C34 | 90.0° | 22.2° |
| N10 | C31 | C33 | H56 | 90.0° | 140.6° |
| N10 | C31 | C33 | H57 | 90.0° | 96.1° |
| C31 | N10 | C35 | C34 | 90.0° | 24.5° |
| C31 | N10 | C35 | H60 | 90.0° | 94.5° |
| C31 | N10 | C35 | H61 | 90.0° | 143.1° |
| N10 | C31 | C32 | N11 | 90.0° | 180.0° |
| C35 | N10 | C31 | C32 | 90.0° | 118.1° |
| C35 | N10 | C31 | C33 | 90.0° | 1.3° |
| C35 | N10 | C31 | H55 | 90.0° | 120.9° |
| N10 | C35 | C34 | C33 | 90.0° | 37.3° |
| N10 | C35 | C34 | H60 | 90.0° | 118.9° |
| N10 | C35 | C34 | H61 | 90.0° | 118.8° |
| N10 | C35 | C34 | H58 | 90.0° | 80.8° |
| N10 | C35 | C34 | H59 | 90.0° | 155.2° |
| N10 | C35 | H60 | H61 | 90.0° | 122.4° |
| C32 | C31 | C33 | H55 | 90.0° | 121.1° |
| C31 | C32 | O8 | N11 | 90.0° | 180.0° |
| C32 | C31 | C33 | C34 | 90.0° | 141.6° |
| C32 | C31 | C33 | H56 | 90.0° | 100.0° |
| C32 | C31 | C33 | H57 | 90.0° | 23.3° |
| C31 | C32 | N11 | C36 | 90.0° | 180.0° |
| C31 | C32 | N11 | H62 | 90.0° | 0.1° |
| C32 | C31 | N10 | C26 | 90.0° | 61.6° |
| C33 | C31 | C32 | O8 | 90.0° | 117.8° |
| C31 | C33 | C34 | H56 | 90.0° | 118.4° |
| C31 | C33 | C34 | H57 | 90.0° | 118.3° |
| C31 | C33 | H56 | H57 | 90.0° | 123.2° |
| C31 | C33 | C34 | C35 | 90.0° | 35.7° |
| C31 | C33 | C34 | H58 | 90.0° | 82.6° |
| C31 | C33 | C34 | H59 | 90.0° | 153.6° |
| C33 | C31 | N10 | C26 | 90.0° | 179.0° |
| C33 | C31 | C32 | N11 | 90.0° | 62.2° |
| H55 | C31 | C32 | O8 | 90.0° | 121.0° |
| H55 | C31 | C33 | C34 | 90.0° | 97.3° |
| H55 | C31 | C33 | H56 | 90.0° | 21.1° |
| H55 | C31 | C33 | H57 | 90.0° | 144.4° |
| H55 | C31 | N10 | C26 | 90.0° | 59.4° |
| H55 | C31 | C32 | N11 | 90.0° | 59.0° |
| O8 | C32 | N11 | C36 | 90.0° | 0.1° |
| O8 | C32 | N11 | H62 | 90.0° | 180.0° |
| C34 | C33 | H56 | H57 | 90.0° | 123.2° |
| C33 | C34 | C35 | H58 | 90.0° | 118.1° |
| C33 | C34 | C35 | H59 | 90.0° | 117.9° |
| C33 | C34 | H58 | H59 | 90.0° | 123.8° |
| C33 | C34 | C35 | H60 | 90.0° | 81.6° |
| C33 | C34 | C35 | H61 | 90.0° | 156.1° |
| H56 | C33 | C34 | C35 | 90.0° | 154.1° |
| H56 | C33 | C34 | H58 | 90.0° | 35.8° |
| H56 | C33 | C34 | H59 | 90.0° | 88.0° |
| H57 | C33 | C34 | C35 | 90.0° | 82.6° |
| H57 | C33 | C34 | H58 | 90.0° | 159.1° |
| H57 | C33 | C34 | H59 | 90.0° | 35.3° |
| C35 | C34 | H58 | H59 | 90.0° | 124.0° |
| C34 | C35 | H60 | H61 | 90.0° | 122.3° |
| C34 | C35 | N10 | C26 | 90.0° | 155.8° |
| H58 | C34 | C35 | H60 | 90.0° | 160.3° |
| H58 | C34 | C35 | H61 | 90.0° | 37.9° |
| H59 | C34 | C35 | H60 | 90.0° | 36.3° |
| H59 | C34 | C35 | H61 | 90.0° | 86.0° |
| H60 | C35 | N10 | C26 | 90.0° | 85.3° |
| H61 | C35 | N10 | C26 | 90.0° | 37.1° |
| C36 | N11 | H62 | C32 | 179.9° | 179.9° |
| N11 | C36 | C37 | C38 | 123.2° | 120.0° |
| N11 | C36 | C37 | H63 | 118.3° | 120.0° |
| N11 | C36 | C38 | H63 | 119.7° | 119.9° |
| N11 | C36 | C37 | O9 | 55.9° | 27.3° |
| N11 | C36 | C38 | C39 | 153.9° | 66.7° |
| N11 | C36 | C38 | H64 | 33.4° | 53.3° |
| N11 | C36 | C38 | H65 | 85.6° | 173.2° |
| N11 | C36 | C37 | N15 | 120.8° | 152.7° |
| H62 | N11 | C36 | C37 | 162.0° | 24.9° |
| H62 | N11 | C36 | C38 | 39.2° | 95.1° |
| H62 | N11 | C36 | H63 | 80.0° | 145.0° |
| C37 | C36 | C38 | H63 | 118.6° | 120.0° |
| C36 | C37 | O9 | N15 | 176.5° | 180.0° |
| C37 | C36 | C38 | C39 | 84.3° | 173.2° |
| C37 | C36 | C38 | H64 | 155.1° | 66.8° |
| C37 | C36 | C38 | H65 | 36.2° | 53.2° |
| C36 | C37 | N15 | C42 | 179.0° | 175.1° |
| C36 | C37 | N15 | C46 | 29.2° | 4.5° |
| C37 | C36 | N11 | C32 | 18.0° | 155.0° |
| C38 | C36 | C37 | O9 | 67.3° | 92.7° |
| C36 | C38 | C39 | H64 | 120.5° | 120.0° |
| C36 | C38 | C39 | H65 | 120.5° | 120.0° |
| C36 | C38 | H64 | H65 | 118.5° | 119.9° |
| C36 | C38 | C39 | C40 | 66.9° | 180.0° |
| C36 | C38 | C39 | H66 | 173.3° | 60.0° |
| C36 | C38 | C39 | H67 | 52.9° | 60.0° |
| C38 | C36 | N11 | C32 | 140.7° | 85.0° |
| C38 | C36 | C37 | N15 | 116.0° | 87.3° |
| H63 | C36 | C37 | O9 | 174.2° | 147.3° |
| H63 | C36 | C38 | C39 | 34.2° | 53.2° |
| H63 | C36 | C38 | H64 | 86.3° | 173.2° |
| H63 | C36 | C38 | H65 | 154.7° | 66.8° |
| H63 | C36 | N11 | C32 | 100.0° | 34.9° |
| H63 | C36 | C37 | N15 | 2.5° | 32.7° |
| O9 | C37 | N15 | C42 | 2.3° | 4.9° |
| O9 | C37 | N15 | C46 | 147.5° | 175.5° |
| C39 | C38 | H64 | H65 | 118.5° | 120.0° |
| C38 | C39 | C40 | H66 | 119.8° | 120.0° |
| C38 | C39 | C40 | H67 | 119.8° | 120.0° |
| C38 | C39 | H66 | H67 | 120.6° | 120.0° |
| C38 | C39 | C40 | N12 | 113.9° | 180.0° |
| C38 | C39 | C40 | H68 | 125.6° | 60.0° |
| C38 | C39 | C40 | H69 | 6.6° | 60.0° |
| H64 | C38 | C39 | C40 | 53.6° | 60.0° |
| H64 | C38 | C39 | H66 | 66.2° | 180.0° |
| H64 | C38 | C39 | H67 | 173.4° | 60.0° |
| H65 | C38 | C39 | C40 | 172.6° | 60.0° |
| H65 | C38 | C39 | H66 | 52.8° | 60.0° |
| H65 | C38 | C39 | H67 | 67.6° | 180.0° |
| C40 | C39 | H66 | H67 | 120.5° | 120.0° |
| C39 | C40 | N12 | H68 | 120.5° | 120.0° |
| C39 | C40 | N12 | H69 | 120.5° | 120.0° |
| C39 | C40 | H68 | H69 | 118.3° | 120.0° |
| C39 | C40 | N12 | C41 | 166.4° | 180.0° |
| C39 | C40 | N12 | H70 | 13.6° | 0.0° |
| H66 | C39 | C40 | N12 | 5.9° | 60.0° |
| H66 | C39 | C40 | H68 | 114.6° | 180.0° |
| H66 | C39 | C40 | H69 | 126.5° | 60.0° |
| H67 | C39 | C40 | N12 | 126.3° | 60.0° |
| H67 | C39 | C40 | H68 | 5.8° | 60.0° |
| H67 | C39 | C40 | H69 | 113.2° | 179.9° |
| N12 | C40 | H68 | H69 | 118.4° | 120.0° |
| C40 | N12 | C41 | H70 | 180.0° | 180.0° |
| C40 | N12 | C41 | N13 | 177.5° | 0.0° |
| C40 | N12 | C41 | N14 | 2.3° | 180.0° |
| H68 | C40 | N12 | C41 | 73.1° | 60.0° |
| H68 | C40 | N12 | H70 | 106.9° | 120.0° |
| H69 | C40 | N12 | C41 | 45.9° | 60.0° |
| H69 | C40 | N12 | H70 | 134.1° | 120.0° |
| N12 | C41 | N13 | N14 | 179.8° | 180.0° |
| N12 | C41 | N13 | H71 | 179.8° | 0.1° |
| N12 | C41 | N13 | H72 | 0.2° | 179.9° |
| N12 | C41 | N14 | H73 | 179.8° | 0.1° |
| N12 | C41 | N14 | H74 | 0.2° | 179.9° |
| H70 | N12 | C41 | N13 | 2.5° | 180.0° |
| H70 | N12 | C41 | N14 | 177.7° | 0.0° |
| C41 | N13 | H71 | H72 | 180.0° | 179.9° |
| N13 | C41 | N14 | H73 | 0.0° | 179.9° |
| N13 | C41 | N14 | H74 | 180.0° | 0.1° |
| N14 | C41 | N13 | H71 | 0.0° | 179.9° |
| N14 | C41 | N13 | H72 | 180.0° | 0.0° |
| C41 | N14 | H73 | H74 | 180.0° | 179.8° |
| C42 | N15 | C46 | C37 | 148.7° | 179.7° |
| N15 | C42 | C43 | C44 | 116.0° | 117.8° |
| N15 | C42 | C43 | H75 | 120.2° | 121.0° |
| N15 | C42 | C44 | H75 | 118.1° | 119.5° |
| N15 | C42 | C43 | O10 | 11.6° | 4.3° |
| N15 | C42 | C44 | C45 | 12.7° | 22.2° |
| N15 | C42 | C44 | H76 | 106.5° | 140.6° |
| N15 | C42 | C44 | H77 | 131.8° | 96.1° |
| C42 | N15 | C46 | C45 | 32.1° | 24.5° |
| C42 | N15 | C46 | H80 | 150.7° | 94.5° |
| C42 | N15 | C46 | H81 | 86.5° | 143.2° |
| N15 | C42 | C43 | N16 | 160.3° | 175.7° |
| C46 | N15 | C42 | C43 | 110.4° | 120.7° |
| C46 | N15 | C42 | C44 | 12.6° | 1.3° |
| C46 | N15 | C42 | H75 | 129.8° | 118.3° |
| N15 | C46 | C45 | C44 | 39.0° | 37.3° |
| N15 | C46 | C45 | H80 | 118.6° | 118.9° |
| N15 | C46 | C45 | H81 | 118.6° | 118.7° |
| N15 | C46 | C45 | H78 | 158.3° | 80.8° |
| N15 | C46 | C45 | H79 | 80.2° | 155.3° |
| N15 | C46 | H80 | H81 | 124.1° | 122.3° |
| C43 | C42 | C44 | H75 | 124.2° | 121.1° |
| C42 | C43 | O10 | N16 | 171.2° | 180.0° |
| C43 | C42 | C44 | C45 | 130.4° | 97.3° |
| C43 | C42 | C44 | H76 | 11.3° | 21.1° |
| C43 | C42 | C44 | H77 | 110.5° | 144.4° |
| C42 | C43 | N16 | C47 | 178.8° | 173.5° |
| C42 | C43 | N16 | H82 | 1.2° | 6.5° |
| C43 | C42 | N15 | C37 | 90.5° | 59.6° |
| C44 | C42 | C43 | O10 | 104.4° | 113.5° |
| C42 | C44 | C45 | H76 | 119.1° | 118.4° |
| C42 | C44 | C45 | H77 | 119.1° | 118.4° |
| C42 | C44 | H76 | H77 | 122.5° | 123.3° |
| C42 | C44 | C45 | C46 | 32.3° | 35.7° |
| C42 | C44 | C45 | H78 | 151.5° | 82.6° |
| C42 | C44 | C45 | H79 | 86.9° | 153.6° |
| C44 | C42 | N15 | C37 | 146.6° | 179.0° |
| C44 | C42 | C43 | N16 | 83.7° | 66.5° |
| H75 | C42 | C43 | O10 | 131.8° | 125.3° |
| H75 | C42 | C44 | C45 | 105.4° | 141.7° |
| H75 | C42 | C44 | H76 | 135.5° | 100.0° |
| H75 | C42 | C44 | H77 | 13.7° | 23.3° |
| H75 | C42 | N15 | C37 | 29.4° | 61.4° |
| H75 | C42 | C43 | N16 | 40.1° | 54.7° |
| O10 | C43 | N16 | C47 | 7.0° | 6.4° |
| O10 | C43 | N16 | H82 | 173.0° | 173.5° |
| C45 | C44 | H76 | H77 | 122.5° | 123.2° |
| C44 | C45 | C46 | H78 | 119.2° | 118.1° |
| C44 | C45 | C46 | H79 | 119.2° | 118.0° |
| C44 | C45 | H78 | H79 | 122.2° | 123.9° |
| C44 | C45 | C46 | H80 | 157.6° | 81.6° |
| C44 | C45 | C46 | H81 | 79.6° | 156.0° |
| H76 | C44 | C45 | C46 | 86.8° | 154.1° |
| H76 | C44 | C45 | H78 | 32.4° | 35.8° |
| H76 | C44 | C45 | H79 | 153.9° | 88.0° |
| H77 | C44 | C45 | C46 | 151.4° | 82.7° |
| H77 | C44 | C45 | H78 | 89.4° | 159.0° |
| H77 | C44 | C45 | H79 | 32.2° | 35.2° |
| C46 | C45 | H78 | H79 | 122.3° | 123.9° |
| C45 | C46 | H80 | H81 | 124.0° | 122.4° |
| C45 | C46 | N15 | C37 | 116.6° | 155.8° |
| H78 | C45 | C46 | H80 | 83.2° | 160.3° |
| H78 | C45 | C46 | H81 | 39.7° | 37.9° |
| H79 | C45 | C46 | H80 | 38.4° | 36.4° |
| H79 | C45 | C46 | H81 | 161.2° | 86.0° |
| H80 | C46 | N15 | C37 | 2.0° | 85.2° |
| H81 | C46 | N15 | C37 | 124.9° | 37.1° |
| C47 | N16 | H82 | C43 | 180.0° | 180.0° |
| N16 | C47 | C48 | C49 | 120.3° | 120.0° |
| N16 | C47 | C48 | H83 | 121.3° | 120.0° |
| N16 | C47 | C49 | H83 | 120.3° | 120.0° |
| N16 | C47 | C48 | O11 | 40.7° | 0.0° |
| N16 | C47 | C49 | C50 | 69.6° | 66.6° |
| N16 | C47 | C49 | H84 | 51.1° | 53.5° |
| N16 | C47 | C49 | H85 | 169.8° | 173.4° |
| N16 | C47 | C48 | N17 | 139.8° | 180.0° |
| H82 | N16 | C47 | C48 | 78.6° | 44.4° |
| H82 | N16 | C47 | C49 | 40.8° | 75.6° |
| H82 | N16 | C47 | H83 | 160.6° | 164.4° |
| C48 | C47 | C49 | H83 | 118.6° | 120.0° |
| C47 | C48 | O11 | N17 | 179.5° | 179.9° |
| C48 | C47 | C49 | C50 | 169.3° | 173.4° |
| C48 | C47 | C49 | H84 | 70.1° | 66.6° |
| C48 | C47 | C49 | H85 | 48.6° | 53.4° |
| C47 | C48 | N17 | C56 | 168.8° | 180.0° |
| C47 | C48 | N17 | H91 | 11.1° | 0.1° |
| C48 | C47 | N16 | C43 | 101.4° | 135.6° |
| C49 | C47 | C48 | O11 | 79.5° | 120.0° |
| C47 | C49 | C50 | H84 | 120.6° | 120.0° |
| C47 | C49 | C50 | H85 | 120.6° | 120.0° |
| C47 | C49 | H84 | H85 | 118.0° | 119.9° |
| C47 | C49 | C50 | C51 | 68.7° | 95.1° |
| C47 | C49 | C50 | C52 | 114.4° | 85.3° |
| C49 | C47 | N16 | C43 | 139.1° | 104.4° |
| C49 | C47 | C48 | N17 | 100.0° | 59.9° |
| H83 | C47 | C48 | O11 | 162.0° | 120.0° |
| H83 | C47 | C49 | C50 | 50.7° | 53.4° |
| H83 | C47 | C49 | H84 | 171.4° | 173.4° |
| H83 | C47 | C49 | H85 | 69.9° | 66.6° |
| H83 | C47 | N16 | C43 | 19.4° | 15.6° |
| H83 | C47 | C48 | N17 | 18.5° | 60.1° |
| O11 | C48 | N17 | C56 | 10.7° | 0.0° |
| O11 | C48 | N17 | H91 | 169.3° | 180.0° |
| C50 | C49 | H84 | H85 | 118.0° | 120.1° |
| C49 | C50 | C51 | C52 | 176.9° | 179.7° |
| C49 | C50 | C51 | C53 | 177.7° | 180.0° |
| C49 | C50 | C51 | H86 | 2.3° | 0.0° |
| C49 | C50 | C52 | C54 | 177.9° | 180.0° |
| C49 | C50 | C52 | H87 | 2.1° | 0.1° |
| H84 | C49 | C50 | C51 | 170.7° | 24.9° |
| H84 | C49 | C50 | C52 | 6.2° | 154.8° |
| H85 | C49 | C50 | C51 | 51.9° | 145.0° |
| H85 | C49 | C50 | C52 | 124.9° | 34.7° |
| C50 | C51 | C53 | H86 | 180.0° | 179.9° |
| C51 | C50 | C52 | C54 | 1.0° | 0.3° |
| C51 | C50 | C52 | H87 | 179.0° | 179.7° |
| C50 | C51 | C53 | C55 | 0.3° | 0.0° |
| C50 | C51 | C53 | H88 | 179.7° | 180.0° |
| C52 | C50 | C51 | C53 | 0.8° | 0.3° |
| C52 | C50 | C51 | H86 | 179.2° | 179.7° |
| C50 | C52 | C54 | H87 | 180.0° | 179.9° |
| C50 | C52 | C54 | C55 | 0.6° | 0.0° |
| C50 | C52 | C54 | H89 | 179.4° | 179.9° |
| C51 | C53 | C55 | H88 | 180.0° | 180.0° |
| C51 | C53 | C55 | C54 | 0.1° | 0.3° |
| C51 | C53 | C55 | O12 | 179.5° | 180.0° |
| H86 | C51 | C53 | C55 | 179.7° | 180.0° |
| H86 | C51 | C53 | H88 | 0.3° | 0.1° |
| C52 | C54 | C55 | C53 | 0.1° | 0.3° |
| C52 | C54 | C55 | H89 | 180.0° | 179.9° |
| C52 | C54 | C55 | O12 | 179.4° | 180.0° |
| H87 | C52 | C54 | C55 | 179.4° | 179.9° |
| H87 | C52 | C54 | H89 | 0.6° | 0.1° |
| C53 | C55 | C54 | O12 | 179.4° | 179.7° |
| C53 | C55 | C54 | H89 | 180.0° | 179.6° |
| C53 | C55 | O12 | H90 | 180.0° | 90.0° |
| H88 | C53 | C55 | C54 | 179.9° | 179.7° |
| H88 | C53 | C55 | O12 | 0.5° | 0.0° |
| C54 | C55 | O12 | H90 | 0.6° | 89.7° |
| H89 | C54 | C55 | O12 | 0.6° | 0.1° |
| C56 | N17 | H91 | C48 | 180.0° | 180.0° |
| N17 | C56 | C57 | C58 | 124.9° | 120.0° |
| N17 | C56 | C57 | H92 | 119.0° | 120.0° |
| N17 | C56 | C58 | H92 | 117.6° | 120.0° |
| N17 | C56 | C57 | O13 | 15.2° | 27.2° |
| N17 | C56 | C58 | C59 | 64.3° | 66.3° |
| N17 | C56 | C58 | H93 | 55.6° | 53.7° |
| N17 | C56 | C58 | H94 | 175.8° | 173.7° |
| N17 | C56 | C57 | N18 | 163.8° | 152.8° |
| H91 | N17 | C56 | C57 | 110.5° | 25.0° |
| H91 | N17 | C56 | C58 | 13.7° | 95.0° |
| H91 | N17 | C56 | H92 | 131.0° | 145.0° |
| C57 | C56 | C58 | H92 | 115.9° | 120.0° |
| C56 | C57 | O13 | N18 | 179.0° | 180.0° |
| C57 | C56 | C58 | C59 | 169.3° | 173.7° |
| C57 | C56 | C58 | H93 | 70.8° | 66.3° |
| C57 | C56 | C58 | H94 | 49.3° | 53.7° |
| C56 | C57 | N18 | C62 | 178.2° | 175.2° |
| C56 | C57 | N18 | C66 | 10.9° | 4.6° |
| C57 | C56 | N17 | C48 | 69.5° | 155.1° |
| C58 | C56 | C57 | O13 | 109.7° | 92.8° |
| C56 | C58 | C59 | H93 | 119.9° | 120.0° |
| C56 | C58 | C59 | H94 | 119.9° | 120.0° |
| C56 | C58 | H93 | H94 | 120.1° | 120.0° |
| C56 | C58 | C59 | C60 | 168.0° | 175.0° |
| C56 | C58 | C59 | C61 | 70.6° | 65.0° |
| C56 | C58 | C59 | H95 | 48.2° | 55.0° |
| C58 | C56 | N17 | C48 | 166.3° | 85.0° |
| C58 | C56 | C57 | N18 | 71.3° | 87.2° |
| H92 | C56 | C57 | O13 | 134.3° | 147.2° |
| H92 | C56 | C58 | C59 | 53.4° | 53.7° |
| H92 | C56 | C58 | H93 | 173.3° | 173.7° |
| H92 | C56 | C58 | H94 | 66.6° | 66.3° |
| H92 | C56 | N17 | C48 | 49.1° | 35.0° |
| H92 | C56 | C57 | N18 | 44.7° | 32.7° |
| O13 | C57 | N18 | C62 | 0.8° | 4.8° |
| O13 | C57 | N18 | C66 | 168.1° | 175.5° |
| C59 | C58 | H93 | H94 | 120.2° | 119.9° |
| C58 | C59 | C60 | C61 | 120.6° | 120.0° |
| C58 | C59 | C60 | H95 | 119.9° | 120.0° |
| C58 | C59 | C61 | H95 | 118.8° | 120.0° |
| C58 | C59 | C60 | H96 | 180.0° | 60.0° |
| C58 | C59 | C60 | H97 | 60.0° | 180.0° |
| C58 | C59 | C60 | H98 | 60.0° | 60.0° |
| C58 | C59 | C61 | H99 | 180.0° | 60.0° |
| C58 | C59 | C61 | H100 | 60.0° | 180.0° |
| C58 | C59 | C61 | H101 | 60.0° | 60.0° |
| H93 | C58 | C59 | C60 | 48.1° | 55.0° |
| H93 | C58 | C59 | C61 | 169.5° | 175.0° |
| H93 | C58 | C59 | H95 | 71.7° | 65.0° |
| H94 | C58 | C59 | C60 | 72.0° | 65.0° |
| H94 | C58 | C59 | C61 | 49.4° | 55.0° |
| H94 | C58 | C59 | H95 | 168.2° | 175.0° |
| C60 | C59 | C61 | H95 | 119.4° | 120.0° |
| C59 | C60 | H96 | H97 | 120.0° | 120.0° |
| C59 | C60 | H96 | H98 | 120.0° | 120.0° |
| C59 | C60 | H97 | H98 | 120.0° | 120.0° |
| C60 | C59 | C61 | H99 | 58.2° | 180.0° |
| C60 | C59 | C61 | H100 | 61.8° | 60.0° |
| C60 | C59 | C61 | H101 | 178.2° | 60.0° |
| C61 | C59 | C60 | H96 | 59.4° | 60.0° |
| C61 | C59 | C60 | H97 | 179.4° | 60.0° |
| C61 | C59 | C60 | H98 | 60.6° | 180.0° |
| C59 | C61 | H99 | H100 | 120.0° | 120.0° |
| C59 | C61 | H99 | H101 | 120.0° | 120.0° |
| C59 | C61 | H100 | H101 | 120.0° | 120.0° |
| H95 | C59 | C60 | H96 | 60.1° | 180.0° |
| H95 | C59 | C60 | H97 | 59.9° | 60.0° |
| H95 | C59 | C60 | H98 | 179.8° | 60.0° |
| H95 | C59 | C61 | H99 | 61.2° | 60.0° |
| H95 | C59 | C61 | H100 | 178.7° | 60.0° |
| H95 | C59 | C61 | H101 | 58.8° | 180.0° |
| H96 | C60 | H97 | H98 | 120.0° | 120.0° |
| H99 | C61 | H100 | H101 | 120.0° | 120.0° |
| C62 | N18 | C66 | C57 | 167.6° | 179.8° |
| N18 | C62 | C63 | C64 | 115.6° | 117.8° |
| N18 | C62 | C63 | H102 | 123.8° | 121.1° |
| N18 | C62 | C64 | H102 | 118.0° | 119.5° |
| N18 | C62 | C63 | O14 | 22.7° | 0.1° |
| N18 | C62 | C64 | C65 | 26.6° | 22.2° |
| N18 | C62 | C64 | H103 | 92.4° | 140.6° |
| N18 | C62 | C64 | H104 | 145.6° | 96.2° |
| C62 | N18 | C66 | C65 | 13.1° | 24.4° |
| C62 | N18 | C66 | H107 | 132.1° | 94.5° |
| C62 | N18 | C66 | H108 | 105.8° | 143.2° |
| N18 | C62 | C63 | N19 | 153.9° | 180.0° |
| C66 | N18 | C62 | C63 | 128.5° | 120.7° |
| C66 | N18 | C62 | C64 | 8.6° | 1.3° |
| C66 | N18 | C62 | H102 | 108.4° | 118.3° |
| N18 | C66 | C65 | C64 | 29.7° | 37.3° |
| N18 | C66 | C65 | H107 | 119.0° | 118.9° |
| N18 | C66 | C65 | H108 | 118.9° | 118.8° |
| N18 | C66 | C65 | H105 | 149.0° | 80.8° |
| N18 | C66 | C65 | H106 | 89.6° | 155.2° |
| N18 | C66 | H107 | H108 | 123.1° | 122.4° |
| C63 | C62 | C64 | H102 | 120.7° | 121.1° |
| C62 | C63 | O14 | N19 | 176.3° | 180.0° |
| C63 | C62 | C64 | C65 | 148.0° | 97.2° |
| C63 | C62 | C64 | H103 | 29.0° | 21.1° |
| C63 | C62 | C64 | H104 | 93.0° | 144.4° |
| C62 | C63 | N19 | C67 | 179.2° | 180.0° |
| C62 | C63 | N19 | H109 | 0.8° | 0.0° |
| C63 | C62 | N18 | C57 | 62.1° | 59.6° |
| C64 | C62 | C63 | O14 | 92.9° | 117.8° |
| C62 | C64 | C65 | H103 | 119.0° | 118.4° |
| C62 | C64 | C65 | H104 | 119.0° | 118.3° |
| C62 | C64 | H103 | H104 | 122.8° | 123.2° |
| C62 | C64 | C65 | C66 | 35.4° | 35.6° |
| C62 | C64 | C65 | H105 | 154.6° | 82.6° |
| C62 | C64 | C65 | H106 | 84.0° | 153.6° |
| C64 | C62 | N18 | C57 | 178.0° | 178.9° |
| C64 | C62 | C63 | N19 | 90.5° | 62.2° |
| H102 | C62 | C63 | O14 | 146.5° | 121.0° |
| H102 | C62 | C64 | C65 | 91.3° | 141.7° |
| H102 | C62 | C64 | H103 | 149.6° | 100.0° |
| H102 | C62 | C64 | H104 | 27.7° | 23.3° |
| H102 | C62 | N18 | C57 | 61.0° | 61.5° |
| H102 | C62 | C63 | N19 | 30.1° | 59.0° |
| O14 | C63 | N19 | C67 | 4.3° | 0.0° |
| O14 | C63 | N19 | H109 | 175.7° | 180.0° |
| C65 | C64 | H103 | H104 | 122.8° | 123.2° |
| C64 | C65 | C66 | H105 | 119.3° | 118.1° |
| C64 | C65 | C66 | H106 | 119.3° | 118.0° |
| C64 | C65 | H105 | H106 | 122.1° | 123.9° |
| C64 | C65 | C66 | H107 | 148.7° | 81.6° |
| C64 | C65 | C66 | H108 | 89.2° | 156.1° |
| H103 | C64 | C65 | C66 | 83.7° | 154.0° |
| H103 | C64 | C65 | H105 | 35.6° | 35.8° |
| H103 | C64 | C65 | H106 | 157.0° | 88.0° |
| H104 | C64 | C65 | C66 | 154.4° | 82.7° |
| H104 | C64 | C65 | H105 | 86.3° | 159.1° |
| H104 | C64 | C65 | H106 | 35.1° | 35.3° |
| C66 | C65 | H105 | H106 | 122.1° | 124.0° |
| C65 | C66 | H107 | H108 | 123.0° | 122.3° |
| C65 | C66 | N18 | C57 | 154.5° | 155.8° |
| H105 | C65 | C66 | H107 | 92.0° | 160.3° |
| H105 | C65 | C66 | H108 | 30.1° | 38.0° |
| H106 | C65 | C66 | H107 | 29.4° | 36.4° |
| H106 | C65 | C66 | H108 | 151.5° | 86.0° |
| H107 | C66 | N18 | C57 | 35.6° | 85.3° |
| H108 | C66 | N18 | C57 | 86.6° | 37.1° |
| C67 | N19 | H109 | C63 | 180.0° | 180.0° |
| N19 | C67 | C68 | C69 | 121.3° | 120.0° |
| N19 | C67 | C68 | H110 | 117.9° | 120.0° |
| N19 | C67 | C69 | H110 | 119.4° | 120.0° |
| N19 | C67 | C68 | O15 | 7.5° | 25.1° |
| N19 | C67 | C69 | C70 | 81.0° | 66.1° |
| N19 | C67 | C69 | H111 | 39.5° | 53.9° |
| N19 | C67 | C69 | H112 | 158.4° | 174.0° |
| N19 | C67 | C68 | N23 | 167.5° | 154.9° |
| H109 | N19 | C67 | C68 | 107.0° | 25.0° |
| H109 | N19 | C67 | C69 | 16.9° | 95.0° |
| H109 | N19 | C67 | H110 | 135.6° | 145.0° |
| C68 | C67 | C69 | H110 | 120.9° | 120.0° |
| C67 | C68 | O15 | N23 | 174.7° | 180.0° |
| C68 | C67 | C69 | C70 | 159.3° | 174.0° |
| C68 | C67 | C69 | H111 | 80.2° | 66.0° |
| C68 | C67 | C69 | H112 | 38.7° | 54.0° |
| C67 | C68 | N23 | C73 | 177.5° | 175.3° |
| C67 | C68 | N23 | C77 | 5.5° | 4.4° |
| C68 | C67 | N19 | C63 | 73.0° | 155.0° |
| C69 | C67 | C68 | O15 | 113.9° | 94.8° |
| C67 | C69 | C70 | H111 | 120.5° | 120.0° |
| C67 | C69 | C70 | H112 | 120.6° | 120.0° |
| C67 | C69 | H111 | H112 | 118.3° | 120.0° |
| C67 | C69 | C70 | C71 | 163.1° | 180.0° |
| C67 | C69 | C70 | H113 | 76.9° | 60.0° |
| C67 | C69 | C70 | H114 | 43.1° | 60.0° |
| C69 | C67 | N19 | C63 | 163.1° | 85.0° |
| C69 | C67 | C68 | N23 | 71.2° | 85.1° |
| H110 | C67 | C68 | O15 | 125.4° | 145.1° |
| H110 | C67 | C69 | C70 | 38.4° | 54.0° |
| H110 | C67 | C69 | H111 | 158.9° | 174.0° |
| H110 | C67 | C69 | H112 | 82.2° | 66.0° |
| H110 | C67 | N19 | C63 | 44.4° | 35.0° |
| H110 | C67 | C68 | N23 | 49.6° | 34.9° |
| O15 | C68 | N23 | C73 | 2.7° | 4.7° |
| O15 | C68 | N23 | C77 | 169.3° | 175.6° |
| C70 | C69 | H111 | H112 | 118.3° | 120.0° |
| C69 | C70 | C71 | H113 | 120.0° | 120.0° |
| C69 | C70 | C71 | H114 | 120.0° | 120.0° |
| C69 | C70 | H113 | H114 | 120.1° | 120.1° |
| C69 | C70 | C71 | N20 | 61.6° | 180.0° |
| C69 | C70 | C71 | H115 | 58.8° | 60.0° |
| C69 | C70 | C71 | H116 | 178.0° | 60.0° |
| H111 | C69 | C70 | C71 | 42.5° | 60.0° |
| H111 | C69 | C70 | H113 | 162.5° | 180.0° |
| H111 | C69 | C70 | H114 | 77.4° | 60.0° |
| H112 | C69 | C70 | C71 | 76.4° | 60.0° |
| H112 | C69 | C70 | H113 | 43.6° | 59.9° |
| H112 | C69 | C70 | H114 | 163.7° | 180.0° |
| C71 | C70 | H113 | H114 | 120.1° | 119.9° |
| C70 | C71 | N20 | H115 | 120.4° | 120.0° |
| C70 | C71 | N20 | H116 | 120.4° | 119.9° |
| C70 | C71 | H115 | H116 | 118.8° | 119.9° |
| C70 | C71 | N20 | C72 | 166.5° | 180.0° |
| C70 | C71 | N20 | H117 | 13.5° | 0.1° |
| H113 | C70 | C71 | N20 | 178.4° | 60.0° |
| H113 | C70 | C71 | H115 | 61.2° | 180.0° |
| H113 | C70 | C71 | H116 | 58.0° | 60.0° |
| H114 | C70 | C71 | N20 | 58.4° | 60.0° |
| H114 | C70 | C71 | H115 | 178.8° | 60.1° |
| H114 | C70 | C71 | H116 | 62.0° | 180.0° |
| N20 | C71 | H115 | H116 | 118.8° | 120.0° |
| C71 | N20 | C72 | H117 | 180.0° | 179.9° |
| C71 | N20 | C72 | N21 | 2.6° | 0.0° |
| C71 | N20 | C72 | N22 | 177.0° | 180.0° |
| H115 | C71 | N20 | C72 | 73.1° | 60.0° |
| H115 | C71 | N20 | H117 | 106.9° | 120.0° |
| H116 | C71 | N20 | C72 | 46.1° | 60.1° |
| H116 | C71 | N20 | H117 | 133.9° | 120.0° |
| N20 | C72 | N21 | N22 | 179.6° | 180.0° |
| N20 | C72 | N21 | H118 | 179.6° | 0.0° |
| N20 | C72 | N21 | H119 | 0.3° | 180.0° |
| N20 | C72 | N22 | H120 | 179.6° | 180.0° |
| N20 | C72 | N22 | H121 | 0.4° | 0.0° |
| H117 | N20 | C72 | N21 | 177.4° | 180.0° |
| H117 | N20 | C72 | N22 | 3.0° | 0.0° |
| C72 | N21 | H118 | H119 | 180.0° | 179.9° |
| N21 | C72 | N22 | H120 | 0.0° | 0.0° |
| N21 | C72 | N22 | H121 | 180.0° | 180.0° |
| N22 | C72 | N21 | H118 | 0.0° | 180.0° |
| N22 | C72 | N21 | H119 | 180.0° | 0.0° |
| C72 | N22 | H120 | H121 | 180.0° | 180.0° |
| C73 | N23 | C77 | C68 | 172.6° | 179.8° |
| N23 | C73 | C74 | C75 | 113.1° | 117.8° |
| N23 | C73 | C74 | H122 | 125.2° | 121.0° |
| N23 | C73 | C75 | H122 | 119.5° | 119.5° |
| N23 | C73 | C74 | O16 | 23.9° | 0.0° |
| N23 | C73 | C75 | C76 | 23.8° | 22.2° |
| N23 | C73 | C75 | H123 | 95.4° | 140.6° |
| N23 | C73 | C75 | H124 | 143.1° | 96.2° |
| C73 | N23 | C77 | C76 | 12.9° | 24.4° |
| C73 | N23 | C77 | H127 | 131.8° | 94.5° |
| C73 | N23 | C77 | H128 | 105.9° | 143.2° |
| N23 | C73 | C74 | N24 | 52.9° | 180.0° |
| C77 | N23 | C73 | C74 | 122.6° | 120.7° |
| C77 | N23 | C73 | C75 | 6.4° | 1.3° |
| C77 | N23 | C73 | H122 | 112.6° | 118.3° |
| N23 | C77 | C76 | C75 | 28.3° | 37.3° |
| N23 | C77 | C76 | H127 | 118.8° | 118.8° |
| N23 | C77 | C76 | H128 | 118.8° | 118.8° |
| N23 | C77 | C76 | H125 | 148.0° | 80.8° |
| N23 | C77 | C76 | H126 | 91.3° | 155.2° |
| N23 | C77 | H127 | H128 | 123.4° | 122.3° |
| C74 | C73 | C75 | H122 | 121.8° | 121.1° |
| C73 | C74 | O16 | N24 | 142.4° | 180.0° |
| C74 | C73 | C75 | C76 | 142.5° | 97.2° |
| C74 | C73 | C75 | H123 | 23.3° | 21.2° |
| C74 | C73 | C75 | H124 | 98.2° | 144.4° |
| C73 | C74 | N24 | C78 | 90.0° | 180.0° |
| C73 | C74 | N24 | H129 | 90.0° | 0.0° |
| C74 | C73 | N23 | C68 | 64.3° | 59.6° |
| C75 | C73 | C74 | O16 | 89.2° | 117.8° |
| C73 | C75 | C76 | H123 | 119.2° | 118.4° |
| C73 | C75 | C76 | H124 | 119.2° | 118.4° |
| C73 | C75 | H123 | H124 | 122.2° | 123.2° |
| C73 | C75 | C76 | C77 | 33.1° | 35.6° |
| C73 | C75 | C76 | H125 | 152.7° | 82.5° |
| C73 | C75 | C76 | H126 | 86.5° | 153.5° |
| C75 | C73 | N23 | C68 | 179.5° | 179.0° |
| C75 | C73 | C74 | N24 | 166.0° | 62.2° |
| H122 | C73 | C74 | O16 | 149.1° | 121.0° |
| H122 | C73 | C75 | C76 | 95.7° | 141.7° |
| H122 | C73 | C75 | H123 | 145.0° | 99.9° |
| H122 | C73 | C75 | H124 | 23.5° | 23.3° |
| H122 | C73 | N23 | C68 | 60.5° | 61.4° |
| H122 | C73 | C74 | N24 | 72.3° | 59.0° |
| O16 | C74 | N24 | C78 | 90.0° | 0.0° |
| O16 | C74 | N24 | H129 | 90.0° | 180.0° |
| C76 | C75 | H123 | H124 | 122.2° | 123.2° |
| C75 | C76 | C77 | H125 | 119.6° | 118.1° |
| C75 | C76 | C77 | H126 | 119.6° | 118.0° |
| C75 | C76 | H125 | H126 | 121.1° | 124.0° |
| C75 | C76 | C77 | H127 | 147.2° | 81.6° |
| C75 | C76 | C77 | H128 | 90.5° | 156.1° |
| H123 | C75 | C76 | C77 | 86.1° | 154.0° |
| H123 | C75 | C76 | H125 | 33.5° | 35.8° |
| H123 | C75 | C76 | H126 | 154.3° | 88.1° |
| H124 | C75 | C76 | C77 | 152.4° | 82.7° |
| H124 | C75 | C76 | H125 | 88.0° | 159.1° |
| H124 | C75 | C76 | H126 | 32.7° | 35.2° |
| C77 | C76 | H125 | H126 | 121.0° | 123.9° |
| C76 | C77 | H127 | H128 | 123.4° | 122.4° |
| C76 | C77 | N23 | C68 | 159.6° | 155.8° |
| H125 | C76 | C77 | H127 | 93.2° | 160.3° |
| H125 | C76 | C77 | H128 | 29.2° | 38.0° |
| H126 | C76 | C77 | H127 | 27.6° | 36.4° |
| H126 | C76 | C77 | H128 | 149.9° | 86.0° |
| H127 | C77 | N23 | C68 | 40.8° | 85.2° |
| H128 | C77 | N23 | C68 | 81.5° | 37.1° |
| C78 | N24 | H129 | C74 | 90.0° | 180.0° |
| N24 | C78 | C79 | C80 | 90.0° | 120.0° |
| N24 | C78 | C79 | H130 | 90.0° | 120.0° |
| N24 | C78 | C80 | H130 | 90.0° | 120.0° |
| N24 | C78 | C79 | O17 | 90.0° | 14.6° |
| N24 | C78 | C80 | C81 | 90.0° | 67.2° |
| N24 | C78 | C80 | H131 | 90.0° | 172.8° |
| N24 | C78 | C80 | H132 | 90.0° | 52.9° |
| N24 | C78 | C79 | N28 | 90.0° | 165.4° |
| H129 | N24 | C78 | C79 | 90.0° | 25.0° |
| H129 | N24 | C78 | C80 | 90.0° | 95.0° |
| H129 | N24 | C78 | H130 | 90.0° | 145.0° |
| C79 | C78 | C80 | H130 | 90.0° | 120.0° |
| C78 | C79 | O17 | N28 | 90.0° | 180.0° |
| C79 | C78 | C80 | C81 | 90.0° | 172.8° |
| C79 | C78 | C80 | H131 | 90.0° | 52.8° |
| C79 | C78 | C80 | H132 | 90.0° | 67.2° |
| C78 | C79 | N28 | C84 | 90.0° | 174.7° |
| C78 | C79 | N28 | C88 | 90.0° | 5.0° |
| C79 | C78 | N24 | C74 | 90.0° | 155.0° |
| C80 | C78 | C79 | O17 | 90.0° | 105.4° |
| C78 | C80 | C81 | H131 | 90.0° | 120.0° |
| C78 | C80 | C81 | H132 | 90.0° | 120.0° |
| C78 | C80 | H131 | H132 | 90.0° | 120.0° |
| C78 | C80 | C81 | C82 | 90.0° | 174.7° |
| C78 | C80 | C81 | H133 | 90.0° | 65.3° |
| C78 | C80 | C81 | H134 | 90.0° | 54.7° |
| C80 | C78 | N24 | C74 | 90.0° | 85.0° |
| C80 | C78 | C79 | N28 | 90.0° | 74.6° |
| H130 | C78 | C79 | O17 | 90.0° | 134.6° |
| H130 | C78 | C80 | C81 | 90.0° | 52.8° |
| H130 | C78 | C80 | H131 | 90.0° | 67.2° |
| H130 | C78 | C80 | H132 | 90.0° | 172.8° |
| H130 | C78 | N24 | C74 | 90.0° | 35.0° |
| H130 | C78 | C79 | N28 | 90.0° | 45.4° |
| O17 | C79 | N28 | C84 | 90.0° | 5.2° |
| O17 | C79 | N28 | C88 | 90.0° | 175.0° |
| C81 | C80 | H131 | H132 | 90.0° | 120.0° |
| C80 | C81 | C82 | H133 | 90.0° | 120.0° |
| C80 | C81 | C82 | H134 | 90.0° | 120.0° |
| C80 | C81 | H133 | H134 | 90.0° | 120.0° |
| C80 | C81 | C82 | N25 | 90.0° | 175.1° |
| C80 | C81 | C82 | H135 | 90.0° | 64.9° |
| C80 | C81 | C82 | H136 | 90.0° | 55.1° |
| H131 | C80 | C81 | C82 | 90.0° | 54.7° |
| H131 | C80 | C81 | H133 | 90.0° | 174.7° |
| H131 | C80 | C81 | H134 | 90.0° | 65.3° |
| H132 | C80 | C81 | C82 | 90.0° | 65.3° |
| H132 | C80 | C81 | H133 | 90.0° | 54.7° |
| H132 | C80 | C81 | H134 | 90.0° | 174.8° |
| C82 | C81 | H133 | H134 | 90.0° | 120.0° |
| C81 | C82 | N25 | H135 | 90.0° | 120.0° |
| C81 | C82 | N25 | H136 | 90.0° | 119.9° |
| C81 | C82 | H135 | H136 | 90.0° | 120.0° |
| C81 | C82 | N25 | C83 | 90.0° | 180.0° |
| C81 | C82 | N25 | H137 | 90.0° | 0.1° |
| H133 | C81 | C82 | N25 | 90.0° | 55.1° |
| H133 | C81 | C82 | H135 | 90.0° | 175.1° |
| H133 | C81 | C82 | H136 | 90.0° | 64.9° |
| H134 | C81 | C82 | N25 | 90.0° | 65.0° |
| H134 | C81 | C82 | H135 | 90.0° | 55.1° |
| H134 | C81 | C82 | H136 | 90.0° | 175.1° |
| N25 | C82 | H135 | H136 | 90.0° | 120.0° |
| C82 | N25 | C83 | H137 | 90.0° | 179.9° |
| C82 | N25 | C83 | N26 | 90.0° | 0.1° |
| C82 | N25 | C83 | N27 | 90.0° | 180.0° |
| H135 | C82 | N25 | C83 | 90.0° | 59.9° |
| H135 | C82 | N25 | H137 | 90.0° | 119.9° |
| H136 | C82 | N25 | C83 | 90.0° | 60.1° |
| H136 | C82 | N25 | H137 | 90.0° | 120.0° |
| N25 | C83 | N26 | N27 | 90.0° | 180.0° |
| N25 | C83 | N26 | H138 | 90.0° | 0.0° |
| N25 | C83 | N26 | H139 | 90.0° | 179.9° |
| N25 | C83 | N27 | H140 | 90.0° | 179.9° |
| N25 | C83 | N27 | H141 | 90.0° | 0.1° |
| H137 | N25 | C83 | N26 | 90.0° | 180.0° |
| H137 | N25 | C83 | N27 | 90.0° | 0.1° |
| C83 | N26 | H138 | H139 | 90.0° | 180.0° |
| N26 | C83 | N27 | H140 | 90.0° | 0.0° |
| N26 | C83 | N27 | H141 | 90.0° | 180.0° |
| N27 | C83 | N26 | H138 | 90.0° | 180.0° |
| N27 | C83 | N26 | H139 | 90.0° | 0.0° |
| C83 | N27 | H140 | H141 | 90.0° | 180.0° |
| C84 | N28 | C88 | C79 | 90.0° | 179.8° |
| N28 | C84 | C85 | C86 | 90.0° | 117.7° |
| N28 | C84 | C85 | H142 | 90.0° | 121.0° |
| N28 | C84 | C86 | H142 | 90.0° | 119.5° |
| N28 | C84 | C85 | O18 | 90.0° | 14.3° |
| N28 | C84 | C86 | C87 | 90.0° | 22.2° |
| N28 | C84 | C86 | H143 | 90.0° | 140.6° |
| N28 | C84 | C86 | H144 | 90.0° | 96.2° |
| C84 | N28 | C88 | C87 | 90.0° | 24.5° |
| C84 | N28 | C88 | H147 | 90.0° | 94.5° |
| C84 | N28 | C88 | H148 | 90.0° | 143.2° |
| N28 | C84 | C85 | N29 | 90.0° | 165.7° |
| C88 | N28 | C84 | C85 | 90.0° | 118.1° |
| C88 | N28 | C84 | C86 | 90.0° | 1.3° |
| C88 | N28 | C84 | H142 | 90.0° | 120.9° |
| N28 | C88 | C87 | C86 | 90.0° | 37.3° |
| N28 | C88 | C87 | H147 | 90.0° | 118.9° |
| N28 | C88 | C87 | H148 | 90.0° | 118.7° |
| N28 | C88 | C87 | H145 | 90.0° | 80.8° |
| N28 | C88 | C87 | H146 | 90.0° | 155.2° |
| N28 | C88 | H147 | H148 | 90.0° | 122.3° |
| C85 | C84 | C86 | H142 | 90.0° | 121.2° |
| C84 | C85 | O18 | N29 | 90.0° | 179.9° |
| C85 | C84 | C86 | C87 | 90.0° | 141.6° |
| C85 | C84 | C86 | H143 | 90.0° | 100.1° |
| C85 | C84 | C86 | H144 | 90.0° | 23.2° |
| C84 | C85 | N29 | C89 | 90.0° | 175.0° |
| C84 | C85 | N29 | C93 | 90.0° | 5.3° |
| C85 | C84 | N28 | C79 | 90.0° | 61.6° |
| C86 | C84 | C85 | O18 | 90.0° | 103.4° |
| C84 | C86 | C87 | H143 | 90.0° | 118.3° |
| C84 | C86 | C87 | H144 | 90.0° | 118.4° |
| C84 | C86 | H143 | H144 | 90.0° | 123.2° |
| C84 | C86 | C87 | C88 | 90.0° | 35.7° |
| C84 | C86 | C87 | H145 | 90.0° | 82.5° |
| C84 | C86 | C87 | H146 | 90.0° | 153.6° |
| C86 | C84 | N28 | C79 | 90.0° | 179.0° |
| C86 | C84 | C85 | N29 | 90.0° | 76.5° |
| H142 | C84 | C85 | O18 | 90.0° | 135.3° |
| H142 | C84 | C86 | C87 | 90.0° | 97.2° |
| H142 | C84 | C86 | H143 | 90.0° | 21.1° |
| H142 | C84 | C86 | H144 | 90.0° | 144.4° |
| H142 | C84 | N28 | C79 | 90.0° | 59.4° |
| H142 | C84 | C85 | N29 | 90.0° | 44.7° |
| O18 | C85 | N29 | C89 | 90.0° | 5.1° |
| O18 | C85 | N29 | C93 | 90.0° | 174.6° |
| C87 | C86 | H143 | H144 | 90.0° | 123.2° |
| C86 | C87 | C88 | H145 | 90.0° | 118.1° |
| C86 | C87 | C88 | H146 | 90.0° | 117.9° |
| C86 | C87 | H145 | H146 | 90.0° | 123.9° |
| C86 | C87 | C88 | H147 | 90.0° | 81.6° |
| C86 | C87 | C88 | H148 | 90.0° | 156.0° |
| H143 | C86 | C87 | C88 | 90.0° | 154.0° |
| H143 | C86 | C87 | H145 | 90.0° | 35.8° |
| H143 | C86 | C87 | H146 | 90.0° | 88.1° |
| H144 | C86 | C87 | C88 | 90.0° | 82.7° |
| H144 | C86 | C87 | H145 | 90.0° | 159.1° |
| H144 | C86 | C87 | H146 | 90.0° | 35.2° |
| C88 | C87 | H145 | H146 | 90.0° | 124.0° |
| C87 | C88 | H147 | H148 | 90.0° | 122.3° |
| C87 | C88 | N28 | C79 | 90.0° | 155.8° |
| H145 | C87 | C88 | H147 | 90.0° | 160.4° |
| H145 | C87 | C88 | H148 | 90.0° | 38.0° |
| H146 | C87 | C88 | H147 | 90.0° | 36.4° |
| H146 | C87 | C88 | H148 | 90.0° | 86.0° |
| H147 | C88 | N28 | C79 | 90.0° | 85.3° |
| H148 | C88 | N28 | C79 | 90.0° | 37.1° |
| C89 | N29 | C93 | C85 | 90.0° | 179.8° |
| N29 | C89 | C90 | C91 | 90.0° | 117.8° |
| N29 | C89 | C90 | H149 | 90.0° | 121.0° |
| N29 | C89 | C91 | H149 | 90.0° | 119.5° |
| N29 | C89 | C90 | O19 | 90.0° | 154.7° |
| N29 | C89 | C91 | C92 | 90.0° | 22.2° |
| N29 | C89 | C91 | H150 | 90.0° | 140.6° |
| N29 | C89 | C91 | H151 | 90.0° | 96.2° |
| C89 | N29 | C93 | C92 | 90.0° | 24.4° |
| C89 | N29 | C93 | H154 | 90.0° | 94.5° |
| C89 | N29 | C93 | H155 | 90.0° | 143.1° |
| N29 | C89 | C90 | N30 | 90.0° | 25.4° |
| C93 | N29 | C89 | C90 | 90.0° | 118.1° |
| C93 | N29 | C89 | C91 | 90.0° | 1.3° |
| C93 | N29 | C89 | H149 | 90.0° | 120.9° |
| N29 | C93 | C92 | C91 | 90.0° | 37.3° |
| N29 | C93 | C92 | H154 | 90.0° | 118.8° |
| N29 | C93 | C92 | H155 | 90.0° | 118.7° |
| N29 | C93 | C92 | H152 | 90.0° | 80.8° |
| N29 | C93 | C92 | H153 | 90.0° | 155.3° |
| N29 | C93 | H154 | H155 | 90.0° | 122.3° |
| C90 | C89 | C91 | H149 | 90.0° | 121.1° |
| C89 | C90 | O19 | N30 | 90.0° | 179.9° |
| C90 | C89 | C91 | C92 | 90.0° | 141.6° |
| C90 | C89 | C91 | H150 | 90.0° | 100.0° |
| C90 | C89 | C91 | H151 | 90.0° | 23.2° |
| C89 | C90 | N30 | C94 | 90.0° | 175.0° |
| C89 | C90 | N30 | H156 | 90.0° | 4.9° |
| C90 | C89 | N29 | C85 | 90.0° | 61.6° |
| C91 | C89 | C90 | O19 | 90.0° | 87.5° |
| C89 | C91 | C92 | H150 | 90.0° | 118.3° |
| C89 | C91 | C92 | H151 | 90.0° | 118.3° |
| C89 | C91 | H150 | H151 | 90.0° | 123.2° |
| C89 | C91 | C92 | C93 | 90.0° | 35.7° |
| C89 | C91 | C92 | H152 | 90.0° | 82.6° |
| C89 | C91 | C92 | H153 | 90.0° | 153.6° |
| C91 | C89 | N29 | C85 | 90.0° | 179.0° |
| C91 | C89 | C90 | N30 | 90.0° | 92.4° |
| H149 | C89 | C90 | O19 | 90.0° | 33.7° |
| H149 | C89 | C91 | C92 | 90.0° | 97.3° |
| H149 | C89 | C91 | H150 | 90.0° | 21.0° |
| H149 | C89 | C91 | H151 | 90.0° | 144.3° |
| H149 | C89 | N29 | C85 | 90.0° | 59.3° |
| H149 | C89 | C90 | N30 | 90.0° | 146.4° |
| O19 | C90 | N30 | C94 | 90.0° | 5.0° |
| O19 | C90 | N30 | H156 | 90.0° | 175.1° |
| C92 | C91 | H150 | H151 | 90.0° | 123.3° |
| C91 | C92 | C93 | H152 | 90.0° | 118.1° |
| C91 | C92 | C93 | H153 | 90.0° | 118.0° |
| C91 | C92 | H152 | H153 | 90.0° | 123.9° |
| C91 | C92 | C93 | H154 | 90.0° | 81.5° |
| C91 | C92 | C93 | H155 | 90.0° | 156.1° |
| H150 | C91 | C92 | C93 | 90.0° | 154.0° |
| H150 | C91 | C92 | H152 | 90.0° | 35.7° |
| H150 | C91 | C92 | H153 | 90.0° | 88.1° |
| H151 | C91 | C92 | C93 | 90.0° | 82.7° |
| H151 | C91 | C92 | H152 | 90.0° | 159.0° |
| H151 | C91 | C92 | H153 | 90.0° | 35.2° |
| C93 | C92 | H152 | H153 | 90.0° | 123.9° |
| C92 | C93 | H154 | H155 | 90.0° | 122.3° |
| C92 | C93 | N29 | C85 | 90.0° | 155.8° |
| H152 | C92 | C93 | H154 | 90.0° | 160.3° |
| H152 | C92 | C93 | H155 | 90.0° | 37.9° |
| H153 | C92 | C93 | H154 | 90.0° | 36.4° |
| H153 | C92 | C93 | H155 | 90.0° | 86.0° |
| H154 | C93 | N29 | C85 | 90.0° | 85.3° |
| H155 | C93 | N29 | C85 | 90.0° | 37.1° |
| C94 | N30 | H156 | C90 | 90.0° | 179.9° |
| N30 | C94 | C95 | C96 | 90.0° | 120.1° |
| N30 | C94 | C95 | H157 | 90.0° | 119.9° |
| N30 | C94 | C96 | H157 | 90.0° | 119.9° |
| N30 | C94 | C95 | O20 | 90.0° | 0.0° |
| N30 | C94 | C96 | C97 | 90.0° | 64.5° |
| N30 | C94 | C96 | H158 | 90.0° | 175.5° |
| N30 | C94 | C96 | H159 | 90.0° | 55.5° |
| N30 | C94 | C95 | N34 | 90.0° | 180.0° |
| H156 | N30 | C94 | C95 | 90.0° | 38.8° |
| H156 | N30 | C94 | C96 | 90.0° | 81.2° |
| H156 | N30 | C94 | H157 | 90.0° | 158.8° |
| C95 | C94 | C96 | H157 | 90.0° | 120.0° |
| C94 | C95 | O20 | N34 | 90.0° | 180.0° |
| C95 | C94 | C96 | C97 | 90.0° | 175.4° |
| C95 | C94 | C96 | H158 | 90.0° | 55.4° |
| C95 | C94 | C96 | H159 | 90.0° | 64.6° |
| C94 | C95 | N34 | C100 | 90.0° | 180.0° |
| C94 | C95 | N34 | C104 | 90.0° | 0.3° |
| C95 | C94 | N30 | C90 | 90.0° | 141.1° |
| C96 | C94 | C95 | O20 | 90.0° | 120.0° |
| C94 | C96 | C97 | H158 | 90.0° | 120.0° |
| C94 | C96 | C97 | H159 | 90.0° | 120.0° |
| C94 | C96 | H158 | H159 | 90.0° | 120.0° |
| C94 | C96 | C97 | C98 | 90.0° | 177.8° |
| C94 | C96 | C97 | H160 | 90.0° | 57.8° |
| C94 | C96 | C97 | H161 | 90.0° | 62.2° |
| C96 | C94 | N30 | C90 | 90.0° | 98.9° |
| C96 | C94 | C95 | N34 | 90.0° | 60.0° |
| H157 | C94 | C95 | O20 | 90.0° | 120.0° |
| H157 | C94 | C96 | C97 | 90.0° | 55.4° |
| H157 | C94 | C96 | H158 | 90.0° | 64.6° |
| H157 | C94 | C96 | H159 | 90.0° | 175.4° |
| H157 | C94 | N30 | C90 | 90.0° | 21.1° |
| H157 | C94 | C95 | N34 | 90.0° | 60.0° |
| O20 | C95 | N34 | C100 | 90.0° | 0.0° |
| O20 | C95 | N34 | C104 | 90.0° | 179.7° |
| C97 | C96 | H158 | H159 | 90.0° | 120.0° |
| C96 | C97 | C98 | H160 | 90.0° | 120.0° |
| C96 | C97 | C98 | H161 | 90.0° | 120.0° |
| C96 | C97 | H160 | H161 | 90.0° | 120.0° |
| C96 | C97 | C98 | N31 | 90.0° | 175.1° |
| C96 | C97 | C98 | H162 | 90.0° | 55.1° |
| C96 | C97 | C98 | H163 | 90.0° | 64.8° |
| H158 | C96 | C97 | C98 | 90.0° | 62.2° |
| H158 | C96 | C97 | H160 | 90.0° | 177.8° |
| H158 | C96 | C97 | H161 | 90.0° | 57.8° |
| H159 | C96 | C97 | C98 | 90.0° | 57.8° |
| H159 | C96 | C97 | H160 | 90.0° | 62.2° |
| H159 | C96 | C97 | H161 | 90.0° | 177.8° |
| C98 | C97 | H160 | H161 | 90.0° | 120.0° |
| C97 | C98 | N31 | H162 | 90.0° | 120.0° |
| C97 | C98 | N31 | H163 | 90.0° | 120.1° |
| C97 | C98 | H162 | H163 | 90.0° | 120.0° |
| C97 | C98 | N31 | C99 | 90.0° | 175.1° |
| C97 | C98 | N31 | H164 | 90.0° | 4.9° |
| H160 | C97 | C98 | N31 | 90.0° | 64.9° |
| H160 | C97 | C98 | H162 | 90.0° | 175.1° |
| H160 | C97 | C98 | H163 | 90.0° | 55.1° |
| H161 | C97 | C98 | N31 | 90.0° | 55.1° |
| H161 | C97 | C98 | H162 | 90.0° | 64.9° |
| H161 | C97 | C98 | H163 | 90.0° | 175.2° |
| N31 | C98 | H162 | H163 | 90.0° | 120.0° |
| C98 | N31 | C99 | H164 | 90.0° | 180.0° |
| C98 | N31 | C99 | N32 | 90.0° | 5.3° |
| C98 | N31 | C99 | N33 | 90.0° | 174.7° |
| H162 | C98 | N31 | C99 | 90.0° | 65.0° |
| H162 | C98 | N31 | H164 | 90.0° | 115.1° |
| H163 | C98 | N31 | C99 | 90.0° | 55.0° |
| H163 | C98 | N31 | H164 | 90.0° | 125.0° |
| N31 | C99 | N32 | N33 | 90.0° | 180.0° |
| N31 | C99 | N32 | H165 | 90.0° | 0.0° |
| N31 | C99 | N32 | H166 | 90.0° | 180.0° |
| N31 | C99 | N33 | H167 | 90.0° | 4.9° |
| N31 | C99 | N33 | H168 | 90.0° | 174.9° |
| H164 | N31 | C99 | N32 | 90.0° | 174.7° |
| H164 | N31 | C99 | N33 | 90.0° | 5.2° |
| C99 | N32 | H165 | H166 | 90.0° | 179.9° |
| N32 | C99 | N33 | H167 | 90.0° | 175.0° |
| N32 | C99 | N33 | H168 | 90.0° | 5.1° |
| N33 | C99 | N32 | H165 | 90.0° | 180.0° |
| N33 | C99 | N32 | H166 | 90.0° | 0.1° |
| C99 | N33 | H167 | H168 | 90.0° | 179.9° |
| C100 | N34 | C104 | C95 | 90.0° | 179.7° |
| N34 | C100 | C101 | C102 | 90.0° | 117.8° |
| N34 | C100 | C101 | H169 | 90.0° | 121.0° |
| N34 | C100 | C102 | H169 | 90.0° | 119.5° |
| N34 | C100 | C101 | O21 | 90.0° | 0.0° |
| N34 | C100 | C102 | C103 | 90.0° | 22.2° |
| N34 | C100 | C102 | H170 | 90.0° | 140.6° |
| N34 | C100 | C102 | H171 | 90.0° | 96.2° |
| C100 | N34 | C104 | C103 | 90.0° | 24.5° |
| C100 | N34 | C104 | H174 | 90.0° | 94.5° |
| C100 | N34 | C104 | H175 | 90.0° | 143.2° |
| N34 | C100 | C101 | N35 | 90.0° | 180.0° |
| C104 | N34 | C100 | C101 | 90.0° | 118.1° |
| C104 | N34 | C100 | C102 | 90.0° | 1.3° |
| C104 | N34 | C100 | H169 | 90.0° | 120.9° |
| N34 | C104 | C103 | C102 | 90.0° | 37.3° |
| N34 | C104 | C103 | H174 | 90.0° | 118.9° |
| N34 | C104 | C103 | H175 | 90.0° | 118.7° |
| N34 | C104 | C103 | H172 | 90.0° | 80.8° |
| N34 | C104 | C103 | H173 | 90.0° | 155.3° |
| N34 | C104 | H174 | H175 | 90.0° | 122.2° |
| C101 | C100 | C102 | H169 | 90.0° | 121.1° |
| C100 | C101 | O21 | N35 | 90.0° | 180.0° |
| C101 | C100 | C102 | C103 | 90.0° | 141.6° |
| C101 | C100 | C102 | H170 | 90.0° | 100.0° |
| C101 | C100 | C102 | H171 | 90.0° | 23.2° |
| C100 | C101 | N35 | C105 | 90.0° | 180.0° |
| C100 | C101 | N35 | H176 | 90.0° | 0.0° |
| C101 | C100 | N34 | C95 | 90.0° | 61.6° |
| C102 | C100 | C101 | O21 | 90.0° | 117.8° |
| C100 | C102 | C103 | H170 | 90.0° | 118.4° |
| C100 | C102 | C103 | H171 | 90.0° | 118.4° |
| C100 | C102 | H170 | H171 | 90.0° | 123.2° |
| C100 | C102 | C103 | C104 | 90.0° | 35.6° |
| C100 | C102 | C103 | H172 | 90.0° | 82.6° |
| C100 | C102 | C103 | H173 | 90.0° | 153.6° |
| C102 | C100 | N34 | C95 | 90.0° | 179.0° |
| C102 | C100 | C101 | N35 | 90.0° | 62.2° |
| H169 | C100 | C101 | O21 | 90.0° | 121.0° |
| H169 | C100 | C102 | C103 | 90.0° | 97.3° |
| H169 | C100 | C102 | H170 | 90.0° | 21.1° |
| H169 | C100 | C102 | H171 | 90.0° | 144.3° |
| H169 | C100 | N34 | C95 | 90.0° | 59.4° |
| H169 | C100 | C101 | N35 | 90.0° | 59.0° |
| O21 | C101 | N35 | C105 | 90.0° | 0.0° |
| O21 | C101 | N35 | H176 | 90.0° | 180.0° |
| C103 | C102 | H170 | H171 | 90.0° | 123.3° |
| C102 | C103 | C104 | H172 | 90.0° | 118.1° |
| C102 | C103 | C104 | H173 | 90.0° | 118.0° |
| C102 | C103 | H172 | H173 | 90.0° | 123.9° |
| C102 | C103 | C104 | H174 | 90.0° | 81.6° |
| C102 | C103 | C104 | H175 | 90.0° | 156.1° |
| H170 | C102 | C103 | C104 | 90.0° | 154.0° |
| H170 | C102 | C103 | H172 | 90.0° | 35.8° |
| H170 | C102 | C103 | H173 | 90.0° | 88.0° |
| H171 | C102 | C103 | C104 | 90.0° | 82.7° |
| H171 | C102 | C103 | H172 | 90.0° | 159.0° |
| H171 | C102 | C103 | H173 | 90.0° | 35.2° |
| C104 | C103 | H172 | H173 | 90.0° | 124.0° |
| C103 | C104 | H174 | H175 | 90.0° | 122.3° |
| C103 | C104 | N34 | C95 | 90.0° | 155.8° |
| H172 | C103 | C104 | H174 | 90.0° | 160.3° |
| H172 | C103 | C104 | H175 | 90.0° | 38.0° |
| H173 | C103 | C104 | H174 | 90.0° | 36.4° |
| H173 | C103 | C104 | H175 | 90.0° | 86.0° |
| H174 | C104 | N34 | C95 | 90.0° | 85.2° |
| H175 | C104 | N34 | C95 | 90.0° | 37.1° |
| C105 | N35 | H176 | C101 | 90.0° | 180.0° |
| N35 | C105 | C106 | C107 | 90.0° | 120.0° |
| N35 | C105 | C106 | H177 | 90.0° | 120.0° |
| N35 | C105 | C107 | H177 | 90.0° | 119.9° |
| N35 | C105 | C106 | O22 | 90.0° | 7.4° |
| N35 | C105 | C107 | C108 | 90.0° | 55.4° |
| N35 | C105 | C107 | C109 | 90.0° | 64.6° |
| N35 | C105 | C107 | H178 | 90.0° | 175.4° |
| N35 | C105 | C106 | N36 | 90.0° | 172.7° |
| H176 | N35 | C105 | C106 | 90.0° | 25.0° |
| H176 | N35 | C105 | C107 | 90.0° | 95.0° |
| H176 | N35 | C105 | H177 | 90.0° | 145.0° |
| C106 | C105 | C107 | H177 | 90.0° | 120.1° |
| C105 | C106 | O22 | N36 | 90.0° | 180.0° |
| C106 | C105 | C107 | C108 | 90.0° | 64.5° |
| C106 | C105 | C107 | C109 | 90.0° | 175.4° |
| C106 | C105 | C107 | H178 | 90.0° | 55.4° |
| C105 | C106 | N36 | C110 | 90.0° | 175.0° |
| C105 | C106 | N36 | H185 | 90.0° | 5.0° |
| C106 | C105 | N35 | C101 | 90.0° | 155.0° |
| C107 | C105 | C106 | O22 | 90.0° | 112.6° |
| C105 | C107 | C108 | C109 | 90.0° | 120.0° |
| C105 | C107 | C108 | H178 | 90.0° | 120.0° |
| C105 | C107 | C109 | H178 | 90.0° | 120.0° |
| C105 | C107 | C108 | H179 | 90.0° | 60.1° |
| C105 | C107 | C108 | H180 | 90.0° | 180.0° |
| C105 | C107 | C108 | H181 | 90.0° | 60.0° |
| C105 | C107 | C109 | H182 | 90.0° | 53.5° |
| C105 | C107 | C109 | H183 | 90.0° | 173.5° |
| C105 | C107 | C109 | H184 | 90.0° | 66.5° |
| C107 | C105 | N35 | C101 | 90.0° | 85.0° |
| C107 | C105 | C106 | N36 | 90.0° | 67.4° |
| H177 | C105 | C106 | O22 | 90.0° | 127.3° |
| H177 | C105 | C107 | C108 | 90.0° | 175.4° |
| H177 | C105 | C107 | C109 | 90.0° | 55.4° |
| H177 | C105 | C107 | H178 | 90.0° | 64.7° |
| H177 | C105 | N35 | C101 | 90.0° | 35.0° |
| H177 | C105 | C106 | N36 | 90.0° | 52.7° |
| O22 | C106 | N36 | C110 | 90.0° | 5.0° |
| O22 | C106 | N36 | H185 | 90.0° | 175.0° |
| C108 | C107 | C109 | H178 | 90.0° | 120.0° |
| C107 | C108 | H179 | H180 | 90.0° | 120.0° |
| C107 | C108 | H179 | H181 | 90.0° | 120.0° |
| C107 | C108 | H180 | H181 | 90.0° | 120.0° |
| C108 | C107 | C109 | H182 | 90.0° | 173.5° |
| C108 | C107 | C109 | H183 | 90.0° | 66.5° |
| C108 | C107 | C109 | H184 | 90.0° | 53.5° |
| C109 | C107 | C108 | H179 | 90.0° | 60.0° |
| C109 | C107 | C108 | H180 | 90.0° | 60.0° |
| C109 | C107 | C108 | H181 | 90.0° | 180.0° |
| C107 | C109 | H182 | H183 | 90.0° | 120.0° |
| C107 | C109 | H182 | H184 | 90.0° | 120.0° |
| C107 | C109 | H183 | H184 | 90.0° | 120.0° |
| H178 | C107 | C108 | H179 | 90.0° | 180.0° |
| H178 | C107 | C108 | H180 | 90.0° | 60.0° |
| H178 | C107 | C108 | H181 | 90.0° | 60.0° |
| H178 | C107 | C109 | H182 | 90.0° | 66.5° |
| H178 | C107 | C109 | H183 | 90.0° | 53.5° |
| H178 | C107 | C109 | H184 | 90.0° | 173.5° |
| H179 | C108 | H180 | H181 | 90.0° | 120.0° |
| H182 | C109 | H183 | H184 | 90.0° | 120.0° |
| C110 | N36 | H185 | C106 | 90.0° | 180.0° |
| N36 | C110 | C111 | C112 | 90.0° | 120.0° |
| N36 | C110 | C111 | H186 | 90.0° | 119.9° |
| N36 | C110 | C112 | H186 | 90.0° | 120.0° |
| N36 | C110 | C111 | O23 | 90.0° | 0.1° |
| N36 | C110 | C111 | O24 | 90.0° | 180.0° |
| N36 | C110 | C112 | C113 | 90.0° | 65.0° |
| N36 | C110 | C112 | H187 | 90.0° | 175.0° |
| N36 | C110 | C112 | H188 | 90.0° | 55.0° |
| H185 | N36 | C110 | C111 | 90.0° | 95.1° |
| H185 | N36 | C110 | C112 | 90.0° | 25.0° |
| H185 | N36 | C110 | H186 | 90.0° | 145.0° |
| C111 | C110 | C112 | H186 | 90.0° | 120.0° |
| C110 | C111 | O23 | O24 | 90.0° | 179.9° |
| C111 | C110 | C112 | C113 | 90.0° | 175.0° |
| C111 | C110 | C112 | H187 | 90.0° | 55.0° |
| C111 | C110 | C112 | H188 | 90.0° | 65.0° |
| C110 | C111 | O24 | H198 | 90.0° | 180.0° |
| C111 | C110 | N36 | C106 | 90.0° | 85.0° |
| C112 | C110 | C111 | O23 | 90.0° | 119.9° |
| C112 | C110 | C111 | O24 | 90.0° | 59.9° |
| C110 | C112 | C113 | H187 | 90.0° | 120.0° |
| C110 | C112 | C113 | H188 | 90.0° | 120.0° |
| C110 | C112 | H187 | H188 | 90.0° | 120.0° |
| C110 | C112 | C113 | C114 | 90.0° | 180.0° |
| C110 | C112 | C113 | H189 | 90.0° | 60.0° |
| C110 | C112 | C113 | H190 | 90.0° | 60.0° |
| C112 | C110 | N36 | C106 | 90.0° | 155.0° |
| H186 | C110 | C111 | O23 | 90.0° | 120.0° |
| H186 | C110 | C111 | O24 | 90.0° | 60.1° |
| H186 | C110 | C112 | C113 | 90.0° | 55.0° |
| H186 | C110 | C112 | H187 | 90.0° | 65.0° |
| H186 | C110 | C112 | H188 | 90.0° | 175.0° |
| H186 | C110 | N36 | C106 | 90.0° | 34.9° |
| O23 | C111 | O24 | H198 | 90.0° | 0.1° |
| C113 | C112 | H187 | H188 | 90.0° | 119.9° |
| C112 | C113 | C114 | H189 | 90.0° | 120.0° |
| C112 | C113 | C114 | H190 | 90.0° | 120.0° |
| C112 | C113 | H189 | H190 | 90.0° | 120.0° |
| C112 | C113 | C114 | N37 | 90.0° | 180.0° |
| C112 | C113 | C114 | H191 | 90.0° | 60.0° |
| C112 | C113 | C114 | H192 | 90.0° | 60.0° |
| H187 | C112 | C113 | C114 | 90.0° | 60.0° |
| H187 | C112 | C113 | H189 | 90.0° | 180.0° |
| H187 | C112 | C113 | H190 | 90.0° | 60.0° |
| H188 | C112 | C113 | C114 | 90.0° | 60.0° |
| H188 | C112 | C113 | H189 | 90.0° | 60.0° |
| H188 | C112 | C113 | H190 | 90.0° | 180.0° |
| C114 | C113 | H189 | H190 | 90.0° | 119.9° |
| C113 | C114 | N37 | H191 | 90.0° | 120.0° |
| C113 | C114 | N37 | H192 | 90.0° | 120.0° |
| C113 | C114 | H191 | H192 | 90.0° | 119.9° |
| C113 | C114 | N37 | C115 | 90.0° | 180.0° |
| C113 | C114 | N37 | H193 | 90.0° | 0.0° |
| H189 | C113 | C114 | N37 | 90.0° | 60.0° |
| H189 | C113 | C114 | H191 | 90.0° | NaN° |
| H189 | C113 | C114 | H192 | 90.0° | 60.1° |
| H190 | C113 | C114 | N37 | 90.0° | 59.9° |
| H190 | C113 | C114 | H191 | 90.0° | 60.1° |
| H190 | C113 | C114 | H192 | 90.0° | 180.0° |
| N37 | C114 | H191 | H192 | 90.0° | 120.0° |
| C114 | N37 | C115 | H193 | 90.0° | 179.9° |
| C114 | N37 | C115 | N38 | 90.0° | 0.1° |
| C114 | N37 | C115 | N39 | 90.0° | 180.0° |
| H191 | C114 | N37 | C115 | 90.0° | 60.0° |
| H191 | C114 | N37 | H193 | 90.0° | 120.0° |
| H192 | C114 | N37 | C115 | 90.0° | 59.9° |
| H192 | C114 | N37 | H193 | 90.0° | 120.0° |
| N37 | C115 | N38 | N39 | 90.0° | 179.9° |
| N37 | C115 | N38 | H194 | 90.0° | 0.0° |
| N37 | C115 | N38 | H195 | 90.0° | 180.0° |
| N37 | C115 | N39 | H196 | 90.0° | 180.0° |
| N37 | C115 | N39 | H197 | 90.0° | 0.0° |
| H193 | N37 | C115 | N38 | 90.0° | 180.0° |
| H193 | N37 | C115 | N39 | 90.0° | 0.1° |
| C115 | N38 | H194 | H195 | 90.0° | 180.0° |
| N38 | C115 | N39 | H196 | 90.0° | 0.0° |
| N38 | C115 | N39 | H197 | 90.0° | 180.0° |
| N39 | C115 | N38 | H194 | 90.0° | 180.0° |
| N39 | C115 | N38 | H195 | 90.0° | 0.0° |
| C115 | N39 | H196 | H197 | 90.0° | 180.0° |






