PRD_001208
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.39Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.45Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.24Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | doub | 1.21Å | 1.23Å | |
| C6 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N3 | C7 | sing | 1.46Å | 1.47Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | O4 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | doub | 1.34Å | 1.36Å | Aromatic |
| C10 | C12 | sing | 1.46Å | 1.43Å | Aromatic |
| C11 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | doub | 1.41Å | 1.41Å | Aromatic |
| C12 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| N4 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C13 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C16 | doub | 1.37Å | 1.38Å | Aromatic |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| N5 | C18 | sing | 1.46Å | 1.45Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | O5 | doub | 1.21Å | 1.23Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| N6 | C27 | sing | 1.46Å | 1.45Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | O6 | doub | 1.21Å | 1.23Å | |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | O7 | doub | 1.21Å | 1.23Å | |
| C30 | N7 | sing | 1.35Å | 1.33Å | |
| N7 | H33 | sing | 0.97Å | 1.00Å | |
| N7 | H34 | sing | 0.97Å | 1.00Å | |
| N8 | C31 | sing | 1.47Å | 1.45Å | |
| N8 | H35 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.54Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | O8 | doub | 1.21Å | 1.24Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | C35 | sing | 1.53Å | 1.51Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | C36 | sing | 1.53Å | 1.50Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H40 | sing | 1.09Å | 1.10Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C36 | H43 | sing | 1.09Å | 1.10Å | |
| C36 | H44 | sing | 1.09Å | 1.10Å | |
| C36 | H45 | sing | 1.09Å | 1.10Å | |
| N9 | C37 | sing | 1.46Å | 1.45Å | |
| N9 | H46 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.51Å | |
| C37 | C39 | sing | 1.53Å | 1.54Å | |
| C37 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | O9 | doub | 1.21Å | 1.24Å | |
| C39 | O10 | sing | 1.43Å | 1.42Å | |
| C39 | C40 | sing | 1.53Å | 1.50Å | |
| C39 | H48 | sing | 1.09Å | 1.10Å | |
| O10 | H49 | sing | 0.97Å | 0.95Å | |
| C40 | H50 | sing | 1.09Å | 1.10Å | |
| C40 | H51 | sing | 1.09Å | 1.10Å | |
| C40 | H52 | sing | 1.09Å | 1.10Å | |
| N10 | C41 | sing | 1.47Å | 1.45Å | |
| N10 | H53 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.51Å | 1.53Å | |
| C41 | C43 | sing | 1.53Å | 1.52Å | |
| C41 | H54 | sing | 1.09Å | 1.10Å | |
| C42 | O11 | doub | 1.21Å | 1.23Å | |
| C43 | C44 | sing | 1.51Å | 1.50Å | |
| C43 | H55 | sing | 1.09Å | 1.10Å | |
| C43 | H56 | sing | 1.09Å | 1.10Å | |
| C44 | O12 | doub | 1.21Å | 1.23Å | |
| C44 | N11 | sing | 1.35Å | 1.33Å | |
| N11 | H57 | sing | 0.97Å | 1.00Å | |
| N11 | H58 | sing | 0.97Å | 1.00Å | |
| N12 | C45 | sing | 1.47Å | 1.46Å | |
| N12 | H59 | sing | 0.97Å | 1.00Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C45 | C48 | sing | 1.53Å | 1.50Å | |
| C45 | C49 | sing | 1.51Å | 1.53Å | |
| C46 | C47 | sing | 1.51Å | 1.54Å | |
| C46 | H60 | sing | 1.09Å | 1.10Å | |
| C46 | H61 | sing | 1.09Å | 1.10Å | |
| C47 | H62 | sing | 1.08Å | 1.08Å | |
| C48 | H63 | sing | 1.09Å | 1.10Å | |
| C48 | H64 | sing | 1.09Å | 1.10Å | |
| C48 | H65 | sing | 1.09Å | 1.10Å | |
| C49 | O13 | doub | 1.21Å | 1.24Å | |
| N13 | C50 | sing | 1.48Å | 1.44Å | |
| N13 | H66 | sing | 0.97Å | 1.00Å | |
| C50 | C51 | sing | 1.51Å | 1.54Å | |
| C50 | C52 | sing | 1.53Å | 1.54Å | |
| C50 | H67 | sing | 1.09Å | 1.10Å | |
| C51 | O14 | doub | 1.21Å | 1.22Å | |
| C52 | C53 | sing | 1.53Å | 1.54Å | |
| C52 | H68 | sing | 1.09Å | 1.10Å | |
| C52 | H69 | sing | 1.09Å | 1.10Å | |
| C53 | C54 | sing | 1.53Å | 1.47Å | |
| C53 | C55 | sing | 1.53Å | 1.51Å | |
| C53 | H70 | sing | 1.09Å | 1.10Å | |
| C54 | H71 | sing | 1.09Å | 1.10Å | |
| C54 | H72 | sing | 1.09Å | 1.10Å | |
| C54 | H73 | sing | 1.09Å | 1.10Å | |
| C55 | H74 | sing | 1.09Å | 1.10Å | |
| C55 | H75 | sing | 1.09Å | 1.10Å | |
| C55 | H76 | sing | 1.09Å | 1.10Å | |
| N14 | C56 | sing | 1.48Å | 1.47Å | |
| N14 | H77 | sing | 0.97Å | 1.00Å | |
| C56 | C57 | sing | 1.51Å | 1.53Å | |
| C56 | C58 | sing | 1.53Å | 1.51Å | |
| C56 | H78 | sing | 1.09Å | 1.10Å | |
| C57 | O15 | doub | 1.21Å | 1.29Å | |
| C58 | C59 | sing | 1.51Å | 1.54Å | |
| C58 | H79 | sing | 1.09Å | 1.10Å | |
| C58 | H80 | sing | 1.09Å | 1.10Å | |
| C59 | C60 | doub | 1.34Å | 1.40Å | Aromatic |
| C59 | C61 | sing | 1.47Å | 1.40Å | Aromatic |
| C60 | N15 | sing | 1.37Å | 1.34Å | Aromatic |
| C60 | H81 | sing | 1.08Å | 1.08Å | |
| C61 | C62 | doub | 1.41Å | 1.39Å | Aromatic |
| C61 | C63 | sing | 1.40Å | 1.40Å | Aromatic |
| N15 | C62 | sing | 1.38Å | 1.36Å | Aromatic |
| N15 | H82 | sing | 0.97Å | 1.00Å | |
| C62 | C64 | sing | 1.39Å | 1.40Å | Aromatic |
| C63 | C65 | doub | 1.37Å | 1.39Å | Aromatic |
| C63 | H83 | sing | 1.08Å | 1.08Å | |
| C64 | C66 | doub | 1.38Å | 1.40Å | Aromatic |
| C64 | H84 | sing | 1.08Å | 1.08Å | |
| C65 | C66 | sing | 1.39Å | 1.39Å | Aromatic |
| C65 | H85 | sing | 1.08Å | 1.08Å | |
| C66 | H86 | sing | 1.08Å | 1.08Å | |
| C67 | C68 | sing | 1.51Å | 1.56Å | |
| N16 | H87 | sing | 0.97Å | 1.00Å | |
| O16 | C67 | doub | 1.21Å | 1.20Å | |
| C68 | N16 | sing | 1.48Å | 1.43Å | |
| C68 | C69 | sing | 1.53Å | 1.51Å | |
| C69 | H88 | sing | 1.09Å | 1.10Å | |
| C69 | H89 | sing | 1.09Å | 1.10Å | |
| C70 | C72 | sing | 1.53Å | 1.54Å | |
| C70 | H90 | sing | 1.09Å | 1.10Å | |
| C70 | H91 | sing | 1.09Å | 1.10Å | |
| C71 | C70 | sing | 1.51Å | 1.53Å | |
| C71 | H92 | sing | 1.08Å | 1.08Å | |
| C72 | C69 | sing | 1.53Å | 1.53Å | |
| C72 | H93 | sing | 1.09Å | 1.10Å | |
| C72 | H94 | sing | 1.09Å | 1.10Å | |
| C73 | C68 | sing | 1.53Å | 1.50Å | |
| C73 | H95 | sing | 1.09Å | 1.10Å | |
| C73 | H96 | sing | 1.09Å | 1.10Å | |
| C73 | H97 | sing | 1.09Å | 1.10Å | |
| N17 | C74 | sing | 1.47Å | 1.49Å | |
| N17 | H98 | sing | 0.97Å | 1.00Å | |
| C74 | C75 | sing | 1.51Å | 1.56Å | |
| C74 | C76 | sing | 1.53Å | 1.57Å | |
| C74 | H99 | sing | 1.09Å | 1.10Å | |
| C75 | O17 | doub | 1.21Å | 1.19Å | |
| C76 | C77 | sing | 1.53Å | 1.44Å | |
| C76 | C78 | sing | 1.53Å | 1.50Å | |
| C76 | H100 | sing | 1.09Å | 1.10Å | |
| C77 | C79 | sing | 1.53Å | 1.46Å | |
| C77 | H101 | sing | 1.09Å | 1.10Å | |
| C77 | H102 | sing | 1.09Å | 1.10Å | |
| C78 | H103 | sing | 1.09Å | 1.10Å | |
| C78 | H104 | sing | 1.09Å | 1.10Å | |
| C78 | H105 | sing | 1.09Å | 1.10Å | |
| C79 | H106 | sing | 1.09Å | 1.10Å | |
| C79 | H107 | sing | 1.09Å | 1.10Å | |
| C79 | H108 | sing | 1.09Å | 1.10Å | |
| N18 | C80 | sing | 1.47Å | 1.45Å | |
| C80 | C82 | sing | 1.53Å | 1.51Å | |
| C80 | C81 | sing | 1.51Å | 1.51Å | |
| C82 | C83 | sing | 1.53Å | 1.55Å | |
| N19 | C83 | sing | 1.46Å | 1.48Å | |
| N19 | C84 | sing | 1.35Å | 1.47Å | |
| C81 | O18 | doub | 1.21Å | 1.21Å | |
| N21 | C87 | sing | 1.47Å | 1.46Å | |
| C88 | C87 | sing | 1.53Å | 1.51Å | |
| C88 | O21 | sing | 1.43Å | 1.39Å | |
| C85 | C84 | sing | 1.51Å | 1.52Å | |
| C85 | N20 | sing | 1.46Å | 1.50Å | |
| C84 | O20 | doub | 1.21Å | 1.22Å | |
| C87 | C86 | sing | 1.51Å | 1.50Å | |
| O21 | P1 | sing | 1.61Å | 1.63Å | |
| N20 | C86 | sing | 1.35Å | 1.46Å | |
| O22 | P1 | doub | 1.48Å | 1.52Å | |
| C86 | O19 | doub | 1.21Å | 1.25Å | |
| P1 | O23 | sing | 1.61Å | 1.54Å | |
| P1 | O24 | sing | 1.61Å | 1.54Å | |
| N18 | H109 | sing | 0.97Å | 1.00Å | |
| C80 | H110 | sing | 1.09Å | 1.10Å | |
| C82 | H111 | sing | 1.09Å | 1.10Å | |
| C82 | H112 | sing | 1.09Å | 1.10Å | |
| C83 | H113 | sing | 1.09Å | 1.10Å | |
| C83 | H114 | sing | 1.09Å | 1.10Å | |
| N19 | H115 | sing | 0.97Å | 1.00Å | |
| C85 | H116 | sing | 1.09Å | 1.10Å | |
| C85 | H117 | sing | 1.09Å | 1.10Å | |
| N20 | H118 | sing | 0.97Å | 1.00Å | |
| C87 | H119 | sing | 1.09Å | 1.10Å | |
| C88 | H120 | sing | 1.09Å | 1.10Å | |
| C88 | H121 | sing | 1.09Å | 1.10Å | |
| N21 | H122 | sing | 1.01Å | 1.00Å | |
| N21 | H123 | sing | 1.01Å | 1.00Å | |
| O23 | H124 | sing | 0.97Å | 0.95Å | |
| O24 | H125 | sing | 0.97Å | 0.95Å | |
| N22 | C89 | sing | 1.47Å | 1.46Å | |
| N22 | H126 | sing | 0.97Å | 1.00Å | |
| C89 | C90 | sing | 1.51Å | 1.54Å | |
| C89 | C91 | sing | 1.53Å | 1.52Å | |
| C89 | H127 | sing | 1.09Å | 1.10Å | |
| C90 | O25 | doub | 1.21Å | 1.26Å | |
| C91 | C92 | sing | 1.53Å | 1.51Å | |
| C91 | H128 | sing | 1.09Å | 1.10Å | |
| C91 | H129 | sing | 1.09Å | 1.10Å | |
| C92 | C93 | sing | 1.53Å | 1.57Å | |
| C92 | H130 | sing | 1.09Å | 1.10Å | |
| C92 | H131 | sing | 1.09Å | 1.10Å | |
| C93 | C94 | sing | 1.53Å | 1.57Å | |
| C93 | H132 | sing | 1.09Å | 1.10Å | |
| C93 | H133 | sing | 1.09Å | 1.10Å | |
| C94 | N23 | sing | 1.47Å | 1.46Å | |
| C94 | H134 | sing | 1.09Å | 1.10Å | |
| C94 | H135 | sing | 1.09Å | 1.10Å | |
| N23 | H136 | sing | 1.01Å | 1.00Å | |
| N23 | H137 | sing | 1.01Å | 1.00Å | |
| N23 | H138 | sing | 1.01Å | 1.00Å | |
| N24 | C95 | sing | 1.46Å | 1.46Å | |
| N24 | H139 | sing | 0.97Å | 1.00Å | |
| C95 | C96 | sing | 1.51Å | 1.54Å | |
| C95 | C97 | sing | 1.53Å | 1.51Å | |
| C95 | H140 | sing | 1.09Å | 1.10Å | |
| C96 | O26 | doub | 1.21Å | 1.24Å | |
| C97 | C98 | sing | 1.53Å | 1.55Å | |
| C97 | H141 | sing | 1.09Å | 1.10Å | |
| C97 | H142 | sing | 1.09Å | 1.10Å | |
| C98 | C99 | sing | 1.53Å | 1.54Å | |
| C98 | H143 | sing | 1.09Å | 1.10Å | |
| C98 | H144 | sing | 1.09Å | 1.10Å | |
| C99 | C100 | sing | 1.53Å | 1.50Å | |
| C99 | H145 | sing | 1.09Å | 1.10Å | |
| C99 | H146 | sing | 1.09Å | 1.10Å | |
| C100 | N25 | sing | 1.47Å | 1.47Å | |
| C100 | H147 | sing | 1.09Å | 1.10Å | |
| C100 | H148 | sing | 1.09Å | 1.10Å | |
| N25 | H149 | sing | 1.01Å | 1.00Å | |
| N25 | H150 | sing | 1.01Å | 1.00Å | |
| N25 | H151 | sing | 1.01Å | 1.00Å | |
| N26 | C101 | sing | 1.47Å | 1.49Å | |
| N26 | H152 | sing | 0.97Å | 1.00Å | |
| C101 | C102 | sing | 1.51Å | 1.55Å | |
| C101 | C103 | sing | 1.53Å | 1.57Å | |
| C101 | H153 | sing | 1.09Å | 1.10Å | |
| C102 | O27 | doub | 1.21Å | 1.25Å | |
| C102 | O28 | sing | 1.34Å | 1.24Å | |
| C103 | C104 | sing | 1.53Å | 1.51Å | |
| C103 | H154 | sing | 1.09Å | 1.10Å | |
| C103 | H155 | sing | 1.09Å | 1.10Å | |
| C104 | C105 | sing | 1.53Å | 1.53Å | |
| C104 | H156 | sing | 1.09Å | 1.10Å | |
| C104 | H157 | sing | 1.09Å | 1.10Å | |
| C105 | C106 | sing | 1.53Å | 1.51Å | |
| C105 | H158 | sing | 1.09Å | 1.10Å | |
| C105 | H159 | sing | 1.09Å | 1.10Å | |
| C106 | N27 | sing | 1.47Å | 1.46Å | |
| C106 | H160 | sing | 1.09Å | 1.10Å | |
| C106 | H161 | sing | 1.09Å | 1.10Å | |
| N27 | H162 | sing | 1.01Å | 1.00Å | |
| N27 | H163 | sing | 1.01Å | 1.00Å | |
| N27 | H164 | sing | 1.01Å | 1.00Å | |
| O28 | H165 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.31Å | |
| C4 | N3 | sing | 1.35Å | 1.33Å | |
| C8 | N5 | sing | 1.35Å | 1.33Å | |
| C19 | N6 | sing | 1.35Å | 1.32Å | |
| C28 | N8 | sing | 1.35Å | 1.33Å | |
| C32 | N9 | sing | 1.35Å | 1.33Å | |
| C38 | N10 | sing | 1.35Å | 1.33Å | |
| C42 | N12 | sing | 1.35Å | 1.34Å | |
| C47 | C71 | doub | 1.31Å | 1.47Å | |
| C49 | N13 | sing | 1.37Å | 1.45Å | |
| C51 | N14 | sing | 1.36Å | 1.47Å | |
| C57 | N16 | sing | 1.37Å | 1.49Å | |
| C67 | N17 | sing | 1.35Å | 1.46Å | |
| C75 | N18 | sing | 1.35Å | 1.43Å | |
| C81 | N22 | sing | 1.35Å | 1.51Å | |
| C90 | N24 | sing | 1.35Å | 1.48Å | |
| C96 | N26 | sing | 1.35Å | 1.53Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 113.3° | 120.0° |
| O1 | C1 | N1 | 123.1° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 114.3° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.4° | 109.5° |
| C3 | N1 | H4 | 119.7° | 120.1° |
| N1 | C3 | C4 | 109.2° | 109.5° |
| N1 | C3 | C5 | 110.1° | 109.5° |
| N1 | C3 | H5 | 109.4° | 109.5° |
| C3 | N1 | C1 | 120.6° | 120.0° |
| H4 | N1 | C1 | 119.7° | 120.0° |
| C4 | C3 | C5 | 111.5° | 109.5° |
| C4 | C3 | H5 | 108.3° | 109.5° |
| C3 | C4 | O2 | 120.3° | 120.0° |
| C3 | C4 | N3 | 116.3° | 120.0° |
| C5 | C3 | H5 | 108.3° | 109.4° |
| C3 | C5 | C6 | 113.0° | 109.5° |
| C3 | C5 | H6 | 108.6° | 109.5° |
| C3 | C5 | H7 | 108.6° | 109.5° |
| O2 | C4 | N3 | 123.3° | 120.1° |
| C6 | C5 | H6 | 108.6° | 109.5° |
| C6 | C5 | H7 | 108.6° | 109.5° |
| C5 | C6 | O3 | 121.2° | 120.0° |
| C5 | C6 | N2 | 116.2° | 120.0° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| O3 | C6 | N2 | 122.6° | 120.0° |
| C6 | N2 | H8 | 120.0° | 120.0° |
| C6 | N2 | H9 | 120.0° | 120.0° |
| H8 | N2 | H9 | 120.0° | 120.0° |
| C7 | N3 | H10 | 118.4° | 120.0° |
| N3 | C7 | C8 | 111.6° | 109.5° |
| N3 | C7 | C9 | 108.5° | 109.5° |
| N3 | C7 | H11 | 109.4° | 109.5° |
| C7 | N3 | C4 | 123.3° | 120.0° |
| H10 | N3 | C4 | 118.3° | 120.0° |
| C8 | C7 | C9 | 110.2° | 109.4° |
| C8 | C7 | H11 | 108.6° | 109.5° |
| C7 | C8 | O4 | 121.5° | 120.0° |
| C7 | C8 | N5 | 115.9° | 120.0° |
| C9 | C7 | H11 | 108.5° | 109.5° |
| C7 | C9 | C10 | 118.2° | 109.5° |
| C7 | C9 | H12 | 107.2° | 109.5° |
| C7 | C9 | H13 | 107.2° | 109.5° |
| O4 | C8 | N5 | 122.6° | 120.0° |
| C10 | C9 | H12 | 107.3° | 109.5° |
| C10 | C9 | H13 | 107.3° | 109.4° |
| C9 | C10 | C11 | 126.9° | 126.5° |
| C9 | C10 | C12 | 127.0° | 126.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| C11 | C10 | C12 | 106.1° | 107.0° |
| C10 | C11 | N4 | 110.5° | 110.0° |
| C10 | C11 | H14 | 124.8° | 125.0° |
| C10 | C12 | C13 | 107.1° | 106.0° |
| C10 | C12 | C14 | 133.9° | 134.0° |
| N4 | C11 | H14 | 124.7° | 125.0° |
| C11 | N4 | C13 | 108.8° | 109.9° |
| C11 | N4 | H15 | 125.6° | 125.1° |
| C13 | C12 | C14 | 119.0° | 119.9° |
| C12 | C13 | N4 | 107.5° | 107.1° |
| C12 | C13 | C15 | 122.5° | 119.3° |
| C12 | C14 | C16 | 118.6° | 119.8° |
| C12 | C14 | H16 | 120.7° | 120.1° |
| C13 | N4 | H15 | 125.6° | 125.1° |
| N4 | C13 | C15 | 130.0° | 133.5° |
| C13 | C15 | C17 | 117.4° | 119.8° |
| C13 | C15 | H17 | 121.3° | 120.1° |
| C16 | C14 | H16 | 120.7° | 120.1° |
| C14 | C16 | C17 | 121.2° | 120.5° |
| C14 | C16 | H18 | 119.4° | 119.8° |
| C17 | C15 | H17 | 121.3° | 120.1° |
| C15 | C17 | C16 | 121.4° | 120.7° |
| C15 | C17 | H19 | 119.3° | 119.7° |
| C17 | C16 | H18 | 119.4° | 119.7° |
| C16 | C17 | H19 | 119.3° | 119.7° |
| C18 | N5 | H20 | 119.5° | 120.0° |
| N5 | C18 | C19 | 112.2° | 109.5° |
| N5 | C18 | C20 | 109.7° | 109.5° |
| N5 | C18 | H21 | 108.3° | 109.4° |
| C18 | N5 | C8 | 121.1° | 120.0° |
| H20 | N5 | C8 | 119.5° | 120.0° |
| C19 | C18 | C20 | 111.6° | 109.5° |
| C19 | C18 | H21 | 107.4° | 109.4° |
| C18 | C19 | O5 | 121.4° | 119.9° |
| C18 | C19 | N6 | 116.3° | 120.1° |
| C20 | C18 | H21 | 107.4° | 109.5° |
| C18 | C20 | C21 | 113.9° | 109.5° |
| C18 | C20 | H22 | 108.4° | 109.5° |
| C18 | C20 | H23 | 108.4° | 109.5° |
| O5 | C19 | N6 | 122.2° | 120.0° |
| C21 | C20 | H22 | 108.4° | 109.5° |
| C21 | C20 | H23 | 108.3° | 109.4° |
| C20 | C21 | C22 | 120.9° | 120.0° |
| C20 | C21 | C23 | 120.6° | 120.0° |
| H22 | C20 | H23 | 109.5° | 109.5° |
| C22 | C21 | C23 | 118.5° | 120.0° |
| C21 | C22 | C24 | 121.0° | 120.0° |
| C21 | C22 | H24 | 119.5° | 120.0° |
| C21 | C23 | C25 | 120.8° | 120.0° |
| C21 | C23 | H25 | 119.6° | 120.0° |
| C24 | C22 | H24 | 119.5° | 120.0° |
| C22 | C24 | C26 | 119.9° | 120.0° |
| C22 | C24 | H26 | 120.0° | 120.0° |
| C25 | C23 | H25 | 119.6° | 120.0° |
| C23 | C25 | C26 | 120.2° | 120.0° |
| C23 | C25 | H27 | 119.9° | 120.0° |
| C26 | C24 | H26 | 120.1° | 120.0° |
| C24 | C26 | C25 | 119.5° | 120.0° |
| C24 | C26 | H28 | 120.3° | 120.0° |
| C26 | C25 | H27 | 119.9° | 120.0° |
| C25 | C26 | H28 | 120.2° | 120.0° |
| C27 | N6 | H29 | 119.8° | 120.0° |
| N6 | C27 | C28 | 113.1° | 109.5° |
| N6 | C27 | C29 | 110.4° | 109.5° |
| N6 | C27 | H30 | 108.1° | 109.5° |
| C27 | N6 | C19 | 120.3° | 120.1° |
| H29 | N6 | C19 | 119.9° | 120.0° |
| C28 | C27 | C29 | 110.7° | 109.5° |
| C28 | C27 | H30 | 107.2° | 109.4° |
| C27 | C28 | O6 | 120.7° | 120.0° |
| C27 | C28 | N8 | 116.1° | 120.0° |
| C29 | C27 | H30 | 107.1° | 109.5° |
| C27 | C29 | C30 | 112.3° | 109.5° |
| C27 | C29 | H31 | 108.8° | 109.5° |
| C27 | C29 | H32 | 108.7° | 109.5° |
| O6 | C28 | N8 | 123.2° | 120.0° |
| C30 | C29 | H31 | 108.7° | 109.5° |
| C30 | C29 | H32 | 108.8° | 109.4° |
| C29 | C30 | O7 | 120.3° | 120.0° |
| C29 | C30 | N7 | 117.0° | 120.0° |
| H31 | C29 | H32 | 109.5° | 109.5° |
| O7 | C30 | N7 | 122.7° | 120.0° |
| C30 | N7 | H33 | 120.0° | 119.9° |
| C30 | N7 | H34 | 120.0° | 120.0° |
| H33 | N7 | H34 | 120.0° | 120.1° |
| C31 | N8 | H35 | 119.0° | 120.0° |
| N8 | C31 | C32 | 113.5° | 109.4° |
| N8 | C31 | C33 | 110.5° | 109.4° |
| N8 | C31 | H36 | 107.9° | 109.5° |
| C31 | N8 | C28 | 122.1° | 120.0° |
| H35 | N8 | C28 | 118.9° | 120.0° |
| C32 | C31 | C33 | 110.7° | 109.5° |
| C32 | C31 | H36 | 106.9° | 109.5° |
| C31 | C32 | O8 | 120.4° | 120.0° |
| C31 | C32 | N9 | 117.1° | 119.9° |
| C33 | C31 | H36 | 107.0° | 109.5° |
| C31 | C33 | C34 | 110.1° | 109.5° |
| C31 | C33 | C35 | 111.2° | 109.5° |
| C31 | C33 | H37 | 108.6° | 109.5° |
| O8 | C32 | N9 | 122.4° | 120.0° |
| C34 | C33 | C35 | 109.6° | 109.5° |
| C34 | C33 | H37 | 108.6° | 109.5° |
| C33 | C34 | C36 | 112.7° | 109.5° |
| C33 | C34 | H38 | 108.6° | 109.5° |
| C33 | C34 | H39 | 108.7° | 109.5° |
| C35 | C33 | H37 | 108.8° | 109.4° |
| C33 | C35 | H40 | 109.5° | 109.5° |
| C33 | C35 | H41 | 109.5° | 109.5° |
| C33 | C35 | H42 | 109.4° | 109.4° |
| C36 | C34 | H38 | 108.7° | 109.5° |
| C36 | C34 | H39 | 108.6° | 109.5° |
| C34 | C36 | H43 | 109.5° | 109.5° |
| C34 | C36 | H44 | 109.5° | 109.5° |
| C34 | C36 | H45 | 109.5° | 109.5° |
| H38 | C34 | H39 | 109.5° | 109.4° |
| H40 | C35 | H41 | 109.5° | 109.5° |
| H40 | C35 | H42 | 109.5° | 109.5° |
| H41 | C35 | H42 | 109.5° | 109.5° |
| H43 | C36 | H44 | 109.4° | 109.4° |
| H43 | C36 | H45 | 109.5° | 109.4° |
| H44 | C36 | H45 | 109.5° | 109.5° |
| C37 | N9 | H46 | 120.1° | 120.1° |
| N9 | C37 | C38 | 110.6° | 109.5° |
| N9 | C37 | C39 | 112.5° | 109.5° |
| N9 | C37 | H47 | 108.0° | 109.5° |
| C37 | N9 | C32 | 119.9° | 119.9° |
| H46 | N9 | C32 | 120.1° | 120.0° |
| C38 | C37 | C39 | 111.2° | 109.5° |
| C38 | C37 | H47 | 107.3° | 109.5° |
| C37 | C38 | O9 | 121.0° | 120.0° |
| C37 | C38 | N10 | 115.7° | 120.0° |
| C39 | C37 | H47 | 107.0° | 109.5° |
| C37 | C39 | O10 | 109.2° | 109.5° |
| C37 | C39 | C40 | 109.5° | 109.5° |
| C37 | C39 | H48 | 109.0° | 109.5° |
| O9 | C38 | N10 | 123.3° | 120.0° |
| O10 | C39 | C40 | 108.8° | 109.5° |
| O10 | C39 | H48 | 110.7° | 109.5° |
| C39 | O10 | H49 | 109.5° | 113.9° |
| C40 | C39 | H48 | 109.6° | 109.5° |
| C39 | C40 | H50 | 109.5° | 109.5° |
| C39 | C40 | H51 | 109.5° | 109.5° |
| C39 | C40 | H52 | 109.5° | 109.5° |
| H50 | C40 | H51 | 109.5° | 109.5° |
| H50 | C40 | H52 | 109.4° | 109.5° |
| H51 | C40 | H52 | 109.4° | 109.4° |
| C41 | N10 | H53 | 119.6° | 120.0° |
| N10 | C41 | C42 | 111.1° | 109.5° |
| N10 | C41 | C43 | 110.7° | 109.5° |
| N10 | C41 | H54 | 108.6° | 109.5° |
| C41 | N10 | C38 | 120.7° | 120.0° |
| H53 | N10 | C38 | 119.6° | 120.0° |
| C42 | C41 | C43 | 110.9° | 109.5° |
| C42 | C41 | H54 | 107.7° | 109.4° |
| C41 | C42 | O11 | 120.2° | 120.0° |
| C41 | C42 | N12 | 116.8° | 120.0° |
| C43 | C41 | H54 | 107.7° | 109.5° |
| C41 | C43 | C44 | 111.9° | 109.4° |
| C41 | C43 | H55 | 108.9° | 109.5° |
| C41 | C43 | H56 | 108.9° | 109.5° |
| O11 | C42 | N12 | 123.1° | 120.0° |
| C44 | C43 | H55 | 108.9° | 109.5° |
| C44 | C43 | H56 | 108.9° | 109.5° |
| C43 | C44 | O12 | 120.6° | 120.1° |
| C43 | C44 | N11 | 116.6° | 120.0° |
| H55 | C43 | H56 | 109.4° | 109.5° |
| O12 | C44 | N11 | 122.8° | 120.0° |
| C44 | N11 | H57 | 120.0° | 120.0° |
| C44 | N11 | H58 | 120.0° | 120.0° |
| H57 | N11 | H58 | 120.0° | 120.0° |
| C45 | N12 | H59 | 118.8° | 120.0° |
| N12 | C45 | C46 | 108.3° | 109.5° |
| N12 | C45 | C48 | 106.3° | 109.5° |
| N12 | C45 | C49 | 107.2° | 109.4° |
| C45 | N12 | C42 | 122.5° | 119.9° |
| H59 | N12 | C42 | 118.7° | 120.0° |
| C46 | C45 | C48 | 108.7° | 109.5° |
| C46 | C45 | C49 | 111.9° | 109.5° |
| C45 | C46 | C47 | 121.0° | 109.5° |
| C45 | C46 | H60 | 106.5° | 109.4° |
| C45 | C46 | H61 | 106.5° | 109.4° |
| C48 | C45 | C49 | 114.1° | 109.4° |
| C45 | C48 | H63 | 109.5° | 109.5° |
| C45 | C48 | H64 | 109.5° | 109.5° |
| C45 | C48 | H65 | 109.5° | 109.4° |
| C45 | C49 | O13 | 123.7° | 120.7° |
| C45 | C49 | N13 | 117.0° | 118.5° |
| C47 | C46 | H60 | 106.5° | 109.5° |
| C47 | C46 | H61 | 106.5° | 109.5° |
| C46 | C47 | H62 | 123.8° | 120.0° |
| C46 | C47 | C71 | 112.3° | 120.0° |
| H60 | C46 | H61 | 109.5° | 109.5° |
| H62 | C47 | C71 | 123.8° | 120.0° |
| H63 | C48 | H64 | 109.5° | 109.5° |
| H63 | C48 | H65 | 109.4° | 109.4° |
| H64 | C48 | H65 | 109.5° | 109.5° |
| O13 | C49 | N13 | 119.4° | 120.8° |
| C50 | N13 | H66 | 118.9° | 122.8° |
| N13 | C50 | C51 | 112.6° | 108.5° |
| N13 | C50 | C52 | 110.3° | 109.7° |
| N13 | C50 | H67 | 109.2° | 109.6° |
| C50 | N13 | C49 | 122.2° | 114.5° |
| H66 | N13 | C49 | 118.9° | 122.8° |
| C51 | C50 | C52 | 108.8° | 109.7° |
| C51 | C50 | H67 | 107.9° | 109.6° |
| C50 | C51 | O14 | 120.6° | 120.5° |
| C50 | C51 | N14 | 119.6° | 118.9° |
| C52 | C50 | H67 | 107.9° | 109.8° |
| C50 | C52 | C53 | 114.1° | 109.5° |
| C50 | C52 | H68 | 108.3° | 109.5° |
| C50 | C52 | H69 | 108.3° | 109.5° |
| O14 | C51 | N14 | 119.9° | 120.6° |
| C53 | C52 | H68 | 108.3° | 109.5° |
| C53 | C52 | H69 | 108.3° | 109.5° |
| C52 | C53 | C54 | 111.8° | 109.4° |
| C52 | C53 | C55 | 112.0° | 109.5° |
| C52 | C53 | H70 | 106.3° | 109.5° |
| H68 | C52 | H69 | 109.5° | 109.4° |
| C54 | C53 | C55 | 112.7° | 109.5° |
| C54 | C53 | H70 | 107.0° | 109.5° |
| C53 | C54 | H71 | 109.5° | 109.5° |
| C53 | C54 | H72 | 109.5° | 109.5° |
| C53 | C54 | H73 | 109.5° | 109.5° |
| C55 | C53 | H70 | 106.5° | 109.5° |
| C53 | C55 | H74 | 109.5° | 109.5° |
| C53 | C55 | H75 | 109.5° | 109.5° |
| C53 | C55 | H76 | 109.4° | 109.4° |
| H71 | C54 | H72 | 109.5° | 109.4° |
| H71 | C54 | H73 | 109.5° | 109.4° |
| H72 | C54 | H73 | 109.5° | 109.5° |
| H74 | C55 | H75 | 109.5° | 109.5° |
| H74 | C55 | H76 | 109.5° | 109.4° |
| H75 | C55 | H76 | 109.5° | 109.4° |
| C56 | N14 | H77 | 121.1° | 121.9° |
| N14 | C56 | C57 | 112.7° | 108.7° |
| N14 | C56 | C58 | 108.7° | 109.6° |
| N14 | C56 | H78 | 108.8° | 109.6° |
| C56 | N14 | C51 | 117.7° | 116.1° |
| H77 | N14 | C51 | 121.1° | 122.0° |
| C57 | C56 | C58 | 110.2° | 109.6° |
| C57 | C56 | H78 | 108.0° | 109.6° |
| C56 | C57 | O15 | 119.7° | 120.8° |
| C56 | C57 | N16 | 116.7° | 118.5° |
| C58 | C56 | H78 | 108.3° | 109.7° |
| C56 | C58 | C59 | 119.1° | 109.5° |
| C56 | C58 | H79 | 107.0° | 109.5° |
| C56 | C58 | H80 | 107.0° | 109.5° |
| O15 | C57 | N16 | 123.7° | 120.7° |
| C59 | C58 | H79 | 107.0° | 109.5° |
| C59 | C58 | H80 | 107.0° | 109.5° |
| C58 | C59 | C60 | 128.9° | 126.5° |
| C58 | C59 | C61 | 123.9° | 126.5° |
| H79 | C58 | H80 | 109.5° | 109.5° |
| C60 | C59 | C61 | 107.2° | 107.0° |
| C59 | C60 | N15 | 108.3° | 109.9° |
| C59 | C60 | H81 | 125.8° | 125.0° |
| C59 | C61 | C62 | 106.4° | 106.0° |
| C59 | C61 | C63 | 132.5° | 134.0° |
| N15 | C60 | H81 | 125.8° | 125.0° |
| C60 | N15 | C62 | 109.2° | 109.9° |
| C60 | N15 | H82 | 125.3° | 125.1° |
| C62 | C61 | C63 | 121.1° | 119.9° |
| C61 | C62 | N15 | 108.9° | 107.1° |
| C61 | C62 | C64 | 118.6° | 119.3° |
| C61 | C63 | C65 | 120.3° | 119.8° |
| C61 | C63 | H83 | 119.8° | 120.1° |
| C62 | N15 | H82 | 125.4° | 125.0° |
| N15 | C62 | C64 | 132.6° | 133.5° |
| C62 | C64 | C66 | 120.4° | 119.8° |
| C62 | C64 | H84 | 119.8° | 120.1° |
| C65 | C63 | H83 | 119.9° | 120.1° |
| C63 | C65 | C66 | 118.8° | 120.5° |
| C63 | C65 | H85 | 120.6° | 119.7° |
| C66 | C64 | H84 | 119.8° | 120.1° |
| C64 | C66 | C65 | 120.8° | 120.6° |
| C64 | C66 | H86 | 119.6° | 119.7° |
| C66 | C65 | H85 | 120.6° | 119.7° |
| C65 | C66 | H86 | 119.6° | 119.7° |
| C68 | C67 | O16 | 118.3° | 120.0° |
| C67 | C68 | N16 | 102.9° | 109.7° |
| C67 | C68 | C69 | 115.1° | 109.6° |
| C67 | C68 | C73 | 106.2° | 109.6° |
| C68 | C67 | N17 | 123.3° | 120.0° |
| H87 | N16 | C68 | 116.5° | 122.8° |
| H87 | N16 | C57 | 116.5° | 122.8° |
| O16 | C67 | N17 | 118.3° | 120.0° |
| N16 | C68 | C69 | 106.9° | 108.4° |
| N16 | C68 | C73 | 115.2° | 109.6° |
| C68 | N16 | C57 | 126.9° | 114.4° |
| C68 | C69 | H88 | 106.6° | 109.5° |
| C68 | C69 | H89 | 106.5° | 109.4° |
| C68 | C69 | C72 | 120.9° | 109.5° |
| C69 | C68 | C73 | 110.6° | 109.8° |
| H88 | C69 | H89 | 109.5° | 109.4° |
| H88 | C69 | C72 | 106.6° | 109.5° |
| H89 | C69 | C72 | 106.6° | 109.5° |
| C72 | C70 | H90 | 108.5° | 109.4° |
| C72 | C70 | H91 | 108.5° | 109.5° |
| C72 | C70 | C71 | 113.5° | 109.5° |
| C70 | C72 | C69 | 111.5° | 109.5° |
| C70 | C72 | H93 | 109.0° | 109.4° |
| C70 | C72 | H94 | 109.0° | 109.4° |
| H90 | C70 | H91 | 109.4° | 109.4° |
| H90 | C70 | C71 | 108.5° | 109.5° |
| H91 | C70 | C71 | 108.5° | 109.5° |
| C70 | C71 | H92 | 120.9° | 120.0° |
| C70 | C71 | C47 | 118.1° | 120.0° |
| H92 | C71 | C47 | 121.0° | 120.0° |
| C69 | C72 | H93 | 109.0° | 109.5° |
| C69 | C72 | H94 | 109.0° | 109.5° |
| H93 | C72 | H94 | 109.5° | 109.5° |
| C68 | C73 | H95 | 109.5° | 109.5° |
| C68 | C73 | H96 | 109.5° | 109.5° |
| C68 | C73 | H97 | 109.5° | 109.5° |
| H95 | C73 | H96 | 109.4° | 109.4° |
| H95 | C73 | H97 | 109.5° | 109.5° |
| H96 | C73 | H97 | 109.5° | 109.4° |
| C74 | N17 | H98 | 121.5° | 120.0° |
| N17 | C74 | C75 | 113.6° | 109.5° |
| N17 | C74 | C76 | 106.3° | 109.4° |
| N17 | C74 | H99 | 108.3° | 109.4° |
| C74 | N17 | C67 | 117.0° | 120.0° |
| H98 | N17 | C67 | 121.5° | 120.0° |
| C75 | C74 | C76 | 113.7° | 109.5° |
| C75 | C74 | H99 | 107.4° | 109.5° |
| C74 | C75 | O17 | 119.7° | 120.0° |
| C74 | C75 | N18 | 119.4° | 120.0° |
| C76 | C74 | H99 | 107.3° | 109.5° |
| C74 | C76 | C77 | 113.7° | 109.5° |
| C74 | C76 | C78 | 109.6° | 109.5° |
| C74 | C76 | H100 | 107.0° | 109.4° |
| O17 | C75 | N18 | 120.9° | 120.0° |
| C77 | C76 | C78 | 109.8° | 109.5° |
| C77 | C76 | H100 | 108.6° | 109.5° |
| C76 | C77 | C79 | 114.9° | 109.4° |
| C76 | C77 | H101 | 108.1° | 109.5° |
| C76 | C77 | H102 | 108.1° | 109.5° |
| C78 | C76 | H100 | 107.9° | 109.5° |
| C76 | C78 | H103 | 109.5° | 109.5° |
| C76 | C78 | H104 | 109.5° | 109.5° |
| C76 | C78 | H105 | 109.4° | 109.5° |
| C79 | C77 | H101 | 108.1° | 109.5° |
| C79 | C77 | H102 | 108.1° | 109.4° |
| C77 | C79 | H106 | 109.5° | 109.5° |
| C77 | C79 | H107 | 109.5° | 109.5° |
| C77 | C79 | H108 | 109.5° | 109.5° |
| H101 | C77 | H102 | 109.5° | 109.5° |
| H103 | C78 | H104 | 109.4° | 109.5° |
| H103 | C78 | H105 | 109.5° | 109.4° |
| H104 | C78 | H105 | 109.5° | 109.5° |
| H106 | C79 | H107 | 109.5° | 109.4° |
| H106 | C79 | H108 | 109.5° | 109.5° |
| H107 | C79 | H108 | 109.5° | 109.5° |
| N18 | C80 | C82 | 102.5° | 109.5° |
| N18 | C80 | C81 | 107.7° | 109.5° |
| C80 | N18 | H109 | 119.3° | 120.0° |
| N18 | C80 | H110 | 109.2° | 109.4° |
| C80 | N18 | C75 | 121.4° | 120.0° |
| C82 | C80 | C81 | 120.2° | 109.5° |
| C80 | C82 | C83 | 120.9° | 109.5° |
| C82 | C80 | H110 | 108.4° | 109.5° |
| C80 | C82 | H111 | 106.6° | 109.5° |
| C80 | C82 | H112 | 106.6° | 109.5° |
| C80 | C81 | O18 | 118.7° | 120.0° |
| C81 | C80 | H110 | 108.4° | 109.5° |
| C80 | C81 | N22 | 124.7° | 120.0° |
| C82 | C83 | N19 | 124.1° | 109.5° |
| C83 | C82 | H111 | 106.5° | 109.4° |
| C83 | C82 | H112 | 106.5° | 109.4° |
| C82 | C83 | H113 | 105.7° | 109.5° |
| C82 | C83 | H114 | 105.7° | 109.5° |
| C83 | N19 | C84 | 117.6° | 120.0° |
| N19 | C83 | H113 | 105.7° | 109.4° |
| N19 | C83 | H114 | 105.7° | 109.5° |
| C83 | N19 | H115 | 121.2° | 120.0° |
| N19 | C84 | C85 | 123.9° | 120.0° |
| N19 | C84 | O20 | 118.4° | 120.0° |
| C84 | N19 | H115 | 121.2° | 120.0° |
| O18 | C81 | N22 | 116.6° | 120.0° |
| N21 | C87 | C88 | 108.8° | 109.5° |
| N21 | C87 | C86 | 114.5° | 109.4° |
| N21 | C87 | H119 | 107.5° | 109.5° |
| C87 | N21 | H122 | 109.5° | 111.0° |
| C87 | N21 | H123 | 109.5° | 111.0° |
| C87 | C88 | O21 | 118.7° | 109.5° |
| C88 | C87 | C86 | 111.9° | 109.5° |
| C88 | C87 | H119 | 106.9° | 109.5° |
| C87 | C88 | H120 | 107.1° | 109.5° |
| C87 | C88 | H121 | 107.1° | 109.5° |
| C88 | O21 | P1 | 123.1° | 123.1° |
| O21 | C88 | H120 | 107.1° | 109.4° |
| O21 | C88 | H121 | 107.1° | 109.5° |
| C84 | C85 | N20 | 112.6° | 109.5° |
| C85 | C84 | O20 | 117.7° | 120.0° |
| C84 | C85 | H116 | 108.7° | 109.5° |
| C84 | C85 | H117 | 108.7° | 109.5° |
| C85 | N20 | C86 | 129.3° | 120.0° |
| N20 | C85 | H116 | 108.7° | 109.4° |
| N20 | C85 | H117 | 108.7° | 109.5° |
| C85 | N20 | H118 | 115.3° | 120.0° |
| C87 | C86 | N20 | 126.3° | 120.0° |
| C87 | C86 | O19 | 116.9° | 120.0° |
| C86 | C87 | H119 | 106.9° | 109.4° |
| O21 | P1 | O22 | 108.8° | 109.5° |
| O21 | P1 | O23 | 111.4° | 109.5° |
| O21 | P1 | O24 | 110.0° | 109.5° |
| N20 | C86 | O19 | 116.8° | 120.0° |
| C86 | N20 | H118 | 115.3° | 120.0° |
| O22 | P1 | O23 | 108.5° | 109.5° |
| O22 | P1 | O24 | 109.0° | 109.5° |
| O23 | P1 | O24 | 109.1° | 109.4° |
| P1 | O23 | H124 | 109.5° | 114.1° |
| P1 | O24 | H125 | 109.5° | 114.0° |
| H109 | N18 | C75 | 119.3° | 120.0° |
| H111 | C82 | H112 | 109.5° | 109.5° |
| H113 | C83 | H114 | 109.5° | 109.5° |
| H116 | C85 | H117 | 109.5° | 109.4° |
| H120 | C88 | H121 | 109.5° | 109.5° |
| H122 | N21 | H123 | 109.4° | 111.0° |
| C89 | N22 | H126 | 119.7° | 119.9° |
| N22 | C89 | C90 | 111.1° | 109.5° |
| N22 | C89 | C91 | 114.4° | 109.4° |
| N22 | C89 | H127 | 108.8° | 109.4° |
| C89 | N22 | C81 | 120.6° | 120.0° |
| H126 | N22 | C81 | 119.7° | 120.0° |
| C90 | C89 | C91 | 106.6° | 109.5° |
| C90 | C89 | H127 | 107.8° | 109.5° |
| C89 | C90 | O25 | 120.1° | 120.0° |
| C89 | C90 | N24 | 123.9° | 120.0° |
| C91 | C89 | H127 | 107.9° | 109.4° |
| C89 | C91 | C92 | 120.5° | 109.5° |
| C89 | C91 | H128 | 106.6° | 109.5° |
| C89 | C91 | H129 | 106.6° | 109.4° |
| O25 | C90 | N24 | 116.0° | 120.0° |
| C92 | C91 | H128 | 106.7° | 109.5° |
| C92 | C91 | H129 | 106.6° | 109.5° |
| C91 | C92 | C93 | 121.4° | 109.5° |
| C91 | C92 | H130 | 106.4° | 109.5° |
| C91 | C92 | H131 | 106.5° | 109.5° |
| H128 | C91 | H129 | 109.5° | 109.5° |
| C93 | C92 | H130 | 106.4° | 109.5° |
| C93 | C92 | H131 | 106.4° | 109.5° |
| C92 | C93 | C94 | 116.9° | 109.5° |
| C92 | C93 | H132 | 107.6° | 109.5° |
| C92 | C93 | H133 | 107.6° | 109.5° |
| H130 | C92 | H131 | 109.5° | 109.4° |
| C94 | C93 | H132 | 107.6° | 109.5° |
| C94 | C93 | H133 | 107.6° | 109.4° |
| C93 | C94 | N23 | 119.1° | 109.5° |
| C93 | C94 | H134 | 107.0° | 109.5° |
| C93 | C94 | H135 | 107.0° | 109.5° |
| H132 | C93 | H133 | 109.4° | 109.4° |
| N23 | C94 | H134 | 107.0° | 109.5° |
| N23 | C94 | H135 | 107.0° | 109.5° |
| C94 | N23 | H136 | 109.5° | 109.4° |
| C94 | N23 | H137 | 109.5° | 109.4° |
| C94 | N23 | H138 | 109.5° | 109.4° |
| H134 | C94 | H135 | 109.4° | 109.4° |
| H136 | N23 | H137 | 109.5° | 109.5° |
| H136 | N23 | H138 | 109.4° | 109.6° |
| H137 | N23 | H138 | 109.5° | 109.5° |
| C95 | N24 | H139 | 118.6° | 120.0° |
| N24 | C95 | C96 | 104.6° | 109.4° |
| N24 | C95 | C97 | 116.8° | 109.5° |
| N24 | C95 | H140 | 109.3° | 109.5° |
| C95 | N24 | C90 | 122.9° | 120.0° |
| H139 | N24 | C90 | 118.5° | 120.0° |
| C96 | C95 | C97 | 109.1° | 109.5° |
| C96 | C95 | H140 | 108.1° | 109.4° |
| C95 | C96 | O26 | 119.4° | 120.0° |
| C95 | C96 | N26 | 117.5° | 120.0° |
| C97 | C95 | H140 | 108.6° | 109.5° |
| C95 | C97 | C98 | 120.0° | 109.5° |
| C95 | C97 | H141 | 106.8° | 109.5° |
| C95 | C97 | H142 | 106.8° | 109.5° |
| O26 | C96 | N26 | 123.1° | 120.0° |
| C98 | C97 | H141 | 106.8° | 109.5° |
| C98 | C97 | H142 | 106.8° | 109.5° |
| C97 | C98 | C99 | 117.3° | 109.5° |
| C97 | C98 | H143 | 107.4° | 109.4° |
| C97 | C98 | H144 | 107.5° | 109.4° |
| H141 | C97 | H142 | 109.5° | 109.4° |
| C99 | C98 | H143 | 107.5° | 109.5° |
| C99 | C98 | H144 | 107.5° | 109.5° |
| C98 | C99 | C100 | 118.3° | 109.5° |
| C98 | C99 | H145 | 107.2° | 109.5° |
| C98 | C99 | H146 | 107.2° | 109.5° |
| H143 | C98 | H144 | 109.5° | 109.5° |
| C100 | C99 | H145 | 107.2° | 109.5° |
| C100 | C99 | H146 | 107.2° | 109.5° |
| C99 | C100 | N25 | 116.8° | 109.5° |
| C99 | C100 | H147 | 107.6° | 109.4° |
| C99 | C100 | H148 | 107.6° | 109.4° |
| H145 | C99 | H146 | 109.5° | 109.4° |
| N25 | C100 | H147 | 107.6° | 109.5° |
| N25 | C100 | H148 | 107.6° | 109.5° |
| C100 | N25 | H149 | 109.5° | 109.5° |
| C100 | N25 | H150 | 109.5° | 109.5° |
| C100 | N25 | H151 | 109.4° | 109.4° |
| H147 | C100 | H148 | 109.5° | 109.5° |
| H149 | N25 | H150 | 109.5° | 109.5° |
| H149 | N25 | H151 | 109.5° | 109.5° |
| H150 | N25 | H151 | 109.4° | 109.5° |
| C101 | N26 | H152 | 117.3° | 120.0° |
| N26 | C101 | C102 | 111.8° | 109.5° |
| N26 | C101 | C103 | 114.5° | 109.5° |
| N26 | C101 | H153 | 106.4° | 109.5° |
| C101 | N26 | C96 | 125.5° | 120.0° |
| H152 | N26 | C96 | 117.2° | 120.0° |
| C102 | C101 | C103 | 112.1° | 109.5° |
| C102 | C101 | H153 | 105.7° | 109.4° |
| C101 | C102 | O27 | 120.7° | 120.0° |
| C101 | C102 | O28 | 121.4° | 120.0° |
| C103 | C101 | H153 | 105.5° | 109.5° |
| C101 | C103 | C104 | 120.2° | 109.5° |
| C101 | C103 | H154 | 106.7° | 109.4° |
| C101 | C103 | H155 | 106.7° | 109.5° |
| O27 | C102 | O28 | 117.8° | 120.0° |
| C102 | O28 | H165 | 109.5° | 116.9° |
| C104 | C103 | H154 | 106.7° | 109.5° |
| C104 | C103 | H155 | 106.7° | 109.5° |
| C103 | C104 | C105 | 118.0° | 109.5° |
| C103 | C104 | H156 | 107.3° | 109.4° |
| C103 | C104 | H157 | 107.3° | 109.5° |
| H154 | C103 | H155 | 109.4° | 109.5° |
| C105 | C104 | H156 | 107.3° | 109.5° |
| C105 | C104 | H157 | 107.3° | 109.5° |
| C104 | C105 | C106 | 118.8° | 109.5° |
| C104 | C105 | H158 | 107.1° | 109.5° |
| C104 | C105 | H159 | 107.1° | 109.5° |
| H156 | C104 | H157 | 109.5° | 109.5° |
| C106 | C105 | H158 | 107.1° | 109.4° |
| C106 | C105 | H159 | 107.1° | 109.5° |
| C105 | C106 | N27 | 118.9° | 109.5° |
| C105 | C106 | H160 | 107.0° | 109.5° |
| C105 | C106 | H161 | 107.1° | 109.5° |
| H158 | C105 | H159 | 109.4° | 109.4° |
| N27 | C106 | H160 | 107.1° | 109.5° |
| N27 | C106 | H161 | 107.0° | 109.4° |
| C106 | N27 | H162 | 109.5° | 109.5° |
| C106 | N27 | H163 | 109.4° | 109.4° |
| C106 | N27 | H164 | 109.5° | 109.5° |
| H160 | C106 | H161 | 109.5° | 109.5° |
| H162 | N27 | H163 | 109.5° | 109.5° |
| H162 | N27 | H164 | 109.4° | 109.5° |
| H163 | N27 | H164 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 147.8° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 119.9° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 29.4° | 0.0° |
| O1 | C1 | N1 | H4 | 150.6° | 179.9° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 173.6° | 179.7° |
| C2 | C1 | N1 | H4 | 6.4° | 0.2° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 147.8° | 179.7° |
| H2 | C2 | C1 | N1 | 27.8° | 59.8° |
| H3 | C2 | C1 | N1 | 92.2° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 121.9° | 120.0° |
| N1 | C3 | C4 | H5 | 119.1° | 120.0° |
| N1 | C3 | C5 | H5 | 119.6° | 120.0° |
| N1 | C3 | C4 | O2 | 62.4° | 20.0° |
| N1 | C3 | C5 | C6 | 176.7° | 65.0° |
| N1 | C3 | C5 | H6 | 56.2° | 55.1° |
| N1 | C3 | C5 | H7 | 62.8° | 175.0° |
| N1 | C3 | C4 | N3 | 117.0° | 160.0° |
| H4 | N1 | C3 | C4 | 80.1° | 120.0° |
| H4 | N1 | C3 | C5 | 42.6° | 119.9° |
| H4 | N1 | C3 | H5 | 161.5° | 0.0° |
| C4 | C3 | C5 | H5 | 119.0° | 120.0° |
| C3 | C4 | O2 | N3 | 179.4° | 180.0° |
| C4 | C3 | C5 | C6 | 61.9° | 175.0° |
| C4 | C3 | C5 | H6 | 177.5° | 65.0° |
| C4 | C3 | C5 | H7 | 58.6° | 54.9° |
| C3 | C4 | N3 | C7 | 179.8° | 180.0° |
| C3 | C4 | N3 | H10 | 0.3° | 0.0° |
| C4 | C3 | N1 | C1 | 99.9° | 60.0° |
| C5 | C3 | C4 | O2 | 59.5° | 100.0° |
| C3 | C5 | C6 | H6 | 120.5° | 120.0° |
| C3 | C5 | C6 | H7 | 120.5° | 120.1° |
| C3 | C5 | H6 | H7 | 118.4° | 120.0° |
| C3 | C5 | C6 | O3 | 5.5° | 0.0° |
| C3 | C5 | C6 | N2 | 173.9° | 180.0° |
| C5 | C3 | N1 | C1 | 137.4° | 60.0° |
| C5 | C3 | C4 | N3 | 121.1° | 80.0° |
| H5 | C3 | C4 | O2 | 178.5° | 140.0° |
| H5 | C3 | C5 | C6 | 57.1° | 55.0° |
| H5 | C3 | C5 | H6 | 63.4° | 175.0° |
| H5 | C3 | C5 | H7 | 177.6° | 65.1° |
| H5 | C3 | N1 | C1 | 18.5° | 180.0° |
| H5 | C3 | C4 | N3 | 2.1° | 40.0° |
| O2 | C4 | N3 | C7 | 0.8° | 0.0° |
| O2 | C4 | N3 | H10 | 179.1° | 180.0° |
| C6 | C5 | H6 | H7 | 118.4° | 120.0° |
| C5 | C6 | O3 | N2 | 179.3° | 180.0° |
| C5 | C6 | N2 | H8 | 179.3° | 0.1° |
| C5 | C6 | N2 | H9 | 0.7° | 180.0° |
| H6 | C5 | C6 | O3 | 115.0° | 120.0° |
| H6 | C5 | C6 | N2 | 65.6° | 60.0° |
| H7 | C5 | C6 | O3 | 126.0° | 120.0° |
| H7 | C5 | C6 | N2 | 53.3° | 59.9° |
| O3 | C6 | N2 | H8 | 0.0° | 180.0° |
| O3 | C6 | N2 | H9 | 180.0° | 0.1° |
| C6 | N2 | H8 | H9 | 180.0° | 179.9° |
| C7 | N3 | H10 | C4 | 180.0° | 180.0° |
| N3 | C7 | C8 | C9 | 120.6° | 120.0° |
| N3 | C7 | C8 | H11 | 120.7° | 120.1° |
| N3 | C7 | C9 | H11 | 118.8° | 120.1° |
| N3 | C7 | C8 | O4 | 145.9° | 0.0° |
| N3 | C7 | C9 | C10 | 179.8° | 65.1° |
| N3 | C7 | C9 | H12 | 59.0° | 54.9° |
| N3 | C7 | C9 | H13 | 58.5° | 175.0° |
| N3 | C7 | C8 | N5 | 32.8° | 179.9° |
| H10 | N3 | C7 | C8 | 127.1° | 25.0° |
| H10 | N3 | C7 | C9 | 5.6° | 95.0° |
| H10 | N3 | C7 | H11 | 112.7° | 145.0° |
| C8 | C7 | C9 | H11 | 118.8° | 120.0° |
| C7 | C8 | O4 | N5 | 178.7° | 179.9° |
| C8 | C7 | C9 | C10 | 57.4° | 175.0° |
| C8 | C7 | C9 | H12 | 178.6° | 65.0° |
| C8 | C7 | C9 | H13 | 63.9° | 55.0° |
| C7 | C8 | N5 | C18 | 176.0° | 180.0° |
| C7 | C8 | N5 | H20 | 4.0° | 0.1° |
| C8 | C7 | N3 | C4 | 52.9° | 155.0° |
| C9 | C7 | C8 | O4 | 93.5° | 119.9° |
| C7 | C9 | C10 | H12 | 121.2° | 120.0° |
| C7 | C9 | C10 | H13 | 121.3° | 120.0° |
| C7 | C9 | H12 | H13 | 116.0° | 120.0° |
| C7 | C9 | C10 | C11 | 87.9° | 94.9° |
| C7 | C9 | C10 | C12 | 95.5° | 84.7° |
| C9 | C7 | N3 | C4 | 174.5° | 85.0° |
| C9 | C7 | C8 | N5 | 87.8° | 60.0° |
| H11 | C7 | C8 | O4 | 25.2° | 120.1° |
| H11 | C7 | C9 | C10 | 61.4° | 55.0° |
| H11 | C7 | C9 | H12 | 59.8° | 175.0° |
| H11 | C7 | C9 | H13 | 177.3° | 64.9° |
| H11 | C7 | N3 | C4 | 67.3° | 35.0° |
| H11 | C7 | C8 | N5 | 153.5° | 60.0° |
| O4 | C8 | N5 | C18 | 5.3° | 0.1° |
| O4 | C8 | N5 | H20 | 174.8° | 180.0° |
| C10 | C9 | H12 | H13 | 116.1° | 120.0° |
| C9 | C10 | C11 | C12 | 177.2° | 179.7° |
| C9 | C10 | C11 | N4 | 178.3° | 180.0° |
| C9 | C10 | C11 | H14 | 1.6° | 0.1° |
| C9 | C10 | C12 | C13 | 178.0° | 180.0° |
| C9 | C10 | C12 | C14 | 2.0° | 0.0° |
| H12 | C9 | C10 | C11 | 33.3° | 145.1° |
| H12 | C9 | C10 | C12 | 143.3° | 35.3° |
| H13 | C9 | C10 | C11 | 150.9° | 25.0° |
| H13 | C9 | C10 | C12 | 25.8° | 155.3° |
| C10 | C11 | N4 | H14 | 180.0° | 180.0° |
| C11 | C10 | C12 | C13 | 0.8° | 0.3° |
| C11 | C10 | C12 | C14 | 179.2° | 179.7° |
| C10 | C11 | N4 | C13 | 1.1° | 0.1° |
| C10 | C11 | N4 | H15 | 178.9° | 179.9° |
| C12 | C10 | C11 | N4 | 1.1° | 0.2° |
| C12 | C10 | C11 | H14 | 178.8° | 179.8° |
| C10 | C12 | C13 | C14 | 180.0° | 180.0° |
| C10 | C12 | C13 | N4 | 0.1° | 0.2° |
| C10 | C12 | C13 | C15 | 180.0° | 180.0° |
| C10 | C12 | C14 | C16 | 179.7° | 180.0° |
| C10 | C12 | C14 | H16 | 0.2° | 0.0° |
| C11 | N4 | C13 | C12 | 0.6° | 0.0° |
| C11 | N4 | C13 | H15 | 180.0° | 179.9° |
| C11 | N4 | C13 | C15 | 179.3° | 179.9° |
| H14 | C11 | N4 | C13 | 178.9° | 179.9° |
| H14 | C11 | N4 | H15 | 1.1° | 0.1° |
| C12 | C13 | N4 | C15 | 179.8° | 179.8° |
| C12 | C13 | N4 | H15 | 179.5° | 179.9° |
| C13 | C12 | C14 | C16 | 0.2° | 0.1° |
| C13 | C12 | C14 | H16 | 179.8° | 179.9° |
| C12 | C13 | C15 | C17 | 0.1° | 0.0° |
| C12 | C13 | C15 | H17 | 180.0° | 180.0° |
| C14 | C12 | C13 | N4 | 179.9° | 179.8° |
| C14 | C12 | C13 | C15 | 0.0° | 0.0° |
| C12 | C14 | C16 | H16 | 180.0° | 180.0° |
| C12 | C14 | C16 | C17 | 0.4° | 0.1° |
| C12 | C14 | C16 | H18 | 179.6° | 179.9° |
| N4 | C13 | C15 | C17 | 179.8° | 179.8° |
| N4 | C13 | C15 | H17 | 0.2° | 0.2° |
| H15 | N4 | C13 | C15 | 0.7° | 0.1° |
| C13 | C15 | C17 | H17 | 180.0° | 180.0° |
| C13 | C15 | C17 | C16 | 0.1° | 0.0° |
| C13 | C15 | C17 | H19 | 179.9° | 180.0° |
| C14 | C16 | C17 | C15 | 0.4° | 0.0° |
| C14 | C16 | C17 | H18 | 180.0° | 180.0° |
| C14 | C16 | C17 | H19 | 179.6° | 179.9° |
| H16 | C14 | C16 | C17 | 179.6° | 179.9° |
| H16 | C14 | C16 | H18 | 0.4° | 0.1° |
| C15 | C17 | C16 | H19 | 180.0° | 180.0° |
| C15 | C17 | C16 | H18 | 179.6° | 180.0° |
| H17 | C15 | C17 | C16 | 179.9° | 180.0° |
| H17 | C15 | C17 | H19 | 0.2° | 0.0° |
| H18 | C16 | C17 | H19 | 0.4° | 0.1° |
| C18 | N5 | H20 | C8 | 180.0° | 179.9° |
| N5 | C18 | C19 | C20 | 123.5° | 120.1° |
| N5 | C18 | C19 | H21 | 118.9° | 119.9° |
| N5 | C18 | C20 | H21 | 117.5° | 120.0° |
| N5 | C18 | C19 | O5 | 177.0° | 0.1° |
| N5 | C18 | C20 | C21 | 68.3° | 65.0° |
| N5 | C18 | C20 | H22 | 52.3° | 55.0° |
| N5 | C18 | C20 | H23 | 171.1° | 175.0° |
| N5 | C18 | C19 | N6 | 2.5° | 180.0° |
| H20 | N5 | C18 | C19 | 108.1° | 25.0° |
| H20 | N5 | C18 | C20 | 16.5° | 95.0° |
| H20 | N5 | C18 | H21 | 133.4° | 145.0° |
| C19 | C18 | C20 | H21 | 117.5° | 120.0° |
| C18 | C19 | O5 | N6 | 179.5° | 179.9° |
| C19 | C18 | C20 | C21 | 166.7° | 174.9° |
| C19 | C18 | C20 | H22 | 72.6° | 65.1° |
| C19 | C18 | C20 | H23 | 46.1° | 55.0° |
| C18 | C19 | N6 | C27 | 179.1° | 174.9° |
| C18 | C19 | N6 | H29 | 0.9° | 5.1° |
| C19 | C18 | N5 | C8 | 71.9° | 155.0° |
| C20 | C18 | C19 | O5 | 59.4° | 120.0° |
| C18 | C20 | C21 | H22 | 120.6° | 120.0° |
| C18 | C20 | C21 | H23 | 120.6° | 120.0° |
| C18 | C20 | H22 | H23 | 118.0° | 120.0° |
| C18 | C20 | C21 | C22 | 90.5° | 90.0° |
| C18 | C20 | C21 | C23 | 89.5° | 90.3° |
| C20 | C18 | N5 | C8 | 163.5° | 84.9° |
| C20 | C18 | C19 | N6 | 121.1° | 59.9° |
| H21 | C18 | C19 | O5 | 58.1° | 120.0° |
| H21 | C18 | C20 | C21 | 49.2° | 55.0° |
| H21 | C18 | C20 | H22 | 169.9° | 175.0° |
| H21 | C18 | C20 | H23 | 71.4° | 65.0° |
| H21 | C18 | N5 | C8 | 46.5° | 35.1° |
| H21 | C18 | C19 | N6 | 121.4° | 60.1° |
| O5 | C19 | N6 | C27 | 1.4° | 5.0° |
| O5 | C19 | N6 | H29 | 178.6° | 175.0° |
| C21 | C20 | H22 | H23 | 118.0° | 120.0° |
| C20 | C21 | C22 | C23 | 180.0° | 179.7° |
| C20 | C21 | C22 | C24 | 180.0° | 180.0° |
| C20 | C21 | C22 | H24 | 0.1° | 0.0° |
| C20 | C21 | C23 | C25 | 179.9° | 180.0° |
| C20 | C21 | C23 | H25 | 0.1° | 0.0° |
| H22 | C20 | C21 | C22 | 148.8° | 30.0° |
| H22 | C20 | C21 | C23 | 31.1° | 149.7° |
| H23 | C20 | C21 | C22 | 30.1° | 150.0° |
| H23 | C20 | C21 | C23 | 149.9° | 29.7° |
| C21 | C22 | C24 | H24 | 180.0° | 179.9° |
| C22 | C21 | C23 | C25 | 0.2° | 0.3° |
| C22 | C21 | C23 | H25 | 179.8° | 179.7° |
| C21 | C22 | C24 | C26 | 0.4° | 0.0° |
| C21 | C22 | C24 | H26 | 179.6° | 179.9° |
| C23 | C21 | C22 | C24 | 0.0° | 0.3° |
| C23 | C21 | C22 | H24 | 180.0° | 179.7° |
| C21 | C23 | C25 | H25 | 180.0° | 180.0° |
| C21 | C23 | C25 | C26 | 0.1° | 0.1° |
| C21 | C23 | C25 | H27 | 179.9° | 180.0° |
| C22 | C24 | C26 | H26 | 180.0° | 179.9° |
| C22 | C24 | C26 | C25 | 0.7° | 0.2° |
| C22 | C24 | C26 | H28 | 179.3° | 179.9° |
| H24 | C22 | C24 | C26 | 179.6° | 179.9° |
| H24 | C22 | C24 | H26 | 0.5° | 0.2° |
| C23 | C25 | C26 | C24 | 0.5° | 0.2° |
| C23 | C25 | C26 | H27 | 180.0° | 179.9° |
| C23 | C25 | C26 | H28 | 179.5° | 180.0° |
| H25 | C23 | C25 | C26 | 179.9° | 179.9° |
| H25 | C23 | C25 | H27 | 0.1° | 0.0° |
| C24 | C26 | C25 | H28 | 180.0° | 179.9° |
| C24 | C26 | C25 | H27 | 179.5° | 179.8° |
| H26 | C24 | C26 | C25 | 179.3° | 179.9° |
| H26 | C24 | C26 | H28 | 0.7° | 0.0° |
| H27 | C25 | C26 | H28 | 0.5° | 0.1° |
| C27 | N6 | H29 | C19 | 180.0° | 179.9° |
| N6 | C27 | C28 | C29 | 124.5° | 120.0° |
| N6 | C27 | C28 | H30 | 119.0° | 120.0° |
| N6 | C27 | C29 | H30 | 117.4° | 120.0° |
| N6 | C27 | C28 | O6 | 173.6° | 0.0° |
| N6 | C27 | C29 | C30 | 75.0° | 62.7° |
| N6 | C27 | C29 | H31 | 45.4° | 57.3° |
| N6 | C27 | C29 | H32 | 164.6° | 177.3° |
| N6 | C27 | C28 | N8 | 5.2° | 180.0° |
| H29 | N6 | C27 | C28 | 76.4° | 99.2° |
| H29 | N6 | C27 | C29 | 48.3° | 20.8° |
| H29 | N6 | C27 | H30 | 165.1° | 140.8° |
| C28 | C27 | C29 | H30 | 116.6° | 120.0° |
| C27 | C28 | O6 | N8 | 178.7° | 180.0° |
| C28 | C27 | C29 | C30 | 159.0° | 177.3° |
| C28 | C27 | C29 | H31 | 80.6° | 62.7° |
| C28 | C27 | C29 | H32 | 38.6° | 57.3° |
| C27 | C28 | N8 | C31 | 172.1° | 175.1° |
| C27 | C28 | N8 | H35 | 7.9° | 4.9° |
| C28 | C27 | N6 | C19 | 103.6° | 80.8° |
| C29 | C27 | C28 | O6 | 62.0° | 120.0° |
| C27 | C29 | C30 | H31 | 120.4° | 120.0° |
| C27 | C29 | C30 | H32 | 120.4° | 120.0° |
| C27 | C29 | H31 | H32 | 118.7° | 120.0° |
| C27 | C29 | C30 | O7 | 29.8° | 4.8° |
| C27 | C29 | C30 | N7 | 149.7° | 175.2° |
| C29 | C27 | N6 | C19 | 131.8° | 159.1° |
| C29 | C27 | C28 | N8 | 119.3° | 60.0° |
| H30 | C27 | C28 | O6 | 54.6° | 120.0° |
| H30 | C27 | C29 | C30 | 42.4° | 57.3° |
| H30 | C27 | C29 | H31 | 162.8° | 177.3° |
| H30 | C27 | C29 | H32 | 78.0° | 62.6° |
| H30 | C27 | N6 | C19 | 14.9° | 39.1° |
| H30 | C27 | C28 | N8 | 124.2° | 60.0° |
| O6 | C28 | N8 | C31 | 9.2° | 4.9° |
| O6 | C28 | N8 | H35 | 170.8° | 175.1° |
| C30 | C29 | H31 | H32 | 118.7° | 120.0° |
| C29 | C30 | O7 | N7 | 179.5° | 179.9° |
| C29 | C30 | N7 | H33 | 179.5° | 0.0° |
| C29 | C30 | N7 | H34 | 0.5° | 180.0° |
| H31 | C29 | C30 | O7 | 150.2° | 115.3° |
| H31 | C29 | C30 | N7 | 29.3° | 64.8° |
| H32 | C29 | C30 | O7 | 90.6° | 124.8° |
| H32 | C29 | C30 | N7 | 89.9° | 55.2° |
| O7 | C30 | N7 | H33 | 0.0° | 179.9° |
| O7 | C30 | N7 | H34 | 180.0° | 0.1° |
| C30 | N7 | H33 | H34 | 180.0° | 180.0° |
| C31 | N8 | H35 | C28 | 180.0° | 180.0° |
| N8 | C31 | C32 | C33 | 124.9° | 119.9° |
| N8 | C31 | C32 | H36 | 118.9° | 120.1° |
| N8 | C31 | C33 | H36 | 117.2° | 120.0° |
| N8 | C31 | C32 | O8 | 138.2° | 1.7° |
| N8 | C31 | C33 | C34 | 65.3° | 52.3° |
| N8 | C31 | C33 | C35 | 173.1° | 67.7° |
| N8 | C31 | C33 | H37 | 53.4° | 172.4° |
| N8 | C31 | C32 | N9 | 39.9° | 178.3° |
| H35 | N8 | C31 | C32 | 113.8° | 31.9° |
| H35 | N8 | C31 | C33 | 11.2° | 88.0° |
| H35 | N8 | C31 | H36 | 127.9° | 152.0° |
| C32 | C31 | C33 | H36 | 116.1° | 120.0° |
| C31 | C32 | O8 | N9 | 178.0° | 180.0° |
| C32 | C31 | C33 | C34 | 168.0° | 67.6° |
| C32 | C31 | C33 | C35 | 46.4° | 172.4° |
| C32 | C31 | C33 | H37 | 73.3° | 52.4° |
| C31 | C32 | N9 | C37 | 173.9° | 174.9° |
| C31 | C32 | N9 | H46 | 6.1° | 5.0° |
| C32 | C31 | N8 | C28 | 66.2° | 148.1° |
| C33 | C31 | C32 | O8 | 96.9° | 121.7° |
| C31 | C33 | C34 | C35 | 122.6° | 120.0° |
| C31 | C33 | C34 | H37 | 118.7° | 120.0° |
| C31 | C33 | C35 | H37 | 119.5° | 120.0° |
| C31 | C33 | C34 | C36 | 177.2° | 69.5° |
| C31 | C33 | C34 | H38 | 56.7° | 170.5° |
| C31 | C33 | C34 | H39 | 62.3° | 50.5° |
| C31 | C33 | C35 | H40 | 180.0° | 65.2° |
| C31 | C33 | C35 | H41 | 60.0° | 174.8° |
| C31 | C33 | C35 | H42 | 60.0° | 54.8° |
| C33 | C31 | N8 | C28 | 168.8° | 92.0° |
| C33 | C31 | C32 | N9 | 85.0° | 58.4° |
| H36 | C31 | C32 | O8 | 19.3° | 118.3° |
| H36 | C31 | C33 | C34 | 51.9° | 172.4° |
| H36 | C31 | C33 | C35 | 69.7° | 52.3° |
| H36 | C31 | C33 | H37 | 170.6° | 67.6° |
| H36 | C31 | N8 | C28 | 52.1° | 28.0° |
| H36 | C31 | C32 | N9 | 158.8° | 61.7° |
| O8 | C32 | N9 | C37 | 8.0° | 5.1° |
| O8 | C32 | N9 | H46 | 172.0° | 175.0° |
| C34 | C33 | C35 | H37 | 118.6° | 120.0° |
| C33 | C34 | C36 | H38 | 120.5° | 120.0° |
| C33 | C34 | C36 | H39 | 120.5° | 120.0° |
| C33 | C34 | H38 | H39 | 118.5° | 120.0° |
| C34 | C33 | C35 | H40 | 58.1° | 54.8° |
| C34 | C33 | C35 | H41 | 178.1° | 65.2° |
| C34 | C33 | C35 | H42 | 61.9° | 174.8° |
| C33 | C34 | C36 | H43 | 180.0° | 169.9° |
| C33 | C34 | C36 | H44 | 60.0° | 70.1° |
| C33 | C34 | C36 | H45 | 60.0° | 49.9° |
| C35 | C33 | C34 | C36 | 54.6° | 170.4° |
| C35 | C33 | C34 | H38 | 65.9° | 50.4° |
| C35 | C33 | C34 | H39 | 175.1° | 69.5° |
| C33 | C35 | H40 | H41 | 120.0° | 120.0° |
| C33 | C35 | H40 | H42 | 120.0° | 120.0° |
| C33 | C35 | H41 | H42 | 120.0° | 120.0° |
| H37 | C33 | C34 | C36 | 64.1° | 50.5° |
| H37 | C33 | C34 | H38 | 175.4° | 69.5° |
| H37 | C33 | C34 | H39 | 56.4° | 170.5° |
| H37 | C33 | C35 | H40 | 60.5° | 174.8° |
| H37 | C33 | C35 | H41 | 59.5° | 54.8° |
| H37 | C33 | C35 | H42 | 179.5° | 65.2° |
| C36 | C34 | H38 | H39 | 118.5° | 120.0° |
| C34 | C36 | H43 | H44 | 120.0° | 120.0° |
| C34 | C36 | H43 | H45 | 120.0° | 120.0° |
| C34 | C36 | H44 | H45 | 120.0° | 120.0° |
| H38 | C34 | C36 | H43 | 59.6° | 49.9° |
| H38 | C34 | C36 | H44 | 179.6° | 169.9° |
| H38 | C34 | C36 | H45 | 60.4° | 70.0° |
| H39 | C34 | C36 | H43 | 59.4° | 70.0° |
| H39 | C34 | C36 | H44 | 60.6° | 50.0° |
| H39 | C34 | C36 | H45 | 179.5° | 170.0° |
| H40 | C35 | H41 | H42 | 120.0° | 120.0° |
| H43 | C36 | H44 | H45 | 120.0° | 119.9° |
| C37 | N9 | H46 | C32 | 180.0° | 179.9° |
| N9 | C37 | C38 | C39 | 125.8° | 120.0° |
| N9 | C37 | C38 | H47 | 117.6° | 120.0° |
| N9 | C37 | C39 | H47 | 118.4° | 120.0° |
| N9 | C37 | C38 | O9 | 156.1° | 0.0° |
| N9 | C37 | C39 | O10 | 55.1° | 65.0° |
| N9 | C37 | C39 | C40 | 63.9° | 55.0° |
| N9 | C37 | C39 | H48 | 176.2° | 175.0° |
| N9 | C37 | C38 | N10 | 23.7° | 180.0° |
| H46 | N9 | C37 | C38 | 107.3° | 25.1° |
| H46 | N9 | C37 | C39 | 17.8° | 95.0° |
| H46 | N9 | C37 | H47 | 135.6° | 145.0° |
| C38 | C37 | C39 | H47 | 116.8° | 120.0° |
| C37 | C38 | O9 | N10 | 179.7° | 179.9° |
| C38 | C37 | C39 | O10 | 69.6° | 55.0° |
| C38 | C37 | C39 | C40 | 171.3° | 175.0° |
| C38 | C37 | C39 | H48 | 51.5° | 65.0° |
| C37 | C38 | N10 | C41 | 173.0° | 175.0° |
| C37 | C38 | N10 | H53 | 7.0° | 5.0° |
| C38 | C37 | N9 | C32 | 72.7° | 155.0° |
| C39 | C37 | C38 | O9 | 78.1° | 120.0° |
| C37 | C39 | O10 | C40 | 119.5° | 120.0° |
| C37 | C39 | O10 | H48 | 120.1° | 120.0° |
| C37 | C39 | C40 | H48 | 119.6° | 120.0° |
| C37 | C39 | O10 | H49 | 180.0° | 60.0° |
| C37 | C39 | C40 | H50 | 180.0° | 60.0° |
| C37 | C39 | C40 | H51 | 60.0° | 180.0° |
| C37 | C39 | C40 | H52 | 60.0° | 60.0° |
| C39 | C37 | N9 | C32 | 162.2° | 85.0° |
| C39 | C37 | C38 | N10 | 102.1° | 59.9° |
| H47 | C37 | C38 | O9 | 38.5° | 120.0° |
| H47 | C37 | C39 | O10 | 173.5° | 175.0° |
| H47 | C37 | C39 | C40 | 54.5° | 65.0° |
| H47 | C37 | C39 | H48 | 65.4° | 55.0° |
| H47 | C37 | N9 | C32 | 44.4° | 35.0° |
| H47 | C37 | C38 | N10 | 141.2° | 60.0° |
| O9 | C38 | N10 | C41 | 6.8° | 5.1° |
| O9 | C38 | N10 | H53 | 173.2° | 174.9° |
| O10 | C39 | C40 | H48 | 121.2° | 120.0° |
| O10 | C39 | C40 | H50 | 60.7° | 60.0° |
| O10 | C39 | C40 | H51 | 179.3° | 60.0° |
| O10 | C39 | C40 | H52 | 59.3° | 180.0° |
| C40 | C39 | O10 | H49 | 60.5° | 60.0° |
| C39 | C40 | H50 | H51 | 120.0° | 120.0° |
| C39 | C40 | H50 | H52 | 120.0° | 120.0° |
| C39 | C40 | H51 | H52 | 120.0° | 120.0° |
| H48 | C39 | O10 | H49 | 59.9° | 180.0° |
| H48 | C39 | C40 | H50 | 60.5° | 180.0° |
| H48 | C39 | C40 | H51 | 59.6° | 60.0° |
| H48 | C39 | C40 | H52 | 179.6° | 60.0° |
| H50 | C40 | H51 | H52 | 120.0° | 120.0° |
| C41 | N10 | H53 | C38 | 180.0° | 180.0° |
| N10 | C41 | C42 | C43 | 123.6° | 120.0° |
| N10 | C41 | C42 | H54 | 118.8° | 120.0° |
| N10 | C41 | C43 | H54 | 118.6° | 120.0° |
| N10 | C41 | C42 | O11 | 132.8° | 0.0° |
| N10 | C41 | C43 | C44 | 174.3° | 65.5° |
| N10 | C41 | C43 | H55 | 53.9° | 54.4° |
| N10 | C41 | C43 | H56 | 65.4° | 174.5° |
| N10 | C41 | C42 | N12 | 46.6° | 180.0° |
| H53 | N10 | C41 | C42 | 114.9° | 123.0° |
| H53 | N10 | C41 | C43 | 8.8° | 116.9° |
| H53 | N10 | C41 | H54 | 126.9° | 3.1° |
| C42 | C41 | C43 | H54 | 117.6° | 120.0° |
| C41 | C42 | O11 | N12 | 179.4° | 180.0° |
| C42 | C41 | C43 | C44 | 61.9° | 174.5° |
| C42 | C41 | C43 | H55 | 177.7° | 65.6° |
| C42 | C41 | C43 | H56 | 58.4° | 54.4° |
| C41 | C42 | N12 | C45 | 176.5° | 174.8° |
| C41 | C42 | N12 | H59 | 3.5° | 5.1° |
| C42 | C41 | N10 | C38 | 65.1° | 56.9° |
| C43 | C41 | C42 | O11 | 103.6° | 120.0° |
| C41 | C43 | C44 | H55 | 120.4° | 120.0° |
| C41 | C43 | C44 | H56 | 120.4° | 120.0° |
| C41 | C43 | H55 | H56 | 118.9° | 120.0° |
| C41 | C43 | C44 | O12 | 70.4° | 4.8° |
| C41 | C43 | C44 | N11 | 107.8° | 175.1° |
| C43 | C41 | N10 | C38 | 171.2° | 63.1° |
| C43 | C41 | C42 | N12 | 77.0° | 60.0° |
| H54 | C41 | C42 | O11 | 14.0° | 120.0° |
| H54 | C41 | C43 | C44 | 55.6° | 54.5° |
| H54 | C41 | C43 | H55 | 64.8° | 174.5° |
| H54 | C41 | C43 | H56 | 176.0° | 65.5° |
| H54 | C41 | N10 | C38 | 53.1° | 176.9° |
| H54 | C41 | C42 | N12 | 165.4° | 60.0° |
| O11 | C42 | N12 | C45 | 2.9° | 5.2° |
| O11 | C42 | N12 | H59 | 177.1° | 174.9° |
| C44 | C43 | H55 | H56 | 118.9° | 120.0° |
| C43 | C44 | O12 | N11 | 178.2° | 179.9° |
| C43 | C44 | N11 | H57 | 178.3° | 0.1° |
| C43 | C44 | N11 | H58 | 1.8° | 180.0° |
| H55 | C43 | C44 | O12 | 50.0° | 115.1° |
| H55 | C43 | C44 | N11 | 131.8° | 65.0° |
| H56 | C43 | C44 | O12 | 169.2° | 124.8° |
| H56 | C43 | C44 | N11 | 12.5° | 55.0° |
| O12 | C44 | N11 | H57 | 0.0° | 180.0° |
| O12 | C44 | N11 | H58 | 180.0° | 0.1° |
| C44 | N11 | H57 | H58 | 180.0° | 179.9° |
| C45 | N12 | H59 | C42 | 180.0° | 179.9° |
| N12 | C45 | C46 | C48 | 115.0° | 120.0° |
| N12 | C45 | C46 | C49 | 118.0° | 120.0° |
| N12 | C45 | C48 | C49 | 118.0° | 119.9° |
| N12 | C45 | C46 | C47 | 177.1° | 39.0° |
| N12 | C45 | C46 | H60 | 55.5° | 81.0° |
| N12 | C45 | C46 | H61 | 61.3° | 159.0° |
| N12 | C45 | C48 | H63 | 180.0° | 59.9° |
| N12 | C45 | C48 | H64 | 60.0° | 180.0° |
| N12 | C45 | C48 | H65 | 60.0° | 60.0° |
| N12 | C45 | C49 | O13 | 129.9° | 111.6° |
| N12 | C45 | C49 | N13 | 49.2° | 68.5° |
| H59 | N12 | C45 | C46 | 114.9° | 123.8° |
| H59 | N12 | C45 | C48 | 1.7° | 116.2° |
| H59 | N12 | C45 | C49 | 124.2° | 3.7° |
| C46 | C45 | C48 | C49 | 125.7° | 120.0° |
| C45 | C46 | C47 | H60 | 121.6° | 120.0° |
| C45 | C46 | C47 | H61 | 121.6° | 120.0° |
| C45 | C46 | H60 | H61 | 114.8° | 119.9° |
| C45 | C46 | C47 | H62 | 16.0° | 56.7° |
| C46 | C45 | C48 | H63 | 63.7° | 180.0° |
| C46 | C45 | C48 | H64 | 56.3° | 60.0° |
| C46 | C45 | C48 | H65 | 176.3° | 60.0° |
| C46 | C45 | C49 | O13 | 11.3° | 8.4° |
| C46 | C45 | N12 | C42 | 65.1° | 56.2° |
| C45 | C46 | C47 | C71 | 164.0° | 123.3° |
| C46 | C45 | C49 | N13 | 167.8° | 171.5° |
| C48 | C45 | C46 | C47 | 67.8° | 159.0° |
| C48 | C45 | C46 | H60 | 170.6° | 39.0° |
| C48 | C45 | C46 | H61 | 53.8° | 80.9° |
| C45 | C48 | H63 | H64 | 120.0° | 120.0° |
| C45 | C48 | H63 | H65 | 120.0° | 119.9° |
| C45 | C48 | H64 | H65 | 120.0° | 120.0° |
| C48 | C45 | C49 | O13 | 112.7° | 128.5° |
| C48 | C45 | N12 | C42 | 178.3° | 63.9° |
| C48 | C45 | C49 | N13 | 68.2° | 51.4° |
| C49 | C45 | C46 | C47 | 59.2° | 81.0° |
| C49 | C45 | C46 | H60 | 62.5° | 159.0° |
| C49 | C45 | C46 | H61 | 179.2° | 39.1° |
| C49 | C45 | C48 | H63 | 62.0° | 60.0° |
| C49 | C45 | C48 | H64 | 178.0° | 60.1° |
| C49 | C45 | C48 | H65 | 58.0° | 179.9° |
| C45 | C49 | O13 | N13 | 179.1° | 179.9° |
| C45 | C49 | N13 | C50 | 179.3° | 180.0° |
| C45 | C49 | N13 | H66 | 0.7° | 0.0° |
| C49 | C45 | N12 | C42 | 55.8° | 176.2° |
| C47 | C46 | H60 | H61 | 114.8° | 120.1° |
| C46 | C47 | H62 | C71 | 180.0° | 180.0° |
| C46 | C47 | C71 | C70 | 109.1° | 180.0° |
| C46 | C47 | C71 | H92 | 70.9° | 0.1° |
| H60 | C46 | C47 | H62 | 137.6° | 63.3° |
| H60 | C46 | C47 | C71 | 42.4° | 116.7° |
| H61 | C46 | C47 | H62 | 105.6° | 176.7° |
| H61 | C46 | C47 | C71 | 74.4° | 3.3° |
| H62 | C47 | C71 | C70 | 70.9° | 0.0° |
| H62 | C47 | C71 | H92 | 109.1° | 179.9° |
| H63 | C48 | H64 | H65 | 120.0° | 120.0° |
| O13 | C49 | N13 | C50 | 0.1° | 0.1° |
| O13 | C49 | N13 | H66 | 179.8° | 179.9° |
| C50 | N13 | H66 | C49 | 180.0° | 180.0° |
| N13 | C50 | C51 | C52 | 122.6° | 119.7° |
| N13 | C50 | C51 | H67 | 120.6° | 119.6° |
| N13 | C50 | C52 | H67 | 119.2° | 120.5° |
| N13 | C50 | C51 | O14 | 138.4° | 19.7° |
| N13 | C50 | C52 | C53 | 70.1° | 68.5° |
| N13 | C50 | C52 | H68 | 50.5° | 51.5° |
| N13 | C50 | C52 | H69 | 169.2° | 171.5° |
| N13 | C50 | C51 | N14 | 42.3° | 160.4° |
| H66 | N13 | C50 | C51 | 120.1° | 116.9° |
| H66 | N13 | C50 | C52 | 1.6° | 2.8° |
| H66 | N13 | C50 | H67 | 120.0° | 123.4° |
| C51 | C50 | C52 | H67 | 116.8° | 120.5° |
| C50 | C51 | O14 | N14 | 179.3° | 179.9° |
| C51 | C50 | C52 | C53 | 165.9° | 172.5° |
| C51 | C50 | C52 | H68 | 73.4° | 67.5° |
| C51 | C50 | C52 | H69 | 45.2° | 52.5° |
| C50 | C51 | N14 | C56 | 179.0° | 179.8° |
| C50 | C51 | N14 | H77 | 1.0° | 0.2° |
| C51 | C50 | N13 | C49 | 59.8° | 63.0° |
| C52 | C50 | C51 | O14 | 99.0° | 100.1° |
| C50 | C52 | C53 | H68 | 120.7° | 120.0° |
| C50 | C52 | C53 | H69 | 120.7° | 120.0° |
| C50 | C52 | H68 | H69 | 117.9° | 120.0° |
| C50 | C52 | C53 | C54 | 173.9° | 66.0° |
| C50 | C52 | C53 | C55 | 58.5° | 174.0° |
| C50 | C52 | C53 | H70 | 57.5° | 54.0° |
| C52 | C50 | N13 | C49 | 178.4° | 177.2° |
| C52 | C50 | C51 | N14 | 80.3° | 79.9° |
| H67 | C50 | C51 | O14 | 17.8° | 139.3° |
| H67 | C50 | C52 | C53 | 49.1° | 52.0° |
| H67 | C50 | C52 | H68 | 169.8° | 172.1° |
| H67 | C50 | C52 | H69 | 71.6° | 68.0° |
| H67 | C50 | N13 | C49 | 60.0° | 56.6° |
| H67 | C50 | C51 | N14 | 162.9° | 40.7° |
| O14 | C51 | N14 | C56 | 0.3° | 0.3° |
| O14 | C51 | N14 | H77 | 179.7° | 179.7° |
| C53 | C52 | H68 | H69 | 117.9° | 120.0° |
| C52 | C53 | C54 | C55 | 127.2° | 120.0° |
| C52 | C53 | C54 | H70 | 116.0° | 120.0° |
| C52 | C53 | C55 | H70 | 115.8° | 120.0° |
| C52 | C53 | C54 | H71 | 180.0° | 52.0° |
| C52 | C53 | C54 | H72 | 60.0° | 172.0° |
| C52 | C53 | C54 | H73 | 60.0° | 68.0° |
| C52 | C53 | C55 | H74 | 180.0° | 60.0° |
| C52 | C53 | C55 | H75 | 60.0° | 179.9° |
| C52 | C53 | C55 | H76 | 60.0° | 60.0° |
| H68 | C52 | C53 | C54 | 53.3° | 54.0° |
| H68 | C52 | C53 | C55 | 179.1° | 66.0° |
| H68 | C52 | C53 | H70 | 63.2° | 174.0° |
| H69 | C52 | C53 | C54 | 65.4° | 174.0° |
| H69 | C52 | C53 | C55 | 62.2° | 53.9° |
| H69 | C52 | C53 | H70 | 178.1° | 66.0° |
| C54 | C53 | C55 | H70 | 117.0° | 120.0° |
| C53 | C54 | H71 | H72 | 120.0° | 120.0° |
| C53 | C54 | H71 | H73 | 120.0° | 120.1° |
| C53 | C54 | H72 | H73 | 120.0° | 120.1° |
| C54 | C53 | C55 | H74 | 52.9° | 180.0° |
| C54 | C53 | C55 | H75 | 67.1° | 60.0° |
| C54 | C53 | C55 | H76 | 172.9° | 60.0° |
| C55 | C53 | C54 | H71 | 52.8° | 68.0° |
| C55 | C53 | C54 | H72 | 172.8° | 52.0° |
| C55 | C53 | C54 | H73 | 67.2° | 172.0° |
| C53 | C55 | H74 | H75 | 120.0° | 120.0° |
| C53 | C55 | H74 | H76 | 120.0° | 120.0° |
| C53 | C55 | H75 | H76 | 120.0° | 119.9° |
| H70 | C53 | C54 | H71 | 64.0° | 172.0° |
| H70 | C53 | C54 | H72 | 56.0° | 68.1° |
| H70 | C53 | C54 | H73 | 176.0° | 52.0° |
| H70 | C53 | C55 | H74 | 64.2° | 60.0° |
| H70 | C53 | C55 | H75 | 175.8° | 60.1° |
| H70 | C53 | C55 | H76 | 55.8° | 180.0° |
| H71 | C54 | H72 | H73 | 120.0° | 119.9° |
| H74 | C55 | H75 | H76 | 120.0° | 120.0° |
| C56 | N14 | H77 | C51 | 180.0° | 180.0° |
| N14 | C56 | C57 | C58 | 121.7° | 119.8° |
| N14 | C56 | C57 | H78 | 120.2° | 119.7° |
| N14 | C56 | C58 | H78 | 118.0° | 120.4° |
| N14 | C56 | C57 | O15 | 143.9° | 51.2° |
| N14 | C56 | C58 | C59 | 170.2° | 159.2° |
| N14 | C56 | C58 | H79 | 68.5° | 39.1° |
| N14 | C56 | C58 | H80 | 48.8° | 80.9° |
| N14 | C56 | C57 | N16 | 36.9° | 128.7° |
| H77 | N14 | C56 | C57 | 114.2° | 94.8° |
| H77 | N14 | C56 | C58 | 8.3° | 145.4° |
| H77 | N14 | C56 | H78 | 126.0° | 24.9° |
| C57 | C56 | C58 | H78 | 118.0° | 120.4° |
| C56 | C57 | O15 | N16 | 179.1° | 179.9° |
| C57 | C56 | C58 | C59 | 46.2° | 81.7° |
| C57 | C56 | C58 | H79 | 167.5° | 158.3° |
| C57 | C56 | C58 | H80 | 75.2° | 38.3° |
| C56 | C57 | N16 | H87 | 1.4° | 1.8° |
| C56 | C57 | N16 | C68 | 178.6° | 178.3° |
| C57 | C56 | N14 | C51 | 65.8° | 85.1° |
| C58 | C56 | C57 | O15 | 94.4° | 170.9° |
| C56 | C58 | C59 | H79 | 121.4° | 120.0° |
| C56 | C58 | C59 | H80 | 121.4° | 120.0° |
| C56 | C58 | H79 | H80 | 115.7° | 120.0° |
| C56 | C58 | C59 | C60 | 81.7° | 122.3° |
| C56 | C58 | C59 | C61 | 98.4° | 57.3° |
| C58 | C56 | N14 | C51 | 171.7° | 34.6° |
| C58 | C56 | C57 | N16 | 84.8° | 9.0° |
| H78 | C56 | C57 | O15 | 23.7° | 68.6° |
| H78 | C56 | C58 | C59 | 71.8° | 38.7° |
| H78 | C56 | C58 | H79 | 49.6° | 81.3° |
| H78 | C56 | C58 | H80 | 166.8° | 158.7° |
| H78 | C56 | N14 | C51 | 54.0° | 155.1° |
| H78 | C56 | C57 | N16 | 157.1° | 111.5° |
| O15 | C57 | N16 | H87 | 179.4° | 178.2° |
| O15 | C57 | N16 | C68 | 0.6° | 1.6° |
| C59 | C58 | H79 | H80 | 115.7° | 120.0° |
| C58 | C59 | C60 | C61 | 179.9° | 179.7° |
| C58 | C59 | C60 | N15 | 179.7° | 180.0° |
| C58 | C59 | C60 | H81 | 0.3° | 0.1° |
| C58 | C59 | C61 | C62 | 179.9° | 180.0° |
| C58 | C59 | C61 | C63 | 0.1° | 0.0° |
| H79 | C58 | C59 | C60 | 39.7° | 117.7° |
| H79 | C58 | C59 | C61 | 140.2° | 62.7° |
| H80 | C58 | C59 | C60 | 157.0° | 2.4° |
| H80 | C58 | C59 | C61 | 22.9° | 177.3° |
| C59 | C60 | N15 | H81 | 180.0° | 179.9° |
| C60 | C59 | C61 | C62 | 0.0° | 0.3° |
| C60 | C59 | C61 | C63 | 180.0° | 179.8° |
| C59 | C60 | N15 | C62 | 0.3° | 0.2° |
| C59 | C60 | N15 | H82 | 179.7° | 180.0° |
| C61 | C59 | C60 | N15 | 0.2° | 0.3° |
| C61 | C59 | C60 | H81 | 179.8° | 179.8° |
| C59 | C61 | C62 | C63 | 180.0° | 179.9° |
| C59 | C61 | C62 | N15 | 0.1° | 0.2° |
| C59 | C61 | C62 | C64 | 179.9° | 180.0° |
| C59 | C61 | C63 | C65 | 179.9° | 179.9° |
| C59 | C61 | C63 | H83 | 0.1° | 0.0° |
| C60 | N15 | C62 | C61 | 0.3° | 0.0° |
| C60 | N15 | C62 | H82 | 180.0° | 179.8° |
| C60 | N15 | C62 | C64 | 179.8° | 179.8° |
| H81 | C60 | N15 | C62 | 179.7° | 180.0° |
| H81 | C60 | N15 | H82 | 0.3° | 0.1° |
| C61 | C62 | N15 | C64 | 180.0° | 179.7° |
| C61 | C62 | N15 | H82 | 179.7° | 179.8° |
| C62 | C61 | C63 | C65 | 0.1° | 0.0° |
| C62 | C61 | C63 | H83 | 179.9° | 180.0° |
| C61 | C62 | C64 | C66 | 0.3° | 0.1° |
| C61 | C62 | C64 | H84 | 179.7° | 180.0° |
| C63 | C61 | C62 | N15 | 179.8° | 179.9° |
| C63 | C61 | C62 | C64 | 0.1° | 0.1° |
| C61 | C63 | C65 | H83 | 180.0° | 179.9° |
| C61 | C63 | C65 | C66 | 0.2° | 0.1° |
| C61 | C63 | C65 | H85 | 179.8° | 180.0° |
| N15 | C62 | C64 | C66 | 179.6° | 179.8° |
| N15 | C62 | C64 | H84 | 0.4° | 0.3° |
| H82 | N15 | C62 | C64 | 0.2° | 0.1° |
| C62 | C64 | C66 | H84 | 180.0° | 179.9° |
| C62 | C64 | C66 | C65 | 0.3° | 0.0° |
| C62 | C64 | C66 | H86 | 179.7° | 180.0° |
| C63 | C65 | C66 | C64 | 0.0° | 0.1° |
| C63 | C65 | C66 | H85 | 180.0° | 179.8° |
| C63 | C65 | C66 | H86 | 180.0° | 179.9° |
| H83 | C63 | C65 | C66 | 179.8° | 179.9° |
| H83 | C63 | C65 | H85 | 0.2° | 0.1° |
| C64 | C66 | C65 | H86 | 180.0° | 180.0° |
| C64 | C66 | C65 | H85 | 180.0° | 180.0° |
| H84 | C64 | C66 | C65 | 179.7° | 179.9° |
| H84 | C64 | C66 | H86 | 0.3° | 0.1° |
| H85 | C65 | C66 | H86 | 0.0° | 0.1° |
| C67 | C68 | N16 | H87 | 115.2° | 169.8° |
| C68 | C67 | O16 | N17 | 178.8° | 179.9° |
| C67 | C68 | N16 | C69 | 121.6° | 119.7° |
| C67 | C68 | N16 | C73 | 115.1° | 120.4° |
| C67 | C68 | C69 | C73 | 120.3° | 120.5° |
| C67 | C68 | C69 | H88 | 178.4° | 127.4° |
| C67 | C68 | C69 | H89 | 64.8° | 112.6° |
| C67 | C68 | C69 | C72 | 56.8° | 7.4° |
| C67 | C68 | C73 | H95 | 180.0° | 60.0° |
| C67 | C68 | C73 | H96 | 60.0° | 180.0° |
| C67 | C68 | C73 | H97 | 60.0° | 60.1° |
| C68 | C67 | N17 | C74 | 179.0° | 177.0° |
| C68 | C67 | N17 | H98 | 1.0° | 2.9° |
| C67 | C68 | N16 | C57 | 64.7° | 10.3° |
| H87 | N16 | C68 | C57 | 180.0° | 179.9° |
| H87 | N16 | C68 | C69 | 6.3° | 50.1° |
| H87 | N16 | C68 | C73 | 129.7° | 69.8° |
| O16 | C67 | C68 | N16 | 131.2° | 57.1° |
| O16 | C67 | C68 | C69 | 112.9° | 61.8° |
| O16 | C67 | C68 | C73 | 9.8° | 177.6° |
| O16 | C67 | N17 | C74 | 0.3° | 3.0° |
| O16 | C67 | N17 | H98 | 179.7° | 177.0° |
| N16 | C68 | C69 | C73 | 126.2° | 119.8° |
| N16 | C68 | C69 | H88 | 68.1° | 112.9° |
| N16 | C68 | C69 | H89 | 48.7° | 7.1° |
| N16 | C68 | C69 | C72 | 170.3° | 127.1° |
| N16 | C68 | C73 | H95 | 66.9° | 60.4° |
| N16 | C68 | C73 | H96 | 173.2° | 59.6° |
| N16 | C68 | C73 | H97 | 53.1° | 179.5° |
| N16 | C68 | C67 | N17 | 47.5° | 122.8° |
| C68 | C69 | H88 | H89 | 114.8° | 119.9° |
| C68 | C69 | H88 | C72 | 130.3° | 120.0° |
| C68 | C69 | H89 | C72 | 130.3° | 120.0° |
| C68 | C69 | C72 | C70 | 109.8° | 147.8° |
| C68 | C69 | C72 | H93 | 129.9° | 27.8° |
| C68 | C69 | C72 | H94 | 10.6° | 92.2° |
| C69 | C68 | C73 | H95 | 54.5° | 179.4° |
| C69 | C68 | C73 | H96 | 65.4° | 59.5° |
| C69 | C68 | C73 | H97 | 174.5° | 60.5° |
| C69 | C68 | N16 | C57 | 173.7° | 130.0° |
| C69 | C68 | C67 | N17 | 68.4° | 118.3° |
| H88 | C69 | H89 | C72 | 114.9° | 120.0° |
| H88 | C69 | C72 | C70 | 128.6° | 92.2° |
| H88 | C69 | C72 | H93 | 8.3° | 147.8° |
| H88 | C69 | C72 | H94 | 111.1° | 27.8° |
| H88 | C69 | C68 | C73 | 58.1° | 6.9° |
| H89 | C69 | C72 | C70 | 11.8° | 27.8° |
| H89 | C69 | C72 | H93 | 108.5° | 92.2° |
| H89 | C69 | C72 | H94 | 132.1° | 147.8° |
| H89 | C69 | C68 | C73 | 174.9° | 126.9° |
| C72 | C70 | H90 | H91 | 118.2° | 119.9° |
| C72 | C70 | H90 | C71 | 123.6° | 120.0° |
| C72 | C70 | H91 | C71 | 123.6° | 120.0° |
| C72 | C70 | C71 | H92 | 75.8° | 35.3° |
| C70 | C72 | C69 | H93 | 120.3° | 120.0° |
| C70 | C72 | C69 | H94 | 120.3° | 120.0° |
| C70 | C72 | H93 | H94 | 119.1° | 120.0° |
| C72 | C70 | C71 | C47 | 104.2° | 144.8° |
| H90 | C70 | H91 | C71 | 118.2° | 120.0° |
| H90 | C70 | C71 | H92 | 163.6° | 155.3° |
| H90 | C70 | C72 | C69 | 51.6° | 7.7° |
| H90 | C70 | C72 | H93 | 171.9° | 127.7° |
| H90 | C70 | C72 | H94 | 68.7° | 112.3° |
| H90 | C70 | C71 | C47 | 16.4° | 24.8° |
| H91 | C70 | C71 | H92 | 44.8° | 84.8° |
| H91 | C70 | C72 | C69 | 170.4° | 127.6° |
| H91 | C70 | C72 | H93 | 69.3° | 112.4° |
| H91 | C70 | C72 | H94 | 50.1° | 7.6° |
| H91 | C70 | C71 | C47 | 135.2° | 95.2° |
| C70 | C71 | H92 | C47 | 180.0° | 180.0° |
| C71 | C70 | C72 | C69 | 69.0° | 112.3° |
| C71 | C70 | C72 | H93 | 51.3° | 7.7° |
| C71 | C70 | C72 | H94 | 170.7° | 127.7° |
| C69 | C72 | H93 | H94 | 119.1° | 120.0° |
| C72 | C69 | C68 | C73 | 63.5° | 113.1° |
| C68 | C73 | H95 | H96 | 120.0° | 120.0° |
| C68 | C73 | H95 | H97 | 120.0° | 120.1° |
| C68 | C73 | H96 | H97 | 120.0° | 120.0° |
| C73 | C68 | N16 | C57 | 50.3° | 110.1° |
| C73 | C68 | C67 | N17 | 168.9° | 2.4° |
| H95 | C73 | H96 | H97 | 120.0° | 120.0° |
| C74 | N17 | H98 | C67 | 180.0° | 180.0° |
| N17 | C74 | C75 | C76 | 121.8° | 120.0° |
| N17 | C74 | C75 | H99 | 119.7° | 120.0° |
| N17 | C74 | C76 | H99 | 115.7° | 119.9° |
| N17 | C74 | C75 | O17 | 133.4° | 0.0° |
| N17 | C74 | C76 | C77 | 64.8° | 55.4° |
| N17 | C74 | C76 | C78 | 171.9° | 64.6° |
| N17 | C74 | C76 | H100 | 55.2° | 175.4° |
| N17 | C74 | C75 | N18 | 48.0° | 180.0° |
| H98 | N17 | C74 | C75 | 114.3° | 51.7° |
| H98 | N17 | C74 | C76 | 11.5° | 68.3° |
| H98 | N17 | C74 | H99 | 126.5° | 171.8° |
| C75 | C74 | C76 | H99 | 118.6° | 120.1° |
| C74 | C75 | O17 | N18 | 178.6° | 180.0° |
| C75 | C74 | C76 | C77 | 169.5° | 64.6° |
| C75 | C74 | C76 | C78 | 46.2° | 175.4° |
| C75 | C74 | C76 | H100 | 70.6° | 55.4° |
| C74 | C75 | N18 | C80 | 178.6° | 180.0° |
| C74 | C75 | N18 | H109 | 1.4° | 0.0° |
| C75 | C74 | N17 | C67 | 65.7° | 128.2° |
| C76 | C74 | C75 | O17 | 104.8° | 120.0° |
| C74 | C76 | C77 | C78 | 123.1° | 120.0° |
| C74 | C76 | C77 | H100 | 119.0° | 120.0° |
| C74 | C76 | C78 | H100 | 116.2° | 120.0° |
| C74 | C76 | C77 | C79 | 149.3° | 174.5° |
| C74 | C76 | C77 | H101 | 89.9° | 65.5° |
| C74 | C76 | C77 | H102 | 28.5° | 54.5° |
| C74 | C76 | C78 | H103 | 180.0° | 169.8° |
| C74 | C76 | C78 | H104 | 60.0° | 49.8° |
| C74 | C76 | C78 | H105 | 60.0° | 70.2° |
| C76 | C74 | N17 | C67 | 168.5° | 111.8° |
| C76 | C74 | C75 | N18 | 73.8° | 60.0° |
| H99 | C74 | C75 | O17 | 13.7° | 120.0° |
| H99 | C74 | C76 | C77 | 50.9° | 175.3° |
| H99 | C74 | C76 | C78 | 72.4° | 55.3° |
| H99 | C74 | C76 | H100 | 170.8° | 64.7° |
| H99 | C74 | N17 | C67 | 53.5° | 8.2° |
| H99 | C74 | C75 | N18 | 167.7° | 60.0° |
| O17 | C75 | N18 | C80 | 0.0° | 0.0° |
| O17 | C75 | N18 | H109 | 180.0° | 180.0° |
| C77 | C76 | C78 | H100 | 118.3° | 120.0° |
| C76 | C77 | C79 | H101 | 120.8° | 120.0° |
| C76 | C77 | C79 | H102 | 120.8° | 120.0° |
| C76 | C77 | H101 | H102 | 117.5° | 120.0° |
| C77 | C76 | C78 | H103 | 54.5° | 70.2° |
| C77 | C76 | C78 | H104 | 174.5° | 169.8° |
| C77 | C76 | C78 | H105 | 65.5° | 49.8° |
| C76 | C77 | C79 | H106 | 180.0° | 174.9° |
| C76 | C77 | C79 | H107 | 60.0° | 54.9° |
| C76 | C77 | C79 | H108 | 60.0° | 65.1° |
| C78 | C76 | C77 | C79 | 87.5° | 65.5° |
| C78 | C76 | C77 | H101 | 33.3° | 54.5° |
| C78 | C76 | C77 | H102 | 151.7° | 174.5° |
| C76 | C78 | H103 | H104 | 120.0° | 120.1° |
| C76 | C78 | H103 | H105 | 120.0° | 120.0° |
| C76 | C78 | H104 | H105 | 120.0° | 120.0° |
| H100 | C76 | C77 | C79 | 30.3° | 54.5° |
| H100 | C76 | C77 | H101 | 151.1° | 174.5° |
| H100 | C76 | C77 | H102 | 90.5° | 65.4° |
| H100 | C76 | C78 | H103 | 63.8° | 49.9° |
| H100 | C76 | C78 | H104 | 56.2° | 70.2° |
| H100 | C76 | C78 | H105 | 176.2° | 169.8° |
| C79 | C77 | H101 | H102 | 117.5° | 120.0° |
| C77 | C79 | H106 | H107 | 120.0° | 120.0° |
| C77 | C79 | H106 | H108 | 120.0° | 120.0° |
| C77 | C79 | H107 | H108 | 120.0° | 120.0° |
| H101 | C77 | C79 | H106 | 59.2° | 65.1° |
| H101 | C77 | C79 | H107 | 179.2° | 174.9° |
| H101 | C77 | C79 | H108 | 60.8° | 54.9° |
| H102 | C77 | C79 | H106 | 59.2° | 54.9° |
| H102 | C77 | C79 | H107 | 60.8° | 65.0° |
| H102 | C77 | C79 | H108 | 179.2° | 174.9° |
| H103 | C78 | H104 | H105 | 120.0° | 119.9° |
| H106 | C79 | H107 | H108 | 120.0° | 120.0° |
| N18 | C80 | C82 | C81 | 119.3° | 120.0° |
| N18 | C80 | C82 | H110 | 115.4° | 119.9° |
| N18 | C80 | C81 | H110 | 118.0° | 119.9° |
| N18 | C80 | C82 | C83 | 175.0° | 65.0° |
| N18 | C80 | C81 | O18 | 145.5° | 0.0° |
| C80 | N18 | H109 | C75 | 180.0° | 180.0° |
| N18 | C80 | C82 | H111 | 53.4° | 55.0° |
| N18 | C80 | C82 | H112 | 63.4° | 175.1° |
| N18 | C80 | C81 | N22 | 32.7° | 180.0° |
| C82 | C80 | C81 | H110 | 125.3° | 120.0° |
| C80 | C82 | C83 | H111 | 121.6° | 120.0° |
| C80 | C82 | C83 | H112 | 121.6° | 120.0° |
| C80 | C82 | C83 | N19 | 124.1° | 180.0° |
| C82 | C80 | C81 | O18 | 97.8° | 120.0° |
| C82 | C80 | N18 | H109 | 5.6° | 95.0° |
| C80 | C82 | H111 | H112 | 114.9° | 120.0° |
| C80 | C82 | C83 | H113 | 114.0° | 60.0° |
| C80 | C82 | C83 | H114 | 2.0° | 60.0° |
| C82 | C80 | N18 | C75 | 174.5° | 85.0° |
| C82 | C80 | C81 | N22 | 84.0° | 60.0° |
| C81 | C80 | C82 | C83 | 65.7° | 175.0° |
| C80 | C81 | O18 | N22 | 178.3° | 180.0° |
| C81 | C80 | N18 | H109 | 122.2° | 25.0° |
| C81 | C80 | C82 | H111 | 172.7° | 65.0° |
| C81 | C80 | C82 | H112 | 55.9° | 55.0° |
| C80 | C81 | N22 | C89 | 179.8° | 180.0° |
| C80 | C81 | N22 | H126 | 0.2° | 0.0° |
| C81 | C80 | N18 | C75 | 57.8° | 155.0° |
| C82 | C83 | N19 | H113 | 122.0° | 120.0° |
| C82 | C83 | N19 | H114 | 122.0° | 120.0° |
| C82 | C83 | N19 | C84 | 140.6° | 180.0° |
| C83 | C82 | C80 | H110 | 59.6° | 55.0° |
| C83 | C82 | H111 | H112 | 114.8° | 120.0° |
| C82 | C83 | H113 | H114 | 113.4° | 120.0° |
| C82 | C83 | N19 | H115 | 39.4° | 0.1° |
| C83 | N19 | C84 | H115 | 180.0° | 179.9° |
| C83 | N19 | C84 | C85 | 178.8° | 180.0° |
| C83 | N19 | C84 | O20 | 0.4° | 0.1° |
| N19 | C83 | C82 | H111 | 2.4° | 60.0° |
| N19 | C83 | C82 | H112 | 114.4° | 60.0° |
| N19 | C83 | H113 | H114 | 113.4° | 120.0° |
| N19 | C84 | C85 | O20 | 179.2° | 179.9° |
| N19 | C84 | C85 | N20 | 154.7° | 180.0° |
| C84 | N19 | C83 | H113 | 18.6° | 60.0° |
| C84 | N19 | C83 | H114 | 97.4° | 60.0° |
| N19 | C84 | C85 | H116 | 34.2° | 60.1° |
| N19 | C84 | C85 | H117 | 84.8° | 59.9° |
| O18 | C81 | C80 | H110 | 27.5° | 120.0° |
| O18 | C81 | N22 | C89 | 1.6° | 0.0° |
| O18 | C81 | N22 | H126 | 178.4° | 180.0° |
| N21 | C87 | C88 | C86 | 127.5° | 120.0° |
| N21 | C87 | C88 | H119 | 115.8° | 120.1° |
| N21 | C87 | C88 | O21 | 158.0° | 65.0° |
| N21 | C87 | C86 | H119 | 118.9° | 120.0° |
| N21 | C87 | C86 | N20 | 40.0° | 160.0° |
| N21 | C87 | C86 | O19 | 141.7° | 20.0° |
| N21 | C87 | C88 | H120 | 36.7° | 55.0° |
| N21 | C87 | C88 | H121 | 80.7° | 175.0° |
| C87 | N21 | H122 | H123 | 120.0° | 123.9° |
| C87 | C88 | O21 | H120 | 121.3° | 120.0° |
| C87 | C88 | O21 | H121 | 121.3° | 120.0° |
| C88 | C87 | C86 | H119 | 116.7° | 120.0° |
| C87 | C88 | O21 | P1 | 86.5° | 180.0° |
| C88 | C87 | C86 | N20 | 84.4° | 80.0° |
| C88 | C87 | C86 | O19 | 93.9° | 100.0° |
| C87 | C88 | H120 | H121 | 115.8° | 120.0° |
| C88 | C87 | N21 | H122 | 180.0° | 60.0° |
| C88 | C87 | N21 | H123 | 60.0° | 64.0° |
| O21 | C88 | C87 | C86 | 74.5° | 175.0° |
| C88 | O21 | P1 | O22 | 114.3° | 55.0° |
| C88 | O21 | P1 | O23 | 5.3° | 65.0° |
| C88 | O21 | P1 | O24 | 126.4° | 175.0° |
| O21 | C88 | C87 | H119 | 42.2° | 55.1° |
| O21 | C88 | H120 | H121 | 115.8° | 120.0° |
| C84 | C85 | N20 | H116 | 120.5° | 120.0° |
| C84 | C85 | N20 | H117 | 120.5° | 120.1° |
| C84 | C85 | N20 | C86 | 151.0° | 180.0° |
| C85 | C84 | N19 | H115 | 1.2° | 0.1° |
| C84 | C85 | H116 | H117 | 118.6° | 120.0° |
| C84 | C85 | N20 | H118 | 29.0° | 0.0° |
| N20 | C85 | C84 | O20 | 24.5° | 0.0° |
| C85 | N20 | C86 | C87 | 2.2° | 180.0° |
| C85 | N20 | C86 | H118 | 180.0° | 180.0° |
| C85 | N20 | C86 | O19 | 179.5° | 0.0° |
| N20 | C85 | H116 | H117 | 118.6° | 120.0° |
| O20 | C84 | N19 | H115 | 179.6° | 180.0° |
| O20 | C84 | C85 | H116 | 145.0° | 120.0° |
| O20 | C84 | C85 | H117 | 96.0° | 120.0° |
| C87 | C86 | N20 | O19 | 178.3° | 180.0° |
| C87 | C86 | N20 | H118 | 177.8° | 0.0° |
| C86 | C87 | C88 | H120 | 164.2° | 65.0° |
| C86 | C87 | C88 | H121 | 46.8° | 55.0° |
| C86 | C87 | N21 | H122 | 54.0° | 60.0° |
| C86 | C87 | N21 | H123 | 66.0° | 176.1° |
| O21 | P1 | O22 | O23 | 121.4° | 120.0° |
| O21 | P1 | O22 | O24 | 119.9° | 120.0° |
| O21 | P1 | O23 | O24 | 121.6° | 120.0° |
| P1 | O21 | C88 | H120 | 152.2° | 60.0° |
| P1 | O21 | C88 | H121 | 34.8° | 60.0° |
| O21 | P1 | O23 | H124 | 119.8° | 60.0° |
| O21 | P1 | O24 | H125 | 119.1° | 180.0° |
| C86 | N20 | C85 | H116 | 30.5° | 60.0° |
| C86 | N20 | C85 | H117 | 88.5° | 60.0° |
| N20 | C86 | C87 | H119 | 158.9° | 40.0° |
| O22 | P1 | O23 | O24 | 118.6° | 120.0° |
| O22 | P1 | O23 | H124 | 0.0° | 180.0° |
| O22 | P1 | O24 | H125 | 0.0° | 60.0° |
| O19 | C86 | N20 | H118 | 0.5° | 180.0° |
| O19 | C86 | C87 | H119 | 22.8° | 140.0° |
| O23 | P1 | O24 | H125 | 118.3° | 60.0° |
| O24 | P1 | O23 | H124 | 118.6° | 60.0° |
| H109 | N18 | C80 | H110 | 120.4° | 145.0° |
| H110 | C80 | C82 | H111 | 62.0° | 174.9° |
| H110 | C80 | C82 | H112 | 178.8° | 65.0° |
| H110 | C80 | N18 | C75 | 59.7° | 35.0° |
| H110 | C80 | C81 | N22 | 150.7° | 60.1° |
| H111 | C82 | C83 | H113 | 124.4° | 180.0° |
| H111 | C82 | C83 | H114 | 119.6° | 60.0° |
| H112 | C82 | C83 | H113 | 7.6° | 60.0° |
| H112 | C82 | C83 | H114 | 123.6° | 180.0° |
| H113 | C83 | N19 | H115 | 161.4° | 120.1° |
| H114 | C83 | N19 | H115 | 82.6° | 120.0° |
| H116 | C85 | N20 | H118 | 149.4° | 120.0° |
| H117 | C85 | N20 | H118 | 91.5° | 120.0° |
| H119 | C87 | C88 | H120 | 79.1° | 175.0° |
| H119 | C87 | C88 | H121 | 163.5° | 65.0° |
| H119 | C87 | N21 | H122 | 64.6° | 180.0° |
| H119 | C87 | N21 | H123 | 175.4° | 56.1° |
| C89 | N22 | H126 | C81 | 180.0° | 180.0° |
| N22 | C89 | C90 | C91 | 125.2° | 120.0° |
| N22 | C89 | C90 | H127 | 119.1° | 120.0° |
| N22 | C89 | C91 | H127 | 121.2° | 119.9° |
| N22 | C89 | C90 | O25 | 149.8° | 0.1° |
| N22 | C89 | C91 | C92 | 130.1° | 65.0° |
| N22 | C89 | C91 | H128 | 8.6° | 55.0° |
| N22 | C89 | C91 | H129 | 108.4° | 175.1° |
| N22 | C89 | C90 | N24 | 29.8° | 180.0° |
| H126 | N22 | C89 | C90 | 105.6° | 25.0° |
| H126 | N22 | C89 | C91 | 15.1° | 95.0° |
| H126 | N22 | C89 | H127 | 135.9° | 145.1° |
| C90 | C89 | C91 | H127 | 115.6° | 120.0° |
| C89 | C90 | O25 | N24 | 179.7° | 179.9° |
| C90 | C89 | C91 | C92 | 106.7° | 175.0° |
| C90 | C89 | C91 | H128 | 131.8° | 65.0° |
| C90 | C89 | C91 | H129 | 14.8° | 55.0° |
| C89 | C90 | N24 | C95 | 179.7° | 180.0° |
| C89 | C90 | N24 | H139 | 0.2° | 0.0° |
| C90 | C89 | N22 | C81 | 74.4° | 155.0° |
| C91 | C89 | C90 | O25 | 85.0° | 119.9° |
| C89 | C91 | C92 | H128 | 121.5° | 120.0° |
| C89 | C91 | C92 | H129 | 121.5° | 120.0° |
| C89 | C91 | H128 | H129 | 115.0° | 120.0° |
| C89 | C91 | C92 | C93 | 74.9° | 180.0° |
| C89 | C91 | C92 | H130 | 163.4° | 60.0° |
| C89 | C91 | C92 | H131 | 46.7° | 60.0° |
| C91 | C89 | N22 | C81 | 164.8° | 85.0° |
| C91 | C89 | C90 | N24 | 95.4° | 60.0° |
| H127 | C89 | C90 | O25 | 30.7° | 120.1° |
| H127 | C89 | C91 | C92 | 8.9° | 54.9° |
| H127 | C89 | C91 | H128 | 112.6° | 174.9° |
| H127 | C89 | C91 | H129 | 130.4° | 65.0° |
| H127 | C89 | N22 | C81 | 44.1° | 34.9° |
| H127 | C89 | C90 | N24 | 149.0° | 60.0° |
| O25 | C90 | N24 | C95 | 0.6° | 0.0° |
| O25 | C90 | N24 | H139 | 179.4° | 179.9° |
| C92 | C91 | H128 | H129 | 115.0° | 120.0° |
| C91 | C92 | C93 | H130 | 121.7° | 120.0° |
| C91 | C92 | C93 | H131 | 121.7° | 120.0° |
| C91 | C92 | H130 | H131 | 114.7° | 120.0° |
| C91 | C92 | C93 | C94 | 161.0° | 180.0° |
| C91 | C92 | C93 | H132 | 39.9° | 60.0° |
| C91 | C92 | C93 | H133 | 77.9° | 60.0° |
| H128 | C91 | C92 | C93 | 46.6° | 60.0° |
| H128 | C91 | C92 | H130 | 75.0° | 180.0° |
| H128 | C91 | C92 | H131 | 168.3° | 60.0° |
| H129 | C91 | C92 | C93 | 163.5° | 60.0° |
| H129 | C91 | C92 | H130 | 41.9° | 60.0° |
| H129 | C91 | C92 | H131 | 74.8° | 180.0° |
| C93 | C92 | H130 | H131 | 114.6° | 120.0° |
| C92 | C93 | C94 | H132 | 121.1° | 120.0° |
| C92 | C93 | C94 | H133 | 121.1° | 120.1° |
| C92 | C93 | H132 | H133 | 116.7° | 120.1° |
| C92 | C93 | C94 | N23 | 127.5° | 180.0° |
| C92 | C93 | C94 | H134 | 111.1° | 60.0° |
| C92 | C93 | C94 | H135 | 6.1° | 59.9° |
| H130 | C92 | C93 | C94 | 77.3° | 60.0° |
| H130 | C92 | C93 | H132 | 161.6° | 180.0° |
| H130 | C92 | C93 | H133 | 43.7° | 60.0° |
| H131 | C92 | C93 | C94 | 39.3° | 60.0° |
| H131 | C92 | C93 | H132 | 81.7° | 60.0° |
| H131 | C92 | C93 | H133 | 160.4° | 180.0° |
| C94 | C93 | H132 | H133 | 116.6° | 119.9° |
| C93 | C94 | N23 | H134 | 121.4° | 120.0° |
| C93 | C94 | N23 | H135 | 121.4° | 120.1° |
| C93 | C94 | H134 | H135 | 115.6° | 120.0° |
| C93 | C94 | N23 | H136 | 180.0° | 180.0° |
| C93 | C94 | N23 | H137 | 60.0° | 60.0° |
| C93 | C94 | N23 | H138 | 60.0° | 60.0° |
| H132 | C93 | C94 | N23 | 6.4° | 60.0° |
| H132 | C93 | C94 | H134 | 127.8° | 180.0° |
| H132 | C93 | C94 | H135 | 115.0° | 60.1° |
| H133 | C93 | C94 | N23 | 111.4° | 59.9° |
| H133 | C93 | C94 | H134 | 10.0° | 60.1° |
| H133 | C93 | C94 | H135 | 127.2° | 180.0° |
| N23 | C94 | H134 | H135 | 115.7° | 120.0° |
| C94 | N23 | H136 | H137 | 120.0° | 119.9° |
| C94 | N23 | H136 | H138 | 120.0° | 120.0° |
| C94 | N23 | H137 | H138 | 120.0° | 120.0° |
| H134 | C94 | N23 | H136 | 58.6° | 60.0° |
| H134 | C94 | N23 | H137 | 178.6° | 180.0° |
| H134 | C94 | N23 | H138 | 61.4° | 60.0° |
| H135 | C94 | N23 | H136 | 58.7° | 59.9° |
| H135 | C94 | N23 | H137 | 61.3° | 60.0° |
| H135 | C94 | N23 | H138 | 178.6° | 180.0° |
| H136 | N23 | H137 | H138 | 120.0° | 120.1° |
| C95 | N24 | H139 | C90 | 180.0° | 180.0° |
| N24 | C95 | C96 | C97 | 125.7° | 120.0° |
| N24 | C95 | C96 | H140 | 116.4° | 120.0° |
| N24 | C95 | C97 | H140 | 124.1° | 120.0° |
| N24 | C95 | C96 | O26 | 172.9° | 0.0° |
| N24 | C95 | C97 | C98 | 30.9° | 65.0° |
| N24 | C95 | C97 | H141 | 90.6° | 55.0° |
| N24 | C95 | C97 | H142 | 152.4° | 175.0° |
| N24 | C95 | C96 | N26 | 6.6° | 180.0° |
| H139 | N24 | C95 | C96 | 96.7° | 25.0° |
| H139 | N24 | C95 | C97 | 24.0° | 95.0° |
| H139 | N24 | C95 | H140 | 147.7° | 144.9° |
| C96 | C95 | C97 | H140 | 117.7° | 120.0° |
| C95 | C96 | O26 | N26 | 179.4° | 180.0° |
| C96 | C95 | C97 | C98 | 149.1° | 175.0° |
| C96 | C95 | C97 | H141 | 27.7° | 65.0° |
| C96 | C95 | C97 | H142 | 89.4° | 55.0° |
| C95 | C96 | N26 | C101 | 179.4° | 180.0° |
| C95 | C96 | N26 | H152 | 0.6° | 0.0° |
| C96 | C95 | N24 | C90 | 83.3° | 155.0° |
| C97 | C95 | C96 | O26 | 61.4° | 120.0° |
| C95 | C97 | C98 | H141 | 121.5° | 120.0° |
| C95 | C97 | C98 | H142 | 121.5° | 120.0° |
| C95 | C97 | H141 | H142 | 115.2° | 120.0° |
| C95 | C97 | C98 | C99 | 124.0° | 180.0° |
| C95 | C97 | C98 | H143 | 2.9° | 60.0° |
| C95 | C97 | C98 | H144 | 114.9° | 60.0° |
| C97 | C95 | N24 | C90 | 156.0° | 85.0° |
| C97 | C95 | C96 | N26 | 119.1° | 60.0° |
| H140 | C95 | C96 | O26 | 56.5° | 120.0° |
| H140 | C95 | C97 | C98 | 93.2° | 55.0° |
| H140 | C95 | C97 | H141 | 145.3° | 175.0° |
| H140 | C95 | C97 | H142 | 28.3° | 65.0° |
| H140 | C95 | N24 | C90 | 32.3° | 35.0° |
| H140 | C95 | C96 | N26 | 122.9° | 60.0° |
| O26 | C96 | N26 | C101 | 1.1° | 0.0° |
| O26 | C96 | N26 | H152 | 178.8° | 180.0° |
| C98 | C97 | H141 | H142 | 115.2° | 120.0° |
| C97 | C98 | C99 | H143 | 121.1° | 120.0° |
| C97 | C98 | C99 | H144 | 121.1° | 120.0° |
| C97 | C98 | H143 | H144 | 116.4° | 120.0° |
| C97 | C98 | C99 | C100 | 108.0° | 180.0° |
| C97 | C98 | C99 | H145 | 130.8° | 60.0° |
| C97 | C98 | C99 | H146 | 13.3° | 60.0° |
| H141 | C97 | C98 | C99 | 114.5° | 60.0° |
| H141 | C97 | C98 | H143 | 124.4° | 180.0° |
| H141 | C97 | C98 | H144 | 6.6° | 60.0° |
| H142 | C97 | C98 | C99 | 2.5° | 60.0° |
| H142 | C97 | C98 | H143 | 118.6° | 60.0° |
| H142 | C97 | C98 | H144 | 123.6° | 180.0° |
| C99 | C98 | H143 | H144 | 116.4° | 120.0° |
| C98 | C99 | C100 | H145 | 121.2° | 120.0° |
| C98 | C99 | C100 | H146 | 121.3° | 120.0° |
| C98 | C99 | H145 | H146 | 116.0° | 120.0° |
| C98 | C99 | C100 | N25 | 92.4° | 180.0° |
| C98 | C99 | C100 | H147 | 146.5° | 60.0° |
| C98 | C99 | C100 | H148 | 28.6° | 60.0° |
| H143 | C98 | C99 | C100 | 13.1° | 60.0° |
| H143 | C98 | C99 | H145 | 108.1° | 179.9° |
| H143 | C98 | C99 | H146 | 134.4° | 60.0° |
| H144 | C98 | C99 | C100 | 130.9° | 60.0° |
| H144 | C98 | C99 | H145 | 9.6° | 60.0° |
| H144 | C98 | C99 | H146 | 107.8° | 180.0° |
| C100 | C99 | H145 | H146 | 116.0° | 120.0° |
| C99 | C100 | N25 | H147 | 121.1° | 120.0° |
| C99 | C100 | N25 | H148 | 121.0° | 120.0° |
| C99 | C100 | H147 | H148 | 116.7° | 120.0° |
| C99 | C100 | N25 | H149 | 180.0° | 60.0° |
| C99 | C100 | N25 | H150 | 60.0° | 60.0° |
| C99 | C100 | N25 | H151 | 60.0° | 180.0° |
| H145 | C99 | C100 | N25 | 28.8° | 60.0° |
| H145 | C99 | C100 | H147 | 92.2° | 180.0° |
| H145 | C99 | C100 | H148 | 149.9° | 60.0° |
| H146 | C99 | C100 | N25 | 146.3° | 60.0° |
| H146 | C99 | C100 | H147 | 25.3° | 60.0° |
| H146 | C99 | C100 | H148 | 92.6° | 180.0° |
| N25 | C100 | H147 | H148 | 116.7° | 120.1° |
| C100 | N25 | H149 | H150 | 120.0° | 120.0° |
| C100 | N25 | H149 | H151 | 120.0° | 120.0° |
| C100 | N25 | H150 | H151 | 120.0° | 120.0° |
| H147 | C100 | N25 | H149 | 58.9° | 180.0° |
| H147 | C100 | N25 | H150 | 179.0° | 59.9° |
| H147 | C100 | N25 | H151 | 61.1° | 60.0° |
| H148 | C100 | N25 | H149 | 59.0° | 60.0° |
| H148 | C100 | N25 | H150 | 61.1° | 180.0° |
| H148 | C100 | N25 | H151 | 179.0° | 60.0° |
| H149 | N25 | H150 | H151 | 120.0° | 120.0° |
| C101 | N26 | H152 | C96 | 180.0° | 180.0° |
| N26 | C101 | C102 | C103 | 130.1° | 120.0° |
| N26 | C101 | C102 | H153 | 115.4° | 120.0° |
| N26 | C101 | C103 | H153 | 116.6° | 120.0° |
| N26 | C101 | C102 | O27 | 67.7° | 0.0° |
| N26 | C101 | C102 | O28 | 110.9° | 180.0° |
| N26 | C101 | C103 | C104 | 43.9° | 65.0° |
| N26 | C101 | C103 | H154 | 77.7° | 55.0° |
| N26 | C101 | C103 | H155 | 165.4° | 175.0° |
| H152 | N26 | C101 | C102 | 95.0° | 95.0° |
| H152 | N26 | C101 | C103 | 136.1° | 25.0° |
| H152 | N26 | C101 | H153 | 20.0° | 145.1° |
| C102 | C101 | C103 | H153 | 114.6° | 120.0° |
| C101 | C102 | O27 | O28 | 178.6° | 180.0° |
| C102 | C101 | C103 | C104 | 172.6° | 175.0° |
| C102 | C101 | C103 | H154 | 51.1° | 65.0° |
| C102 | C101 | C103 | H155 | 65.8° | 55.0° |
| C101 | C102 | O28 | H165 | 178.6° | 180.0° |
| C102 | C101 | N26 | C96 | 85.1° | 85.0° |
| C103 | C101 | C102 | O27 | 62.5° | 120.0° |
| C103 | C101 | C102 | O28 | 119.0° | 60.0° |
| C101 | C103 | C104 | H154 | 121.5° | 120.0° |
| C101 | C103 | C104 | H155 | 121.5° | 120.0° |
| C101 | C103 | H154 | H155 | 115.1° | 120.0° |
| C101 | C103 | C104 | C105 | 147.0° | 180.0° |
| C101 | C103 | C104 | H156 | 91.8° | 60.0° |
| C101 | C103 | C104 | H157 | 25.8° | 60.0° |
| C103 | C101 | N26 | C96 | 43.8° | 155.0° |
| H153 | C101 | C102 | O27 | 177.0° | 120.0° |
| H153 | C101 | C102 | O28 | 4.5° | 60.0° |
| H153 | C101 | C103 | C104 | 72.8° | 55.0° |
| H153 | C101 | C103 | H154 | 165.7° | 175.0° |
| H153 | C101 | C103 | H155 | 48.8° | 65.0° |
| H153 | C101 | N26 | C96 | 160.0° | 35.0° |
| O27 | C102 | O28 | H165 | 0.0° | 0.0° |
| C104 | C103 | H154 | H155 | 115.1° | 120.1° |
| C103 | C104 | C105 | H156 | 121.2° | 119.9° |
| C103 | C104 | C105 | H157 | 121.2° | 120.0° |
| C103 | C104 | H156 | H157 | 116.1° | 120.0° |
| C103 | C104 | C105 | C106 | 100.5° | 180.0° |
| C103 | C104 | C105 | H158 | 138.1° | 60.0° |
| C103 | C104 | C105 | H159 | 20.8° | 60.0° |
| H154 | C103 | C104 | C105 | 25.5° | 60.0° |
| H154 | C103 | C104 | H156 | 146.7° | 180.0° |
| H154 | C103 | C104 | H157 | 95.7° | 60.0° |
| H155 | C103 | C104 | C105 | 91.5° | 60.0° |
| H155 | C103 | C104 | H156 | 29.8° | 60.0° |
| H155 | C103 | C104 | H157 | 147.3° | 180.0° |
| C105 | C104 | H156 | H157 | 116.2° | 120.0° |
| C104 | C105 | C106 | H158 | 121.3° | 120.1° |
| C104 | C105 | C106 | H159 | 121.3° | 120.0° |
| C104 | C105 | H158 | H159 | 115.8° | 120.0° |
| C104 | C105 | C106 | N27 | 179.1° | 180.0° |
| C104 | C105 | C106 | H160 | 57.7° | 60.0° |
| C104 | C105 | C106 | H161 | 59.6° | 60.0° |
| H156 | C104 | C105 | C106 | 20.7° | 60.0° |
| H156 | C104 | C105 | H158 | 100.7° | 180.0° |
| H156 | C104 | C105 | H159 | 142.0° | 60.0° |
| H157 | C104 | C105 | C106 | 138.3° | 60.0° |
| H157 | C104 | C105 | H158 | 16.9° | 60.0° |
| H157 | C104 | C105 | H159 | 100.4° | 180.0° |
| C106 | C105 | H158 | H159 | 115.8° | 120.0° |
| C105 | C106 | N27 | H160 | 121.4° | 120.0° |
| C105 | C106 | N27 | H161 | 121.3° | 120.0° |
| C105 | C106 | H160 | H161 | 115.7° | 120.0° |
| C105 | C106 | N27 | H162 | 180.0° | 60.0° |
| C105 | C106 | N27 | H163 | 60.0° | 60.0° |
| C105 | C106 | N27 | H164 | 60.0° | 180.0° |
| H158 | C105 | C106 | N27 | 59.5° | 59.9° |
| H158 | C105 | C106 | H160 | 179.1° | 179.9° |
| H158 | C105 | C106 | H161 | 61.8° | 60.1° |
| H159 | C105 | C106 | N27 | 57.8° | 60.0° |
| H159 | C105 | C106 | H160 | 63.6° | 60.0° |
| H159 | C105 | C106 | H161 | 179.1° | 180.0° |
| N27 | C106 | H160 | H161 | 115.7° | 120.0° |
| C106 | N27 | H162 | H163 | 120.0° | 120.0° |
| C106 | N27 | H162 | H164 | 120.0° | 120.0° |
| C106 | N27 | H163 | H164 | 120.0° | 120.0° |
| H160 | C106 | N27 | H162 | 58.6° | 180.0° |
| H160 | C106 | N27 | H163 | 178.6° | 60.0° |
| H160 | C106 | N27 | H164 | 61.4° | 60.0° |
| H161 | C106 | N27 | H162 | 58.7° | 60.0° |
| H161 | C106 | N27 | H163 | 61.3° | 179.9° |
| H161 | C106 | N27 | H164 | 178.7° | 60.0° |
| H162 | N27 | H163 | H164 | 120.0° | 120.0° |
