PRD_000734
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C1 | sing | 1.45Å | 1.45Å | |
N1 | H1 | sing | 1.00Å | 1.00Å | |
C1 | C2 | sing | 1.52Å | 1.52Å | |
C1 | C3 | sing | 1.53Å | 1.53Å | |
C1 | H2 | sing | 1.10Å | 1.10Å | |
C2 | O1 | doub | 1.23Å | 1.23Å | |
C3 | S1 | sing | 1.82Å | 1.82Å | |
C3 | H3 | sing | 1.10Å | 1.10Å | |
C3 | H4 | sing | 1.10Å | 1.10Å | |
N2 | C4 | sing | 1.45Å | 1.45Å | |
N2 | H5 | sing | 1.00Å | 1.00Å | |
C4 | C5 | sing | 1.51Å | 1.51Å | |
C4 | H6 | sing | 1.10Å | 1.10Å | |
C4 | H7 | sing | 1.10Å | 1.10Å | |
C5 | O2 | doub | 1.23Å | 1.23Å | |
N3 | C6 | sing | 1.45Å | 1.45Å | |
N3 | H8 | sing | 1.00Å | 1.00Å | |
C6 | C7 | sing | 1.51Å | 1.51Å | |
C6 | C8 | sing | 1.53Å | 1.53Å | |
C6 | H9 | sing | 1.10Å | 1.10Å | |
C7 | O3 | doub | 1.23Å | 1.23Å | |
C8 | C9 | sing | 1.51Å | 1.51Å | |
C8 | H10 | sing | 1.10Å | 1.10Å | |
C8 | H11 | sing | 1.10Å | 1.10Å | |
C9 | C10 | sing | 1.51Å | 1.51Å | |
C9 | H12 | sing | 1.10Å | 1.10Å | |
C9 | H13 | sing | 1.10Å | 1.10Å | |
C10 | O4 | doub | 1.25Å | 1.25Å | |
C10 | O5 | sing | 1.24Å | 1.24Å | |
O5 | H14 | sing | 0.95Å | 0.95Å | |
N4 | C11 | sing | 1.45Å | 1.45Å | |
N4 | H15 | sing | 1.00Å | 1.00Å | |
C11 | C12 | sing | 1.54Å | 1.54Å | |
C11 | C14 | sing | 1.51Å | 1.51Å | |
C11 | H16 | sing | 1.10Å | 1.10Å | |
C12 | C13 | sing | 1.52Å | 1.52Å | |
C12 | O6 | sing | 1.43Å | 1.43Å | |
C12 | H17 | sing | 1.10Å | 1.10Å | |
C13 | H18 | sing | 1.10Å | 1.10Å | |
C13 | H19 | sing | 1.10Å | 1.10Å | |
C13 | H20 | sing | 1.10Å | 1.10Å | |
O6 | H21 | sing | 0.95Å | 0.95Å | |
C14 | O7 | doub | 1.23Å | 1.23Å | |
N5 | C15 | sing | 1.45Å | 1.45Å | |
N5 | H22 | sing | 1.00Å | 1.00Å | |
C15 | C16 | sing | 1.50Å | 1.50Å | |
C15 | C17 | sing | 1.52Å | 1.52Å | |
C15 | H23 | sing | 1.10Å | 1.10Å | |
C16 | O8 | doub | 1.23Å | 1.23Å | |
C17 | S2 | sing | 1.82Å | 1.82Å | |
C17 | H24 | sing | 1.10Å | 1.10Å | |
C17 | H25 | sing | 1.10Å | 1.10Å | |
N6 | C18 | sing | 1.45Å | 1.45Å | |
N6 | H26 | sing | 1.00Å | 1.00Å | |
C18 | C19 | sing | 1.55Å | 1.55Å | |
C18 | C22 | sing | 1.53Å | 1.53Å | |
C18 | H27 | sing | 1.10Å | 1.10Å | |
C19 | C20 | sing | 1.52Å | 1.52Å | |
C19 | C21 | sing | 1.52Å | 1.52Å | |
C19 | H28 | sing | 1.10Å | 1.10Å | |
C20 | H29 | sing | 1.10Å | 1.10Å | |
C20 | H30 | sing | 1.10Å | 1.10Å | |
C20 | H31 | sing | 1.10Å | 1.10Å | |
C21 | H32 | sing | 1.10Å | 1.10Å | |
C21 | H33 | sing | 1.10Å | 1.10Å | |
C21 | H34 | sing | 1.10Å | 1.10Å | |
C22 | O9 | doub | 1.23Å | 1.23Å | |
N7 | C23 | sing | 1.45Å | 1.45Å | |
N7 | H35 | sing | 1.00Å | 1.00Å | |
C23 | C24 | sing | 1.52Å | 1.52Å | |
C23 | H36 | sing | 1.10Å | 1.10Å | |
C23 | H37 | sing | 1.10Å | 1.10Å | |
C24 | O10 | doub | 1.23Å | 1.23Å | |
N8 | C25 | sing | 1.45Å | 1.45Å | |
N8 | H38 | sing | 1.00Å | 1.00Å | |
C25 | C26 | sing | 1.51Å | 1.51Å | |
C25 | H39 | sing | 1.10Å | 1.10Å | |
C25 | H40 | sing | 1.10Å | 1.10Å | |
C26 | O11 | doub | 1.23Å | 1.23Å | |
N9 | C27 | sing | 1.46Å | 1.46Å | |
N9 | H41 | sing | 1.00Å | 1.00Å | |
C27 | C28 | sing | 1.55Å | 1.55Å | |
C27 | C30 | sing | 1.53Å | 1.53Å | |
C27 | H42 | sing | 1.10Å | 1.10Å | |
C28 | C29 | sing | 1.52Å | 1.52Å | |
C28 | O12 | sing | 1.43Å | 1.43Å | |
C28 | H43 | sing | 1.10Å | 1.10Å | |
C29 | H44 | sing | 1.10Å | 1.10Å | |
C29 | H45 | sing | 1.10Å | 1.10Å | |
C29 | H46 | sing | 1.10Å | 1.10Å | |
O12 | H47 | sing | 0.95Å | 0.95Å | |
C30 | O13 | doub | 1.23Å | 1.23Å | |
N10 | C31 | sing | 1.46Å | 1.46Å | |
N10 | H48 | sing | 1.00Å | 1.00Å | |
C31 | C32 | sing | 1.52Å | 1.52Å | |
C31 | C33 | sing | 1.53Å | 1.53Å | |
C31 | H49 | sing | 1.10Å | 1.10Å | |
C32 | O14 | doub | 1.23Å | 1.23Å | |
C33 | S3 | sing | 1.82Å | 1.82Å | |
C33 | H50 | sing | 1.10Å | 1.10Å | |
C33 | H51 | sing | 1.10Å | 1.10Å | |
N11 | C34 | sing | 1.46Å | 1.46Å | |
N11 | H52 | sing | 1.00Å | 1.00Å | |
C34 | C35 | sing | 1.52Å | 1.52Å | |
C34 | C36 | sing | 1.54Å | 1.54Å | |
C34 | H53 | sing | 1.10Å | 1.10Å | |
C35 | O15 | doub | 1.23Å | 1.23Å | |
C36 | C37 | sing | 1.52Å | 1.52Å | |
C36 | H54 | sing | 1.10Å | 1.10Å | |
C36 | H55 | sing | 1.10Å | 1.10Å | |
C37 | O16 | doub | 1.23Å | 1.23Å | |
C37 | N12 | sing | 1.33Å | 1.33Å | |
N12 | H56 | sing | 1.00Å | 1.00Å | |
N12 | H57 | sing | 1.00Å | 1.00Å | |
N13 | C38 | sing | 1.45Å | 1.45Å | |
N13 | H58 | sing | 1.00Å | 1.00Å | |
C38 | C39 | sing | 1.55Å | 1.55Å | |
C38 | C41 | sing | 1.53Å | 1.53Å | |
C38 | H59 | sing | 1.10Å | 1.10Å | |
C39 | C40 | sing | 1.52Å | 1.52Å | |
C39 | O17 | sing | 1.43Å | 1.43Å | |
C39 | H60 | sing | 1.10Å | 1.10Å | |
C40 | H61 | sing | 1.10Å | 1.10Å | |
C40 | H62 | sing | 1.10Å | 1.10Å | |
C40 | H63 | sing | 1.10Å | 1.10Å | |
O17 | H64 | sing | 0.95Å | 0.95Å | |
C41 | O18 | doub | 1.24Å | 1.24Å | |
N14 | C42 | sing | 1.46Å | 1.46Å | |
N14 | C45 | sing | 1.47Å | 1.47Å | |
C42 | C43 | sing | 1.54Å | 1.54Å | |
C42 | C46 | sing | 1.52Å | 1.52Å | |
C42 | H65 | sing | 1.10Å | 1.10Å | |
C43 | C44 | sing | 1.49Å | 1.49Å | |
C43 | H66 | sing | 1.10Å | 1.10Å | |
C43 | H67 | sing | 1.10Å | 1.10Å | |
C44 | C45 | sing | 1.50Å | 1.50Å | |
C44 | H68 | sing | 1.10Å | 1.10Å | |
C44 | H69 | sing | 1.10Å | 1.10Å | |
C45 | H70 | sing | 1.10Å | 1.10Å | |
C45 | H71 | sing | 1.10Å | 1.10Å | |
C46 | O19 | doub | 1.23Å | 1.23Å | |
N15 | C47 | sing | 1.44Å | 1.44Å | |
N15 | H72 | sing | 1.00Å | 1.00Å | |
C47 | C48 | sing | 1.51Å | 1.51Å | |
C47 | H73 | sing | 1.10Å | 1.10Å | |
C47 | H74 | sing | 1.10Å | 1.10Å | |
C48 | O20 | doub | 1.23Å | 1.23Å | |
N16 | C49 | sing | 1.45Å | 1.45Å | |
N16 | H75 | sing | 1.00Å | 1.00Å | |
C49 | C50 | sing | 1.51Å | 1.51Å | |
C49 | C51 | sing | 1.53Å | 1.53Å | |
C49 | H76 | sing | 1.10Å | 1.10Å | |
C50 | O21 | doub | 1.23Å | 1.23Å | |
C51 | S4 | sing | 1.82Å | 1.82Å | |
C51 | H77 | sing | 1.10Å | 1.10Å | |
C51 | H78 | sing | 1.10Å | 1.10Å | |
N17 | C52 | sing | 1.45Å | 1.45Å | |
N17 | H79 | sing | 1.00Å | 1.00Å | |
C52 | C53 | sing | 1.54Å | 1.54Å | |
C52 | C55 | sing | 1.52Å | 1.52Å | |
C52 | H80 | sing | 1.10Å | 1.10Å | |
C53 | C54 | sing | 1.52Å | 1.52Å | |
C53 | O22 | sing | 1.43Å | 1.43Å | |
C53 | H81 | sing | 1.10Å | 1.10Å | |
C54 | H82 | sing | 1.10Å | 1.10Å | |
C54 | H83 | sing | 1.10Å | 1.10Å | |
C54 | H84 | sing | 1.10Å | 1.10Å | |
O22 | H85 | sing | 0.95Å | 0.95Å | |
C55 | O23 | doub | 1.23Å | 1.23Å | |
N18 | C56 | sing | 1.45Å | 1.45Å | |
N18 | H86 | sing | 1.00Å | 1.00Å | |
C56 | C57 | sing | 1.52Å | 1.52Å | |
C56 | C58 | sing | 1.53Å | 1.53Å | |
C56 | H87 | sing | 1.10Å | 1.10Å | |
C57 | O24 | doub | 1.23Å | 1.23Å | |
C58 | S5 | sing | 1.83Å | 1.83Å | |
C58 | H88 | sing | 1.10Å | 1.10Å | |
C58 | H89 | sing | 1.10Å | 1.10Å | |
N19 | C59 | sing | 1.45Å | 1.45Å | |
N19 | H90 | sing | 1.00Å | 1.00Å | |
C59 | C60 | sing | 1.52Å | 1.52Å | |
C59 | C61 | sing | 1.53Å | 1.53Å | |
C59 | H91 | sing | 1.10Å | 1.10Å | |
C60 | O25 | doub | 1.23Å | 1.23Å | |
C61 | O26 | sing | 1.42Å | 1.42Å | |
C61 | H92 | sing | 1.10Å | 1.10Å | |
C61 | H93 | sing | 1.10Å | 1.10Å | |
O26 | H94 | sing | 0.95Å | 0.95Å | |
N20 | C62 | sing | 1.46Å | 1.46Å | |
N20 | H95 | sing | 1.00Å | 1.00Å | |
C62 | C63 | sing | 1.53Å | 1.53Å | |
C62 | C72 | sing | 1.53Å | 1.53Å | |
C62 | H96 | sing | 1.10Å | 1.10Å | |
C63 | C64 | sing | 1.50Å | 1.50Å | |
C63 | H97 | sing | 1.10Å | 1.10Å | |
C63 | H98 | sing | 1.10Å | 1.10Å | |
C64 | C65 | doub | 1.36Å | 1.36Å | Aromatic |
C64 | C71 | sing | 1.44Å | 1.44Å | Aromatic |
C65 | N21 | sing | 1.37Å | 1.37Å | Aromatic |
C65 | H99 | sing | 1.08Å | 1.08Å | |
N21 | C66 | sing | 1.37Å | 1.37Å | Aromatic |
N21 | H100 | sing | 1.00Å | 1.00Å | |
C66 | C67 | doub | 1.39Å | 1.39Å | Aromatic |
C66 | C71 | sing | 1.41Å | 1.41Å | Aromatic |
C67 | C68 | sing | 1.37Å | 1.37Å | Aromatic |
C67 | H101 | sing | 1.08Å | 1.08Å | |
C68 | C69 | doub | 1.40Å | 1.40Å | Aromatic |
C68 | H102 | sing | 1.08Å | 1.08Å | |
C69 | C70 | sing | 1.38Å | 1.38Å | Aromatic |
C69 | H103 | sing | 1.08Å | 1.08Å | |
C70 | C71 | doub | 1.40Å | 1.40Å | Aromatic |
C70 | H104 | sing | 1.08Å | 1.08Å | |
C72 | O27 | doub | 1.23Å | 1.23Å | |
N22 | C73 | sing | 1.46Å | 1.46Å | |
N22 | C76 | sing | 1.46Å | 1.46Å | |
C73 | C74 | sing | 1.53Å | 1.53Å | |
C73 | C77 | sing | 1.53Å | 1.53Å | |
C73 | H105 | sing | 1.10Å | 1.10Å | |
C74 | C75 | sing | 1.51Å | 1.51Å | |
C74 | H106 | sing | 1.10Å | 1.10Å | |
C74 | H107 | sing | 1.10Å | 1.10Å | |
C75 | C76 | sing | 1.51Å | 1.51Å | |
C75 | H108 | sing | 1.10Å | 1.10Å | |
C75 | H109 | sing | 1.10Å | 1.10Å | |
C76 | H110 | sing | 1.10Å | 1.10Å | |
C76 | H111 | sing | 1.10Å | 1.10Å | |
C77 | O28 | doub | 1.23Å | 1.23Å | |
N23 | C78 | sing | 1.46Å | 1.46Å | |
N23 | H112 | sing | 1.00Å | 1.00Å | |
C78 | C79 | sing | 1.55Å | 1.55Å | |
C78 | C82 | sing | 1.52Å | 1.52Å | |
C78 | H113 | sing | 1.10Å | 1.10Å | |
C79 | C80 | sing | 1.52Å | 1.52Å | |
C79 | C81 | sing | 1.52Å | 1.52Å | |
C79 | H114 | sing | 1.10Å | 1.10Å | |
C80 | H115 | sing | 1.10Å | 1.10Å | |
C80 | H116 | sing | 1.10Å | 1.10Å | |
C80 | H117 | sing | 1.10Å | 1.10Å | |
C81 | H118 | sing | 1.10Å | 1.10Å | |
C81 | H119 | sing | 1.10Å | 1.10Å | |
C81 | H120 | sing | 1.10Å | 1.10Å | |
C82 | O29 | doub | 1.22Å | 1.22Å | |
N24 | C83 | sing | 1.45Å | 1.45Å | |
N24 | H121 | sing | 1.00Å | 1.00Å | |
C83 | C84 | sing | 1.52Å | 1.52Å | |
C83 | C85 | sing | 1.53Å | 1.53Å | |
C83 | H122 | sing | 1.10Å | 1.10Å | |
C84 | O30 | doub | 1.23Å | 1.23Å | |
C85 | S6 | sing | 1.82Å | 1.82Å | |
C85 | H123 | sing | 1.10Å | 1.10Å | |
C85 | H124 | sing | 1.10Å | 1.10Å | |
N25 | C86 | sing | 1.45Å | 1.45Å | |
N25 | H125 | sing | 1.00Å | 1.00Å | |
C86 | C87 | sing | 1.54Å | 1.54Å | |
C86 | C89 | sing | 1.52Å | 1.52Å | |
C86 | H126 | sing | 1.10Å | 1.10Å | |
C87 | C88 | sing | 1.52Å | 1.52Å | |
C87 | O31 | sing | 1.43Å | 1.43Å | |
C87 | H127 | sing | 1.10Å | 1.10Å | |
C88 | H128 | sing | 1.10Å | 1.10Å | |
C88 | H129 | sing | 1.10Å | 1.10Å | |
C88 | H130 | sing | 1.10Å | 1.10Å | |
O31 | H131 | sing | 0.95Å | 0.95Å | |
C89 | O32 | doub | 1.23Å | 1.23Å | |
N26 | C90 | sing | 1.44Å | 1.44Å | |
N26 | H132 | sing | 1.00Å | 1.00Å | |
C90 | C91 | sing | 1.52Å | 1.52Å | |
C90 | C95 | sing | 1.51Å | 1.51Å | |
C90 | H133 | sing | 1.10Å | 1.10Å | |
C91 | C92 | sing | 1.52Å | 1.52Å | |
C91 | H134 | sing | 1.10Å | 1.10Å | |
C91 | H135 | sing | 1.10Å | 1.10Å | |
C92 | C93 | sing | 1.52Å | 1.52Å | |
C92 | H136 | sing | 1.10Å | 1.10Å | |
C92 | H137 | sing | 1.10Å | 1.10Å | |
C93 | N27 | sing | 1.47Å | 1.47Å | |
C93 | H138 | sing | 1.10Å | 1.10Å | |
C93 | H139 | sing | 1.10Å | 1.10Å | |
N27 | C94 | sing | 1.33Å | 1.33Å | |
N27 | H140 | sing | 1.00Å | 1.00Å | |
C94 | N28 | sing | 1.33Å | 1.33Å | |
C94 | N29 | doub | 1.33Å | 1.33Å | |
N28 | H141 | sing | 1.00Å | 1.00Å | |
N28 | H142 | sing | 1.00Å | 1.00Å | |
N29 | H143 | sing | 1.00Å | 1.00Å | |
N29 | H144 | sing | 1.00Å | 1.00Å | |
C95 | O33 | doub | 1.23Å | 1.23Å | |
N30 | C96 | sing | 1.47Å | 1.47Å | |
N30 | H145 | sing | 1.00Å | 1.00Å | |
C96 | C97 | sing | 1.53Å | 1.53Å | |
C96 | C98 | sing | 1.55Å | 1.55Å | |
C96 | H146 | sing | 1.10Å | 1.10Å | |
C97 | O34 | doub | 1.23Å | 1.23Å | |
C98 | C99 | sing | 1.52Å | 1.52Å | |
C98 | H147 | sing | 1.10Å | 1.10Å | |
C98 | H148 | sing | 1.10Å | 1.10Å | |
C99 | O35 | doub | 1.23Å | 1.23Å | |
C99 | N31 | sing | 1.33Å | 1.33Å | |
N31 | H149 | sing | 1.00Å | 1.00Å | |
N31 | H150 | sing | 1.00Å | 1.00Å | |
N32 | C100 | sing | 1.45Å | 1.45Å | |
N32 | H151 | sing | 1.00Å | 1.00Å | |
C100 | C101 | sing | 1.52Å | 1.52Å | |
C100 | H152 | sing | 1.10Å | 1.10Å | |
C100 | H153 | sing | 1.10Å | 1.10Å | |
C101 | O36 | doub | 1.23Å | 1.23Å | |
N33 | C102 | sing | 1.46Å | 1.46Å | |
N33 | H154 | sing | 1.00Å | 1.00Å | |
C102 | C103 | sing | 1.53Å | 1.53Å | |
C102 | C107 | sing | 1.52Å | 1.52Å | |
C102 | H155 | sing | 1.10Å | 1.10Å | |
C103 | C104 | sing | 1.53Å | 1.53Å | |
C103 | H156 | sing | 1.10Å | 1.10Å | |
C103 | H157 | sing | 1.10Å | 1.10Å | |
C104 | C105 | sing | 1.52Å | 1.52Å | |
C104 | C106 | sing | 1.52Å | 1.52Å | |
C104 | H158 | sing | 1.10Å | 1.10Å | |
C105 | H159 | sing | 1.10Å | 1.10Å | |
C105 | H160 | sing | 1.10Å | 1.10Å | |
C105 | H161 | sing | 1.10Å | 1.10Å | |
C106 | H162 | sing | 1.10Å | 1.10Å | |
C106 | H163 | sing | 1.10Å | 1.10Å | |
C106 | H164 | sing | 1.10Å | 1.10Å | |
C107 | O37 | doub | 1.23Å | 1.23Å | |
N34 | C108 | sing | 1.46Å | 1.46Å | |
N34 | C111 | sing | 1.46Å | 1.46Å | |
C108 | C109 | sing | 1.54Å | 1.54Å | |
C108 | C112 | sing | 1.52Å | 1.52Å | |
C108 | H165 | sing | 1.10Å | 1.10Å | |
C109 | C110 | sing | 1.50Å | 1.50Å | |
C109 | H166 | sing | 1.10Å | 1.10Å | |
C109 | H167 | sing | 1.10Å | 1.10Å | |
C110 | C111 | sing | 1.50Å | 1.50Å | |
C110 | H168 | sing | 1.10Å | 1.10Å | |
C110 | H169 | sing | 1.10Å | 1.10Å | |
C111 | H170 | sing | 1.10Å | 1.10Å | |
C111 | H171 | sing | 1.10Å | 1.10Å | |
C112 | O38 | doub | 1.23Å | 1.23Å | |
N35 | C113 | sing | 1.45Å | 1.45Å | |
N35 | H172 | sing | 1.00Å | 1.00Å | |
C113 | C114 | sing | 1.55Å | 1.55Å | |
C113 | C117 | sing | 1.52Å | 1.52Å | |
C113 | H173 | sing | 1.10Å | 1.10Å | |
C114 | C115 | sing | 1.52Å | 1.52Å | |
C114 | C116 | sing | 1.52Å | 1.52Å | |
C114 | H174 | sing | 1.10Å | 1.10Å | |
C115 | H175 | sing | 1.10Å | 1.10Å | |
C115 | H176 | sing | 1.10Å | 1.10Å | |
C115 | H177 | sing | 1.10Å | 1.10Å | |
C116 | H178 | sing | 1.10Å | 1.10Å | |
C116 | H179 | sing | 1.10Å | 1.10Å | |
C116 | H180 | sing | 1.10Å | 1.10Å | |
C117 | O39 | doub | 1.23Å | 1.23Å | |
N1 | C117 | sing | 1.33Å | 1.33Å | |
C2 | N2 | sing | 1.33Å | 1.33Å | |
C5 | N3 | sing | 1.32Å | 1.32Å | |
C7 | N4 | sing | 1.31Å | 1.31Å | |
C14 | N5 | sing | 1.32Å | 1.32Å | |
C16 | N6 | sing | 1.31Å | 1.31Å | |
C22 | N7 | sing | 1.33Å | 1.33Å | |
C24 | N8 | sing | 1.34Å | 1.34Å | |
C26 | N9 | sing | 1.33Å | 1.33Å | |
C30 | N10 | sing | 1.33Å | 1.33Å | |
C32 | N11 | sing | 1.33Å | 1.33Å | |
C35 | N13 | sing | 1.33Å | 1.33Å | |
C41 | N14 | sing | 1.35Å | 1.35Å | |
C46 | N15 | sing | 1.32Å | 1.32Å | |
C48 | N16 | sing | 1.33Å | 1.33Å | |
C50 | N17 | sing | 1.31Å | 1.31Å | |
C55 | N18 | sing | 1.32Å | 1.32Å | |
C57 | N19 | sing | 1.31Å | 1.31Å | |
C60 | N20 | sing | 1.34Å | 1.34Å | |
C72 | N22 | sing | 1.35Å | 1.35Å | |
C77 | N23 | sing | 1.33Å | 1.33Å | |
C82 | N24 | sing | 1.32Å | 1.32Å | |
C84 | N25 | sing | 1.32Å | 1.32Å | |
C89 | N26 | sing | 1.31Å | 1.31Å | |
C95 | N30 | sing | 1.33Å | 1.33Å | |
C97 | N32 | sing | 1.34Å | 1.34Å | |
C101 | N33 | sing | 1.32Å | 1.32Å | |
C107 | N34 | sing | 1.34Å | 1.34Å | |
C112 | N35 | sing | 1.32Å | 1.32Å | |
S1 | S4 | sing | 2.03Å | 2.03Å | |
S2 | S5 | sing | 2.03Å | 2.03Å | |
S3 | S6 | sing | 2.03Å | 2.03Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | N1 | H1 | 119.7° | 119.7° |
N1 | C1 | C2 | 110.4° | 110.4° |
N1 | C1 | C3 | 110.2° | 110.2° |
N1 | C1 | H2 | 109.4° | 109.4° |
C1 | N1 | C117 | 120.6° | 120.6° |
H1 | N1 | C117 | 119.7° | 119.7° |
C2 | C1 | C3 | 109.9° | 109.9° |
C2 | C1 | H2 | 108.5° | 108.5° |
C1 | C2 | O1 | 121.1° | 121.1° |
C1 | C2 | N2 | 116.0° | 116.0° |
C3 | C1 | H2 | 108.4° | 108.4° |
C1 | C3 | S1 | 113.9° | 113.9° |
C1 | C3 | H3 | 108.4° | 108.4° |
C1 | C3 | H4 | 108.3° | 108.3° |
O1 | C2 | N2 | 122.8° | 122.8° |
S1 | C3 | H3 | 108.3° | 108.3° |
S1 | C3 | H4 | 108.4° | 108.4° |
C3 | S1 | S4 | 103.9° | 103.9° |
H3 | C3 | H4 | 109.5° | 109.5° |
C4 | N2 | H5 | 119.6° | 119.6° |
N2 | C4 | C5 | 111.5° | 111.5° |
N2 | C4 | H6 | 109.0° | 109.0° |
N2 | C4 | H7 | 108.9° | 108.9° |
C4 | N2 | C2 | 120.8° | 120.8° |
H5 | N2 | C2 | 119.6° | 119.6° |
C5 | C4 | H6 | 109.0° | 109.0° |
C5 | C4 | H7 | 109.0° | 109.0° |
C4 | C5 | O2 | 121.2° | 121.2° |
C4 | C5 | N3 | 115.4° | 115.4° |
H6 | C4 | H7 | 109.5° | 109.5° |
O2 | C5 | N3 | 123.4° | 123.4° |
C6 | N3 | H8 | 118.8° | 118.8° |
N3 | C6 | C7 | 110.8° | 110.8° |
N3 | C6 | C8 | 110.1° | 110.1° |
N3 | C6 | H9 | 109.8° | 109.8° |
C6 | N3 | C5 | 122.4° | 122.4° |
H8 | N3 | C5 | 118.8° | 118.8° |
C7 | C6 | C8 | 108.5° | 108.5° |
C7 | C6 | H9 | 108.9° | 108.9° |
C6 | C7 | O3 | 121.2° | 121.2° |
C6 | C7 | N4 | 115.5° | 115.5° |
C8 | C6 | H9 | 108.7° | 108.7° |
C6 | C8 | C9 | 113.9° | 113.9° |
C6 | C8 | H10 | 108.4° | 108.4° |
C6 | C8 | H11 | 108.4° | 108.4° |
O3 | C7 | N4 | 123.3° | 123.3° |
C9 | C8 | H10 | 108.3° | 108.3° |
C9 | C8 | H11 | 108.4° | 108.4° |
C8 | C9 | C10 | 112.0° | 112.0° |
C8 | C9 | H12 | 108.8° | 108.8° |
C8 | C9 | H13 | 108.8° | 108.8° |
H10 | C8 | H11 | 109.5° | 109.5° |
C10 | C9 | H12 | 108.8° | 108.8° |
C10 | C9 | H13 | 108.8° | 108.8° |
C9 | C10 | O4 | 118.6° | 118.6° |
C9 | C10 | O5 | 118.8° | 118.8° |
H12 | C9 | H13 | 109.5° | 109.5° |
O4 | C10 | O5 | 122.7° | 122.7° |
C10 | O5 | H14 | 109.5° | 109.5° |
C11 | N4 | H15 | 119.1° | 119.1° |
N4 | C11 | C12 | 112.4° | 112.4° |
N4 | C11 | C14 | 109.7° | 109.7° |
N4 | C11 | H16 | 109.2° | 109.2° |
C11 | N4 | C7 | 121.8° | 121.8° |
H15 | N4 | C7 | 119.1° | 119.1° |
C12 | C11 | C14 | 109.0° | 109.0° |
C12 | C11 | H16 | 108.0° | 108.0° |
C11 | C12 | C13 | 111.3° | 111.3° |
C11 | C12 | O6 | 109.9° | 109.9° |
C11 | C12 | H17 | 108.1° | 108.1° |
C14 | C11 | H16 | 108.3° | 108.3° |
C11 | C14 | O7 | 120.6° | 120.6° |
C11 | C14 | N5 | 116.7° | 116.7° |
C13 | C12 | O6 | 109.5° | 109.5° |
C13 | C12 | H17 | 108.4° | 108.4° |
C12 | C13 | H18 | 109.5° | 109.5° |
C12 | C13 | H19 | 109.5° | 109.5° |
C12 | C13 | H20 | 109.5° | 109.5° |
O6 | C12 | H17 | 109.6° | 109.6° |
C12 | O6 | H21 | 109.5° | 109.5° |
H18 | C13 | H19 | 109.5° | 109.5° |
H18 | C13 | H20 | 109.4° | 109.4° |
H19 | C13 | H20 | 109.5° | 109.5° |
O7 | C14 | N5 | 122.7° | 122.7° |
C15 | N5 | H22 | 119.8° | 119.8° |
N5 | C15 | C16 | 111.1° | 111.1° |
N5 | C15 | C17 | 112.0° | 112.0° |
N5 | C15 | H23 | 108.2° | 108.2° |
C15 | N5 | C14 | 120.5° | 120.5° |
H22 | N5 | C14 | 119.8° | 119.8° |
C16 | C15 | C17 | 110.5° | 110.5° |
C16 | C15 | H23 | 107.6° | 107.6° |
C15 | C16 | O8 | 121.7° | 121.7° |
C15 | C16 | N6 | 114.1° | 114.1° |
C17 | C15 | H23 | 107.3° | 107.3° |
C15 | C17 | S2 | 115.4° | 115.4° |
C15 | C17 | H24 | 108.0° | 108.0° |
C15 | C17 | H25 | 108.0° | 108.0° |
O8 | C16 | N6 | 124.1° | 124.1° |
S2 | C17 | H24 | 108.0° | 108.0° |
S2 | C17 | H25 | 108.0° | 107.9° |
C17 | S2 | S5 | 102.6° | 102.6° |
H24 | C17 | H25 | 109.4° | 109.5° |
C18 | N6 | H26 | 119.0° | 119.0° |
N6 | C18 | C19 | 111.5° | 111.5° |
N6 | C18 | C22 | 108.6° | 108.6° |
N6 | C18 | H27 | 109.7° | 109.7° |
C18 | N6 | C16 | 121.9° | 121.9° |
H26 | N6 | C16 | 119.0° | 119.0° |
C19 | C18 | C22 | 109.7° | 109.7° |
C19 | C18 | H27 | 108.5° | 108.5° |
C18 | C19 | C20 | 110.5° | 110.5° |
C18 | C19 | C21 | 110.9° | 110.9° |
C18 | C19 | H28 | 108.1° | 108.1° |
C22 | C18 | H27 | 108.8° | 108.8° |
C18 | C22 | O9 | 121.6° | 121.6° |
C18 | C22 | N7 | 114.9° | 114.9° |
C20 | C19 | C21 | 110.5° | 110.5° |
C20 | C19 | H28 | 108.4° | 108.4° |
C19 | C20 | H29 | 109.5° | 109.5° |
C19 | C20 | H30 | 109.5° | 109.5° |
C19 | C20 | H31 | 109.5° | 109.5° |
C21 | C19 | H28 | 108.4° | 108.4° |
C19 | C21 | H32 | 109.5° | 109.5° |
C19 | C21 | H33 | 109.5° | 109.5° |
C19 | C21 | H34 | 109.5° | 109.5° |
H29 | C20 | H30 | 109.4° | 109.4° |
H29 | C20 | H31 | 109.4° | 109.4° |
H30 | C20 | H31 | 109.5° | 109.5° |
H32 | C21 | H33 | 109.5° | 109.5° |
H32 | C21 | H34 | 109.5° | 109.5° |
H33 | C21 | H34 | 109.5° | 109.5° |
O9 | C22 | N7 | 123.5° | 123.5° |
C23 | N7 | H35 | 119.3° | 119.3° |
N7 | C23 | C24 | 111.9° | 111.9° |
N7 | C23 | H36 | 108.9° | 108.9° |
N7 | C23 | H37 | 108.9° | 108.9° |
C23 | N7 | C22 | 121.4° | 121.4° |
H35 | N7 | C22 | 119.3° | 119.3° |
C24 | C23 | H36 | 108.9° | 108.9° |
C24 | C23 | H37 | 108.9° | 108.9° |
C23 | C24 | O10 | 120.4° | 120.4° |
C23 | C24 | N8 | 116.7° | 116.7° |
H36 | C23 | H37 | 109.4° | 109.4° |
O10 | C24 | N8 | 122.9° | 122.9° |
C25 | N8 | H38 | 119.6° | 119.6° |
N8 | C25 | C26 | 112.6° | 112.6° |
N8 | C25 | H39 | 108.7° | 108.7° |
N8 | C25 | H40 | 108.7° | 108.7° |
C25 | N8 | C24 | 120.8° | 120.8° |
H38 | N8 | C24 | 119.6° | 119.6° |
C26 | C25 | H39 | 108.7° | 108.7° |
C26 | C25 | H40 | 108.7° | 108.7° |
C25 | C26 | O11 | 120.7° | 120.7° |
C25 | C26 | N9 | 116.6° | 116.6° |
H39 | C25 | H40 | 109.5° | 109.5° |
O11 | C26 | N9 | 122.6° | 122.6° |
C27 | N9 | H41 | 119.4° | 119.4° |
N9 | C27 | C28 | 111.1° | 111.1° |
N9 | C27 | C30 | 111.4° | 111.4° |
N9 | C27 | H42 | 108.9° | 108.9° |
C27 | N9 | C26 | 121.3° | 121.3° |
H41 | N9 | C26 | 119.3° | 119.3° |
C28 | C27 | C30 | 109.6° | 109.6° |
C28 | C27 | H42 | 107.8° | 107.8° |
C27 | C28 | C29 | 111.4° | 111.4° |
C27 | C28 | O12 | 109.8° | 109.8° |
C27 | C28 | H43 | 108.2° | 108.2° |
C30 | C27 | H42 | 108.0° | 108.0° |
C27 | C30 | O13 | 120.6° | 120.6° |
C27 | C30 | N10 | 116.3° | 116.3° |
C29 | C28 | O12 | 109.3° | 109.3° |
C29 | C28 | H43 | 108.5° | 108.5° |
C28 | C29 | H44 | 109.5° | 109.5° |
C28 | C29 | H45 | 109.5° | 109.5° |
C28 | C29 | H46 | 109.5° | 109.5° |
O12 | C28 | H43 | 109.7° | 109.7° |
C28 | O12 | H47 | 109.5° | 109.5° |
H44 | C29 | H45 | 109.4° | 109.4° |
H44 | C29 | H46 | 109.5° | 109.5° |
H45 | C29 | H46 | 109.5° | 109.5° |
O13 | C30 | N10 | 123.1° | 123.1° |
C31 | N10 | H48 | 119.1° | 119.0° |
N10 | C31 | C32 | 110.2° | 110.2° |
N10 | C31 | C33 | 110.0° | 110.0° |
N10 | C31 | H49 | 109.0° | 109.0° |
C31 | N10 | C30 | 121.9° | 121.9° |
H48 | N10 | C30 | 119.0° | 119.1° |
C32 | C31 | C33 | 111.5° | 111.5° |
C32 | C31 | H49 | 108.1° | 108.1° |
C31 | C32 | O14 | 120.0° | 120.0° |
C31 | C32 | N11 | 117.6° | 117.6° |
C33 | C31 | H49 | 108.0° | 108.0° |
C31 | C33 | S3 | 112.8° | 112.8° |
C31 | C33 | H50 | 108.6° | 108.6° |
C31 | C33 | H51 | 108.6° | 108.6° |
O14 | C32 | N11 | 122.3° | 122.3° |
S3 | C33 | H50 | 108.6° | 108.6° |
S3 | C33 | H51 | 108.6° | 108.6° |
C33 | S3 | S6 | 103.6° | 103.6° |
H50 | C33 | H51 | 109.5° | 109.5° |
C34 | N11 | H52 | 119.5° | 119.5° |
N11 | C34 | C35 | 113.4° | 113.4° |
N11 | C34 | C36 | 110.3° | 110.3° |
N11 | C34 | H53 | 108.6° | 108.6° |
C34 | N11 | C32 | 120.9° | 120.9° |
H52 | N11 | C32 | 119.6° | 119.6° |
C35 | C34 | C36 | 108.9° | 108.9° |
C35 | C34 | H53 | 107.8° | 107.8° |
C34 | C35 | O15 | 119.9° | 119.9° |
C34 | C35 | N13 | 118.1° | 118.1° |
C36 | C34 | H53 | 107.7° | 107.7° |
C34 | C36 | C37 | 113.6° | 113.6° |
C34 | C36 | H54 | 108.4° | 108.4° |
C34 | C36 | H55 | 108.4° | 108.4° |
O15 | C35 | N13 | 122.0° | 122.0° |
C37 | C36 | H54 | 108.4° | 108.4° |
C37 | C36 | H55 | 108.4° | 108.4° |
C36 | C37 | O16 | 120.6° | 120.6° |
C36 | C37 | N12 | 117.4° | 117.4° |
H54 | C36 | H55 | 109.5° | 109.5° |
O16 | C37 | N12 | 122.0° | 122.0° |
C37 | N12 | H56 | 120.0° | 120.0° |
C37 | N12 | H57 | 120.0° | 120.0° |
H56 | N12 | H57 | 120.0° | 120.0° |
C38 | N13 | H58 | 120.0° | 120.0° |
N13 | C38 | C39 | 111.2° | 111.2° |
N13 | C38 | C41 | 111.8° | 111.8° |
N13 | C38 | H59 | 108.4° | 108.4° |
C38 | N13 | C35 | 120.0° | 120.0° |
H58 | N13 | C35 | 120.0° | 120.0° |
C39 | C38 | C41 | 110.5° | 110.5° |
C39 | C38 | H59 | 107.3° | 107.3° |
C38 | C39 | C40 | 111.3° | 111.3° |
C38 | C39 | O17 | 110.9° | 110.9° |
C38 | C39 | H60 | 107.7° | 107.7° |
C41 | C38 | H59 | 107.5° | 107.5° |
C38 | C41 | O18 | 121.2° | 121.2° |
C38 | C41 | N14 | 117.0° | 117.0° |
C40 | C39 | O17 | 109.7° | 109.7° |
C40 | C39 | H60 | 108.0° | 108.0° |
C39 | C40 | H61 | 109.5° | 109.5° |
C39 | C40 | H62 | 109.4° | 109.5° |
C39 | C40 | H63 | 109.5° | 109.5° |
O17 | C39 | H60 | 109.2° | 109.2° |
C39 | O17 | H64 | 109.5° | 109.5° |
H61 | C40 | H62 | 109.5° | 109.5° |
H61 | C40 | H63 | 109.5° | 109.5° |
H62 | C40 | H63 | 109.5° | 109.5° |
O18 | C41 | N14 | 121.8° | 121.8° |
C42 | N14 | C45 | 111.7° | 111.7° |
N14 | C42 | C43 | 104.3° | 104.3° |
N14 | C42 | C46 | 111.3° | 111.3° |
N14 | C42 | H65 | 110.8° | 110.8° |
C42 | N14 | C41 | 122.7° | 122.7° |
N14 | C45 | C44 | 102.8° | 102.8° |
N14 | C45 | H70 | 111.1° | 111.1° |
N14 | C45 | H71 | 111.1° | 111.1° |
C45 | N14 | C41 | 125.5° | 125.5° |
C43 | C42 | C46 | 110.7° | 110.7° |
C43 | C42 | H65 | 109.7° | 109.7° |
C42 | C43 | C44 | 105.4° | 105.4° |
C42 | C43 | H66 | 110.5° | 110.5° |
C42 | C43 | H67 | 110.4° | 110.4° |
C46 | C42 | H65 | 109.9° | 109.9° |
C42 | C46 | O19 | 121.2° | 121.2° |
C42 | C46 | N15 | 115.8° | 115.8° |
C44 | C43 | H66 | 110.5° | 110.5° |
C44 | C43 | H67 | 110.5° | 110.5° |
C43 | C44 | C45 | 106.0° | 106.0° |
C43 | C44 | H68 | 110.3° | 110.3° |
C43 | C44 | H69 | 110.3° | 110.3° |
H66 | C43 | H67 | 109.5° | 109.5° |
C45 | C44 | H68 | 110.3° | 110.3° |
C45 | C44 | H69 | 110.4° | 110.3° |
C44 | C45 | H70 | 111.1° | 111.1° |
C44 | C45 | H71 | 111.1° | 111.1° |
H68 | C44 | H69 | 109.5° | 109.5° |
H70 | C45 | H71 | 109.5° | 109.5° |
O19 | C46 | N15 | 123.0° | 123.0° |
C47 | N15 | H72 | 119.7° | 119.7° |
N15 | C47 | C48 | 111.0° | 111.0° |
N15 | C47 | H73 | 109.1° | 109.1° |
N15 | C47 | H74 | 109.1° | 109.1° |
C47 | N15 | C46 | 120.6° | 120.6° |
H72 | N15 | C46 | 119.7° | 119.7° |
C48 | C47 | H73 | 109.1° | 109.1° |
C48 | C47 | H74 | 109.1° | 109.1° |
C47 | C48 | O20 | 120.8° | 120.8° |
C47 | C48 | N16 | 116.1° | 116.1° |
H73 | C47 | H74 | 109.5° | 109.5° |
O20 | C48 | N16 | 123.1° | 123.1° |
C49 | N16 | H75 | 119.5° | 119.5° |
N16 | C49 | C50 | 110.2° | 110.2° |
N16 | C49 | C51 | 111.3° | 111.3° |
N16 | C49 | H76 | 108.9° | 108.9° |
C49 | N16 | C48 | 121.0° | 121.0° |
H75 | N16 | C48 | 119.5° | 119.5° |
C50 | C49 | C51 | 110.4° | 110.4° |
C50 | C49 | H76 | 108.1° | 108.1° |
C49 | C50 | O21 | 121.7° | 121.7° |
C49 | C50 | N17 | 114.7° | 114.7° |
C51 | C49 | H76 | 107.9° | 107.9° |
C49 | C51 | S4 | 113.7° | 113.7° |
C49 | C51 | H77 | 108.4° | 108.4° |
C49 | C51 | H78 | 108.4° | 108.4° |
O21 | C50 | N17 | 123.7° | 123.7° |
S4 | C51 | H77 | 108.4° | 108.4° |
S4 | C51 | H78 | 108.4° | 108.4° |
C51 | S4 | S1 | 104.3° | 104.3° |
H77 | C51 | H78 | 109.5° | 109.5° |
C52 | N17 | H79 | 118.7° | 118.7° |
N17 | C52 | C53 | 111.1° | 111.1° |
N17 | C52 | C55 | 110.0° | 110.0° |
N17 | C52 | H80 | 109.2° | 109.2° |
C52 | N17 | C50 | 122.6° | 122.6° |
H79 | N17 | C50 | 118.7° | 118.7° |
C53 | C52 | C55 | 110.2° | 110.2° |
C53 | C52 | H80 | 108.0° | 108.0° |
C52 | C53 | C54 | 111.5° | 111.5° |
C52 | C53 | O22 | 109.5° | 109.5° |
C52 | C53 | H81 | 108.2° | 108.2° |
C55 | C52 | H80 | 108.3° | 108.3° |
C52 | C55 | O23 | 120.7° | 120.7° |
C52 | C55 | N18 | 116.4° | 116.4° |
C54 | C53 | O22 | 109.3° | 109.3° |
C54 | C53 | H81 | 108.5° | 108.5° |
C53 | C54 | H82 | 109.5° | 109.5° |
C53 | C54 | H83 | 109.5° | 109.5° |
C53 | C54 | H84 | 109.5° | 109.5° |
O22 | C53 | H81 | 109.7° | 109.7° |
C53 | O22 | H85 | 109.5° | 109.5° |
H82 | C54 | H83 | 109.4° | 109.4° |
H82 | C54 | H84 | 109.5° | 109.5° |
H83 | C54 | H84 | 109.5° | 109.5° |
O23 | C55 | N18 | 122.8° | 122.8° |
C56 | N18 | H86 | 119.5° | 119.5° |
N18 | C56 | C57 | 113.3° | 113.3° |
N18 | C56 | C58 | 110.4° | 110.4° |
N18 | C56 | H87 | 108.5° | 108.5° |
C56 | N18 | C55 | 121.0° | 121.0° |
H86 | N18 | C55 | 119.5° | 119.5° |
C57 | C56 | C58 | 109.5° | 109.5° |
C57 | C56 | H87 | 107.5° | 107.5° |
C56 | C57 | O24 | 122.1° | 122.1° |
C56 | C57 | N19 | 113.6° | 113.6° |
C58 | C56 | H87 | 107.5° | 107.5° |
C56 | C58 | S5 | 114.1° | 114.1° |
C56 | C58 | H88 | 108.3° | 108.3° |
C56 | C58 | H89 | 108.3° | 108.3° |
O24 | C57 | N19 | 124.3° | 124.3° |
S5 | C58 | H88 | 108.3° | 108.3° |
S5 | C58 | H89 | 108.3° | 108.3° |
C58 | S5 | S2 | 103.8° | 103.8° |
H88 | C58 | H89 | 109.5° | 109.5° |
C59 | N19 | H90 | 117.7° | 117.7° |
N19 | C59 | C60 | 106.0° | 106.0° |
N19 | C59 | C61 | 110.8° | 110.8° |
N19 | C59 | H91 | 110.3° | 110.3° |
C59 | N19 | C57 | 124.6° | 124.6° |
H90 | N19 | C57 | 117.7° | 117.7° |
C60 | C59 | C61 | 111.3° | 111.3° |
C60 | C59 | H91 | 109.3° | 109.3° |
C59 | C60 | O25 | 121.4° | 121.4° |
C59 | C60 | N20 | 113.3° | 113.3° |
C61 | C59 | H91 | 109.2° | 109.2° |
C59 | C61 | O26 | 110.7° | 110.7° |
C59 | C61 | H92 | 109.2° | 109.2° |
C59 | C61 | H93 | 109.2° | 109.2° |
O25 | C60 | N20 | 125.1° | 125.1° |
O26 | C61 | H92 | 109.2° | 109.2° |
O26 | C61 | H93 | 109.2° | 109.2° |
C61 | O26 | H94 | 109.5° | 109.5° |
H92 | C61 | H93 | 109.5° | 109.5° |
C62 | N20 | H95 | 117.4° | 117.4° |
N20 | C62 | C63 | 109.3° | 109.3° |
N20 | C62 | C72 | 114.0° | 114.0° |
N20 | C62 | H96 | 108.4° | 108.4° |
C62 | N20 | C60 | 125.2° | 125.2° |
H95 | N20 | C60 | 117.4° | 117.4° |
C63 | C62 | C72 | 109.9° | 109.9° |
C63 | C62 | H96 | 107.5° | 107.5° |
C62 | C63 | C64 | 113.5° | 113.5° |
C62 | C63 | H97 | 108.5° | 108.5° |
C62 | C63 | H98 | 108.5° | 108.5° |
C72 | C62 | H96 | 107.6° | 107.6° |
C62 | C72 | O27 | 121.2° | 121.2° |
C62 | C72 | N22 | 116.8° | 116.8° |
C64 | C63 | H97 | 108.5° | 108.5° |
C64 | C63 | H98 | 108.4° | 108.4° |
C63 | C64 | C65 | 126.5° | 126.5° |
C63 | C64 | C71 | 127.3° | 127.3° |
H97 | C63 | H98 | 109.5° | 109.5° |
C65 | C64 | C71 | 106.2° | 106.2° |
C64 | C65 | N21 | 110.2° | 110.2° |
C64 | C65 | H99 | 124.9° | 124.9° |
C64 | C71 | C66 | 107.1° | 107.1° |
C64 | C71 | C70 | 134.1° | 134.1° |
N21 | C65 | H99 | 124.9° | 124.9° |
C65 | N21 | C66 | 108.9° | 108.9° |
C65 | N21 | H100 | 125.6° | 125.6° |
C66 | N21 | H100 | 125.5° | 125.5° |
N21 | C66 | C67 | 130.1° | 130.1° |
N21 | C66 | C71 | 107.5° | 107.5° |
C67 | C66 | C71 | 122.3° | 122.3° |
C66 | C67 | C68 | 117.6° | 117.6° |
C66 | C67 | H101 | 121.2° | 121.2° |
C66 | C71 | C70 | 118.8° | 118.8° |
C68 | C67 | H101 | 121.2° | 121.2° |
C67 | C68 | C69 | 121.3° | 121.3° |
C67 | C68 | H102 | 119.4° | 119.4° |
C69 | C68 | H102 | 119.3° | 119.3° |
C68 | C69 | C70 | 121.2° | 121.2° |
C68 | C69 | H103 | 119.4° | 119.4° |
C70 | C69 | H103 | 119.4° | 119.4° |
C69 | C70 | C71 | 118.8° | 118.8° |
C69 | C70 | H104 | 120.6° | 120.6° |
C71 | C70 | H104 | 120.6° | 120.6° |
O27 | C72 | N22 | 122.1° | 122.1° |
C73 | N22 | C76 | 110.2° | 110.2° |
N22 | C73 | C74 | 101.6° | 101.6° |
N22 | C73 | C77 | 114.0° | 114.0° |
N22 | C73 | H105 | 111.2° | 111.2° |
C73 | N22 | C72 | 124.0° | 124.0° |
N22 | C76 | C75 | 102.7° | 102.7° |
N22 | C76 | H110 | 111.1° | 111.1° |
N22 | C76 | H111 | 111.1° | 111.1° |
C76 | N22 | C72 | 125.8° | 125.8° |
C74 | C73 | C77 | 109.4° | 109.4° |
C74 | C73 | H105 | 110.2° | 110.2° |
C73 | C74 | C75 | 106.0° | 106.0° |
C73 | C74 | H106 | 110.3° | 110.3° |
C73 | C74 | H107 | 110.3° | 110.3° |
C77 | C73 | H105 | 110.1° | 110.1° |
C73 | C77 | O28 | 119.9° | 119.9° |
C73 | C77 | N23 | 118.0° | 118.0° |
C75 | C74 | H106 | 110.3° | 110.3° |
C75 | C74 | H107 | 110.4° | 110.4° |
C74 | C75 | C76 | 107.6° | 107.6° |
C74 | C75 | H108 | 109.9° | 109.9° |
C74 | C75 | H109 | 109.9° | 109.9° |
H106 | C74 | H107 | 109.5° | 109.5° |
C76 | C75 | H108 | 109.9° | 109.9° |
C76 | C75 | H109 | 110.0° | 110.0° |
C75 | C76 | H110 | 111.1° | 111.1° |
C75 | C76 | H111 | 111.1° | 111.1° |
H108 | C75 | H109 | 109.5° | 109.5° |
H110 | C76 | H111 | 109.5° | 109.5° |
O28 | C77 | N23 | 122.1° | 122.1° |
C78 | N23 | H112 | 119.6° | 119.7° |
N23 | C78 | C79 | 111.5° | 111.5° |
N23 | C78 | C82 | 112.6° | 112.6° |
N23 | C78 | H113 | 108.6° | 108.5° |
C78 | N23 | C77 | 120.7° | 120.7° |
H112 | N23 | C77 | 119.7° | 119.6° |
C79 | C78 | C82 | 108.7° | 108.7° |
C79 | C78 | H113 | 107.5° | 107.5° |
C78 | C79 | C80 | 111.1° | 111.1° |
C78 | C79 | C81 | 110.7° | 110.7° |
C78 | C79 | H114 | 107.8° | 107.8° |
C82 | C78 | H113 | 107.8° | 107.8° |
C78 | C82 | O29 | 121.3° | 121.3° |
C78 | C82 | N24 | 116.0° | 116.0° |
C80 | C79 | C81 | 110.8° | 110.8° |
C80 | C79 | H114 | 108.2° | 108.2° |
C79 | C80 | H115 | 109.5° | 109.5° |
C79 | C80 | H116 | 109.4° | 109.4° |
C79 | C80 | H117 | 109.5° | 109.5° |
C81 | C79 | H114 | 108.2° | 108.2° |
C79 | C81 | H118 | 109.5° | 109.5° |
C79 | C81 | H119 | 109.5° | 109.5° |
C79 | C81 | H120 | 109.4° | 109.4° |
H115 | C80 | H116 | 109.5° | 109.5° |
H115 | C80 | H117 | 109.4° | 109.4° |
H116 | C80 | H117 | 109.5° | 109.5° |
H118 | C81 | H119 | 109.4° | 109.4° |
H118 | C81 | H120 | 109.5° | 109.5° |
H119 | C81 | H120 | 109.5° | 109.5° |
O29 | C82 | N24 | 122.7° | 122.7° |
C83 | N24 | H121 | 119.0° | 119.0° |
N24 | C83 | C84 | 111.2° | 111.2° |
N24 | C83 | C85 | 110.0° | 110.0° |
N24 | C83 | H122 | 109.3° | 109.3° |
C83 | N24 | C82 | 122.0° | 122.0° |
H121 | N24 | C82 | 119.0° | 119.0° |
C84 | C83 | C85 | 109.5° | 109.5° |
C84 | C83 | H122 | 108.4° | 108.4° |
C83 | C84 | O30 | 120.9° | 120.9° |
C83 | C84 | N25 | 116.1° | 116.1° |
C85 | C83 | H122 | 108.3° | 108.3° |
C83 | C85 | S6 | 113.8° | 113.8° |
C83 | C85 | H123 | 108.4° | 108.4° |
C83 | C85 | H124 | 108.4° | 108.4° |
O30 | C84 | N25 | 122.9° | 122.9° |
S6 | C85 | H123 | 108.4° | 108.4° |
S6 | C85 | H124 | 108.4° | 108.4° |
C85 | S6 | S3 | 103.4° | 103.4° |
H123 | C85 | H124 | 109.4° | 109.4° |
C86 | N25 | H125 | 119.2° | 119.2° |
N25 | C86 | C87 | 112.0° | 112.0° |
N25 | C86 | C89 | 111.7° | 111.7° |
N25 | C86 | H126 | 109.0° | 109.0° |
C86 | N25 | C84 | 121.5° | 121.5° |
H125 | N25 | C84 | 119.3° | 119.3° |
C87 | C86 | C89 | 108.1° | 108.1° |
C87 | C86 | H126 | 107.8° | 107.8° |
C86 | C87 | C88 | 111.5° | 111.5° |
C86 | C87 | O31 | 110.0° | 110.0° |
C86 | C87 | H127 | 108.1° | 108.1° |
C89 | C86 | H126 | 108.0° | 108.0° |
C86 | C89 | O32 | 121.5° | 121.5° |
C86 | C89 | N26 | 115.2° | 115.2° |
C88 | C87 | O31 | 109.5° | 109.5° |
C88 | C87 | H127 | 108.3° | 108.3° |
C87 | C88 | H128 | 109.5° | 109.5° |
C87 | C88 | H129 | 109.5° | 109.5° |
C87 | C88 | H130 | 109.5° | 109.5° |
O31 | C87 | H127 | 109.5° | 109.5° |
C87 | O31 | H131 | 109.5° | 109.5° |
H128 | C88 | H129 | 109.4° | 109.4° |
H128 | C88 | H130 | 109.4° | 109.4° |
H129 | C88 | H130 | 109.5° | 109.5° |
O32 | C89 | N26 | 123.2° | 123.2° |
C90 | N26 | H132 | 118.8° | 118.8° |
N26 | C90 | C91 | 109.7° | 109.7° |
N26 | C90 | C95 | 108.2° | 108.2° |
N26 | C90 | H133 | 110.0° | 110.0° |
C90 | N26 | C89 | 122.5° | 122.5° |
H132 | N26 | C89 | 118.7° | 118.8° |
C91 | C90 | C95 | 110.8° | 110.8° |
C91 | C90 | H133 | 109.0° | 108.9° |
C90 | C91 | C92 | 114.6° | 114.6° |
C90 | C91 | H134 | 108.2° | 108.2° |
C90 | C91 | H135 | 108.2° | 108.2° |
C95 | C90 | H133 | 109.1° | 109.2° |
C90 | C95 | O33 | 119.8° | 119.8° |
C90 | C95 | N30 | 115.7° | 115.7° |
C92 | C91 | H134 | 108.2° | 108.2° |
C92 | C91 | H135 | 108.2° | 108.2° |
C91 | C92 | C93 | 111.0° | 111.0° |
C91 | C92 | H136 | 109.1° | 109.1° |
C91 | C92 | H137 | 109.1° | 109.1° |
H134 | C91 | H135 | 109.5° | 109.5° |
C93 | C92 | H136 | 109.1° | 109.1° |
C93 | C92 | H137 | 109.1° | 109.1° |
C92 | C93 | N27 | 111.8° | 111.8° |
C92 | C93 | H138 | 108.9° | 108.9° |
C92 | C93 | H139 | 108.9° | 108.9° |
H136 | C92 | H137 | 109.4° | 109.5° |
N27 | C93 | H138 | 108.9° | 108.9° |
N27 | C93 | H139 | 108.9° | 108.9° |
C93 | N27 | C94 | 124.1° | 124.1° |
C93 | N27 | H140 | 117.9° | 118.0° |
H138 | C93 | H139 | 109.5° | 109.5° |
C94 | N27 | H140 | 117.9° | 117.9° |
N27 | C94 | N28 | 120.3° | 120.3° |
N27 | C94 | N29 | 120.3° | 120.3° |
N28 | C94 | N29 | 119.4° | 119.4° |
C94 | N28 | H141 | 120.0° | 120.0° |
C94 | N28 | H142 | 120.0° | 120.0° |
C94 | N29 | H143 | 120.0° | 120.0° |
C94 | N29 | H144 | 120.0° | 120.0° |
H141 | N28 | H142 | 120.0° | 120.0° |
H143 | N29 | H144 | 120.0° | 120.0° |
O33 | C95 | N30 | 124.4° | 124.4° |
C96 | N30 | H145 | 118.0° | 118.0° |
N30 | C96 | C97 | 112.4° | 112.4° |
N30 | C96 | C98 | 113.0° | 113.0° |
N30 | C96 | H146 | 107.3° | 107.3° |
C96 | N30 | C95 | 123.9° | 123.9° |
H145 | N30 | C95 | 118.1° | 118.1° |
C97 | C96 | C98 | 110.8° | 110.8° |
C97 | C96 | H146 | 106.5° | 106.5° |
C96 | C97 | O34 | 120.5° | 120.5° |
C96 | C97 | N32 | 116.8° | 116.8° |
C98 | C96 | H146 | 106.3° | 106.3° |
C96 | C98 | C99 | 115.1° | 115.1° |
C96 | C98 | H147 | 108.0° | 108.0° |
C96 | C98 | H148 | 108.1° | 108.1° |
O34 | C97 | N32 | 122.7° | 122.7° |
C99 | C98 | H147 | 108.1° | 108.1° |
C99 | C98 | H148 | 108.0° | 108.0° |
C98 | C99 | O35 | 121.0° | 121.0° |
C98 | C99 | N31 | 116.7° | 116.7° |
H147 | C98 | H148 | 109.4° | 109.4° |
O35 | C99 | N31 | 122.3° | 122.3° |
C99 | N31 | H149 | 120.0° | 120.0° |
C99 | N31 | H150 | 120.0° | 120.0° |
H149 | N31 | H150 | 120.0° | 120.0° |
C100 | N32 | H151 | 119.8° | 119.8° |
N32 | C100 | C101 | 114.1° | 114.1° |
N32 | C100 | H152 | 108.3° | 108.3° |
N32 | C100 | H153 | 108.3° | 108.3° |
C100 | N32 | C97 | 120.4° | 120.4° |
H151 | N32 | C97 | 119.8° | 119.8° |
C101 | C100 | H152 | 108.3° | 108.3° |
C101 | C100 | H153 | 108.3° | 108.3° |
C100 | C101 | O36 | 120.3° | 120.3° |
C100 | C101 | N33 | 117.3° | 117.3° |
H152 | C100 | H153 | 109.4° | 109.4° |
O36 | C101 | N33 | 122.4° | 122.4° |
C102 | N33 | H154 | 119.4° | 119.4° |
N33 | C102 | C103 | 110.3° | 110.3° |
N33 | C102 | C107 | 110.5° | 110.5° |
N33 | C102 | H155 | 109.6° | 109.6° |
C102 | N33 | C101 | 121.2° | 121.2° |
H154 | N33 | C101 | 119.4° | 119.4° |
C103 | C102 | C107 | 109.1° | 109.1° |
C103 | C102 | H155 | 108.6° | 108.6° |
C102 | C103 | C104 | 115.2° | 115.2° |
C102 | C103 | H156 | 108.0° | 108.0° |
C102 | C103 | H157 | 108.0° | 108.0° |
C107 | C102 | H155 | 108.8° | 108.8° |
C102 | C107 | O37 | 120.0° | 120.0° |
C102 | C107 | N34 | 118.2° | 118.2° |
C104 | C103 | H156 | 108.0° | 108.0° |
C104 | C103 | H157 | 108.0° | 108.0° |
C103 | C104 | C105 | 110.7° | 110.7° |
C103 | C104 | C106 | 110.5° | 110.5° |
C103 | C104 | H158 | 108.2° | 108.2° |
H156 | C103 | H157 | 109.5° | 109.5° |
C105 | C104 | C106 | 110.6° | 110.6° |
C105 | C104 | H158 | 108.3° | 108.3° |
C104 | C105 | H159 | 109.5° | 109.5° |
C104 | C105 | H160 | 109.5° | 109.5° |
C104 | C105 | H161 | 109.4° | 109.4° |
C106 | C104 | H158 | 108.3° | 108.3° |
C104 | C106 | H162 | 109.5° | 109.5° |
C104 | C106 | H163 | 109.5° | 109.5° |
C104 | C106 | H164 | 109.5° | 109.5° |
H159 | C105 | H160 | 109.4° | 109.4° |
H159 | C105 | H161 | 109.5° | 109.5° |
H160 | C105 | H161 | 109.5° | 109.5° |
H162 | C106 | H163 | 109.4° | 109.5° |
H162 | C106 | H164 | 109.4° | 109.4° |
H163 | C106 | H164 | 109.5° | 109.5° |
O37 | C107 | N34 | 121.8° | 121.8° |
C108 | N34 | C111 | 111.4° | 111.4° |
N34 | C108 | C109 | 104.2° | 104.2° |
N34 | C108 | C112 | 112.1° | 112.1° |
N34 | C108 | H165 | 110.4° | 110.4° |
C108 | N34 | C107 | 122.9° | 122.9° |
N34 | C111 | C110 | 102.5° | 102.5° |
N34 | C111 | H170 | 111.2° | 111.2° |
N34 | C111 | H171 | 111.2° | 111.2° |
C111 | N34 | C107 | 125.8° | 125.8° |
C109 | C108 | C112 | 111.0° | 111.0° |
C109 | C108 | H165 | 109.4° | 109.4° |
C108 | C109 | C110 | 106.0° | 106.0° |
C108 | C109 | H166 | 110.4° | 110.4° |
C108 | C109 | H167 | 110.3° | 110.3° |
C112 | C108 | H165 | 109.6° | 109.6° |
C108 | C112 | O38 | 121.8° | 121.8° |
C108 | C112 | N35 | 114.8° | 114.8° |
C110 | C109 | H166 | 110.3° | 110.3° |
C110 | C109 | H167 | 110.3° | 110.3° |
C109 | C110 | C111 | 106.5° | 106.5° |
C109 | C110 | H168 | 110.2° | 110.2° |
C109 | C110 | H169 | 110.2° | 110.2° |
H166 | C109 | H167 | 109.5° | 109.5° |
C111 | C110 | H168 | 110.2° | 110.2° |
C111 | C110 | H169 | 110.2° | 110.2° |
C110 | C111 | H170 | 111.2° | 111.2° |
C110 | C111 | H171 | 111.2° | 111.2° |
H168 | C110 | H169 | 109.5° | 109.5° |
H170 | C111 | H171 | 109.5° | 109.5° |
O38 | C112 | N35 | 123.4° | 123.4° |
C113 | N35 | H172 | 118.8° | 118.8° |
N35 | C113 | C114 | 111.1° | 111.1° |
N35 | C113 | C117 | 111.8° | 111.8° |
N35 | C113 | H173 | 109.0° | 109.0° |
C113 | N35 | C112 | 122.4° | 122.4° |
H172 | N35 | C112 | 118.8° | 118.8° |
C114 | C113 | C117 | 109.0° | 109.0° |
C114 | C113 | H173 | 107.8° | 107.8° |
C113 | C114 | C115 | 111.0° | 111.0° |
C113 | C114 | C116 | 110.6° | 110.6° |
C113 | C114 | H174 | 107.9° | 107.9° |
C117 | C113 | H173 | 108.0° | 108.0° |
C113 | C117 | O39 | 120.5° | 120.5° |
C113 | C117 | N1 | 117.0° | 117.0° |
C115 | C114 | C116 | 110.8° | 110.8° |
C115 | C114 | H174 | 108.2° | 108.2° |
C114 | C115 | H175 | 109.5° | 109.5° |
C114 | C115 | H176 | 109.4° | 109.4° |
C114 | C115 | H177 | 109.5° | 109.5° |
C116 | C114 | H174 | 108.3° | 108.3° |
C114 | C116 | H178 | 109.5° | 109.5° |
C114 | C116 | H179 | 109.4° | 109.4° |
C114 | C116 | H180 | 109.5° | 109.5° |
H175 | C115 | H176 | 109.4° | 109.4° |
H175 | C115 | H177 | 109.5° | 109.5° |
H176 | C115 | H177 | 109.5° | 109.5° |
H178 | C116 | H179 | 109.5° | 109.5° |
H178 | C116 | H180 | 109.4° | 109.4° |
H179 | C116 | H180 | 109.5° | 109.5° |
O39 | C117 | N1 | 122.6° | 122.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | N1 | H1 | C117 | 180.0° | 180.0° |
N1 | C1 | C2 | C3 | 121.8° | 121.8° |
N1 | C1 | C2 | H2 | 119.9° | 119.9° |
N1 | C1 | C3 | H2 | 119.6° | 119.6° |
N1 | C1 | C2 | O1 | 152.0° | 152.0° |
N1 | C1 | C3 | S1 | 55.4° | 55.4° |
N1 | C1 | C3 | H3 | 176.0° | 176.0° |
N1 | C1 | C3 | H4 | 65.3° | 65.3° |
C1 | N1 | C117 | C113 | 179.7° | 179.7° |
C1 | N1 | C117 | O39 | 0.0° | 0.0° |
N1 | C1 | C2 | N2 | 28.4° | 28.4° |
H1 | N1 | C1 | C2 | 92.0° | 92.0° |
H1 | N1 | C1 | C3 | 29.6° | 29.6° |
H1 | N1 | C1 | H2 | 148.6° | 148.6° |
H1 | N1 | C117 | C113 | 0.3° | 0.3° |
H1 | N1 | C117 | O39 | 180.0° | 180.0° |
C2 | C1 | C3 | H2 | 118.4° | 118.4° |
C1 | C2 | O1 | N2 | 179.5° | 179.5° |
C2 | C1 | C3 | S1 | 177.3° | 177.3° |
C2 | C1 | C3 | H3 | 62.1° | 62.1° |
C2 | C1 | C3 | H4 | 56.6° | 56.6° |
C1 | C2 | N2 | C4 | 179.5° | 179.5° |
C1 | C2 | N2 | H5 | 0.6° | 0.6° |
C2 | C1 | N1 | C117 | 88.0° | 88.0° |
C3 | C1 | C2 | O1 | 86.2° | 86.2° |
C1 | C3 | S1 | H3 | 120.6° | 120.6° |
C1 | C3 | S1 | H4 | 120.7° | 120.7° |
C1 | C3 | H3 | H4 | 118.0° | 118.0° |
C3 | C1 | N1 | C117 | 150.4° | 150.4° |
C3 | C1 | C2 | N2 | 93.4° | 93.4° |
C1 | C3 | S1 | S4 | 116.5° | 116.5° |
H2 | C1 | C2 | O1 | 32.2° | 32.2° |
H2 | C1 | C3 | S1 | 64.3° | 64.3° |
H2 | C1 | C3 | H3 | 56.4° | 56.4° |
H2 | C1 | C3 | H4 | 175.0° | 175.0° |
H2 | C1 | N1 | C117 | 31.4° | 31.4° |
H2 | C1 | C2 | N2 | 148.3° | 148.3° |
O1 | C2 | N2 | C4 | 0.1° | 0.1° |
O1 | C2 | N2 | H5 | 179.9° | 179.9° |
S1 | C3 | H3 | H4 | 118.0° | 118.0° |
C3 | S1 | S4 | C51 | 95.8° | 95.8° |
H3 | C3 | S1 | S4 | 4.2° | 4.2° |
H4 | C3 | S1 | S4 | 122.8° | 122.8° |
C4 | N2 | H5 | C2 | 180.0° | 180.0° |
N2 | C4 | C5 | H6 | 120.3° | 120.3° |
N2 | C4 | C5 | H7 | 120.3° | 120.3° |
N2 | C4 | H6 | H7 | 119.1° | 119.1° |
N2 | C4 | C5 | O2 | 175.2° | 175.2° |
N2 | C4 | C5 | N3 | 4.6° | 4.6° |
H5 | N2 | C4 | C5 | 100.2° | 100.2° |
H5 | N2 | C4 | H6 | 139.5° | 139.5° |
H5 | N2 | C4 | H7 | 20.1° | 20.1° |
C5 | C4 | H6 | H7 | 119.1° | 119.1° |
C4 | C5 | O2 | N3 | 179.8° | 179.8° |
C4 | C5 | N3 | C6 | 179.9° | 179.9° |
C4 | C5 | N3 | H8 | 0.0° | 0.0° |
C5 | C4 | N2 | C2 | 79.9° | 79.9° |
H6 | C4 | C5 | O2 | 64.5° | 64.5° |
H6 | C4 | N2 | C2 | 40.4° | 40.4° |
H6 | C4 | C5 | N3 | 115.7° | 115.7° |
H7 | C4 | C5 | O2 | 54.9° | 54.9° |
H7 | C4 | N2 | C2 | 159.8° | 159.8° |
H7 | C4 | C5 | N3 | 124.9° | 124.9° |
O2 | C5 | N3 | C6 | 0.2° | 0.2° |
O2 | C5 | N3 | H8 | 179.8° | 179.8° |
C6 | N3 | H8 | C5 | 180.0° | 180.0° |
N3 | C6 | C7 | C8 | 121.0° | 121.0° |
N3 | C6 | C7 | H9 | 120.8° | 120.8° |
N3 | C6 | C8 | H9 | 120.3° | 120.3° |
N3 | C6 | C7 | O3 | 27.9° | 27.9° |
N3 | C6 | C8 | C9 | 63.1° | 63.1° |
N3 | C6 | C8 | H10 | 176.3° | 176.3° |
N3 | C6 | C8 | H11 | 57.6° | 57.6° |
N3 | C6 | C7 | N4 | 153.6° | 153.6° |
H8 | N3 | C6 | C7 | 91.8° | 91.8° |
H8 | N3 | C6 | C8 | 28.2° | 28.2° |
H8 | N3 | C6 | H9 | 147.9° | 147.9° |
C7 | C6 | C8 | H9 | 118.3° | 118.3° |
C6 | C7 | O3 | N4 | 178.3° | 178.3° |
C7 | C6 | C8 | C9 | 175.5° | 175.5° |
C7 | C6 | C8 | H10 | 54.9° | 54.9° |
C7 | C6 | C8 | H11 | 63.8° | 63.8° |
C6 | C7 | N4 | C11 | 178.3° | 178.3° |
C6 | C7 | N4 | H15 | 1.7° | 1.7° |
C7 | C6 | N3 | C5 | 88.2° | 88.2° |
C8 | C6 | C7 | O3 | 93.0° | 93.0° |
C6 | C8 | C9 | H10 | 120.7° | 120.7° |
C6 | C8 | C9 | H11 | 120.7° | 120.7° |
C6 | C8 | H10 | H11 | 118.0° | 118.0° |
C6 | C8 | C9 | C10 | 145.9° | 145.9° |
C6 | C8 | C9 | H12 | 25.5° | 25.5° |
C6 | C8 | C9 | H13 | 93.7° | 93.7° |
C8 | C6 | N3 | C5 | 151.8° | 151.8° |
C8 | C6 | C7 | N4 | 85.4° | 85.4° |
H9 | C6 | C7 | O3 | 148.8° | 148.8° |
H9 | C6 | C8 | C9 | 57.2° | 57.2° |
H9 | C6 | C8 | H10 | 63.4° | 63.4° |
H9 | C6 | C8 | H11 | 177.9° | 177.9° |
H9 | C6 | N3 | C5 | 32.1° | 32.1° |
H9 | C6 | C7 | N4 | 32.8° | 32.8° |
O3 | C7 | N4 | C11 | 0.1° | 0.1° |
O3 | C7 | N4 | H15 | 179.9° | 179.9° |
C9 | C8 | H10 | H11 | 118.0° | 118.0° |
C8 | C9 | C10 | H12 | 120.4° | 120.4° |
C8 | C9 | C10 | H13 | 120.4° | 120.4° |
C8 | C9 | H12 | H13 | 118.8° | 118.8° |
C8 | C9 | C10 | O4 | 58.9° | 58.9° |
C8 | C9 | C10 | O5 | 120.5° | 120.5° |
H10 | C8 | C9 | C10 | 93.4° | 93.4° |
H10 | C8 | C9 | H12 | 146.2° | 146.2° |
H10 | C8 | C9 | H13 | 26.9° | 26.9° |
H11 | C8 | C9 | C10 | 25.2° | 25.2° |
H11 | C8 | C9 | H12 | 95.1° | 95.1° |
H11 | C8 | C9 | H13 | 145.6° | 145.6° |
C10 | C9 | H12 | H13 | 118.8° | 118.8° |
C9 | C10 | O4 | O5 | 179.3° | 179.3° |
C9 | C10 | O5 | H14 | 179.3° | 179.3° |
H12 | C9 | C10 | O4 | 179.3° | 179.3° |
H12 | C9 | C10 | O5 | 0.1° | 0.1° |
H13 | C9 | C10 | O4 | 61.5° | 61.5° |
H13 | C9 | C10 | O5 | 119.1° | 119.1° |
O4 | C10 | O5 | H14 | 0.0° | 0.0° |
C11 | N4 | H15 | C7 | 180.0° | 180.0° |
N4 | C11 | C12 | C14 | 121.9° | 121.9° |
N4 | C11 | C12 | H16 | 120.6° | 120.6° |
N4 | C11 | C14 | H16 | 119.2° | 119.2° |
N4 | C11 | C12 | C13 | 58.8° | 58.8° |
N4 | C11 | C12 | O6 | 62.7° | 62.7° |
N4 | C11 | C12 | H17 | 177.8° | 177.8° |
N4 | C11 | C14 | O7 | 26.0° | 26.0° |
N4 | C11 | C14 | N5 | 154.5° | 154.5° |
H15 | N4 | C11 | C12 | 59.9° | 59.9° |
H15 | N4 | C11 | C14 | 61.6° | 61.6° |
H15 | N4 | C11 | H16 | 179.8° | 179.8° |
C12 | C11 | C14 | H16 | 117.3° | 117.3° |
C11 | C12 | C13 | O6 | 121.7° | 121.7° |
C11 | C12 | C13 | H17 | 118.8° | 118.8° |
C11 | C12 | O6 | H17 | 118.7° | 118.7° |
C11 | C12 | C13 | H18 | 180.0° | 180.0° |
C11 | C12 | C13 | H19 | 60.0° | 60.0° |
C11 | C12 | C13 | H20 | 60.0° | 60.0° |
C11 | C12 | O6 | H21 | 180.0° | 180.0° |
C12 | C11 | C14 | O7 | 97.5° | 97.5° |
C12 | C11 | N4 | C7 | 120.1° | 120.1° |
C12 | C11 | C14 | N5 | 82.0° | 82.0° |
C14 | C11 | C12 | C13 | 63.1° | 63.1° |
C14 | C11 | C12 | O6 | 175.4° | 175.4° |
C14 | C11 | C12 | H17 | 55.9° | 55.9° |
C11 | C14 | O7 | N5 | 179.5° | 179.5° |
C11 | C14 | N5 | C15 | 179.6° | 179.6° |
C11 | C14 | N5 | H22 | 0.5° | 0.5° |
C14 | C11 | N4 | C7 | 118.4° | 118.4° |
H16 | C11 | C12 | C13 | 179.4° | 179.4° |
H16 | C11 | C12 | O6 | 57.9° | 57.9° |
H16 | C11 | C12 | H17 | 61.7° | 61.7° |
H16 | C11 | C14 | O7 | 145.1° | 145.1° |
H16 | C11 | N4 | C7 | 0.2° | 0.2° |
H16 | C11 | C14 | N5 | 35.4° | 35.4° |
C13 | C12 | O6 | H17 | 118.7° | 118.7° |
C12 | C13 | H18 | H19 | 120.0° | 120.0° |
C12 | C13 | H18 | H20 | 120.0° | 120.0° |
C12 | C13 | H19 | H20 | 120.0° | 120.0° |
C13 | C12 | O6 | H21 | 57.4° | 57.4° |
O6 | C12 | C13 | H18 | 58.3° | 58.3° |
O6 | C12 | C13 | H19 | 178.3° | 178.3° |
O6 | C12 | C13 | H20 | 61.7° | 61.7° |
H17 | C12 | C13 | H18 | 61.2° | 61.2° |
H17 | C12 | C13 | H19 | 58.8° | 58.8° |
H17 | C12 | C13 | H20 | 178.8° | 178.8° |
H17 | C12 | O6 | H21 | 61.3° | 61.3° |
H18 | C13 | H19 | H20 | 120.0° | 120.0° |
O7 | C14 | N5 | C15 | 0.1° | 0.1° |
O7 | C14 | N5 | H22 | 179.9° | 179.9° |
C15 | N5 | H22 | C14 | 180.0° | 180.0° |
N5 | C15 | C16 | C17 | 124.9° | 124.9° |
N5 | C15 | C16 | H23 | 118.3° | 118.3° |
N5 | C15 | C17 | H23 | 118.6° | 118.6° |
N5 | C15 | C16 | O8 | 125.0° | 125.0° |
N5 | C15 | C17 | S2 | 53.2° | 53.2° |
N5 | C15 | C17 | H24 | 67.7° | 67.7° |
N5 | C15 | C17 | H25 | 174.1° | 174.1° |
N5 | C15 | C16 | N6 | 56.7° | 56.7° |
H22 | N5 | C15 | C16 | 43.8° | 43.8° |
H22 | N5 | C15 | C17 | 80.3° | 80.3° |
H22 | N5 | C15 | H23 | 161.7° | 161.7° |
C16 | C15 | C17 | H23 | 117.0° | 117.0° |
C15 | C16 | O8 | N6 | 178.1° | 178.1° |
C16 | C15 | C17 | S2 | 71.2° | 71.2° |
C16 | C15 | C17 | H24 | 167.9° | 167.9° |
C16 | C15 | C17 | H25 | 49.7° | 49.7° |
C15 | C16 | N6 | C18 | 178.1° | 178.1° |
C15 | C16 | N6 | H26 | 1.9° | 1.9° |
C16 | C15 | N5 | C14 | 136.2° | 136.2° |
C17 | C15 | C16 | O8 | 0.1° | 0.1° |
C15 | C17 | S2 | H24 | 120.9° | 120.9° |
C15 | C17 | S2 | H25 | 120.9° | 120.9° |
C15 | C17 | H24 | H25 | 117.3° | 117.3° |
C17 | C15 | N5 | C14 | 99.7° | 99.7° |
C17 | C15 | C16 | N6 | 178.3° | 178.3° |
C15 | C17 | S2 | S5 | 136.9° | 136.9° |
H23 | C15 | C16 | O8 | 116.7° | 116.7° |
H23 | C15 | C17 | S2 | 171.8° | 171.8° |
H23 | C15 | C17 | H24 | 51.0° | 51.0° |
H23 | C15 | C17 | H25 | 67.3° | 67.3° |
H23 | C15 | N5 | C14 | 18.3° | 18.3° |
H23 | C15 | C16 | N6 | 61.6° | 61.6° |
O8 | C16 | N6 | C18 | 0.1° | 0.1° |
O8 | C16 | N6 | H26 | 179.9° | 179.9° |
S2 | C17 | H24 | H25 | 117.3° | 117.2° |
C17 | S2 | S5 | C58 | 81.0° | 81.0° |
H24 | C17 | S2 | S5 | 102.2° | 102.2° |
H25 | C17 | S2 | S5 | 16.1° | 16.1° |
C18 | N6 | H26 | C16 | 180.0° | 180.0° |
N6 | C18 | C19 | C22 | 120.3° | 120.3° |
N6 | C18 | C19 | H27 | 121.0° | 121.0° |
N6 | C18 | C22 | H27 | 119.4° | 119.4° |
N6 | C18 | C19 | C20 | 55.0° | 55.0° |
N6 | C18 | C19 | C21 | 178.0° | 178.0° |
N6 | C18 | C19 | H28 | 63.4° | 63.4° |
N6 | C18 | C22 | O9 | 143.1° | 143.1° |
N6 | C18 | C22 | N7 | 35.2° | 35.2° |
H26 | N6 | C18 | C19 | 0.1° | 0.1° |
H26 | N6 | C18 | C22 | 121.1° | 121.1° |
H26 | N6 | C18 | H27 | 120.2° | 120.2° |
C19 | C18 | C22 | H27 | 118.6° | 118.6° |
C18 | C19 | C20 | C21 | 123.1° | 123.1° |
C18 | C19 | C20 | H28 | 118.3° | 118.3° |
C18 | C19 | C21 | H28 | 118.4° | 118.4° |
C18 | C19 | C20 | H29 | 180.0° | 180.0° |
C18 | C19 | C20 | H30 | 60.0° | 60.0° |
C18 | C19 | C20 | H31 | 60.0° | 60.0° |
C18 | C19 | C21 | H32 | 180.0° | 180.0° |
C18 | C19 | C21 | H33 | 60.0° | 60.0° |
C18 | C19 | C21 | H34 | 60.0° | 60.0° |
C19 | C18 | C22 | O9 | 94.9° | 94.9° |
C19 | C18 | N6 | C16 | 179.9° | 179.9° |
C19 | C18 | C22 | N7 | 86.9° | 86.9° |
C22 | C18 | C19 | C20 | 175.3° | 175.3° |
C22 | C18 | C19 | C21 | 61.7° | 61.7° |
C22 | C18 | C19 | H28 | 56.9° | 56.9° |
C18 | C22 | O9 | N7 | 178.1° | 178.1° |
C18 | C22 | N7 | C23 | 178.3° | 178.3° |
C18 | C22 | N7 | H35 | 1.7° | 1.7° |
C22 | C18 | N6 | C16 | 58.9° | 58.9° |
H27 | C18 | C19 | C20 | 65.9° | 65.9° |
H27 | C18 | C19 | C21 | 57.0° | 57.0° |
H27 | C18 | C19 | H28 | 175.6° | 175.6° |
H27 | C18 | C22 | O9 | 23.7° | 23.7° |
H27 | C18 | N6 | C16 | 59.9° | 59.9° |
H27 | C18 | C22 | N7 | 154.5° | 154.5° |
C20 | C19 | C21 | H28 | 118.6° | 118.6° |
C19 | C20 | H29 | H30 | 120.0° | 120.0° |
C19 | C20 | H29 | H31 | 120.0° | 120.0° |
C19 | C20 | H30 | H31 | 120.0° | 120.0° |
C20 | C19 | C21 | H32 | 57.1° | 57.1° |
C20 | C19 | C21 | H33 | 62.9° | 62.9° |
C20 | C19 | C21 | H34 | 177.1° | 177.1° |
C21 | C19 | C20 | H29 | 56.9° | 56.9° |
C21 | C19 | C20 | H30 | 176.8° | 176.8° |
C21 | C19 | C20 | H31 | 63.1° | 63.1° |
C19 | C21 | H32 | H33 | 120.0° | 120.0° |
C19 | C21 | H32 | H34 | 120.0° | 120.0° |
C19 | C21 | H33 | H34 | 120.0° | 120.0° |
H28 | C19 | C20 | H29 | 61.7° | 61.7° |
H28 | C19 | C20 | H30 | 58.3° | 58.3° |
H28 | C19 | C20 | H31 | 178.3° | 178.3° |
H28 | C19 | C21 | H32 | 61.6° | 61.6° |
H28 | C19 | C21 | H33 | 178.5° | 178.5° |
H28 | C19 | C21 | H34 | 58.4° | 58.4° |
H29 | C20 | H30 | H31 | 119.9° | 119.9° |
H32 | C21 | H33 | H34 | 120.0° | 120.0° |
O9 | C22 | N7 | C23 | 0.1° | 0.1° |
O9 | C22 | N7 | H35 | 179.9° | 179.9° |
C23 | N7 | H35 | C22 | 180.0° | 180.0° |
N7 | C23 | C24 | H36 | 120.4° | 120.4° |
N7 | C23 | C24 | H37 | 120.4° | 120.4° |
N7 | C23 | H36 | H37 | 118.9° | 118.9° |
N7 | C23 | C24 | O10 | 175.3° | 175.3° |
N7 | C23 | C24 | N8 | 4.5° | 4.5° |
H35 | N7 | C23 | C24 | 85.9° | 85.9° |
H35 | N7 | C23 | H36 | 34.5° | 34.5° |
H35 | N7 | C23 | H37 | 153.7° | 153.7° |
C24 | C23 | H36 | H37 | 118.9° | 118.9° |
C23 | C24 | O10 | N8 | 179.9° | 179.9° |
C23 | C24 | N8 | C25 | 179.7° | 179.7° |
C23 | C24 | N8 | H38 | 0.3° | 0.3° |
C24 | C23 | N7 | C22 | 94.1° | 94.1° |
H36 | C23 | C24 | O10 | 64.3° | 64.3° |
H36 | C23 | N7 | C22 | 145.5° | 145.5° |
H36 | C23 | C24 | N8 | 115.8° | 115.8° |
H37 | C23 | C24 | O10 | 55.0° | 55.0° |
H37 | C23 | N7 | C22 | 26.3° | 26.3° |
H37 | C23 | C24 | N8 | 124.9° | 124.9° |
O10 | C24 | N8 | C25 | 0.1° | 0.1° |
O10 | C24 | N8 | H38 | 179.8° | 179.8° |
C25 | N8 | H38 | C24 | 180.0° | 180.0° |
N8 | C25 | C26 | H39 | 120.5° | 120.5° |
N8 | C25 | C26 | H40 | 120.4° | 120.4° |
N8 | C25 | H39 | H40 | 118.6° | 118.6° |
N8 | C25 | C26 | O11 | 136.9° | 136.9° |
N8 | C25 | C26 | N9 | 43.2° | 43.2° |
H38 | N8 | C25 | C26 | 91.5° | 91.5° |
H38 | N8 | C25 | H39 | 148.0° | 148.0° |
H38 | N8 | C25 | H40 | 29.0° | 29.0° |
C26 | C25 | H39 | H40 | 118.6° | 118.6° |
C25 | C26 | O11 | N9 | 179.9° | 179.9° |
C25 | C26 | N9 | C27 | 179.8° | 179.8° |
C25 | C26 | N9 | H41 | 0.2° | 0.2° |
C26 | C25 | N8 | C24 | 88.5° | 88.5° |
H39 | C25 | C26 | O11 | 16.5° | 16.5° |
H39 | C25 | N8 | C24 | 32.0° | 32.0° |
H39 | C25 | C26 | N9 | 163.7° | 163.7° |
H40 | C25 | C26 | O11 | 102.6° | 102.6° |
H40 | C25 | N8 | C24 | 151.1° | 151.1° |
H40 | C25 | C26 | N9 | 77.2° | 77.2° |
O11 | C26 | N9 | C27 | 0.0° | 0.0° |
O11 | C26 | N9 | H41 | 180.0° | 180.0° |
C27 | N9 | H41 | C26 | 180.0° | 180.0° |
N9 | C27 | C28 | C30 | 123.5° | 123.5° |
N9 | C27 | C28 | H42 | 119.2° | 119.2° |
N9 | C27 | C30 | H42 | 119.5° | 119.5° |
N9 | C27 | C28 | C29 | 59.1° | 59.1° |
N9 | C27 | C28 | O12 | 62.1° | 62.1° |
N9 | C27 | C28 | H43 | 178.2° | 178.2° |
N9 | C27 | C30 | O13 | 36.3° | 36.3° |
N9 | C27 | C30 | N10 | 143.2° | 143.2° |
H41 | N9 | C27 | C28 | 92.6° | 92.6° |
H41 | N9 | C27 | C30 | 29.9° | 29.9° |
H41 | N9 | C27 | H42 | 148.9° | 148.9° |
C28 | C27 | C30 | H42 | 117.1° | 117.1° |
C27 | C28 | C29 | O12 | 121.5° | 121.5° |
C27 | C28 | C29 | H43 | 118.9° | 118.9° |
C27 | C28 | O12 | H43 | 118.7° | 118.7° |
C27 | C28 | C29 | H44 | 180.0° | 180.0° |
C27 | C28 | C29 | H45 | 60.0° | 60.0° |
C27 | C28 | C29 | H46 | 60.0° | 60.0° |
C27 | C28 | O12 | H47 | 6.3° | 6.3° |
C28 | C27 | C30 | O13 | 87.1° | 87.1° |
C28 | C27 | N9 | C26 | 87.4° | 87.4° |
C28 | C27 | C30 | N10 | 93.4° | 93.4° |
C30 | C27 | C28 | C29 | 64.4° | 64.4° |
C30 | C27 | C28 | O12 | 174.4° | 174.4° |
C30 | C27 | C28 | H43 | 54.7° | 54.7° |
C27 | C30 | O13 | N10 | 179.5° | 179.5° |
C27 | C30 | N10 | C31 | 180.0° | 180.0° |
C27 | C30 | N10 | H48 | 0.1° | 0.1° |
C30 | C27 | N9 | C26 | 150.1° | 150.1° |
H42 | C27 | C28 | C29 | 178.3° | 178.3° |
H42 | C27 | C28 | O12 | 57.1° | 57.1° |
H42 | C27 | C28 | H43 | 62.6° | 62.6° |
H42 | C27 | C30 | O13 | 155.8° | 155.8° |
H42 | C27 | N9 | C26 | 31.1° | 31.1° |
H42 | C27 | C30 | N10 | 23.7° | 23.7° |
C29 | C28 | O12 | H43 | 118.8° | 118.8° |
C28 | C29 | H44 | H45 | 120.0° | 120.0° |
C28 | C29 | H44 | H46 | 120.0° | 120.0° |
C28 | C29 | H45 | H46 | 120.0° | 120.0° |
C29 | C28 | O12 | H47 | 116.2° | 116.2° |
O12 | C28 | C29 | H44 | 58.5° | 58.5° |
O12 | C28 | C29 | H45 | 178.5° | 178.5° |
O12 | C28 | C29 | H46 | 61.5° | 61.5° |
H43 | C28 | C29 | H44 | 61.0° | 61.0° |
H43 | C28 | C29 | H45 | 58.9° | 58.9° |
H43 | C28 | C29 | H46 | 178.9° | 178.9° |
H43 | C28 | O12 | H47 | 125.0° | 125.0° |
H44 | C29 | H45 | H46 | 120.0° | 120.0° |
O13 | C30 | N10 | C31 | 0.6° | 0.6° |
O13 | C30 | N10 | H48 | 179.4° | 179.4° |
C31 | N10 | H48 | C30 | 180.0° | 180.0° |
N10 | C31 | C32 | C33 | 122.5° | 122.5° |
N10 | C31 | C32 | H49 | 119.0° | 119.0° |
N10 | C31 | C33 | H49 | 118.8° | 118.8° |
N10 | C31 | C32 | O14 | 3.8° | 3.8° |
N10 | C31 | C33 | S3 | 63.3° | 63.3° |
N10 | C31 | C33 | H50 | 176.2° | 176.2° |
N10 | C31 | C33 | H51 | 57.2° | 57.2° |
N10 | C31 | C32 | N11 | 178.1° | 178.1° |
H48 | N10 | C31 | C32 | 68.3° | 68.3° |
H48 | N10 | C31 | C33 | 55.0° | 55.0° |
H48 | N10 | C31 | H49 | 173.2° | 173.3° |
C32 | C31 | C33 | H49 | 118.6° | 118.6° |
C31 | C32 | O14 | N11 | 178.0° | 178.0° |
C32 | C31 | C33 | S3 | 174.1° | 174.1° |
C32 | C31 | C33 | H50 | 53.6° | 53.6° |
C32 | C31 | C33 | H51 | 65.4° | 65.4° |
C31 | C32 | N11 | C34 | 178.1° | 178.1° |
C31 | C32 | N11 | H52 | 1.9° | 1.9° |
C32 | C31 | N10 | C30 | 111.7° | 111.7° |
C33 | C31 | C32 | O14 | 126.3° | 126.3° |
C31 | C33 | S3 | H50 | 120.5° | 120.5° |
C31 | C33 | S3 | H51 | 120.5° | 120.5° |
C31 | C33 | H50 | H51 | 118.5° | 118.5° |
C33 | C31 | N10 | C30 | 124.9° | 124.9° |
C33 | C31 | C32 | N11 | 55.6° | 55.6° |
C31 | C33 | S3 | S6 | 58.6° | 58.6° |
H49 | C31 | C32 | O14 | 115.2° | 115.2° |
H49 | C31 | C33 | S3 | 55.5° | 55.5° |
H49 | C31 | C33 | H50 | 65.0° | 65.0° |
H49 | C31 | C33 | H51 | 176.0° | 176.0° |
H49 | C31 | N10 | C30 | 6.7° | 6.7° |
H49 | C31 | C32 | N11 | 62.9° | 62.9° |
O14 | C32 | N11 | C34 | 0.0° | 0.0° |
O14 | C32 | N11 | H52 | 180.0° | 180.0° |
S3 | C33 | H50 | H51 | 118.4° | 118.4° |
C33 | S3 | S6 | C85 | 101.4° | 101.4° |
H50 | C33 | S3 | S6 | 61.9° | 61.9° |
H51 | C33 | S3 | S6 | 179.1° | 179.1° |
C34 | N11 | H52 | C32 | 180.0° | 180.0° |
N11 | C34 | C35 | C36 | 123.2° | 123.2° |
N11 | C34 | C35 | H53 | 120.3° | 120.3° |
N11 | C34 | C36 | H53 | 118.4° | 118.4° |
N11 | C34 | C35 | O15 | 140.4° | 140.4° |
N11 | C34 | C36 | C37 | 77.4° | 77.4° |
N11 | C34 | C36 | H54 | 162.0° | 162.0° |
N11 | C34 | C36 | H55 | 43.2° | 43.2° |
N11 | C34 | C35 | N13 | 41.1° | 41.1° |
H52 | N11 | C34 | C35 | 58.4° | 58.4° |
H52 | N11 | C34 | C36 | 64.0° | 64.0° |
H52 | N11 | C34 | H53 | 178.1° | 178.1° |
C35 | C34 | C36 | H53 | 116.6° | 116.6° |
C34 | C35 | O15 | N13 | 178.5° | 178.5° |
C35 | C34 | C36 | C37 | 157.6° | 157.6° |
C35 | C34 | C36 | H54 | 37.0° | 37.0° |
C35 | C34 | C36 | H55 | 81.8° | 81.8° |
C34 | C35 | N13 | C38 | 178.3° | 178.3° |
C34 | C35 | N13 | H58 | 1.7° | 1.7° |
C35 | C34 | N11 | C32 | 121.6° | 121.6° |
C36 | C34 | C35 | O15 | 96.4° | 96.4° |
C34 | C36 | C37 | H54 | 120.6° | 120.6° |
C34 | C36 | C37 | H55 | 120.6° | 120.6° |
C34 | C36 | H54 | H55 | 118.1° | 118.1° |
C34 | C36 | C37 | O16 | 179.6° | 179.6° |
C34 | C36 | C37 | N12 | 0.6° | 0.6° |
C36 | C34 | N11 | C32 | 116.0° | 116.0° |
C36 | C34 | C35 | N13 | 82.2° | 82.2° |
H53 | C34 | C35 | O15 | 20.1° | 20.1° |
H53 | C34 | C36 | C37 | 41.0° | 41.0° |
H53 | C34 | C36 | H54 | 79.6° | 79.6° |
H53 | C34 | C36 | H55 | 161.6° | 161.6° |
H53 | C34 | N11 | C32 | 1.9° | 1.9° |
H53 | C34 | C35 | N13 | 161.3° | 161.3° |
O15 | C35 | N13 | C38 | 0.3° | 0.3° |
O15 | C35 | N13 | H58 | 179.8° | 179.8° |
C37 | C36 | H54 | H55 | 118.1° | 118.1° |
C36 | C37 | O16 | N12 | 179.7° | 179.7° |
C36 | C37 | N12 | H56 | 179.7° | 179.7° |
C36 | C37 | N12 | H57 | 0.2° | 0.2° |
H54 | C36 | C37 | O16 | 59.7° | 59.7° |
H54 | C36 | C37 | N12 | 120.0° | 120.0° |
H55 | C36 | C37 | O16 | 59.1° | 59.0° |
H55 | C36 | C37 | N12 | 121.2° | 121.2° |
O16 | C37 | N12 | H56 | 0.0° | 0.0° |
O16 | C37 | N12 | H57 | 180.0° | 180.0° |
C37 | N12 | H56 | H57 | 180.0° | 180.0° |
C38 | N13 | H58 | C35 | 180.0° | 180.0° |
N13 | C38 | C39 | C41 | 124.7° | 124.7° |
N13 | C38 | C39 | H59 | 118.4° | 118.4° |
N13 | C38 | C41 | H59 | 118.9° | 118.9° |
N13 | C38 | C39 | C40 | 167.0° | 167.0° |
N13 | C38 | C39 | O17 | 70.5° | 70.5° |
N13 | C38 | C39 | H60 | 48.9° | 48.9° |
N13 | C38 | C41 | O18 | 51.1° | 51.1° |
N13 | C38 | C41 | N14 | 128.7° | 128.7° |
H58 | N13 | C38 | C39 | 39.0° | 39.0° |
H58 | N13 | C38 | C41 | 85.0° | 85.0° |
H58 | N13 | C38 | H59 | 156.7° | 156.7° |
C39 | C38 | C41 | H59 | 116.7° | 116.7° |
C38 | C39 | C40 | O17 | 123.1° | 123.1° |
C38 | C39 | C40 | H60 | 118.0° | 118.0° |
C38 | C39 | O17 | H60 | 118.5° | 118.5° |
C38 | C39 | C40 | H61 | 180.0° | 180.0° |
C38 | C39 | C40 | H62 | 60.0° | 60.0° |
C38 | C39 | C40 | H63 | 60.0° | 60.0° |
C38 | C39 | O17 | H64 | 23.5° | 23.5° |
C39 | C38 | C41 | O18 | 73.3° | 73.3° |
C39 | C38 | N13 | C35 | 141.0° | 141.0° |
C39 | C38 | C41 | N14 | 106.9° | 106.9° |
C41 | C38 | C39 | C40 | 68.3° | 68.3° |
C41 | C38 | C39 | O17 | 54.2° | 54.2° |
C41 | C38 | C39 | H60 | 173.6° | 173.6° |
C38 | C41 | O18 | N14 | 179.8° | 179.8° |
C38 | C41 | N14 | C42 | 179.9° | 179.9° |
C38 | C41 | N14 | C45 | 0.3° | 0.3° |
C41 | C38 | N13 | C35 | 95.0° | 95.0° |
H59 | C38 | C39 | C40 | 48.6° | 48.6° |
H59 | C38 | C39 | O17 | 171.1° | 171.1° |
H59 | C38 | C39 | H60 | 69.5° | 69.5° |
H59 | C38 | C41 | O18 | 170.0° | 170.0° |
H59 | C38 | N13 | C35 | 23.3° | 23.3° |
H59 | C38 | C41 | N14 | 9.8° | 9.8° |
C40 | C39 | O17 | H60 | 118.1° | 118.1° |
C39 | C40 | H61 | H62 | 120.0° | 120.0° |
C39 | C40 | H61 | H63 | 120.0° | 120.0° |
C39 | C40 | H62 | H63 | 120.0° | 120.0° |
C40 | C39 | O17 | H64 | 99.8° | 99.9° |
O17 | C39 | C40 | H61 | 56.8° | 56.8° |
O17 | C39 | C40 | H62 | 176.9° | 176.9° |
O17 | C39 | C40 | H63 | 63.1° | 63.1° |
H60 | C39 | C40 | H61 | 62.1° | 62.1° |
H60 | C39 | C40 | H62 | 58.0° | 58.0° |
H60 | C39 | C40 | H63 | 178.0° | 178.0° |
H60 | C39 | O17 | H64 | 142.0° | 142.0° |
H61 | C40 | H62 | H63 | 120.0° | 120.0° |
O18 | C41 | N14 | C42 | 0.3° | 0.3° |
O18 | C41 | N14 | C45 | 179.5° | 179.5° |
C42 | N14 | C45 | C41 | 179.8° | 179.8° |
N14 | C42 | C43 | C46 | 119.8° | 119.8° |
N14 | C42 | C43 | H65 | 118.7° | 118.7° |
N14 | C42 | C46 | H65 | 123.1° | 123.1° |
N14 | C42 | C43 | C44 | 14.4° | 14.4° |
N14 | C42 | C43 | H66 | 105.0° | 105.0° |
N14 | C42 | C43 | H67 | 133.7° | 133.7° |
C42 | N14 | C45 | C44 | 22.7° | 22.7° |
C42 | N14 | C45 | H70 | 141.6° | 141.6° |
C42 | N14 | C45 | H71 | 96.2° | 96.2° |
N14 | C42 | C46 | O19 | 52.8° | 52.8° |
N14 | C42 | C46 | N15 | 125.5° | 125.5° |
C45 | N14 | C42 | C43 | 5.4° | 5.4° |
C45 | N14 | C42 | C46 | 124.8° | 124.8° |
C45 | N14 | C42 | H65 | 112.6° | 112.6° |
N14 | C45 | C44 | C43 | 31.1° | 31.1° |
N14 | C45 | C44 | H70 | 118.9° | 118.9° |
N14 | C45 | C44 | H71 | 118.9° | 118.9° |
N14 | C45 | C44 | H68 | 150.5° | 150.5° |
N14 | C45 | C44 | H69 | 88.4° | 88.4° |
N14 | C45 | H70 | H71 | 123.1° | 123.1° |
C43 | C42 | C46 | H65 | 121.4° | 121.4° |
C42 | C43 | C44 | H66 | 119.3° | 119.3° |
C42 | C43 | C44 | H67 | 119.3° | 119.3° |
C42 | C43 | H66 | H67 | 121.8° | 121.8° |
C42 | C43 | C44 | C45 | 28.6° | 28.6° |
C42 | C43 | C44 | H68 | 148.0° | 148.0° |
C42 | C43 | C44 | H69 | 90.9° | 90.9° |
C43 | C42 | C46 | O19 | 62.7° | 62.7° |
C43 | C42 | N14 | C41 | 174.8° | 174.8° |
C43 | C42 | C46 | N15 | 119.0° | 119.0° |
C46 | C42 | C43 | C44 | 105.4° | 105.4° |
C46 | C42 | C43 | H66 | 135.2° | 135.2° |
C46 | C42 | C43 | H67 | 13.9° | 13.9° |
C42 | C46 | O19 | N15 | 178.1° | 178.1° |
C42 | C46 | N15 | C47 | 178.4° | 178.4° |
C42 | C46 | N15 | H72 | 1.6° | 1.6° |
C46 | C42 | N14 | C41 | 55.4° | 55.4° |
H65 | C42 | C43 | C44 | 133.1° | 133.1° |
H65 | C42 | C43 | H66 | 13.7° | 13.7° |
H65 | C42 | C43 | H67 | 107.6° | 107.6° |
H65 | C42 | C46 | O19 | 175.9° | 175.9° |
H65 | C42 | N14 | C41 | 67.2° | 67.2° |
H65 | C42 | C46 | N15 | 2.4° | 2.4° |
C44 | C43 | H66 | H67 | 121.9° | 121.9° |
C43 | C44 | C45 | H68 | 119.4° | 119.4° |
C43 | C44 | C45 | H69 | 119.5° | 119.5° |
C43 | C44 | H68 | H69 | 121.6° | 121.6° |
C43 | C44 | C45 | H70 | 150.0° | 150.0° |
C43 | C44 | C45 | H71 | 87.8° | 87.8° |
H66 | C43 | C44 | C45 | 90.8° | 90.8° |
H66 | C43 | C44 | H68 | 28.7° | 28.7° |
H66 | C43 | C44 | H69 | 149.7° | 149.8° |
H67 | C43 | C44 | C45 | 147.9° | 147.9° |
H67 | C43 | C44 | H68 | 92.6° | 92.6° |
H67 | C43 | C44 | H69 | 28.4° | 28.5° |
C45 | C44 | H68 | H69 | 121.6° | 121.6° |
C44 | C45 | H70 | H71 | 123.1° | 123.1° |
C44 | C45 | N14 | C41 | 157.5° | 157.5° |
H68 | C44 | C45 | H70 | 90.5° | 90.6° |
H68 | C44 | C45 | H71 | 31.6° | 31.6° |
H69 | C44 | C45 | H70 | 30.5° | 30.5° |
H69 | C44 | C45 | H71 | 152.7° | 152.7° |
H70 | C45 | N14 | C41 | 38.6° | 38.6° |
H71 | C45 | N14 | C41 | 83.6° | 83.6° |
O19 | C46 | N15 | C47 | 0.2° | 0.2° |
O19 | C46 | N15 | H72 | 179.9° | 179.8° |
C47 | N15 | H72 | C46 | 180.0° | 180.0° |
N15 | C47 | C48 | H73 | 120.2° | 120.2° |
N15 | C47 | C48 | H74 | 120.2° | 120.2° |
N15 | C47 | H73 | H74 | 119.3° | 119.3° |
N15 | C47 | C48 | O20 | 153.5° | 153.5° |
N15 | C47 | C48 | N16 | 25.8° | 25.8° |
H72 | N15 | C47 | C48 | 66.0° | 65.9° |
H72 | N15 | C47 | H73 | 173.8° | 173.8° |
H72 | N15 | C47 | H74 | 54.3° | 54.3° |
C48 | C47 | H73 | H74 | 119.3° | 119.3° |
C47 | C48 | O20 | N16 | 179.2° | 179.2° |
C47 | C48 | N16 | C49 | 179.1° | 179.1° |
C47 | C48 | N16 | H75 | 0.9° | 0.9° |
C48 | C47 | N15 | C46 | 114.1° | 114.1° |
H73 | C47 | C48 | O20 | 86.3° | 86.3° |
H73 | C47 | N15 | C46 | 6.2° | 6.2° |
H73 | C47 | C48 | N16 | 94.4° | 94.4° |
H74 | C47 | C48 | O20 | 33.2° | 33.2° |
H74 | C47 | N15 | C46 | 125.7° | 125.7° |
H74 | C47 | C48 | N16 | 146.0° | 146.0° |
O20 | C48 | N16 | C49 | 0.1° | 0.1° |
O20 | C48 | N16 | H75 | 179.9° | 179.9° |
C49 | N16 | H75 | C48 | 180.0° | 180.0° |
N16 | C49 | C50 | C51 | 123.3° | 123.3° |
N16 | C49 | C50 | H76 | 118.9° | 118.9° |
N16 | C49 | C51 | H76 | 119.4° | 119.4° |
N16 | C49 | C50 | O21 | 49.9° | 49.9° |
N16 | C49 | C51 | S4 | 68.9° | 68.9° |
N16 | C49 | C51 | H77 | 170.5° | 170.4° |
N16 | C49 | C51 | H78 | 51.7° | 51.7° |
N16 | C49 | C50 | N17 | 129.8° | 129.8° |
H75 | N16 | C49 | C50 | 91.1° | 91.1° |
H75 | N16 | C49 | C51 | 31.7° | 31.7° |
H75 | N16 | C49 | H76 | 150.5° | 150.5° |
C50 | C49 | C51 | H76 | 117.9° | 117.9° |
C49 | C50 | O21 | N17 | 179.7° | 179.7° |
C50 | C49 | C51 | S4 | 168.4° | 168.4° |
C50 | C49 | C51 | H77 | 47.8° | 47.7° |
C50 | C49 | C51 | H78 | 71.0° | 71.0° |
C49 | C50 | N17 | C52 | 179.9° | 179.9° |
C49 | C50 | N17 | H79 | 0.0° | 0.1° |
C50 | C49 | N16 | C48 | 88.9° | 88.9° |
C51 | C49 | C50 | O21 | 73.5° | 73.5° |
C49 | C51 | S4 | H77 | 120.6° | 120.6° |
C49 | C51 | S4 | H78 | 120.6° | 120.6° |
C49 | C51 | H77 | H78 | 118.1° | 118.0° |
C51 | C49 | N16 | C48 | 148.3° | 148.3° |
C51 | C49 | C50 | N17 | 106.8° | 106.8° |
C49 | C51 | S4 | S1 | 106.4° | 106.4° |
H76 | C49 | C50 | O21 | 168.8° | 168.8° |
H76 | C49 | C51 | S4 | 50.5° | 50.5° |
H76 | C49 | C51 | H77 | 70.1° | 70.1° |
H76 | C49 | C51 | H78 | 171.1° | 171.1° |
H76 | C49 | N16 | C48 | 29.5° | 29.5° |
H76 | C49 | C50 | N17 | 10.9° | 10.9° |
O21 | C50 | N17 | C52 | 0.4° | 0.4° |
O21 | C50 | N17 | H79 | 179.7° | 179.6° |
S4 | C51 | H77 | H78 | 118.1° | 118.1° |
H77 | C51 | S4 | S1 | 14.3° | 14.2° |
H78 | C51 | S4 | S1 | 133.0° | 133.0° |
C52 | N17 | H79 | C50 | 180.0° | 180.0° |
N17 | C52 | C53 | C55 | 122.2° | 122.2° |
N17 | C52 | C53 | H80 | 119.7° | 119.7° |
N17 | C52 | C55 | H80 | 119.2° | 119.2° |
N17 | C52 | C53 | C54 | 65.8° | 65.8° |
N17 | C52 | C53 | O22 | 55.4° | 55.4° |
N17 | C52 | C53 | H81 | 175.0° | 175.0° |
N17 | C52 | C55 | O23 | 24.6° | 24.6° |
N17 | C52 | C55 | N18 | 153.5° | 153.5° |
H79 | N17 | C52 | C53 | 52.2° | 52.1° |
H79 | N17 | C52 | C55 | 70.2° | 70.2° |
H79 | N17 | C52 | H80 | 171.2° | 171.1° |
C53 | C52 | C55 | H80 | 117.9° | 117.9° |
C52 | C53 | C54 | O22 | 121.3° | 121.3° |
C52 | C53 | C54 | H81 | 119.1° | 119.1° |
C52 | C53 | O22 | H81 | 118.7° | 118.7° |
C52 | C53 | C54 | H82 | 180.0° | 180.0° |
C52 | C53 | C54 | H83 | 60.0° | 60.0° |
C52 | C53 | C54 | H84 | 60.0° | 60.0° |
C52 | C53 | O22 | H85 | 180.0° | 180.0° |
C53 | C52 | C55 | O23 | 98.3° | 98.3° |
C53 | C52 | N17 | C50 | 127.9° | 127.9° |
C53 | C52 | C55 | N18 | 83.6° | 83.6° |
C55 | C52 | C53 | C54 | 56.4° | 56.4° |
C55 | C52 | C53 | O22 | 177.5° | 177.5° |
C55 | C52 | C53 | H81 | 62.9° | 62.9° |
C52 | C55 | O23 | N18 | 178.0° | 178.0° |
C52 | C55 | N18 | C56 | 178.2° | 178.2° |
C52 | C55 | N18 | H86 | 1.7° | 1.8° |
C55 | C52 | N17 | C50 | 109.8° | 109.8° |
H80 | C52 | C53 | C54 | 174.5° | 174.5° |
H80 | C52 | C53 | O22 | 64.4° | 64.4° |
H80 | C52 | C53 | H81 | 55.2° | 55.2° |
H80 | C52 | C55 | O23 | 143.8° | 143.8° |
H80 | C52 | N17 | C50 | 8.9° | 8.9° |
H80 | C52 | C55 | N18 | 34.3° | 34.3° |
C54 | C53 | O22 | H81 | 118.9° | 118.9° |
C53 | C54 | H82 | H83 | 120.0° | 120.0° |
C53 | C54 | H82 | H84 | 120.0° | 120.0° |
C53 | C54 | H83 | H84 | 120.0° | 120.0° |
C54 | C53 | O22 | H85 | 57.6° | 57.5° |
O22 | C53 | C54 | H82 | 58.8° | 58.8° |
O22 | C53 | C54 | H83 | 178.7° | 178.7° |
O22 | C53 | C54 | H84 | 61.3° | 61.3° |
H81 | C53 | C54 | H82 | 60.9° | 60.9° |
H81 | C53 | C54 | H83 | 59.1° | 59.1° |
H81 | C53 | C54 | H84 | 179.1° | 179.1° |
H81 | C53 | O22 | H85 | 61.3° | 61.3° |
H82 | C54 | H83 | H84 | 120.0° | 120.0° |
O23 | C55 | N18 | C56 | 0.2° | 0.2° |
O23 | C55 | N18 | H86 | 179.8° | 179.8° |
C56 | N18 | H86 | C55 | 180.0° | 180.0° |
N18 | C56 | C57 | C58 | 123.7° | 123.7° |
N18 | C56 | C57 | H87 | 119.9° | 119.9° |
N18 | C56 | C58 | H87 | 118.1° | 118.1° |
N18 | C56 | C57 | O24 | 37.7° | 37.7° |
N18 | C56 | C58 | S5 | 177.0° | 177.0° |
N18 | C56 | C58 | H88 | 56.4° | 56.4° |
N18 | C56 | C58 | H89 | 62.3° | 62.3° |
N18 | C56 | C57 | N19 | 143.8° | 143.8° |
H86 | N18 | C56 | C57 | 105.6° | 105.6° |
H86 | N18 | C56 | C58 | 17.6° | 17.6° |
H86 | N18 | C56 | H87 | 135.1° | 135.1° |
C57 | C56 | C58 | H87 | 116.5° | 116.5° |
C56 | C57 | O24 | N19 | 178.3° | 178.3° |
C57 | C56 | C58 | S5 | 51.6° | 51.6° |
C57 | C56 | C58 | H88 | 69.0° | 69.0° |
C57 | C56 | C58 | H89 | 172.3° | 172.3° |
C56 | C57 | N19 | C59 | 178.2° | 178.2° |
C56 | C57 | N19 | H90 | 1.8° | 1.8° |
C57 | C56 | N18 | C55 | 74.4° | 74.4° |
C58 | C56 | C57 | O24 | 86.0° | 86.0° |
C56 | C58 | S5 | H88 | 120.7° | 120.7° |
C56 | C58 | S5 | H89 | 120.7° | 120.7° |
C56 | C58 | H88 | H89 | 117.9° | 117.9° |
C58 | C56 | N18 | C55 | 162.4° | 162.4° |
C58 | C56 | C57 | N19 | 92.5° | 92.5° |
C56 | C58 | S5 | S2 | 59.7° | 59.7° |
H87 | C56 | C57 | O24 | 157.6° | 157.6° |
H87 | C56 | C58 | S5 | 64.9° | 64.9° |
H87 | C56 | C58 | H88 | 174.5° | 174.5° |
H87 | C56 | C58 | H89 | 55.8° | 55.8° |
H87 | C56 | N18 | C55 | 44.9° | 44.9° |
H87 | C56 | C57 | N19 | 23.9° | 23.9° |
O24 | C57 | N19 | C59 | 0.3° | 0.3° |
O24 | C57 | N19 | H90 | 179.7° | 179.7° |
S5 | C58 | H88 | H89 | 117.9° | 117.9° |
H88 | C58 | S5 | S2 | 179.7° | 179.7° |
H89 | C58 | S5 | S2 | 61.0° | 61.0° |
C59 | N19 | H90 | C57 | 180.0° | 180.0° |
N19 | C59 | C60 | C61 | 120.5° | 120.5° |
N19 | C59 | C60 | H91 | 118.8° | 118.8° |
N19 | C59 | C61 | H91 | 121.6° | 121.6° |
N19 | C59 | C60 | O25 | 113.0° | 113.0° |
N19 | C59 | C61 | O26 | 57.3° | 57.3° |
N19 | C59 | C61 | H92 | 177.5° | 177.5° |
N19 | C59 | C61 | H93 | 62.8° | 62.8° |
N19 | C59 | C60 | N20 | 62.4° | 62.4° |
H90 | N19 | C59 | C60 | 33.0° | 33.0° |
H90 | N19 | C59 | C61 | 87.9° | 87.9° |
H90 | N19 | C59 | H91 | 151.2° | 151.2° |
C60 | C59 | C61 | H91 | 120.7° | 120.7° |
C59 | C60 | O25 | N20 | 174.9° | 174.9° |
C60 | C59 | C61 | O26 | 175.0° | 175.0° |
C60 | C59 | C61 | H92 | 64.8° | 64.8° |
C60 | C59 | C61 | H93 | 54.8° | 54.8° |
C59 | C60 | N20 | C62 | 176.3° | 176.3° |
C59 | C60 | N20 | H95 | 3.7° | 3.7° |
C60 | C59 | N19 | C57 | 147.0° | 147.0° |
C61 | C59 | C60 | O25 | 7.5° | 7.5° |
C59 | C61 | O26 | H92 | 120.2° | 120.2° |
C59 | C61 | O26 | H93 | 120.2° | 120.2° |
C59 | C61 | H92 | H93 | 119.4° | 119.5° |
C59 | C61 | O26 | H94 | 180.0° | 180.0° |
C61 | C59 | N19 | C57 | 92.1° | 92.1° |
C61 | C59 | C60 | N20 | 177.1° | 177.1° |
H91 | C59 | C60 | O25 | 128.1° | 128.1° |
H91 | C59 | C61 | O26 | 64.3° | 64.3° |
H91 | C59 | C61 | H92 | 55.9° | 55.9° |
H91 | C59 | C61 | H93 | 175.5° | 175.5° |
H91 | C59 | N19 | C57 | 28.8° | 28.8° |
H91 | C59 | C60 | N20 | 56.4° | 56.4° |
O25 | C60 | N20 | C62 | 1.1° | 1.1° |
O25 | C60 | N20 | H95 | 178.9° | 178.9° |
O26 | C61 | H92 | H93 | 119.4° | 119.4° |
H92 | C61 | O26 | H94 | 59.8° | 59.8° |
H93 | C61 | O26 | H94 | 59.8° | 59.8° |
C62 | N20 | H95 | C60 | 180.0° | 180.0° |
N20 | C62 | C63 | C72 | 125.8° | 125.8° |
N20 | C62 | C63 | H96 | 117.4° | 117.4° |
N20 | C62 | C72 | H96 | 120.2° | 120.2° |
N20 | C62 | C63 | C64 | 156.0° | 156.0° |
N20 | C62 | C63 | H97 | 83.3° | 83.3° |
N20 | C62 | C63 | H98 | 35.5° | 35.5° |
N20 | C62 | C72 | O27 | 56.8° | 56.8° |
N20 | C62 | C72 | N22 | 122.9° | 122.9° |
H95 | N20 | C62 | C63 | 34.7° | 34.7° |
H95 | N20 | C62 | C72 | 158.1° | 158.1° |
H95 | N20 | C62 | H96 | 82.1° | 82.1° |
C63 | C62 | C72 | H96 | 116.7° | 116.7° |
C62 | C63 | C64 | H97 | 120.6° | 120.6° |
C62 | C63 | C64 | H98 | 120.6° | 120.6° |
C62 | C63 | H97 | H98 | 118.2° | 118.2° |
C62 | C63 | C64 | C65 | 97.5° | 97.5° |
C62 | C63 | C64 | C71 | 83.8° | 83.8° |
C63 | C62 | C72 | O27 | 66.3° | 66.3° |
C63 | C62 | N20 | C60 | 145.3° | 145.3° |
C63 | C62 | C72 | N22 | 114.0° | 114.0° |
C72 | C62 | C63 | C64 | 78.1° | 78.1° |
C72 | C62 | C63 | H97 | 42.5° | 42.5° |
C72 | C62 | C63 | H98 | 161.3° | 161.3° |
C62 | C72 | O27 | N22 | 179.7° | 179.7° |
C62 | C72 | N22 | C73 | 0.4° | 0.4° |
C62 | C72 | N22 | C76 | 179.7° | 179.7° |
C72 | C62 | N20 | C60 | 21.9° | 21.9° |
H96 | C62 | C63 | C64 | 38.7° | 38.7° |
H96 | C62 | C63 | H97 | 159.3° | 159.3° |
H96 | C62 | C63 | H98 | 81.9° | 81.9° |
H96 | C62 | C72 | O27 | 177.0° | 177.0° |
H96 | C62 | N20 | C60 | 97.9° | 97.9° |
H96 | C62 | C72 | N22 | 2.7° | 2.7° |
C64 | C63 | H97 | H98 | 118.2° | 118.2° |
C63 | C64 | C65 | C71 | 178.9° | 178.9° |
C63 | C64 | C65 | N21 | 179.9° | 179.9° |
C63 | C64 | C65 | H99 | 0.0° | 0.0° |
C63 | C64 | C71 | C66 | 179.8° | 179.8° |
C63 | C64 | C71 | C70 | 0.7° | 0.7° |
H97 | C63 | C64 | C65 | 141.9° | 141.9° |
H97 | C63 | C64 | C71 | 36.8° | 36.8° |
H98 | C63 | C64 | C65 | 23.1° | 23.1° |
H98 | C63 | C64 | C71 | 155.6° | 155.6° |
C64 | C65 | N21 | H99 | 180.0° | 180.0° |
C64 | C65 | N21 | C66 | 1.0° | 1.0° |
C64 | C65 | N21 | H100 | 179.0° | 179.0° |
C65 | C64 | C71 | C66 | 0.9° | 0.9° |
C65 | C64 | C71 | C70 | 179.6° | 179.6° |
C71 | C64 | C65 | N21 | 1.2° | 1.2° |
C71 | C64 | C65 | H99 | 178.9° | 178.9° |
C64 | C71 | C66 | N21 | 0.3° | 0.3° |
C64 | C71 | C66 | C67 | 179.6° | 179.6° |
C64 | C71 | C66 | C70 | 179.6° | 179.6° |
C64 | C71 | C70 | C69 | 179.6° | 179.6° |
C64 | C71 | C70 | H104 | 0.4° | 0.4° |
C65 | N21 | C66 | H100 | 180.0° | 180.0° |
C65 | N21 | C66 | C67 | 179.7° | 179.7° |
C65 | N21 | C66 | C71 | 0.4° | 0.4° |
H99 | C65 | N21 | C66 | 179.0° | 179.0° |
H99 | C65 | N21 | H100 | 0.9° | 0.9° |
N21 | C66 | C67 | C71 | 179.9° | 179.9° |
N21 | C66 | C67 | C68 | 179.9° | 179.9° |
N21 | C66 | C67 | H101 | 0.1° | 0.0° |
N21 | C66 | C71 | C70 | 179.9° | 179.9° |
H100 | N21 | C66 | C67 | 0.3° | 0.3° |
H100 | N21 | C66 | C71 | 179.6° | 179.6° |
C66 | C67 | C68 | H101 | 180.0° | 180.0° |
C66 | C67 | C68 | C69 | 0.0° | 0.0° |
C66 | C67 | C68 | H102 | 180.0° | 180.0° |
C67 | C66 | C71 | C70 | 0.0° | 0.0° |
C71 | C66 | C67 | C68 | 0.0° | 0.0° |
C71 | C66 | C67 | H101 | 180.0° | 179.9° |
C66 | C71 | C70 | C69 | 0.1° | 0.1° |
C66 | C71 | C70 | H104 | 179.9° | 179.9° |
C67 | C68 | C69 | H102 | 180.0° | 180.0° |
C67 | C68 | C69 | C70 | 0.1° | 0.1° |
C67 | C68 | C69 | H103 | 179.9° | 179.9° |
H101 | C67 | C68 | C69 | 180.0° | 180.0° |
H101 | C67 | C68 | H102 | 0.0° | 0.0° |
C68 | C69 | C70 | H103 | 180.0° | 180.0° |
C68 | C69 | C70 | C71 | 0.2° | 0.2° |
C68 | C69 | C70 | H104 | 179.8° | 179.8° |
H102 | C68 | C69 | C70 | 179.9° | 179.9° |
H102 | C68 | C69 | H103 | 0.1° | 0.1° |
C69 | C70 | C71 | H104 | 180.0° | 180.0° |
H103 | C69 | C70 | C71 | 179.8° | 179.8° |
H103 | C69 | C70 | H104 | 0.2° | 0.2° |
O27 | C72 | N22 | C73 | 179.9° | 179.9° |
O27 | C72 | N22 | C76 | 0.6° | 0.6° |
C73 | N22 | C76 | C72 | 179.3° | 179.3° |
N22 | C73 | C74 | C77 | 120.8° | 120.8° |
N22 | C73 | C74 | H105 | 118.0° | 118.0° |
N22 | C73 | C77 | H105 | 125.8° | 125.8° |
N22 | C73 | C74 | C75 | 25.2° | 25.2° |
N22 | C73 | C74 | H106 | 94.3° | 94.3° |
N22 | C73 | C74 | H107 | 144.6° | 144.6° |
C73 | N22 | C76 | C75 | 31.4° | 31.4° |
C73 | N22 | C76 | H110 | 87.5° | 87.5° |
C73 | N22 | C76 | H111 | 150.3° | 150.3° |
N22 | C73 | C77 | O28 | 154.3° | 154.3° |
N22 | C73 | C77 | N23 | 25.4° | 25.4° |
C76 | N22 | C73 | C74 | 35.8° | 35.8° |
C76 | N22 | C73 | C77 | 81.7° | 81.7° |
C76 | N22 | C73 | H105 | 153.1° | 153.1° |
N22 | C76 | C75 | C74 | 13.4° | 13.4° |
N22 | C76 | C75 | H110 | 118.9° | 118.9° |
N22 | C76 | C75 | H111 | 118.9° | 118.9° |
N22 | C76 | C75 | H108 | 106.3° | 106.3° |
N22 | C76 | C75 | H109 | 133.1° | 133.1° |
N22 | C76 | H110 | H111 | 123.1° | 123.1° |
C74 | C73 | C77 | H105 | 121.3° | 121.3° |
C73 | C74 | C75 | H106 | 119.5° | 119.5° |
C73 | C74 | C75 | H107 | 119.4° | 119.4° |
C73 | C74 | H106 | H107 | 121.6° | 121.6° |
C73 | C74 | C75 | C76 | 7.4° | 7.4° |
C73 | C74 | C75 | H108 | 127.1° | 127.1° |
C73 | C74 | C75 | H109 | 112.3° | 112.3° |
C74 | C73 | C77 | O28 | 41.4° | 41.4° |
C74 | C73 | N22 | C72 | 143.5° | 143.5° |
C74 | C73 | C77 | N23 | 138.4° | 138.4° |
C77 | C73 | C74 | C75 | 95.6° | 95.6° |
C77 | C73 | C74 | H106 | 144.9° | 144.9° |
C77 | C73 | C74 | H107 | 23.8° | 23.8° |
C73 | C77 | O28 | N23 | 179.8° | 179.8° |
C73 | C77 | N23 | C78 | 179.1° | 179.1° |
C73 | C77 | N23 | H112 | 0.9° | 0.9° |
C77 | C73 | N22 | C72 | 98.9° | 98.9° |
H105 | C73 | C74 | C75 | 143.1° | 143.1° |
H105 | C73 | C74 | H106 | 23.7° | 23.7° |
H105 | C73 | C74 | H107 | 97.4° | 97.4° |
H105 | C73 | C77 | O28 | 79.9° | 79.9° |
H105 | C73 | N22 | C72 | 26.3° | 26.3° |
H105 | C73 | C77 | N23 | 100.4° | 100.4° |
C75 | C74 | H106 | H107 | 121.6° | 121.6° |
C74 | C75 | C76 | H108 | 119.7° | 119.7° |
C74 | C75 | C76 | H109 | 119.7° | 119.7° |
C74 | C75 | H108 | H109 | 120.8° | 120.8° |
C74 | C75 | C76 | H110 | 105.5° | 105.5° |
C74 | C75 | C76 | H111 | 132.3° | 132.3° |
H106 | C74 | C75 | C76 | 112.0° | 112.0° |
H106 | C74 | C75 | H108 | 7.7° | 7.7° |
H106 | C74 | C75 | H109 | 128.2° | 128.2° |
H107 | C74 | C75 | C76 | 126.9° | 126.9° |
H107 | C74 | C75 | H108 | 113.4° | 113.4° |
H107 | C74 | C75 | H109 | 7.1° | 7.1° |
C76 | C75 | H108 | H109 | 120.9° | 120.9° |
C75 | C76 | H110 | H111 | 123.1° | 123.1° |
C75 | C76 | N22 | C72 | 147.9° | 147.9° |
H108 | C75 | C76 | H110 | 134.8° | 134.8° |
H108 | C75 | C76 | H111 | 12.6° | 12.6° |
H109 | C75 | C76 | H110 | 14.2° | 14.2° |
H109 | C75 | C76 | H111 | 108.0° | 108.0° |
H110 | C76 | N22 | C72 | 93.1° | 93.1° |
H111 | C76 | N22 | C72 | 29.0° | 29.0° |
O28 | C77 | N23 | C78 | 0.7° | 0.7° |
O28 | C77 | N23 | H112 | 179.3° | 179.3° |
C78 | N23 | H112 | C77 | 180.0° | 180.0° |
N23 | C78 | C79 | C82 | 124.7° | 124.7° |
N23 | C78 | C79 | H113 | 118.9° | 118.9° |
N23 | C78 | C82 | H113 | 119.8° | 119.7° |
N23 | C78 | C79 | C80 | 54.4° | 54.4° |
N23 | C78 | C79 | C81 | 69.1° | 69.1° |
N23 | C78 | C79 | H114 | 172.7° | 172.7° |
N23 | C78 | C82 | O29 | 31.4° | 31.4° |
N23 | C78 | C82 | N24 | 148.7° | 148.7° |
H112 | N23 | C78 | C79 | 69.2° | 69.1° |
H112 | N23 | C78 | C82 | 53.3° | 53.3° |
H112 | N23 | C78 | H113 | 172.6° | 172.6° |
C79 | C78 | C82 | H113 | 116.2° | 116.2° |
C78 | C79 | C80 | C81 | 123.4° | 123.4° |
C78 | C79 | C80 | H114 | 118.2° | 118.2° |
C78 | C79 | C81 | H114 | 117.9° | 117.9° |
C78 | C79 | C80 | H115 | 180.0° | 180.0° |
C78 | C79 | C80 | H116 | 60.0° | 60.0° |
C78 | C79 | C80 | H117 | 60.0° | 60.0° |
C78 | C79 | C81 | H118 | 180.0° | 180.0° |
C78 | C79 | C81 | H119 | 60.0° | 60.0° |
C78 | C79 | C81 | H120 | 60.0° | 60.0° |
C79 | C78 | C82 | O29 | 92.7° | 92.7° |
C79 | C78 | N23 | C77 | 110.9° | 110.9° |
C79 | C78 | C82 | N24 | 87.3° | 87.3° |
C82 | C78 | C79 | C80 | 70.4° | 70.4° |
C82 | C78 | C79 | C81 | 166.1° | 166.1° |
C82 | C78 | C79 | H114 | 48.0° | 48.0° |
C78 | C82 | O29 | N24 | 180.0° | 180.0° |
C78 | C82 | N24 | C83 | 179.4° | 179.4° |
C78 | C82 | N24 | H121 | 0.6° | 0.6° |
C82 | C78 | N23 | C77 | 126.7° | 126.7° |
H113 | C78 | C79 | C80 | 173.3° | 173.2° |
H113 | C78 | C79 | C81 | 49.8° | 49.7° |
H113 | C78 | C79 | H114 | 68.3° | 68.4° |
H113 | C78 | C82 | O29 | 151.1° | 151.1° |
H113 | C78 | N23 | C77 | 7.4° | 7.4° |
H113 | C78 | C82 | N24 | 28.9° | 29.0° |
C80 | C79 | C81 | H114 | 118.4° | 118.4° |
C79 | C80 | H115 | H116 | 120.0° | 120.0° |
C79 | C80 | H115 | H117 | 120.0° | 120.0° |
C79 | C80 | H116 | H117 | 120.0° | 120.0° |
C80 | C79 | C81 | H118 | 56.3° | 56.3° |
C80 | C79 | C81 | H119 | 63.7° | 63.7° |
C80 | C79 | C81 | H120 | 176.3° | 176.3° |
C81 | C79 | C80 | H115 | 56.5° | 56.5° |
C81 | C79 | C80 | H116 | 176.6° | 176.6° |
C81 | C79 | C80 | H117 | 63.4° | 63.4° |
C79 | C81 | H118 | H119 | 120.0° | 120.0° |
C79 | C81 | H118 | H120 | 120.0° | 120.0° |
C79 | C81 | H119 | H120 | 120.0° | 120.0° |
H114 | C79 | C80 | H115 | 61.8° | 61.8° |
H114 | C79 | C80 | H116 | 58.2° | 58.2° |
H114 | C79 | C80 | H117 | 178.2° | 178.2° |
H114 | C79 | C81 | H118 | 62.1° | 62.1° |
H114 | C79 | C81 | H119 | 177.9° | 177.9° |
H114 | C79 | C81 | H120 | 57.9° | 57.9° |
H115 | C80 | H116 | H117 | 120.0° | 120.0° |
H118 | C81 | H119 | H120 | 120.0° | 120.0° |
O29 | C82 | N24 | C83 | 0.6° | 0.6° |
O29 | C82 | N24 | H121 | 179.5° | 179.5° |
C83 | N24 | H121 | C82 | 180.0° | 180.0° |
N24 | C83 | C84 | C85 | 121.8° | 121.8° |
N24 | C83 | C84 | H122 | 120.2° | 120.2° |
N24 | C83 | C85 | H122 | 119.4° | 119.4° |
N24 | C83 | C84 | O30 | 43.5° | 43.5° |
N24 | C83 | C85 | S6 | 70.0° | 70.0° |
N24 | C83 | C85 | H123 | 169.3° | 169.3° |
N24 | C83 | C85 | H124 | 50.6° | 50.6° |
N24 | C83 | C84 | N25 | 136.9° | 136.9° |
H121 | N24 | C83 | C84 | 88.5° | 88.5° |
H121 | N24 | C83 | C85 | 33.0° | 33.0° |
H121 | N24 | C83 | H122 | 151.8° | 151.8° |
C84 | C83 | C85 | H122 | 118.1° | 118.1° |
C83 | C84 | O30 | N25 | 179.5° | 179.5° |
C84 | C83 | C85 | S6 | 167.4° | 167.4° |
C84 | C83 | C85 | H123 | 46.8° | 46.8° |
C84 | C83 | C85 | H124 | 71.9° | 71.9° |
C83 | C84 | N25 | C86 | 179.7° | 179.7° |
C83 | C84 | N25 | H125 | 0.3° | 0.3° |
C84 | C83 | N24 | C82 | 91.5° | 91.5° |
C85 | C83 | C84 | O30 | 78.3° | 78.3° |
C83 | C85 | S6 | H123 | 120.6° | 120.6° |
C83 | C85 | S6 | H124 | 120.7° | 120.7° |
C83 | C85 | H123 | H124 | 118.0° | 118.0° |
C85 | C83 | N24 | C82 | 147.1° | 147.1° |
C85 | C83 | C84 | N25 | 101.3° | 101.3° |
C83 | C85 | S6 | S3 | 102.1° | 102.1° |
H122 | C83 | C84 | O30 | 163.7° | 163.7° |
H122 | C83 | C85 | S6 | 49.4° | 49.4° |
H122 | C83 | C85 | H123 | 71.3° | 71.3° |
H122 | C83 | C85 | H124 | 170.0° | 170.0° |
H122 | C83 | N24 | C82 | 28.2° | 28.2° |
H122 | C83 | C84 | N25 | 16.8° | 16.8° |
O30 | C84 | N25 | C86 | 0.1° | 0.1° |
O30 | C84 | N25 | H125 | 179.9° | 179.9° |
S6 | C85 | H123 | H124 | 118.1° | 118.1° |
H123 | C85 | S6 | S3 | 18.6° | 18.6° |
H124 | C85 | S6 | S3 | 137.3° | 137.3° |
C86 | N25 | H125 | C84 | 180.0° | 180.0° |
N25 | C86 | C87 | C89 | 123.5° | 123.5° |
N25 | C86 | C87 | H126 | 119.9° | 119.9° |
N25 | C86 | C89 | H126 | 119.9° | 119.9° |
N25 | C86 | C87 | C88 | 67.3° | 67.3° |
N25 | C86 | C87 | O31 | 54.3° | 54.3° |
N25 | C86 | C87 | H127 | 173.8° | 173.8° |
N25 | C86 | C89 | O32 | 25.2° | 25.2° |
N25 | C86 | C89 | N26 | 156.1° | 156.1° |
H125 | N25 | C86 | C87 | 66.6° | 66.6° |
H125 | N25 | C86 | C89 | 54.9° | 54.9° |
H125 | N25 | C86 | H126 | 174.2° | 174.2° |
C87 | C86 | C89 | H126 | 116.4° | 116.4° |
C86 | C87 | C88 | O31 | 121.9° | 121.9° |
C86 | C87 | C88 | H127 | 118.8° | 118.8° |
C86 | C87 | O31 | H127 | 118.6° | 118.6° |
C86 | C87 | C88 | H128 | 180.0° | 180.0° |
C86 | C87 | C88 | H129 | 60.0° | 60.0° |
C86 | C87 | C88 | H130 | 60.0° | 60.0° |
C86 | C87 | O31 | H131 | 180.0° | 180.0° |
C87 | C86 | C89 | O32 | 98.5° | 98.5° |
C87 | C86 | N25 | C84 | 113.4° | 113.4° |
C87 | C86 | C89 | N26 | 80.2° | 80.2° |
C89 | C86 | C87 | C88 | 56.2° | 56.2° |
C89 | C86 | C87 | O31 | 177.8° | 177.8° |
C89 | C86 | C87 | H127 | 62.7° | 62.7° |
C86 | C89 | O32 | N26 | 178.6° | 178.6° |
C86 | C89 | N26 | C90 | 178.7° | 178.7° |
C86 | C89 | N26 | H132 | 1.4° | 1.3° |
C89 | C86 | N25 | C84 | 125.1° | 125.1° |
H126 | C86 | C87 | C88 | 172.8° | 172.8° |
H126 | C86 | C87 | O31 | 65.6° | 65.6° |
H126 | C86 | C87 | H127 | 53.9° | 53.9° |
H126 | C86 | C89 | O32 | 145.1° | 145.1° |
H126 | C86 | N25 | C84 | 5.8° | 5.8° |
H126 | C86 | C89 | N26 | 36.2° | 36.2° |
C88 | C87 | O31 | H127 | 118.6° | 118.6° |
C87 | C88 | H128 | H129 | 120.0° | 120.0° |
C87 | C88 | H128 | H130 | 120.0° | 120.0° |
C87 | C88 | H129 | H130 | 120.0° | 120.0° |
C88 | C87 | O31 | H131 | 57.2° | 57.2° |
O31 | C87 | C88 | H128 | 58.1° | 58.1° |
O31 | C87 | C88 | H129 | 178.1° | 178.1° |
O31 | C87 | C88 | H130 | 61.9° | 61.9° |
H127 | C87 | C88 | H128 | 61.2° | 61.2° |
H127 | C87 | C88 | H129 | 58.8° | 58.8° |
H127 | C87 | C88 | H130 | 178.8° | 178.8° |
H127 | C87 | O31 | H131 | 61.3° | 61.3° |
H128 | C88 | H129 | H130 | 119.9° | 119.9° |
O32 | C89 | N26 | C90 | 0.0° | 0.0° |
O32 | C89 | N26 | H132 | 180.0° | 179.9° |
C90 | N26 | H132 | C89 | 180.0° | 180.0° |
N26 | C90 | C91 | C95 | 119.4° | 119.4° |
N26 | C90 | C91 | H133 | 120.5° | 120.4° |
N26 | C90 | C95 | H133 | 119.7° | 119.7° |
N26 | C90 | C91 | C92 | 173.6° | 173.6° |
N26 | C90 | C91 | H134 | 65.7° | 65.7° |
N26 | C90 | C91 | H135 | 52.8° | 52.8° |
N26 | C90 | C95 | O33 | 56.5° | 56.5° |
N26 | C90 | C95 | N30 | 120.5° | 120.5° |
H132 | N26 | C90 | C91 | 51.6° | 51.6° |
H132 | N26 | C90 | C95 | 69.4° | 69.4° |
H132 | N26 | C90 | H133 | 171.4° | 171.4° |
C91 | C90 | C95 | H133 | 120.0° | 120.0° |
C90 | C91 | C92 | H134 | 120.8° | 120.8° |
C90 | C91 | C92 | H135 | 120.7° | 120.7° |
C90 | C91 | H134 | H135 | 117.7° | 117.7° |
C90 | C91 | C92 | C93 | 165.9° | 165.9° |
C90 | C91 | C92 | H136 | 45.6° | 45.7° |
C90 | C91 | C92 | H137 | 73.8° | 73.8° |
C91 | C90 | C95 | O33 | 63.8° | 63.8° |
C91 | C90 | N26 | C89 | 128.4° | 128.4° |
C91 | C90 | C95 | N30 | 119.2° | 119.2° |
C95 | C90 | C91 | C92 | 67.0° | 67.0° |
C95 | C90 | C91 | H134 | 53.7° | 53.7° |
C95 | C90 | C91 | H135 | 172.3° | 172.3° |
C90 | C95 | O33 | N30 | 176.7° | 176.7° |
C90 | C95 | N30 | C96 | 177.5° | 177.5° |
C90 | C95 | N30 | H145 | 2.6° | 2.6° |
C95 | C90 | N26 | C89 | 110.6° | 110.6° |
H133 | C90 | C91 | C92 | 53.1° | 53.1° |
H133 | C90 | C91 | H134 | 173.8° | 173.9° |
H133 | C90 | C91 | H135 | 67.6° | 67.6° |
H133 | C90 | C95 | O33 | 176.2° | 176.2° |
H133 | C90 | N26 | C89 | 8.6° | 8.6° |
H133 | C90 | C95 | N30 | 0.8° | 0.8° |
C92 | C91 | H134 | H135 | 117.7° | 117.7° |
C91 | C92 | C93 | H136 | 120.2° | 120.2° |
C91 | C92 | C93 | H137 | 120.2° | 120.2° |
C91 | C92 | H136 | H137 | 119.3° | 119.3° |
C91 | C92 | C93 | N27 | 71.7° | 71.7° |
C91 | C92 | C93 | H138 | 167.9° | 167.9° |
C91 | C92 | C93 | H139 | 48.6° | 48.6° |
H134 | C91 | C92 | C93 | 73.3° | 73.3° |
H134 | C91 | C92 | H136 | 166.4° | 166.4° |
H134 | C91 | C92 | H137 | 46.9° | 46.9° |
H135 | C91 | C92 | C93 | 45.2° | 45.2° |
H135 | C91 | C92 | H136 | 75.1° | 75.0° |
H135 | C91 | C92 | H137 | 165.4° | 165.4° |
C93 | C92 | H136 | H137 | 119.3° | 119.3° |
C92 | C93 | N27 | H138 | 120.4° | 120.4° |
C92 | C93 | N27 | H139 | 120.4° | 120.4° |
C92 | C93 | H138 | H139 | 118.9° | 118.9° |
C92 | C93 | N27 | C94 | 83.5° | 83.5° |
C92 | C93 | N27 | H140 | 96.5° | 96.5° |
H136 | C92 | C93 | N27 | 48.5° | 48.5° |
H136 | C92 | C93 | H138 | 71.8° | 71.9° |
H136 | C92 | C93 | H139 | 168.9° | 168.8° |
H137 | C92 | C93 | N27 | 168.0° | 168.0° |
H137 | C92 | C93 | H138 | 47.7° | 47.7° |
H137 | C92 | C93 | H139 | 71.6° | 71.6° |
N27 | C93 | H138 | H139 | 118.9° | 118.9° |
C93 | N27 | C94 | H140 | 180.0° | 180.0° |
C93 | N27 | C94 | N28 | 6.5° | 6.5° |
C93 | N27 | C94 | N29 | 174.4° | 174.4° |
H138 | C93 | N27 | C94 | 36.9° | 36.9° |
H138 | C93 | N27 | H140 | 143.1° | 143.1° |
H139 | C93 | N27 | C94 | 156.2° | 156.2° |
H139 | C93 | N27 | H140 | 23.8° | 23.8° |
N27 | C94 | N28 | N29 | 179.1° | 179.1° |
N27 | C94 | N28 | H141 | 179.1° | 179.1° |
N27 | C94 | N28 | H142 | 0.9° | 0.9° |
N27 | C94 | N29 | H143 | 179.1° | 179.1° |
N27 | C94 | N29 | H144 | 0.9° | 0.9° |
H140 | N27 | C94 | N28 | 173.5° | 173.5° |
H140 | N27 | C94 | N29 | 5.6° | 5.6° |
C94 | N28 | H141 | H142 | 180.0° | 180.0° |
N28 | C94 | N29 | H143 | 0.0° | 0.0° |
N28 | C94 | N29 | H144 | 180.0° | 180.0° |
N29 | C94 | N28 | H141 | 0.0° | 0.0° |
N29 | C94 | N28 | H142 | 180.0° | 180.0° |
C94 | N29 | H143 | H144 | 180.0° | 180.0° |
O33 | C95 | N30 | C96 | 0.6° | 0.6° |
O33 | C95 | N30 | H145 | 179.4° | 179.4° |
C96 | N30 | H145 | C95 | 180.0° | 180.0° |
N30 | C96 | C97 | C98 | 127.5° | 127.5° |
N30 | C96 | C97 | H146 | 117.2° | 117.2° |
N30 | C96 | C98 | H146 | 117.5° | 117.5° |
N30 | C96 | C97 | O34 | 164.5° | 164.5° |
N30 | C96 | C98 | C99 | 64.4° | 64.4° |
N30 | C96 | C98 | H147 | 56.5° | 56.5° |
N30 | C96 | C98 | H148 | 174.8° | 174.8° |
N30 | C96 | C97 | N32 | 16.9° | 16.9° |
H145 | N30 | C96 | C97 | 130.5° | 130.5° |
H145 | N30 | C96 | C98 | 103.2° | 103.2° |
H145 | N30 | C96 | H146 | 13.7° | 13.7° |
C97 | C96 | C98 | H146 | 115.4° | 115.4° |
C96 | C97 | O34 | N32 | 178.5° | 178.5° |
C97 | C96 | C98 | C99 | 62.8° | 62.8° |
C97 | C96 | C98 | H147 | 176.4° | 176.4° |
C97 | C96 | C98 | H148 | 58.0° | 58.0° |
C96 | C97 | N32 | C100 | 178.5° | 178.5° |
C96 | C97 | N32 | H151 | 1.5° | 1.5° |
C97 | C96 | N30 | C95 | 49.5° | 49.5° |
C98 | C96 | C97 | O34 | 37.0° | 37.0° |
C96 | C98 | C99 | H147 | 120.8° | 120.8° |
C96 | C98 | C99 | H148 | 120.8° | 120.8° |
C96 | C98 | H147 | H148 | 117.4° | 117.4° |
C96 | C98 | C99 | O35 | 85.5° | 85.5° |
C96 | C98 | C99 | N31 | 94.3° | 94.3° |
C98 | C96 | N30 | C95 | 76.8° | 76.8° |
C98 | C96 | C97 | N32 | 144.4° | 144.4° |
H146 | C96 | C97 | O34 | 78.3° | 78.3° |
H146 | C96 | C98 | C99 | 178.2° | 178.2° |
H146 | C96 | C98 | H147 | 61.0° | 61.0° |
H146 | C96 | C98 | H148 | 57.3° | 57.3° |
H146 | C96 | N30 | C95 | 166.3° | 166.3° |
H146 | C96 | C97 | N32 | 100.3° | 100.3° |
O34 | C97 | N32 | C100 | 0.0° | 0.0° |
O34 | C97 | N32 | H151 | 180.0° | 180.0° |
C99 | C98 | H147 | H148 | 117.4° | 117.4° |
C98 | C99 | O35 | N31 | 179.8° | 179.8° |
C98 | C99 | N31 | H149 | 179.8° | 179.8° |
C98 | C99 | N31 | H150 | 0.2° | 0.2° |
H147 | C98 | C99 | O35 | 35.3° | 35.3° |
H147 | C98 | C99 | N31 | 144.9° | 144.9° |
H148 | C98 | C99 | O35 | 153.6° | 153.6° |
H148 | C98 | C99 | N31 | 26.5° | 26.5° |
O35 | C99 | N31 | H149 | 0.0° | 0.0° |
O35 | C99 | N31 | H150 | 180.0° | 180.0° |
C99 | N31 | H149 | H150 | 180.0° | 180.0° |
C100 | N32 | H151 | C97 | 180.0° | 180.0° |
N32 | C100 | C101 | H152 | 120.7° | 120.7° |
N32 | C100 | C101 | H153 | 120.7° | 120.7° |
N32 | C100 | H152 | H153 | 117.9° | 117.9° |
N32 | C100 | C101 | O36 | 169.9° | 169.9° |
N32 | C100 | C101 | N33 | 10.4° | 10.4° |
H151 | N32 | C100 | C101 | 62.3° | 62.3° |
H151 | N32 | C100 | H152 | 177.0° | 177.0° |
H151 | N32 | C100 | H153 | 58.4° | 58.4° |
C101 | C100 | H152 | H153 | 117.9° | 117.9° |
C100 | C101 | O36 | N33 | 179.7° | 179.7° |
C100 | C101 | N33 | C102 | 179.6° | 179.6° |
C100 | C101 | N33 | H154 | 0.3° | 0.3° |
C101 | C100 | N32 | C97 | 117.7° | 117.7° |
H152 | C100 | C101 | O36 | 69.4° | 69.4° |
H152 | C100 | N32 | C97 | 3.0° | 3.0° |
H152 | C100 | C101 | N33 | 110.3° | 110.3° |
H153 | C100 | C101 | O36 | 49.2° | 49.2° |
H153 | C100 | N32 | C97 | 121.6° | 121.6° |
H153 | C100 | C101 | N33 | 131.1° | 131.1° |
O36 | C101 | N33 | C102 | 0.1° | 0.1° |
O36 | C101 | N33 | H154 | 179.9° | 179.9° |
C102 | N33 | H154 | C101 | 180.0° | 180.0° |
N33 | C102 | C103 | C107 | 121.6° | 121.6° |
N33 | C102 | C103 | H155 | 120.0° | 120.0° |
N33 | C102 | C107 | H155 | 120.3° | 120.3° |
N33 | C102 | C103 | C104 | 52.1° | 52.1° |
N33 | C102 | C103 | H156 | 173.0° | 173.0° |
N33 | C102 | C103 | H157 | 68.7° | 68.7° |
N33 | C102 | C107 | O37 | 55.8° | 55.8° |
N33 | C102 | C107 | N34 | 124.1° | 124.1° |
H154 | N33 | C102 | C103 | 47.2° | 47.2° |
H154 | N33 | C102 | C107 | 73.4° | 73.4° |
H154 | N33 | C102 | H155 | 166.7° | 166.7° |
C103 | C102 | C107 | H155 | 118.3° | 118.3° |
C102 | C103 | C104 | H156 | 120.9° | 120.9° |
C102 | C103 | C104 | H157 | 120.8° | 120.8° |
C102 | C103 | H156 | H157 | 117.4° | 117.4° |
C102 | C103 | C104 | C105 | 63.4° | 63.4° |
C102 | C103 | C104 | C106 | 173.7° | 173.7° |
C102 | C103 | C104 | H158 | 55.2° | 55.2° |
C103 | C102 | C107 | O37 | 65.6° | 65.6° |
C103 | C102 | N33 | C101 | 132.7° | 132.7° |
C103 | C102 | C107 | N34 | 114.5° | 114.5° |
C107 | C102 | C103 | C104 | 173.7° | 173.7° |
C107 | C102 | C103 | H156 | 65.5° | 65.5° |
C107 | C102 | C103 | H157 | 52.9° | 52.9° |
C102 | C107 | O37 | N34 | 179.9° | 179.9° |
C102 | C107 | N34 | C108 | 179.9° | 179.9° |
C102 | C107 | N34 | C111 | 0.3° | 0.3° |
C107 | C102 | N33 | C101 | 106.6° | 106.6° |
H155 | C102 | C103 | C104 | 67.9° | 67.9° |
H155 | C102 | C103 | H156 | 52.9° | 52.9° |
H155 | C102 | C103 | H157 | 171.3° | 171.3° |
H155 | C102 | C107 | O37 | 176.1° | 176.1° |
H155 | C102 | N33 | C101 | 13.3° | 13.3° |
H155 | C102 | C107 | N34 | 3.8° | 3.8° |
C104 | C103 | H156 | H157 | 117.4° | 117.4° |
C103 | C104 | C105 | C106 | 122.8° | 122.8° |
C103 | C104 | C105 | H158 | 118.5° | 118.5° |
C103 | C104 | C106 | H158 | 118.4° | 118.4° |
C103 | C104 | C105 | H159 | 180.0° | 180.0° |
C103 | C104 | C105 | H160 | 60.0° | 60.0° |
C103 | C104 | C105 | H161 | 60.0° | 60.0° |
C103 | C104 | C106 | H162 | 180.0° | 180.0° |
C103 | C104 | C106 | H163 | 60.0° | 60.0° |
C103 | C104 | C106 | H164 | 60.0° | 60.0° |
H156 | C103 | C104 | C105 | 57.4° | 57.4° |
H156 | C103 | C104 | C106 | 65.5° | 65.5° |
H156 | C103 | C104 | H158 | 176.0° | 176.0° |
H157 | C103 | C104 | C105 | 175.8° | 175.8° |
H157 | C103 | C104 | C106 | 52.8° | 52.8° |
H157 | C103 | C104 | H158 | 65.6° | 65.6° |
C105 | C104 | C106 | H158 | 118.6° | 118.6° |
C104 | C105 | H159 | H160 | 120.0° | 120.0° |
C104 | C105 | H159 | H161 | 120.0° | 120.0° |
C104 | C105 | H160 | H161 | 120.0° | 120.0° |
C105 | C104 | C106 | H162 | 57.0° | 57.0° |
C105 | C104 | C106 | H163 | 63.0° | 63.0° |
C105 | C104 | C106 | H164 | 177.0° | 177.0° |
C106 | C104 | C105 | H159 | 57.2° | 57.2° |
C106 | C104 | C105 | H160 | 177.2° | 177.2° |
C106 | C104 | C105 | H161 | 62.8° | 62.8° |
C104 | C106 | H162 | H163 | 120.0° | 120.0° |
C104 | C106 | H162 | H164 | 120.0° | 120.0° |
C104 | C106 | H163 | H164 | 120.0° | 120.0° |
H158 | C104 | C105 | H159 | 61.4° | 61.4° |
H158 | C104 | C105 | H160 | 58.6° | 58.6° |
H158 | C104 | C105 | H161 | 178.5° | 178.5° |
H158 | C104 | C106 | H162 | 61.6° | 61.6° |
H158 | C104 | C106 | H163 | 178.4° | 178.4° |
H158 | C104 | C106 | H164 | 58.4° | 58.4° |
H159 | C105 | H160 | H161 | 120.0° | 120.0° |
H162 | C106 | H163 | H164 | 119.9° | 119.9° |
O37 | C107 | N34 | C108 | 0.0° | 0.0° |
O37 | C107 | N34 | C111 | 179.6° | 179.6° |
C108 | N34 | C111 | C107 | 179.7° | 179.7° |
N34 | C108 | C109 | C112 | 120.8° | 120.8° |
N34 | C108 | C109 | H165 | 118.1° | 118.1° |
N34 | C108 | C112 | H165 | 123.0° | 123.0° |
N34 | C108 | C109 | C110 | 5.7° | 5.7° |
N34 | C108 | C109 | H166 | 125.1° | 125.1° |
N34 | C108 | C109 | H167 | 113.7° | 113.7° |
C108 | N34 | C111 | C110 | 28.1° | 28.1° |
C108 | N34 | C111 | H170 | 90.7° | 90.7° |
C108 | N34 | C111 | H171 | 147.0° | 147.0° |
N34 | C108 | C112 | O38 | 129.5° | 129.5° |
N34 | C108 | C112 | N35 | 50.4° | 50.4° |
C111 | N34 | C108 | C109 | 14.3° | 14.3° |
C111 | N34 | C108 | C112 | 105.8° | 105.8° |
C111 | N34 | C108 | H165 | 131.7° | 131.7° |
N34 | C111 | C110 | C109 | 30.7° | 30.7° |
N34 | C111 | C110 | H170 | 118.8° | 118.8° |
N34 | C111 | C110 | H171 | 118.9° | 118.9° |
N34 | C111 | C110 | H168 | 88.9° | 88.9° |
N34 | C111 | C110 | H169 | 150.2° | 150.2° |
N34 | C111 | H170 | H171 | 123.3° | 123.3° |
C109 | C108 | C112 | H165 | 120.9° | 120.9° |
C108 | C109 | C110 | H166 | 119.5° | 119.5° |
C108 | C109 | C110 | H167 | 119.4° | 119.4° |
C108 | C109 | H166 | H167 | 121.6° | 121.6° |
C108 | C109 | C110 | C111 | 22.8° | 22.8° |
C108 | C109 | C110 | H168 | 96.7° | 96.7° |
C108 | C109 | C110 | H169 | 142.4° | 142.4° |
C109 | C108 | C112 | O38 | 13.4° | 13.4° |
C109 | C108 | N34 | C107 | 165.4° | 165.4° |
C109 | C108 | C112 | N35 | 166.5° | 166.5° |
C112 | C108 | C109 | C110 | 126.5° | 126.5° |
C112 | C108 | C109 | H166 | 114.1° | 114.1° |
C112 | C108 | C109 | H167 | 7.1° | 7.1° |
C108 | C112 | O38 | N35 | 179.9° | 179.9° |
C108 | C112 | N35 | C113 | 179.6° | 179.6° |
C108 | C112 | N35 | H172 | 0.3° | 0.3° |
C112 | C108 | N34 | C107 | 74.5° | 74.5° |
H165 | C108 | C109 | C110 | 112.4° | 112.4° |
H165 | C108 | C109 | H166 | 7.0° | 7.0° |
H165 | C108 | C109 | H167 | 128.1° | 128.1° |
H165 | C108 | C112 | O38 | 107.5° | 107.5° |
H165 | C108 | N34 | C107 | 48.0° | 48.0° |
H165 | C108 | C112 | N35 | 72.6° | 72.6° |
C110 | C109 | H166 | H167 | 121.6° | 121.6° |
C109 | C110 | C111 | H168 | 119.5° | 119.5° |
C109 | C110 | C111 | H169 | 119.5° | 119.5° |
C109 | C110 | H168 | H169 | 121.4° | 121.4° |
C109 | C110 | C111 | H170 | 88.2° | 88.2° |
C109 | C110 | C111 | H171 | 149.5° | 149.5° |
H166 | C109 | C110 | C111 | 142.3° | 142.3° |
H166 | C109 | C110 | H168 | 22.7° | 22.7° |
H166 | C109 | C110 | H169 | 98.2° | 98.2° |
H167 | C109 | C110 | C111 | 96.6° | 96.6° |
H167 | C109 | C110 | H168 | 143.9° | 143.9° |
H167 | C109 | C110 | H169 | 22.9° | 22.9° |
C111 | C110 | H168 | H169 | 121.4° | 121.4° |
C110 | C111 | H170 | H171 | 123.2° | 123.2° |
C110 | C111 | N34 | C107 | 151.5° | 151.5° |
H168 | C110 | C111 | H170 | 152.3° | 152.3° |
H168 | C110 | C111 | H171 | 30.0° | 30.0° |
H169 | C110 | C111 | H170 | 31.4° | 31.4° |
H169 | C110 | C111 | H171 | 90.9° | 90.9° |
H170 | C111 | N34 | C107 | 89.6° | 89.6° |
H171 | C111 | N34 | C107 | 32.7° | 32.7° |
O38 | C112 | N35 | C113 | 0.3° | 0.3° |
O38 | C112 | N35 | H172 | 179.8° | 179.8° |
C113 | N35 | H172 | C112 | 180.0° | 180.0° |
N35 | C113 | C114 | C117 | 123.6° | 123.6° |
N35 | C113 | C114 | H173 | 119.4° | 119.4° |
N35 | C113 | C117 | H173 | 119.9° | 119.9° |
N35 | C113 | C114 | C115 | 56.4° | 56.4° |
N35 | C113 | C114 | C116 | 66.9° | 66.9° |
N35 | C113 | C114 | H174 | 174.9° | 174.9° |
N35 | C113 | C117 | O39 | 162.0° | 162.0° |
N35 | C113 | C117 | N1 | 18.3° | 18.3° |
H172 | N35 | C113 | C114 | 41.9° | 41.9° |
H172 | N35 | C113 | C117 | 80.1° | 80.1° |
H172 | N35 | C113 | H173 | 160.5° | 160.5° |
C114 | C113 | C117 | H173 | 116.9° | 116.9° |
C113 | C114 | C115 | C116 | 123.2° | 123.2° |
C113 | C114 | C115 | H174 | 118.3° | 118.3° |
C113 | C114 | C116 | H174 | 118.1° | 118.1° |
C113 | C114 | C115 | H175 | 180.0° | 180.0° |
C113 | C114 | C115 | H176 | 60.0° | 60.0° |
C113 | C114 | C115 | H177 | 60.0° | 60.0° |
C113 | C114 | C116 | H178 | 180.0° | 180.0° |
C113 | C114 | C116 | H179 | 60.0° | 60.0° |
C113 | C114 | C116 | H180 | 60.0° | 60.0° |
C114 | C113 | C117 | O39 | 38.8° | 38.8° |
C114 | C113 | C117 | N1 | 141.5° | 141.5° |
C114 | C113 | N35 | C112 | 138.1° | 138.1° |
C117 | C113 | C114 | C115 | 67.1° | 67.1° |
C117 | C113 | C114 | C116 | 169.5° | 169.5° |
C117 | C113 | C114 | H174 | 51.3° | 51.3° |
C113 | C117 | O39 | N1 | 179.7° | 179.7° |
C117 | C113 | N35 | C112 | 99.9° | 99.9° |
H173 | C113 | C114 | C115 | 175.8° | 175.8° |
H173 | C113 | C114 | C116 | 52.5° | 52.5° |
H173 | C113 | C114 | H174 | 65.7° | 65.7° |
H173 | C113 | C117 | O39 | 78.1° | 78.1° |
H173 | C113 | C117 | N1 | 101.7° | 101.7° |
H173 | C113 | N35 | C112 | 19.5° | 19.5° |
C115 | C114 | C116 | H174 | 118.5° | 118.5° |
C114 | C115 | H175 | H176 | 120.0° | 120.0° |
C114 | C115 | H175 | H177 | 120.0° | 120.0° |
C114 | C115 | H176 | H177 | 120.0° | 120.0° |
C115 | C114 | C116 | H178 | 56.6° | 56.6° |
C115 | C114 | C116 | H179 | 63.5° | 63.5° |
C115 | C114 | C116 | H180 | 176.5° | 176.5° |
C116 | C114 | C115 | H175 | 56.8° | 56.8° |
C116 | C114 | C115 | H176 | 176.8° | 176.8° |
C116 | C114 | C115 | H177 | 63.2° | 63.2° |
C114 | C116 | H178 | H179 | 120.0° | 120.0° |
C114 | C116 | H178 | H180 | 120.0° | 120.0° |
C114 | C116 | H179 | H180 | 120.0° | 120.0° |
H174 | C114 | C115 | H175 | 61.7° | 61.7° |
H174 | C114 | C115 | H176 | 58.3° | 58.3° |
H174 | C114 | C115 | H177 | 178.3° | 178.3° |
H174 | C114 | C116 | H178 | 61.9° | 61.9° |
H174 | C114 | C116 | H179 | 178.0° | 178.0° |
H174 | C114 | C116 | H180 | 58.0° | 58.0° |
H175 | C115 | H176 | H177 | 120.0° | 120.0° |
H178 | C116 | H179 | H180 | 120.0° | 120.0° |