PRD_000184
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.48Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| N2 | C3 | sing | 1.48Å | 1.45Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| N3 | C5 | sing | 1.48Å | 1.46Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.50Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | doub | 1.21Å | 1.23Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| N4 | C8 | sing | 1.47Å | 1.45Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | O4 | doub | 1.21Å | 1.23Å | |
| N5 | C10 | sing | 1.48Å | 1.46Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | O5 | doub | 1.21Å | 1.23Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | N6 | sing | 1.34Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.35Å | 1.35Å | Aromatic |
| N6 | C15 | doub | 1.31Å | 1.32Å | Aromatic |
| N6 | H19 | sing | 0.97Å | 1.00Å | |
| C14 | N7 | sing | 1.37Å | 1.37Å | Aromatic |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C15 | N7 | sing | 1.35Å | 1.32Å | Aromatic |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| N7 | H22 | sing | 0.97Å | 1.00Å | |
| N8 | C16 | sing | 1.47Å | 1.46Å | |
| N8 | H23 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.50Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.55Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | O6 | doub | 1.21Å | 1.22Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| N9 | C21 | sing | 1.47Å | 1.47Å | |
| N9 | C25 | sing | 1.47Å | 1.47Å | |
| C21 | C22 | sing | 1.49Å | 1.53Å | |
| C21 | C23 | sing | 1.54Å | 1.53Å | |
| C21 | H32 | sing | 1.10Å | 1.10Å | |
| C22 | O7 | doub | 1.21Å | 1.23Å | |
| C23 | C24 | sing | 1.54Å | 1.49Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.54Å | 1.50Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| N10 | C26 | sing | 1.47Å | 1.46Å | |
| N10 | H39 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | O8 | doub | 1.21Å | 1.23Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.50Å | 1.52Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | O9 | doub | 1.21Å | 1.25Å | |
| N11 | C31 | sing | 1.47Å | 1.46Å | |
| N11 | H45 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | O10 | doub | 1.21Å | 1.23Å | |
| C33 | C34 | sing | 1.51Å | 1.52Å | |
| C33 | H47 | sing | 1.09Å | 1.10Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | H49 | sing | 1.08Å | 1.08Å | |
| C36 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | H50 | sing | 1.08Å | 1.08Å | |
| C37 | C39 | doub | 1.39Å | 1.38Å | Aromatic |
| C37 | H51 | sing | 1.08Å | 1.08Å | |
| C38 | C39 | sing | 1.39Å | 1.38Å | Aromatic |
| C38 | H52 | sing | 1.08Å | 1.08Å | |
| C39 | O11 | sing | 1.36Å | 1.37Å | |
| O11 | H53 | sing | 0.97Å | 0.95Å | |
| N12 | C40 | sing | 1.47Å | 1.46Å | |
| N12 | H54 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.51Å | 1.52Å | |
| C40 | C42 | sing | 1.53Å | 1.54Å | |
| C40 | H55 | sing | 1.09Å | 1.10Å | |
| C41 | O12 | doub | 1.21Å | 1.23Å | |
| C42 | C43 | sing | 1.51Å | 1.51Å | |
| C42 | H56 | sing | 1.09Å | 1.10Å | |
| C42 | H57 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C45 | sing | 1.38Å | 1.38Å | Aromatic |
| C44 | C46 | sing | 1.38Å | 1.38Å | Aromatic |
| C44 | H58 | sing | 1.08Å | 1.08Å | |
| C45 | C47 | doub | 1.38Å | 1.38Å | Aromatic |
| C45 | H59 | sing | 1.08Å | 1.08Å | |
| C46 | C48 | doub | 1.38Å | 1.38Å | Aromatic |
| C46 | H60 | sing | 1.08Å | 1.08Å | |
| C47 | C48 | sing | 1.38Å | 1.38Å | Aromatic |
| C47 | H61 | sing | 1.08Å | 1.08Å | |
| C48 | H62 | sing | 1.08Å | 1.08Å | |
| N13 | C49 | sing | 1.47Å | 1.46Å | |
| N13 | H63 | sing | 0.97Å | 1.00Å | |
| C49 | C50 | sing | 1.51Å | 1.53Å | |
| C49 | C51 | sing | 1.53Å | 1.54Å | |
| C49 | H64 | sing | 1.09Å | 1.10Å | |
| C50 | O13 | doub | 1.21Å | 1.23Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C51 | C53 | sing | 1.53Å | 1.52Å | |
| C51 | H65 | sing | 1.09Å | 1.10Å | |
| C52 | H66 | sing | 1.09Å | 1.10Å | |
| C52 | H67 | sing | 1.09Å | 1.10Å | |
| C52 | H68 | sing | 1.09Å | 1.10Å | |
| C53 | H69 | sing | 1.09Å | 1.10Å | |
| C53 | H70 | sing | 1.09Å | 1.10Å | |
| C53 | H71 | sing | 1.09Å | 1.10Å | |
| N14 | C54 | sing | 1.47Å | 1.45Å | |
| N14 | H72 | sing | 0.97Å | 1.00Å | |
| C54 | C55 | sing | 1.51Å | 1.51Å | |
| C54 | H73 | sing | 1.09Å | 1.10Å | |
| C54 | H74 | sing | 1.09Å | 1.10Å | |
| C55 | O14 | doub | 1.21Å | 1.23Å | |
| N15 | C56 | sing | 1.46Å | 1.46Å | |
| N15 | H75 | sing | 0.97Å | 1.00Å | |
| C56 | C57 | sing | 1.51Å | 1.53Å | |
| C56 | C58 | sing | 1.53Å | 1.54Å | |
| C56 | H76 | sing | 1.09Å | 1.10Å | |
| C57 | O15 | doub | 1.21Å | 1.23Å | |
| C58 | C59 | sing | 1.53Å | 1.53Å | |
| C58 | C60 | sing | 1.53Å | 1.52Å | |
| C58 | H77 | sing | 1.09Å | 1.10Å | |
| C59 | C61 | sing | 1.53Å | 1.52Å | |
| C59 | H78 | sing | 1.09Å | 1.10Å | |
| C59 | H79 | sing | 1.09Å | 1.10Å | |
| C60 | H80 | sing | 1.09Å | 1.10Å | |
| C60 | H81 | sing | 1.09Å | 1.10Å | |
| C60 | H82 | sing | 1.09Å | 1.10Å | |
| C61 | H83 | sing | 1.09Å | 1.10Å | |
| C61 | H84 | sing | 1.09Å | 1.10Å | |
| C61 | H85 | sing | 1.09Å | 1.10Å | |
| N16 | C62 | sing | 1.47Å | 1.46Å | |
| N16 | H86 | sing | 0.97Å | 1.00Å | |
| C62 | C63 | sing | 1.51Å | 1.52Å | |
| C62 | H87 | sing | 1.09Å | 1.10Å | |
| C62 | H88 | sing | 1.09Å | 1.10Å | |
| C63 | O16 | doub | 1.21Å | 1.23Å | |
| N17 | C64 | sing | 1.47Å | 1.45Å | |
| N17 | H89 | sing | 0.97Å | 1.00Å | |
| C64 | C65 | sing | 1.51Å | 1.53Å | |
| C64 | C66 | sing | 1.53Å | 1.54Å | |
| C64 | H90 | sing | 1.09Å | 1.10Å | |
| C65 | O17 | doub | 1.21Å | 1.23Å | |
| C66 | O18 | sing | 1.43Å | 1.43Å | |
| C66 | C67 | sing | 1.53Å | 1.52Å | |
| C66 | H91 | sing | 1.09Å | 1.10Å | |
| O18 | H92 | sing | 0.97Å | 0.95Å | |
| C67 | H93 | sing | 1.09Å | 1.10Å | |
| C67 | H94 | sing | 1.09Å | 1.10Å | |
| C67 | H95 | sing | 1.09Å | 1.10Å | |
| N18 | C68 | sing | 1.47Å | 1.46Å | |
| N18 | C72 | sing | 1.47Å | 1.48Å | |
| C68 | C69 | sing | 1.51Å | 1.52Å | |
| C68 | C70 | sing | 1.54Å | 1.53Å | |
| C68 | H96 | sing | 1.09Å | 1.10Å | |
| C69 | O19 | doub | 1.21Å | 1.23Å | |
| C70 | C71 | sing | 1.55Å | 1.49Å | |
| C70 | H97 | sing | 1.09Å | 1.10Å | |
| C70 | H98 | sing | 1.09Å | 1.10Å | |
| C71 | C72 | sing | 1.55Å | 1.51Å | |
| C71 | H99 | sing | 1.09Å | 1.10Å | |
| C71 | H100 | sing | 1.09Å | 1.10Å | |
| C72 | H101 | sing | 1.09Å | 1.10Å | |
| C72 | H102 | sing | 1.09Å | 1.10Å | |
| N19 | C73 | sing | 1.47Å | 1.46Å | |
| N19 | H103 | sing | 0.97Å | 1.00Å | |
| C73 | C74 | sing | 1.51Å | 1.53Å | |
| C73 | C75 | sing | 1.53Å | 1.55Å | |
| C73 | H104 | sing | 1.09Å | 1.10Å | |
| C74 | O20 | doub | 1.21Å | 1.23Å | |
| C75 | C76 | sing | 1.53Å | 1.53Å | |
| C75 | C77 | sing | 1.53Å | 1.53Å | |
| C75 | H105 | sing | 1.09Å | 1.10Å | |
| C76 | C78 | sing | 1.53Å | 1.51Å | |
| C76 | H106 | sing | 1.09Å | 1.10Å | |
| C76 | H107 | sing | 1.09Å | 1.10Å | |
| C77 | H108 | sing | 1.09Å | 1.10Å | |
| C77 | H109 | sing | 1.09Å | 1.10Å | |
| C77 | H110 | sing | 1.09Å | 1.10Å | |
| C78 | H111 | sing | 1.09Å | 1.10Å | |
| C78 | H112 | sing | 1.09Å | 1.10Å | |
| C78 | H113 | sing | 1.09Å | 1.10Å | |
| N20 | C79 | sing | 1.46Å | 1.45Å | |
| N20 | H114 | sing | 0.97Å | 1.00Å | |
| C79 | C80 | sing | 1.51Å | 1.52Å | |
| C79 | C81 | sing | 1.53Å | 1.53Å | |
| C79 | H115 | sing | 1.09Å | 1.10Å | |
| C80 | O21 | doub | 1.21Å | 1.23Å | |
| C81 | O22 | sing | 1.43Å | 1.42Å | |
| C81 | H116 | sing | 1.09Å | 1.10Å | |
| C81 | H117 | sing | 1.09Å | 1.10Å | |
| O22 | H118 | sing | 0.97Å | 0.95Å | |
| N21 | C82 | sing | 1.46Å | 1.45Å | |
| N21 | H119 | sing | 0.97Å | 1.00Å | |
| C82 | C83 | sing | 1.51Å | 1.52Å | |
| C82 | C84 | sing | 1.53Å | 1.53Å | |
| C82 | H120 | sing | 1.09Å | 1.10Å | |
| C83 | O23 | doub | 1.21Å | 1.22Å | |
| C84 | C85 | sing | 1.51Å | 1.50Å | |
| C84 | H121 | sing | 1.09Å | 1.10Å | |
| C84 | H122 | sing | 1.09Å | 1.10Å | |
| C85 | C86 | doub | 1.38Å | 1.39Å | Aromatic |
| C85 | C87 | sing | 1.38Å | 1.39Å | Aromatic |
| C86 | C88 | sing | 1.38Å | 1.38Å | Aromatic |
| C86 | H123 | sing | 1.08Å | 1.08Å | |
| C87 | C89 | doub | 1.38Å | 1.38Å | Aromatic |
| C87 | H124 | sing | 1.08Å | 1.08Å | |
| C88 | C90 | doub | 1.38Å | 1.38Å | Aromatic |
| C88 | H125 | sing | 1.08Å | 1.08Å | |
| C89 | C90 | sing | 1.38Å | 1.38Å | Aromatic |
| C89 | H126 | sing | 1.08Å | 1.08Å | |
| C90 | H127 | sing | 1.08Å | 1.08Å | |
| N22 | C91 | sing | 1.46Å | 1.46Å | |
| N22 | H128 | sing | 0.97Å | 1.00Å | |
| C91 | C92 | sing | 1.51Å | 1.52Å | |
| C91 | C93 | sing | 1.53Å | 1.53Å | |
| C91 | H129 | sing | 1.09Å | 1.10Å | |
| C92 | O24 | doub | 1.21Å | 1.23Å | |
| C93 | C94 | sing | 1.51Å | 1.51Å | |
| C93 | H130 | sing | 1.09Å | 1.10Å | |
| C93 | H131 | sing | 1.09Å | 1.10Å | |
| C94 | C95 | doub | 1.38Å | 1.39Å | Aromatic |
| C94 | C96 | sing | 1.38Å | 1.39Å | Aromatic |
| C95 | C97 | sing | 1.38Å | 1.38Å | Aromatic |
| C95 | H132 | sing | 1.08Å | 1.08Å | |
| C96 | C98 | doub | 1.38Å | 1.38Å | Aromatic |
| C96 | H133 | sing | 1.08Å | 1.08Å | |
| C97 | C99 | doub | 1.39Å | 1.38Å | Aromatic |
| C97 | H134 | sing | 1.08Å | 1.08Å | |
| C98 | C99 | sing | 1.39Å | 1.38Å | Aromatic |
| C98 | H135 | sing | 1.08Å | 1.08Å | |
| C99 | O25 | sing | 1.36Å | 1.38Å | |
| O25 | H136 | sing | 0.97Å | 0.95Å | |
| N23 | C100 | sing | 1.46Å | 1.44Å | |
| N23 | H137 | sing | 0.97Å | 1.00Å | |
| C100 | C101 | sing | 1.51Å | 1.51Å | |
| C100 | H138 | sing | 1.09Å | 1.10Å | |
| C100 | H139 | sing | 1.09Å | 1.10Å | |
| C101 | O26 | doub | 1.21Å | 1.25Å | |
| C101 | O27 | sing | 1.34Å | 1.25Å | |
| O27 | H140 | sing | 0.97Å | 0.95Å | |
| N1 | C30 | sing | 1.37Å | 1.33Å | |
| C2 | N2 | sing | 1.36Å | 1.33Å | |
| C4 | N3 | sing | 1.37Å | 1.33Å | |
| C6 | N4 | sing | 1.36Å | 1.33Å | |
| C9 | N5 | sing | 1.37Å | 1.33Å | |
| C11 | N8 | sing | 1.36Å | 1.33Å | |
| C17 | N9 | sing | 1.35Å | 1.34Å | |
| C22 | N10 | sing | 1.35Å | 1.33Å | |
| C27 | N11 | sing | 1.35Å | 1.33Å | |
| C32 | N12 | sing | 1.35Å | 1.33Å | |
| C41 | N13 | sing | 1.35Å | 1.32Å | |
| C50 | N14 | sing | 1.35Å | 1.33Å | |
| C55 | N15 | sing | 1.35Å | 1.32Å | |
| C57 | N16 | sing | 1.35Å | 1.33Å | |
| C63 | N17 | sing | 1.35Å | 1.32Å | |
| C65 | N18 | sing | 1.35Å | 1.34Å | |
| C69 | N19 | sing | 1.35Å | 1.32Å | |
| C74 | N20 | sing | 1.35Å | 1.32Å | |
| C80 | N21 | sing | 1.35Å | 1.32Å | |
| C83 | N22 | sing | 1.35Å | 1.32Å | |
| C92 | N23 | sing | 1.35Å | 1.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 119.5° | 122.0° |
| N1 | C1 | C2 | 113.1° | 109.6° |
| N1 | C1 | H2 | 108.5° | 109.4° |
| N1 | C1 | H3 | 108.5° | 109.5° |
| C1 | N1 | C30 | 121.0° | 115.9° |
| H1 | N1 | C30 | 119.5° | 122.0° |
| C2 | C1 | H2 | 108.6° | 109.5° |
| C2 | C1 | H3 | 108.6° | 109.4° |
| C1 | C2 | O1 | 120.5° | 120.7° |
| C1 | C2 | N2 | 116.7° | 118.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| O1 | C2 | N2 | 122.8° | 120.8° |
| C3 | N2 | H4 | 119.6° | 121.9° |
| N2 | C3 | C4 | 112.2° | 108.9° |
| N2 | C3 | H5 | 108.8° | 109.6° |
| N2 | C3 | H6 | 108.8° | 109.6° |
| C3 | N2 | C2 | 120.9° | 116.2° |
| H4 | N2 | C2 | 119.6° | 121.9° |
| C4 | C3 | H5 | 108.8° | 109.6° |
| C4 | C3 | H6 | 108.8° | 109.6° |
| C3 | C4 | O2 | 120.5° | 120.6° |
| C3 | C4 | N3 | 116.4° | 118.7° |
| H5 | C3 | H6 | 109.5° | 109.7° |
| O2 | C4 | N3 | 123.1° | 120.6° |
| C5 | N3 | H7 | 118.9° | 122.1° |
| N3 | C5 | C6 | 110.4° | 109.5° |
| N3 | C5 | C7 | 110.4° | 109.5° |
| N3 | C5 | H8 | 109.1° | 109.4° |
| C5 | N3 | C4 | 122.1° | 115.9° |
| H7 | N3 | C4 | 118.9° | 122.1° |
| C6 | C5 | C7 | 110.4° | 109.5° |
| C6 | C5 | H8 | 108.2° | 109.5° |
| C5 | C6 | O3 | 120.6° | 120.6° |
| C5 | C6 | N4 | 116.3° | 118.7° |
| C7 | C5 | H8 | 108.2° | 109.5° |
| C5 | C7 | H9 | 109.5° | 109.5° |
| C5 | C7 | H10 | 109.5° | 109.4° |
| C5 | C7 | H11 | 109.5° | 109.5° |
| O3 | C6 | N4 | 123.1° | 120.6° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| C8 | N4 | H12 | 119.5° | 122.2° |
| N4 | C8 | C9 | 111.9° | 108.7° |
| N4 | C8 | H13 | 108.8° | 109.6° |
| N4 | C8 | H14 | 108.9° | 109.6° |
| C8 | N4 | C6 | 121.0° | 115.6° |
| H12 | N4 | C6 | 119.5° | 122.2° |
| C9 | C8 | H13 | 108.9° | 109.6° |
| C9 | C8 | H14 | 108.8° | 109.6° |
| C8 | C9 | O4 | 120.5° | 120.3° |
| C8 | C9 | N5 | 116.5° | 119.4° |
| H13 | C8 | H14 | 109.5° | 109.8° |
| O4 | C9 | N5 | 123.0° | 120.3° |
| C10 | N5 | H15 | 119.0° | 122.1° |
| N5 | C10 | C11 | 110.8° | 109.2° |
| N5 | C10 | C12 | 111.0° | 109.5° |
| N5 | C10 | H16 | 109.2° | 109.5° |
| C10 | N5 | C9 | 122.0° | 115.8° |
| H15 | N5 | C9 | 119.0° | 122.1° |
| C11 | C10 | C12 | 109.3° | 109.5° |
| C11 | C10 | H16 | 108.3° | 109.5° |
| C10 | C11 | O5 | 120.6° | 120.9° |
| C10 | C11 | N8 | 116.5° | 118.2° |
| C12 | C10 | H16 | 108.2° | 109.6° |
| C10 | C12 | C13 | 114.3° | 109.5° |
| C10 | C12 | H17 | 108.3° | 109.5° |
| C10 | C12 | H18 | 108.3° | 109.5° |
| O5 | C11 | N8 | 122.9° | 120.9° |
| C13 | C12 | H17 | 108.2° | 109.4° |
| C13 | C12 | H18 | 108.3° | 109.4° |
| C12 | C13 | N6 | 123.2° | 126.0° |
| C12 | C13 | C14 | 130.8° | 126.0° |
| H17 | C12 | H18 | 109.4° | 109.5° |
| N6 | C13 | C14 | 105.9° | 108.0° |
| C13 | N6 | C15 | 109.5° | 109.3° |
| C13 | N6 | H19 | 125.3° | 125.3° |
| C13 | C14 | N7 | 107.2° | 106.8° |
| C13 | C14 | H20 | 126.4° | 126.6° |
| C15 | N6 | H19 | 125.2° | 125.4° |
| N6 | C15 | N7 | 108.4° | 108.7° |
| N6 | C15 | H21 | 125.8° | 125.6° |
| N7 | C14 | H20 | 126.4° | 126.6° |
| C14 | N7 | C15 | 108.9° | 107.2° |
| C14 | N7 | H22 | 125.6° | 126.4° |
| N7 | C15 | H21 | 125.8° | 125.7° |
| C15 | N7 | H22 | 125.6° | 126.4° |
| C16 | N8 | H23 | 119.3° | 121.8° |
| N8 | C16 | C17 | 110.3° | 110.0° |
| N8 | C16 | C18 | 111.4° | 109.4° |
| N8 | C16 | H24 | 109.3° | 109.4° |
| C16 | N8 | C11 | 121.4° | 116.4° |
| H23 | N8 | C11 | 119.3° | 121.7° |
| C17 | C16 | C18 | 109.3° | 109.4° |
| C17 | C16 | H24 | 108.4° | 109.3° |
| C16 | C17 | O6 | 120.4° | 119.4° |
| C16 | C17 | N9 | 117.5° | 121.2° |
| C18 | C16 | H24 | 108.1° | 109.3° |
| C16 | C18 | C19 | 111.0° | 109.5° |
| C16 | C18 | C20 | 110.6° | 109.5° |
| C16 | C18 | H25 | 108.0° | 109.5° |
| O6 | C17 | N9 | 122.2° | 119.4° |
| C19 | C18 | C20 | 110.7° | 109.5° |
| C19 | C18 | H25 | 108.3° | 109.5° |
| C18 | C19 | H26 | 109.5° | 109.5° |
| C18 | C19 | H27 | 109.5° | 109.5° |
| C18 | C19 | H28 | 109.5° | 109.5° |
| C20 | C18 | H25 | 108.3° | 109.5° |
| C18 | C20 | H29 | 109.5° | 109.5° |
| C18 | C20 | H30 | 109.5° | 109.5° |
| C18 | C20 | H31 | 109.4° | 109.5° |
| H26 | C19 | H27 | 109.4° | 109.5° |
| H26 | C19 | H28 | 109.5° | 109.4° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H29 | C20 | H30 | 109.5° | 109.4° |
| H29 | C20 | H31 | 109.5° | 109.5° |
| H30 | C20 | H31 | 109.5° | 109.5° |
| C21 | N9 | C25 | 111.9° | 108.5° |
| N9 | C21 | C22 | 113.2° | 109.0° |
| N9 | C21 | C23 | 103.5° | 107.2° |
| N9 | C21 | H32 | 110.4° | 109.2° |
| C21 | N9 | C17 | 123.0° | 125.3° |
| N9 | C25 | C24 | 103.6° | 107.7° |
| N9 | C25 | H37 | 110.9° | 109.8° |
| N9 | C25 | H38 | 110.9° | 109.8° |
| C25 | N9 | C17 | 125.1° | 126.2° |
| C22 | C21 | C23 | 110.5° | 111.4° |
| C22 | C21 | H32 | 109.5° | 110.8° |
| C21 | C22 | O7 | 120.9° | 118.4° |
| C21 | C22 | N10 | 116.0° | 123.1° |
| C23 | C21 | H32 | 109.5° | 109.2° |
| C21 | C23 | C24 | 105.0° | 103.9° |
| C21 | C23 | H33 | 110.6° | 110.5° |
| C21 | C23 | H34 | 110.6° | 110.6° |
| O7 | C22 | N10 | 123.1° | 118.5° |
| C24 | C23 | H33 | 110.6° | 110.5° |
| C24 | C23 | H34 | 110.6° | 110.5° |
| C23 | C24 | C25 | 106.0° | 106.4° |
| C23 | C24 | H35 | 110.3° | 110.1° |
| C23 | C24 | H36 | 110.3° | 110.1° |
| H33 | C23 | H34 | 109.5° | 110.6° |
| C25 | C24 | H35 | 110.3° | 110.0° |
| C25 | C24 | H36 | 110.4° | 110.1° |
| C24 | C25 | H37 | 110.9° | 109.8° |
| C24 | C25 | H38 | 110.9° | 109.8° |
| H35 | C24 | H36 | 109.4° | 110.1° |
| H37 | C25 | H38 | 109.5° | 109.9° |
| C26 | N10 | H39 | 119.0° | 122.5° |
| N10 | C26 | C27 | 111.6° | 109.3° |
| N10 | C26 | C28 | 110.8° | 110.5° |
| N10 | C26 | H40 | 109.0° | 109.3° |
| C26 | N10 | C22 | 122.0° | 114.9° |
| H39 | N10 | C22 | 119.0° | 122.6° |
| C27 | C26 | C28 | 109.2° | 109.3° |
| C27 | C26 | H40 | 108.1° | 109.2° |
| C26 | C27 | O8 | 120.8° | 120.0° |
| C26 | C27 | N11 | 116.6° | 120.0° |
| C28 | C26 | H40 | 108.1° | 109.2° |
| C26 | C28 | C29 | 114.4° | 109.0° |
| C26 | C28 | H41 | 108.2° | 109.5° |
| C26 | C28 | H42 | 108.2° | 109.5° |
| O8 | C27 | N11 | 122.6° | 120.0° |
| C29 | C28 | H41 | 108.2° | 109.6° |
| C29 | C28 | H42 | 108.2° | 109.5° |
| C28 | C29 | C30 | 112.6° | 109.6° |
| C28 | C29 | H43 | 108.7° | 109.5° |
| C28 | C29 | H44 | 108.7° | 109.5° |
| H41 | C28 | H42 | 109.5° | 109.7° |
| C30 | C29 | H43 | 108.7° | 109.5° |
| C30 | C29 | H44 | 108.7° | 109.3° |
| C29 | C30 | O9 | 119.1° | 120.4° |
| C29 | C30 | N1 | 117.1° | 119.1° |
| H43 | C29 | H44 | 109.5° | 109.4° |
| O9 | C30 | N1 | 123.9° | 120.5° |
| C31 | N11 | H45 | 119.3° | 120.0° |
| N11 | C31 | C32 | 111.8° | 109.5° |
| N11 | C31 | C33 | 111.1° | 109.5° |
| N11 | C31 | H46 | 108.8° | 109.5° |
| C31 | N11 | C27 | 121.4° | 120.0° |
| H45 | N11 | C27 | 119.3° | 120.0° |
| C32 | C31 | C33 | 109.1° | 109.5° |
| C32 | C31 | H46 | 108.0° | 109.4° |
| C31 | C32 | O10 | 121.1° | 120.0° |
| C31 | C32 | N12 | 115.2° | 120.0° |
| C33 | C31 | H46 | 107.9° | 109.5° |
| C31 | C33 | C34 | 114.5° | 109.4° |
| C31 | C33 | H47 | 108.2° | 109.4° |
| C31 | C33 | H48 | 108.2° | 109.5° |
| O10 | C32 | N12 | 123.7° | 120.0° |
| C34 | C33 | H47 | 108.2° | 109.5° |
| C34 | C33 | H48 | 108.2° | 109.5° |
| C33 | C34 | C35 | 121.2° | 120.0° |
| C33 | C34 | C36 | 120.7° | 119.9° |
| H47 | C33 | H48 | 109.5° | 109.5° |
| C35 | C34 | C36 | 118.0° | 120.1° |
| C34 | C35 | C37 | 121.2° | 120.1° |
| C34 | C35 | H49 | 119.4° | 120.0° |
| C34 | C36 | C38 | 121.1° | 120.1° |
| C34 | C36 | H50 | 119.4° | 119.9° |
| C37 | C35 | H49 | 119.4° | 120.0° |
| C35 | C37 | C39 | 119.6° | 119.9° |
| C35 | C37 | H51 | 120.2° | 120.0° |
| C38 | C36 | H50 | 119.5° | 120.0° |
| C36 | C38 | C39 | 119.6° | 120.0° |
| C36 | C38 | H52 | 120.2° | 120.1° |
| C39 | C37 | H51 | 120.2° | 120.0° |
| C37 | C39 | C38 | 120.4° | 119.9° |
| C37 | C39 | O11 | 119.7° | 120.0° |
| C39 | C38 | H52 | 120.2° | 120.0° |
| C38 | C39 | O11 | 119.8° | 120.1° |
| C39 | O11 | H53 | 109.5° | 114.0° |
| C40 | N12 | H54 | 118.7° | 120.0° |
| N12 | C40 | C41 | 109.1° | 109.5° |
| N12 | C40 | C42 | 111.8° | 109.5° |
| N12 | C40 | H55 | 109.9° | 109.5° |
| C40 | N12 | C32 | 122.6° | 120.0° |
| H54 | N12 | C32 | 118.7° | 120.0° |
| C41 | C40 | C42 | 108.4° | 109.5° |
| C41 | C40 | H55 | 108.9° | 109.5° |
| C40 | C41 | O12 | 120.4° | 120.0° |
| C40 | C41 | N13 | 116.8° | 120.0° |
| C42 | C40 | H55 | 108.8° | 109.5° |
| C40 | C42 | C43 | 115.7° | 109.5° |
| C40 | C42 | H56 | 107.9° | 109.5° |
| C40 | C42 | H57 | 107.9° | 109.5° |
| O12 | C41 | N13 | 122.8° | 120.0° |
| C43 | C42 | H56 | 107.9° | 109.5° |
| C43 | C42 | H57 | 107.9° | 109.4° |
| C42 | C43 | C44 | 121.1° | 120.0° |
| C42 | C43 | C45 | 120.3° | 120.1° |
| H56 | C42 | H57 | 109.5° | 109.5° |
| C44 | C43 | C45 | 118.6° | 120.0° |
| C43 | C44 | C46 | 120.8° | 120.0° |
| C43 | C44 | H58 | 119.6° | 120.0° |
| C43 | C45 | C47 | 120.9° | 120.0° |
| C43 | C45 | H59 | 119.5° | 120.0° |
| C46 | C44 | H58 | 119.6° | 120.0° |
| C44 | C46 | C48 | 119.8° | 120.0° |
| C44 | C46 | H60 | 120.1° | 120.0° |
| C47 | C45 | H59 | 119.6° | 120.0° |
| C45 | C47 | C48 | 119.9° | 120.0° |
| C45 | C47 | H61 | 120.1° | 120.0° |
| C48 | C46 | H60 | 120.1° | 120.0° |
| C46 | C48 | C47 | 119.9° | 120.0° |
| C46 | C48 | H62 | 120.0° | 120.0° |
| C48 | C47 | H61 | 120.0° | 120.0° |
| C47 | C48 | H62 | 120.0° | 120.0° |
| C49 | N13 | H63 | 119.5° | 120.0° |
| N13 | C49 | C50 | 110.9° | 109.5° |
| N13 | C49 | C51 | 112.1° | 109.5° |
| N13 | C49 | H64 | 108.7° | 109.5° |
| C49 | N13 | C41 | 121.0° | 120.0° |
| H63 | N13 | C41 | 119.5° | 120.0° |
| C50 | C49 | C51 | 109.7° | 109.4° |
| C50 | C49 | H64 | 107.8° | 109.5° |
| C49 | C50 | O13 | 120.5° | 120.0° |
| C49 | C50 | N14 | 116.3° | 120.0° |
| C51 | C49 | H64 | 107.5° | 109.5° |
| C49 | C51 | C52 | 110.4° | 109.4° |
| C49 | C51 | C53 | 111.1° | 109.5° |
| C49 | C51 | H65 | 108.0° | 109.5° |
| O13 | C50 | N14 | 123.2° | 120.0° |
| C52 | C51 | C53 | 110.7° | 109.5° |
| C52 | C51 | H65 | 108.3° | 109.5° |
| C51 | C52 | H66 | 109.5° | 109.5° |
| C51 | C52 | H67 | 109.5° | 109.5° |
| C51 | C52 | H68 | 109.5° | 109.5° |
| C53 | C51 | H65 | 108.3° | 109.5° |
| C51 | C53 | H69 | 109.5° | 109.5° |
| C51 | C53 | H70 | 109.5° | 109.5° |
| C51 | C53 | H71 | 109.4° | 109.5° |
| H66 | C52 | H67 | 109.5° | 109.4° |
| H66 | C52 | H68 | 109.5° | 109.5° |
| H67 | C52 | H68 | 109.5° | 109.5° |
| H69 | C53 | H70 | 109.5° | 109.5° |
| H69 | C53 | H71 | 109.4° | 109.5° |
| H70 | C53 | H71 | 109.5° | 109.4° |
| C54 | N14 | H72 | 119.3° | 120.1° |
| N14 | C54 | C55 | 113.6° | 109.4° |
| N14 | C54 | H73 | 108.4° | 109.5° |
| N14 | C54 | H74 | 108.4° | 109.5° |
| C54 | N14 | C50 | 121.4° | 120.0° |
| H72 | N14 | C50 | 119.3° | 120.0° |
| C55 | C54 | H73 | 108.4° | 109.5° |
| C55 | C54 | H74 | 108.4° | 109.5° |
| C54 | C55 | O14 | 120.7° | 120.0° |
| C54 | C55 | N15 | 116.4° | 120.0° |
| H73 | C54 | H74 | 109.5° | 109.5° |
| O14 | C55 | N15 | 122.9° | 120.0° |
| C56 | N15 | H75 | 119.3° | 120.0° |
| N15 | C56 | C57 | 112.0° | 109.5° |
| N15 | C56 | C58 | 111.6° | 109.5° |
| N15 | C56 | H76 | 108.4° | 109.4° |
| C56 | N15 | C55 | 121.5° | 120.0° |
| H75 | N15 | C55 | 119.2° | 120.0° |
| C57 | C56 | C58 | 109.8° | 109.4° |
| C57 | C56 | H76 | 107.5° | 109.4° |
| C56 | C57 | O15 | 120.9° | 120.0° |
| C56 | C57 | N16 | 115.7° | 120.0° |
| C58 | C56 | H76 | 107.4° | 109.5° |
| C56 | C58 | C59 | 110.7° | 109.5° |
| C56 | C58 | C60 | 110.1° | 109.5° |
| C56 | C58 | H77 | 108.3° | 109.5° |
| O15 | C57 | N16 | 123.4° | 120.0° |
| C59 | C58 | C60 | 110.7° | 109.5° |
| C59 | C58 | H77 | 108.4° | 109.5° |
| C58 | C59 | C61 | 113.8° | 109.5° |
| C58 | C59 | H78 | 108.4° | 109.5° |
| C58 | C59 | H79 | 108.4° | 109.5° |
| C60 | C58 | H77 | 108.5° | 109.4° |
| C58 | C60 | H80 | 109.5° | 109.5° |
| C58 | C60 | H81 | 109.5° | 109.5° |
| C58 | C60 | H82 | 109.5° | 109.5° |
| C61 | C59 | H78 | 108.4° | 109.5° |
| C61 | C59 | H79 | 108.4° | 109.5° |
| C59 | C61 | H83 | 109.5° | 109.5° |
| C59 | C61 | H84 | 109.5° | 109.5° |
| C59 | C61 | H85 | 109.4° | 109.4° |
| H78 | C59 | H79 | 109.5° | 109.4° |
| H80 | C60 | H81 | 109.5° | 109.4° |
| H80 | C60 | H82 | 109.5° | 109.5° |
| H81 | C60 | H82 | 109.4° | 109.5° |
| H83 | C61 | H84 | 109.5° | 109.5° |
| H83 | C61 | H85 | 109.5° | 109.5° |
| H84 | C61 | H85 | 109.5° | 109.5° |
| C62 | N16 | H86 | 118.9° | 120.0° |
| N16 | C62 | C63 | 114.1° | 109.5° |
| N16 | C62 | H87 | 108.3° | 109.5° |
| N16 | C62 | H88 | 108.3° | 109.5° |
| C62 | N16 | C57 | 122.2° | 120.0° |
| H86 | N16 | C57 | 118.9° | 120.0° |
| C63 | C62 | H87 | 108.3° | 109.5° |
| C63 | C62 | H88 | 108.3° | 109.4° |
| C62 | C63 | O16 | 120.5° | 120.0° |
| C62 | C63 | N17 | 117.0° | 120.0° |
| H87 | C62 | H88 | 109.5° | 109.5° |
| O16 | C63 | N17 | 122.5° | 120.0° |
| C64 | N17 | H89 | 119.4° | 120.0° |
| N17 | C64 | C65 | 110.5° | 109.5° |
| N17 | C64 | C66 | 110.9° | 109.4° |
| N17 | C64 | H90 | 109.3° | 109.5° |
| C64 | N17 | C63 | 121.3° | 120.0° |
| H89 | N17 | C63 | 119.3° | 120.0° |
| C65 | C64 | C66 | 109.7° | 109.4° |
| C65 | C64 | H90 | 108.3° | 109.5° |
| C64 | C65 | O17 | 120.6° | 120.0° |
| C64 | C65 | N18 | 117.6° | 120.0° |
| C66 | C64 | H90 | 108.1° | 109.5° |
| C64 | C66 | O18 | 109.5° | 109.5° |
| C64 | C66 | C67 | 111.2° | 109.4° |
| C64 | C66 | H91 | 108.3° | 109.5° |
| O17 | C65 | N18 | 121.8° | 120.0° |
| O18 | C66 | C67 | 109.5° | 109.5° |
| O18 | C66 | H91 | 109.7° | 109.5° |
| C66 | O18 | H92 | 109.5° | 114.0° |
| C67 | C66 | H91 | 108.5° | 109.5° |
| C66 | C67 | H93 | 109.5° | 109.5° |
| C66 | C67 | H94 | 109.5° | 109.4° |
| C66 | C67 | H95 | 109.5° | 109.5° |
| H93 | C67 | H94 | 109.5° | 109.5° |
| H93 | C67 | H95 | 109.4° | 109.5° |
| H94 | C67 | H95 | 109.5° | 109.5° |
| C68 | N18 | C72 | 112.2° | 108.7° |
| N18 | C68 | C69 | 112.7° | 109.9° |
| N18 | C68 | C70 | 103.1° | 107.3° |
| N18 | C68 | H96 | 110.8° | 109.9° |
| C68 | N18 | C65 | 122.3° | 125.6° |
| N18 | C72 | C71 | 104.1° | 104.7° |
| N18 | C72 | H101 | 110.8° | 110.3° |
| N18 | C72 | H102 | 110.8° | 110.4° |
| C72 | N18 | C65 | 125.5° | 125.7° |
| C69 | C68 | C70 | 110.5° | 109.9° |
| C69 | C68 | H96 | 109.8° | 109.9° |
| C68 | C69 | O19 | 121.1° | 120.0° |
| C68 | C69 | N19 | 116.2° | 120.0° |
| C70 | C68 | H96 | 109.8° | 110.0° |
| C68 | C70 | C71 | 105.2° | 102.9° |
| C68 | C70 | H97 | 110.5° | 110.7° |
| C68 | C70 | H98 | 110.5° | 110.7° |
| O19 | C69 | N19 | 122.8° | 120.0° |
| C71 | C70 | H97 | 110.5° | 110.7° |
| C71 | C70 | H98 | 110.5° | 110.7° |
| C70 | C71 | C72 | 106.8° | 101.5° |
| C70 | C71 | H99 | 110.1° | 111.1° |
| C70 | C71 | H100 | 110.1° | 111.0° |
| H97 | C70 | H98 | 109.5° | 110.8° |
| C72 | C71 | H99 | 110.1° | 111.2° |
| C72 | C71 | H100 | 110.1° | 110.9° |
| C71 | C72 | H101 | 110.8° | 110.5° |
| C71 | C72 | H102 | 110.8° | 110.4° |
| H99 | C71 | H100 | 109.5° | 110.9° |
| H101 | C72 | H102 | 109.5° | 110.4° |
| C73 | N19 | H103 | 119.3° | 120.0° |
| N19 | C73 | C74 | 108.9° | 109.4° |
| N19 | C73 | C75 | 112.2° | 109.5° |
| N19 | C73 | H104 | 109.0° | 109.5° |
| C73 | N19 | C69 | 121.5° | 120.0° |
| H103 | N19 | C69 | 119.3° | 120.0° |
| C74 | C73 | C75 | 110.7° | 109.5° |
| C74 | C73 | H104 | 108.1° | 109.4° |
| C73 | C74 | O20 | 122.3° | 120.0° |
| C73 | C74 | N20 | 114.4° | 120.0° |
| C75 | C73 | H104 | 107.8° | 109.5° |
| C73 | C75 | C76 | 110.3° | 109.4° |
| C73 | C75 | C77 | 110.6° | 109.5° |
| C73 | C75 | H105 | 108.5° | 109.4° |
| O20 | C74 | N20 | 123.3° | 120.0° |
| C76 | C75 | C77 | 109.8° | 109.5° |
| C76 | C75 | H105 | 108.8° | 109.5° |
| C75 | C76 | C78 | 113.9° | 109.5° |
| C75 | C76 | H106 | 108.4° | 109.4° |
| C75 | C76 | H107 | 108.4° | 109.5° |
| C77 | C75 | H105 | 108.8° | 109.6° |
| C75 | C77 | H108 | 109.5° | 109.5° |
| C75 | C77 | H109 | 109.5° | 109.4° |
| C75 | C77 | H110 | 109.4° | 109.4° |
| C78 | C76 | H106 | 108.4° | 109.5° |
| C78 | C76 | H107 | 108.3° | 109.5° |
| C76 | C78 | H111 | 109.5° | 109.5° |
| C76 | C78 | H112 | 109.5° | 109.5° |
| C76 | C78 | H113 | 109.5° | 109.5° |
| H106 | C76 | H107 | 109.5° | 109.5° |
| H108 | C77 | H109 | 109.5° | 109.5° |
| H108 | C77 | H110 | 109.5° | 109.5° |
| H109 | C77 | H110 | 109.5° | 109.5° |
| H111 | C78 | H112 | 109.4° | 109.5° |
| H111 | C78 | H113 | 109.5° | 109.4° |
| H112 | C78 | H113 | 109.5° | 109.5° |
| C79 | N20 | H114 | 118.5° | 120.0° |
| N20 | C79 | C80 | 109.5° | 109.5° |
| N20 | C79 | C81 | 111.2° | 109.5° |
| N20 | C79 | H115 | 109.4° | 109.5° |
| C79 | N20 | C74 | 122.9° | 120.0° |
| H114 | N20 | C74 | 118.5° | 120.0° |
| C80 | C79 | C81 | 109.9° | 109.5° |
| C80 | C79 | H115 | 108.5° | 109.5° |
| C79 | C80 | O21 | 120.5° | 120.0° |
| C79 | C80 | N21 | 116.5° | 120.1° |
| C81 | C79 | H115 | 108.3° | 109.4° |
| C79 | C81 | O22 | 111.1° | 109.4° |
| C79 | C81 | H116 | 109.1° | 109.5° |
| C79 | C81 | H117 | 109.0° | 109.5° |
| O21 | C80 | N21 | 123.0° | 119.9° |
| O22 | C81 | H116 | 109.0° | 109.4° |
| O22 | C81 | H117 | 109.1° | 109.4° |
| C81 | O22 | H118 | 109.5° | 114.0° |
| H116 | C81 | H117 | 109.5° | 109.5° |
| C82 | N21 | H119 | 119.2° | 120.0° |
| N21 | C82 | C83 | 109.5° | 109.5° |
| N21 | C82 | C84 | 111.1° | 109.5° |
| N21 | C82 | H120 | 109.3° | 109.5° |
| C82 | N21 | C80 | 121.6° | 120.1° |
| H119 | N21 | C80 | 119.2° | 119.9° |
| C83 | C82 | C84 | 110.2° | 109.4° |
| C83 | C82 | H120 | 108.4° | 109.4° |
| C82 | C83 | O23 | 120.0° | 120.0° |
| C82 | C83 | N22 | 117.3° | 120.0° |
| C84 | C82 | H120 | 108.3° | 109.5° |
| C82 | C84 | C85 | 114.4° | 109.4° |
| C82 | C84 | H121 | 108.2° | 109.5° |
| C82 | C84 | H122 | 108.2° | 109.5° |
| O23 | C83 | N22 | 122.7° | 120.0° |
| C85 | C84 | H121 | 108.2° | 109.5° |
| C85 | C84 | H122 | 108.2° | 109.5° |
| C84 | C85 | C86 | 121.0° | 120.0° |
| C84 | C85 | C87 | 120.5° | 120.0° |
| H121 | C84 | H122 | 109.5° | 109.5° |
| C86 | C85 | C87 | 118.5° | 120.0° |
| C85 | C86 | C88 | 120.9° | 120.0° |
| C85 | C86 | H123 | 119.6° | 120.0° |
| C85 | C87 | C89 | 120.9° | 120.0° |
| C85 | C87 | H124 | 119.6° | 120.0° |
| C88 | C86 | H123 | 119.6° | 120.0° |
| C86 | C88 | C90 | 119.9° | 120.0° |
| C86 | C88 | H125 | 120.0° | 120.0° |
| C89 | C87 | H124 | 119.6° | 120.0° |
| C87 | C89 | C90 | 120.0° | 120.0° |
| C87 | C89 | H126 | 120.0° | 120.0° |
| C90 | C88 | H125 | 120.0° | 120.0° |
| C88 | C90 | C89 | 119.9° | 120.0° |
| C88 | C90 | H127 | 120.1° | 120.0° |
| C90 | C89 | H126 | 120.0° | 120.0° |
| C89 | C90 | H127 | 120.1° | 120.1° |
| C91 | N22 | H128 | 119.4° | 120.0° |
| N22 | C91 | C92 | 110.2° | 109.4° |
| N22 | C91 | C93 | 110.0° | 109.5° |
| N22 | C91 | H129 | 109.7° | 109.5° |
| C91 | N22 | C83 | 121.2° | 120.0° |
| H128 | N22 | C83 | 119.4° | 120.0° |
| C92 | C91 | C93 | 109.2° | 109.4° |
| C92 | C91 | H129 | 109.0° | 109.5° |
| C91 | C92 | O24 | 121.6° | 120.0° |
| C91 | C92 | N23 | 114.6° | 120.0° |
| C93 | C91 | H129 | 108.8° | 109.5° |
| C91 | C93 | C94 | 113.9° | 109.4° |
| C91 | C93 | H130 | 108.4° | 109.5° |
| C91 | C93 | H131 | 108.3° | 109.5° |
| O24 | C92 | N23 | 123.9° | 120.0° |
| C94 | C93 | H130 | 108.3° | 109.4° |
| C94 | C93 | H131 | 108.4° | 109.5° |
| C93 | C94 | C95 | 121.0° | 120.0° |
| C93 | C94 | C96 | 120.8° | 119.9° |
| H130 | C93 | H131 | 109.5° | 109.6° |
| C95 | C94 | C96 | 118.2° | 120.1° |
| C94 | C95 | C97 | 121.2° | 120.1° |
| C94 | C95 | H132 | 119.4° | 120.0° |
| C94 | C96 | C98 | 121.1° | 120.0° |
| C94 | C96 | H133 | 119.5° | 120.0° |
| C97 | C95 | H132 | 119.4° | 120.0° |
| C95 | C97 | C99 | 119.6° | 119.9° |
| C95 | C97 | H134 | 120.2° | 120.0° |
| C98 | C96 | H133 | 119.5° | 120.0° |
| C96 | C98 | C99 | 119.6° | 120.0° |
| C96 | C98 | H135 | 120.2° | 120.0° |
| C99 | C97 | H134 | 120.2° | 120.1° |
| C97 | C99 | C98 | 120.4° | 119.9° |
| C97 | C99 | O25 | 119.9° | 120.1° |
| C99 | C98 | H135 | 120.2° | 120.1° |
| C98 | C99 | O25 | 119.8° | 120.1° |
| C99 | O25 | H136 | 109.5° | 114.0° |
| C100 | N23 | H137 | 119.1° | 120.0° |
| N23 | C100 | C101 | 110.2° | 109.4° |
| N23 | C100 | H138 | 109.3° | 109.5° |
| N23 | C100 | H139 | 109.3° | 109.5° |
| C100 | N23 | C92 | 121.7° | 120.0° |
| H137 | N23 | C92 | 119.2° | 120.0° |
| C101 | C100 | H138 | 109.3° | 109.4° |
| C101 | C100 | H139 | 109.3° | 109.5° |
| C100 | C101 | O26 | 119.5° | 120.0° |
| C100 | C101 | O27 | 117.6° | 120.0° |
| H138 | C100 | H139 | 109.5° | 109.5° |
| O26 | C101 | O27 | 122.8° | 120.0° |
| C101 | O27 | H140 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C30 | 180.0° | 179.7° |
| N1 | C1 | C2 | H2 | 120.5° | 120.0° |
| N1 | C1 | C2 | H3 | 120.5° | 120.0° |
| N1 | C1 | H2 | H3 | 118.3° | 120.0° |
| N1 | C1 | C2 | O1 | 141.3° | 39.6° |
| C1 | N1 | C30 | C29 | 179.7° | 177.8° |
| C1 | N1 | C30 | O9 | 0.5° | 2.4° |
| N1 | C1 | C2 | N2 | 39.0° | 140.5° |
| H1 | N1 | C1 | C2 | 108.0° | 49.6° |
| H1 | N1 | C1 | H2 | 12.6° | 70.4° |
| H1 | N1 | C1 | H3 | 131.5° | 169.7° |
| H1 | N1 | C30 | C29 | 0.3° | 1.9° |
| H1 | N1 | C30 | O9 | 179.6° | 177.9° |
| C2 | C1 | H2 | H3 | 118.4° | 119.9° |
| C1 | C2 | O1 | N2 | 179.6° | 179.9° |
| C1 | C2 | N2 | C3 | 179.9° | 179.6° |
| C1 | C2 | N2 | H4 | 0.1° | 0.4° |
| C2 | C1 | N1 | C30 | 72.0° | 130.7° |
| H2 | C1 | C2 | O1 | 98.2° | 80.4° |
| H2 | C1 | N1 | C30 | 167.4° | 109.3° |
| H2 | C1 | C2 | N2 | 81.5° | 99.5° |
| H3 | C1 | C2 | O1 | 20.8° | 159.7° |
| H3 | C1 | N1 | C30 | 48.5° | 10.6° |
| H3 | C1 | C2 | N2 | 159.6° | 20.4° |
| O1 | C2 | N2 | C3 | 0.3° | 0.4° |
| O1 | C2 | N2 | H4 | 179.7° | 179.6° |
| C3 | N2 | H4 | C2 | 180.0° | 180.0° |
| N2 | C3 | C4 | H5 | 120.4° | 119.8° |
| N2 | C3 | C4 | H6 | 120.4° | 119.8° |
| N2 | C3 | H5 | H6 | 118.8° | 120.3° |
| N2 | C3 | C4 | O2 | 40.5° | 39.0° |
| N2 | C3 | C4 | N3 | 138.3° | 141.0° |
| H4 | N2 | C3 | C4 | 5.4° | 38.0° |
| H4 | N2 | C3 | H5 | 115.0° | 157.8° |
| H4 | N2 | C3 | H6 | 125.8° | 81.8° |
| C4 | C3 | H5 | H6 | 118.8° | 120.3° |
| C3 | C4 | O2 | N3 | 178.8° | 180.0° |
| C3 | C4 | N3 | C5 | 179.6° | 178.1° |
| C3 | C4 | N3 | H7 | 0.4° | 1.8° |
| C4 | C3 | N2 | C2 | 174.6° | 142.0° |
| H5 | C3 | C4 | O2 | 79.8° | 158.8° |
| H5 | C3 | N2 | C2 | 65.0° | 22.2° |
| H5 | C3 | C4 | N3 | 101.3° | 21.1° |
| H6 | C3 | C4 | O2 | 161.0° | 80.8° |
| H6 | C3 | N2 | C2 | 54.2° | 98.1° |
| H6 | C3 | C4 | N3 | 17.9° | 99.2° |
| O2 | C4 | N3 | C5 | 0.7° | 1.9° |
| O2 | C4 | N3 | H7 | 179.3° | 178.2° |
| C5 | N3 | H7 | C4 | 180.0° | 179.9° |
| N3 | C5 | C6 | C7 | 122.4° | 120.0° |
| N3 | C5 | C6 | H8 | 119.3° | 120.0° |
| N3 | C5 | C7 | H8 | 119.3° | 120.0° |
| N3 | C5 | C6 | O3 | 37.2° | 34.3° |
| N3 | C5 | C7 | H9 | 180.0° | 53.1° |
| N3 | C5 | C7 | H10 | 60.0° | 173.1° |
| N3 | C5 | C7 | H11 | 60.0° | 66.9° |
| N3 | C5 | C6 | N4 | 141.9° | 145.7° |
| H7 | N3 | C5 | C6 | 34.1° | 45.4° |
| H7 | N3 | C5 | C7 | 88.4° | 165.4° |
| H7 | N3 | C5 | H8 | 152.8° | 74.6° |
| C6 | C5 | C7 | H8 | 118.3° | 120.1° |
| C5 | C6 | O3 | N4 | 179.1° | 180.0° |
| C6 | C5 | C7 | H9 | 57.6° | 66.9° |
| C6 | C5 | C7 | H10 | 177.6° | 53.1° |
| C6 | C5 | C7 | H11 | 62.4° | 173.1° |
| C5 | C6 | N4 | C8 | 179.2° | 178.0° |
| C5 | C6 | N4 | H12 | 0.8° | 2.0° |
| C6 | C5 | N3 | C4 | 145.9° | 134.5° |
| C7 | C5 | C6 | O3 | 85.2° | 154.3° |
| C5 | C7 | H9 | H10 | 120.0° | 120.0° |
| C5 | C7 | H9 | H11 | 120.0° | 120.0° |
| C5 | C7 | H10 | H11 | 120.0° | 120.0° |
| C7 | C5 | N3 | C4 | 91.7° | 14.5° |
| C7 | C5 | C6 | N4 | 95.6° | 25.7° |
| H8 | C5 | C6 | O3 | 156.5° | 85.7° |
| H8 | C5 | C7 | H9 | 60.7° | 173.0° |
| H8 | C5 | C7 | H10 | 59.3° | 66.9° |
| H8 | C5 | C7 | H11 | 179.3° | 53.0° |
| H8 | C5 | N3 | C4 | 27.2° | 105.5° |
| H8 | C5 | C6 | N4 | 22.7° | 94.3° |
| O3 | C6 | N4 | C8 | 0.1° | 2.0° |
| O3 | C6 | N4 | H12 | 180.0° | 178.0° |
| H9 | C7 | H10 | H11 | 120.0° | 120.0° |
| C8 | N4 | H12 | C6 | 180.0° | 179.9° |
| N4 | C8 | C9 | H13 | 120.4° | 119.7° |
| N4 | C8 | C9 | H14 | 120.4° | 119.7° |
| N4 | C8 | H13 | H14 | 118.9° | 120.3° |
| N4 | C8 | C9 | O4 | 52.6° | 40.3° |
| N4 | C8 | C9 | N5 | 127.5° | 139.7° |
| H12 | N4 | C8 | C9 | 7.8° | 37.3° |
| H12 | N4 | C8 | H13 | 112.6° | 157.0° |
| H12 | N4 | C8 | H14 | 128.1° | 82.5° |
| C9 | C8 | H13 | H14 | 118.9° | 120.5° |
| C8 | C9 | O4 | N5 | 179.9° | 180.0° |
| C8 | C9 | N5 | C10 | 179.9° | 178.0° |
| C8 | C9 | N5 | H15 | 0.1° | 2.0° |
| C9 | C8 | N4 | C6 | 172.2° | 142.8° |
| H13 | C8 | C9 | O4 | 67.8° | 160.0° |
| H13 | C8 | N4 | C6 | 67.4° | 23.1° |
| H13 | C8 | C9 | N5 | 112.1° | 19.9° |
| H14 | C8 | C9 | O4 | 172.9° | 79.4° |
| H14 | C8 | N4 | C6 | 51.9° | 97.4° |
| H14 | C8 | C9 | N5 | 7.2° | 100.6° |
| O4 | C9 | N5 | C10 | 0.0° | 2.0° |
| O4 | C9 | N5 | H15 | 180.0° | 178.0° |
| C10 | N5 | H15 | C9 | 180.0° | 180.0° |
| N5 | C10 | C11 | C12 | 122.6° | 119.9° |
| N5 | C10 | C11 | H16 | 119.7° | 119.9° |
| N5 | C10 | C12 | H16 | 119.8° | 120.2° |
| N5 | C10 | C11 | O5 | 143.4° | 45.6° |
| N5 | C10 | C12 | C13 | 53.9° | 92.4° |
| N5 | C10 | C12 | H17 | 66.8° | 27.5° |
| N5 | C10 | C12 | H18 | 174.6° | 147.6° |
| N5 | C10 | C11 | N8 | 37.2° | 134.4° |
| H15 | N5 | C10 | C11 | 63.1° | 17.2° |
| H15 | N5 | C10 | C12 | 58.5° | 137.0° |
| H15 | N5 | C10 | H16 | 177.7° | 102.7° |
| C11 | C10 | C12 | H16 | 117.8° | 120.1° |
| C10 | C11 | O5 | N8 | 179.4° | 180.0° |
| C11 | C10 | C12 | C13 | 176.4° | 147.9° |
| C11 | C10 | C12 | H17 | 55.7° | 92.1° |
| C11 | C10 | C12 | H18 | 62.9° | 27.9° |
| C10 | C11 | N8 | C16 | 179.5° | 176.9° |
| C10 | C11 | N8 | H23 | 0.5° | 3.0° |
| C11 | C10 | N5 | C9 | 116.9° | 162.8° |
| C12 | C10 | C11 | O5 | 94.0° | 165.5° |
| C10 | C12 | C13 | H17 | 120.7° | 120.0° |
| C10 | C12 | C13 | H18 | 120.7° | 120.0° |
| C10 | C12 | H17 | H18 | 117.8° | 120.1° |
| C10 | C12 | C13 | N6 | 78.8° | 135.4° |
| C10 | C12 | C13 | C14 | 100.3° | 44.9° |
| C12 | C10 | N5 | C9 | 121.5° | 43.0° |
| C12 | C10 | C11 | N8 | 85.4° | 14.5° |
| H16 | C10 | C11 | O5 | 23.7° | 74.3° |
| H16 | C10 | C12 | C13 | 65.9° | 27.8° |
| H16 | C10 | C12 | H17 | 173.4° | 147.7° |
| H16 | C10 | C12 | H18 | 54.9° | 92.2° |
| H16 | C10 | N5 | C9 | 2.3° | 77.2° |
| H16 | C10 | C11 | N8 | 156.9° | 105.7° |
| O5 | C11 | N8 | C16 | 0.1° | 3.1° |
| O5 | C11 | N8 | H23 | 179.9° | 177.0° |
| C13 | C12 | H17 | H18 | 117.8° | 120.0° |
| C12 | C13 | N6 | C14 | 179.3° | 179.8° |
| C12 | C13 | N6 | C15 | 179.1° | 180.0° |
| C12 | C13 | N6 | H19 | 0.9° | 0.0° |
| C12 | C13 | C14 | N7 | 179.0° | 180.0° |
| C12 | C13 | C14 | H20 | 1.0° | 0.0° |
| H17 | C12 | C13 | N6 | 41.9° | 15.4° |
| H17 | C12 | C13 | C14 | 138.9° | 164.9° |
| H18 | C12 | C13 | N6 | 160.5° | 104.6° |
| H18 | C12 | C13 | C14 | 20.4° | 75.1° |
| C13 | N6 | C15 | H19 | 180.0° | 180.0° |
| N6 | C13 | C14 | N7 | 0.2° | 0.2° |
| N6 | C13 | C14 | H20 | 179.8° | 179.7° |
| C13 | N6 | C15 | N7 | 0.2° | 0.1° |
| C13 | N6 | C15 | H21 | 179.8° | 180.0° |
| C14 | C13 | N6 | C15 | 0.2° | 0.2° |
| C14 | C13 | N6 | H19 | 179.8° | 179.8° |
| C13 | C14 | N7 | H20 | 180.0° | 180.0° |
| C13 | C14 | N7 | C15 | 0.1° | 0.1° |
| C13 | C14 | N7 | H22 | 179.9° | 179.9° |
| N6 | C15 | N7 | C14 | 0.0° | 0.0° |
| N6 | C15 | N7 | H21 | 180.0° | 179.8° |
| N6 | C15 | N7 | H22 | 180.0° | 179.8° |
| H19 | N6 | C15 | N7 | 179.8° | 179.9° |
| H19 | N6 | C15 | H21 | 0.1° | 0.1° |
| C14 | N7 | C15 | H22 | 180.0° | 179.8° |
| C14 | N7 | C15 | H21 | 180.0° | 179.8° |
| H20 | C14 | N7 | C15 | 179.9° | 179.8° |
| H20 | C14 | N7 | H22 | 0.1° | 0.0° |
| H21 | C15 | N7 | H22 | 0.0° | 0.0° |
| C16 | N8 | H23 | C11 | 180.0° | 179.9° |
| N8 | C16 | C17 | C18 | 122.8° | 120.2° |
| N8 | C16 | C17 | H24 | 119.6° | 120.2° |
| N8 | C16 | C18 | H24 | 120.1° | 119.8° |
| N8 | C16 | C17 | O6 | 59.1° | 44.4° |
| N8 | C16 | C18 | C19 | 177.9° | 161.6° |
| N8 | C16 | C18 | C20 | 54.6° | 41.6° |
| N8 | C16 | C18 | H25 | 63.7° | 78.5° |
| N8 | C16 | C17 | N9 | 120.2° | 135.5° |
| H23 | N8 | C16 | C17 | 91.5° | 59.3° |
| H23 | N8 | C16 | C18 | 30.0° | 60.8° |
| H23 | N8 | C16 | H24 | 149.4° | 179.4° |
| C17 | C16 | C18 | H24 | 117.8° | 119.7° |
| C16 | C17 | O6 | N9 | 179.2° | 179.9° |
| C17 | C16 | C18 | C19 | 60.0° | 77.9° |
| C17 | C16 | C18 | C20 | 176.7° | 162.1° |
| C17 | C16 | C18 | H25 | 58.5° | 42.1° |
| C16 | C17 | N9 | C21 | 179.3° | 179.2° |
| C16 | C17 | N9 | C25 | 0.2° | 0.4° |
| C17 | C16 | N8 | C11 | 88.4° | 120.8° |
| C18 | C16 | C17 | O6 | 63.7° | 164.6° |
| C16 | C18 | C19 | C20 | 123.2° | 120.0° |
| C16 | C18 | C19 | H25 | 118.3° | 120.0° |
| C16 | C18 | C20 | H25 | 118.1° | 120.0° |
| C16 | C18 | C19 | H26 | 180.0° | 91.1° |
| C16 | C18 | C19 | H27 | 60.0° | 148.8° |
| C16 | C18 | C19 | H28 | 60.0° | 28.8° |
| C16 | C18 | C20 | H29 | 180.0° | 65.0° |
| C16 | C18 | C20 | H30 | 60.0° | 175.0° |
| C16 | C18 | C20 | H31 | 60.0° | 55.0° |
| C18 | C16 | N8 | C11 | 150.0° | 119.1° |
| C18 | C16 | C17 | N9 | 117.1° | 15.3° |
| H24 | C16 | C17 | O6 | 178.7° | 75.7° |
| H24 | C16 | C18 | C19 | 57.8° | 41.8° |
| H24 | C16 | C18 | C20 | 65.5° | 78.2° |
| H24 | C16 | C18 | H25 | 176.3° | 161.7° |
| H24 | C16 | N8 | C11 | 30.6° | 0.7° |
| H24 | C16 | C17 | N9 | 0.6° | 104.4° |
| O6 | C17 | N9 | C21 | 0.1° | 0.7° |
| O6 | C17 | N9 | C25 | 179.1° | 179.5° |
| C19 | C18 | C20 | H25 | 118.5° | 120.0° |
| C18 | C19 | H26 | H27 | 120.0° | 120.0° |
| C18 | C19 | H26 | H28 | 120.0° | 120.0° |
| C18 | C19 | H27 | H28 | 120.0° | 120.0° |
| C19 | C18 | C20 | H29 | 56.6° | 175.0° |
| C19 | C18 | C20 | H30 | 63.4° | 55.0° |
| C19 | C18 | C20 | H31 | 176.6° | 65.0° |
| C20 | C18 | C19 | H26 | 56.8° | 28.8° |
| C20 | C18 | C19 | H27 | 176.8° | 91.2° |
| C20 | C18 | C19 | H28 | 63.2° | 148.8° |
| C18 | C20 | H29 | H30 | 120.0° | 120.0° |
| C18 | C20 | H29 | H31 | 120.0° | 120.0° |
| C18 | C20 | H30 | H31 | 120.0° | 120.0° |
| H25 | C18 | C19 | H26 | 61.7° | 148.9° |
| H25 | C18 | C19 | H27 | 58.3° | 28.9° |
| H25 | C18 | C19 | H28 | 178.3° | 91.2° |
| H25 | C18 | C20 | H29 | 61.9° | 55.0° |
| H25 | C18 | C20 | H30 | 178.1° | 65.0° |
| H25 | C18 | C20 | H31 | 58.1° | 175.0° |
| H26 | C19 | H27 | H28 | 120.0° | 119.9° |
| H29 | C20 | H30 | H31 | 120.0° | 120.0° |
| C21 | N9 | C25 | C17 | 179.2° | 179.0° |
| N9 | C21 | C22 | C23 | 115.6° | 118.0° |
| N9 | C21 | C22 | H32 | 123.6° | 120.2° |
| N9 | C21 | C23 | H32 | 117.7° | 118.2° |
| N9 | C21 | C22 | O7 | 41.0° | 18.0° |
| N9 | C21 | C23 | C24 | 23.9° | 24.5° |
| N9 | C21 | C23 | H33 | 143.2° | 94.0° |
| N9 | C21 | C23 | H34 | 95.4° | 143.2° |
| C21 | N9 | C25 | C24 | 12.4° | 14.5° |
| C21 | N9 | C25 | H37 | 106.7° | 105.0° |
| C21 | N9 | C25 | H38 | 131.4° | 134.1° |
| N9 | C21 | C22 | N10 | 139.1° | 162.0° |
| C25 | N9 | C21 | C22 | 112.7° | 145.4° |
| C25 | N9 | C21 | C23 | 7.1° | 24.7° |
| C25 | N9 | C21 | H32 | 124.2° | 93.5° |
| N9 | C25 | C24 | C23 | 27.4° | 1.3° |
| N9 | C25 | C24 | H37 | 119.0° | 119.5° |
| N9 | C25 | C24 | H38 | 119.0° | 119.6° |
| N9 | C25 | C24 | H35 | 92.0° | 120.5° |
| N9 | C25 | C24 | H36 | 146.9° | 118.0° |
| N9 | C25 | H37 | H38 | 122.7° | 120.9° |
| C22 | C21 | C23 | H32 | 120.7° | 122.7° |
| C21 | C22 | O7 | N10 | 179.8° | 179.9° |
| C22 | C21 | C23 | C24 | 97.6° | 143.7° |
| C22 | C21 | C23 | H33 | 21.6° | 25.1° |
| C22 | C21 | C23 | H34 | 143.1° | 97.7° |
| C21 | C22 | N10 | C26 | 179.7° | 144.0° |
| C21 | C22 | N10 | H39 | 0.3° | 35.9° |
| C22 | C21 | N9 | C17 | 68.1° | 33.6° |
| C23 | C21 | C22 | O7 | 74.6° | 100.1° |
| C21 | C23 | C24 | H33 | 119.3° | 118.6° |
| C21 | C23 | C24 | H34 | 119.3° | 118.7° |
| C21 | C23 | H33 | H34 | 122.1° | 122.8° |
| C21 | C23 | C24 | C25 | 32.4° | 15.5° |
| C21 | C23 | C24 | H35 | 87.1° | 134.7° |
| C21 | C23 | C24 | H36 | 151.8° | 103.8° |
| C23 | C21 | N9 | C17 | 172.2° | 154.3° |
| C23 | C21 | C22 | N10 | 105.2° | 80.0° |
| H32 | C21 | C22 | O7 | 164.7° | 138.2° |
| H32 | C21 | C23 | C24 | 141.6° | 93.6° |
| H32 | C21 | C23 | H33 | 99.1° | 147.8° |
| H32 | C21 | C23 | H34 | 22.3° | 25.0° |
| H32 | C21 | N9 | C17 | 55.1° | 87.6° |
| H32 | C21 | C22 | N10 | 15.5° | 41.8° |
| O7 | C22 | N10 | C26 | 0.1° | 35.9° |
| O7 | C22 | N10 | H39 | 179.8° | 144.1° |
| C24 | C23 | H33 | H34 | 122.1° | 122.7° |
| C23 | C24 | C25 | H35 | 119.5° | 119.2° |
| C23 | C24 | C25 | H36 | 119.4° | 119.2° |
| C23 | C24 | H35 | H36 | 121.6° | 121.5° |
| C23 | C24 | C25 | H37 | 91.6° | 120.8° |
| C23 | C24 | C25 | H38 | 146.5° | 118.3° |
| H33 | C23 | C24 | C25 | 151.6° | 103.1° |
| H33 | C23 | C24 | H35 | 32.2° | 16.1° |
| H33 | C23 | C24 | H36 | 88.9° | 137.6° |
| H34 | C23 | C24 | C25 | 86.9° | 134.1° |
| H34 | C23 | C24 | H35 | 153.6° | 106.7° |
| H34 | C23 | C24 | H36 | 32.5° | 14.8° |
| C25 | C24 | H35 | H36 | 121.6° | 121.5° |
| C24 | C25 | H37 | H38 | 122.7° | 120.9° |
| C24 | C25 | N9 | C17 | 168.4° | 164.5° |
| H35 | C24 | C25 | H37 | 148.9° | 120.0° |
| H35 | C24 | C25 | H38 | 27.0° | 1.0° |
| H36 | C24 | C25 | H37 | 27.8° | 1.6° |
| H36 | C24 | C25 | H38 | 94.1° | 122.5° |
| H37 | C25 | N9 | C17 | 72.5° | 76.0° |
| H38 | C25 | N9 | C17 | 49.4° | 44.9° |
| C26 | N10 | H39 | C22 | 180.0° | 180.0° |
| N10 | C26 | C27 | C28 | 122.8° | 121.1° |
| N10 | C26 | C27 | H40 | 119.9° | 119.5° |
| N10 | C26 | C28 | H40 | 119.4° | 120.3° |
| N10 | C26 | C27 | O8 | 105.7° | 121.0° |
| N10 | C26 | C28 | C29 | 87.8° | 150.7° |
| N10 | C26 | C28 | H41 | 33.0° | 30.8° |
| N10 | C26 | C28 | H42 | 151.5° | 89.5° |
| N10 | C26 | C27 | N11 | 75.6° | 59.0° |
| H39 | N10 | C26 | C27 | 84.7° | 161.1° |
| H39 | N10 | C26 | C28 | 37.2° | 40.8° |
| H39 | N10 | C26 | H40 | 156.0° | 79.4° |
| C27 | C26 | C28 | H40 | 117.4° | 119.4° |
| C26 | C27 | O8 | N11 | 178.6° | 179.9° |
| C27 | C26 | C28 | C29 | 149.0° | 89.0° |
| C27 | C26 | C28 | H41 | 90.3° | 151.1° |
| C27 | C26 | C28 | H42 | 28.3° | 30.8° |
| C26 | C27 | N11 | C31 | 178.7° | 176.4° |
| C26 | C27 | N11 | H45 | 1.2° | 3.7° |
| C27 | C26 | N10 | C22 | 95.3° | 18.9° |
| C28 | C26 | C27 | O8 | 131.5° | 117.9° |
| C26 | C28 | C29 | H41 | 120.7° | 119.8° |
| C26 | C28 | C29 | H42 | 120.7° | 119.8° |
| C26 | C28 | H41 | H42 | 117.8° | 120.3° |
| C26 | C28 | C29 | C30 | 174.4° | 107.6° |
| C26 | C28 | C29 | H43 | 54.0° | 12.6° |
| C26 | C28 | C29 | H44 | 65.1° | 132.5° |
| C28 | C26 | N10 | C22 | 142.8° | 139.2° |
| C28 | C26 | C27 | N11 | 47.2° | 62.1° |
| H40 | C26 | C27 | O8 | 14.2° | 1.5° |
| H40 | C26 | C28 | C29 | 31.6° | 30.4° |
| H40 | C26 | C28 | H41 | 152.3° | 89.4° |
| H40 | C26 | C28 | H42 | 89.1° | 150.2° |
| H40 | C26 | N10 | C22 | 24.0° | 100.6° |
| H40 | C26 | C27 | N11 | 164.5° | 178.5° |
| O8 | C27 | N11 | C31 | 0.1° | 3.6° |
| O8 | C27 | N11 | H45 | 179.9° | 176.4° |
| C29 | C28 | H41 | H42 | 117.8° | 120.3° |
| C28 | C29 | C30 | H43 | 120.5° | 120.1° |
| C28 | C29 | C30 | H44 | 120.5° | 120.0° |
| C28 | C29 | H43 | H44 | 118.6° | 120.0° |
| C28 | C29 | C30 | O9 | 169.2° | 15.0° |
| C28 | C29 | C30 | N1 | 11.0° | 164.8° |
| H41 | C28 | C29 | C30 | 64.9° | 132.6° |
| H41 | C28 | C29 | H43 | 174.7° | 107.3° |
| H41 | C28 | C29 | H44 | 55.6° | 12.7° |
| H42 | C28 | C29 | C30 | 53.7° | 12.2° |
| H42 | C28 | C29 | H43 | 66.7° | 132.3° |
| H42 | C28 | C29 | H44 | 174.2° | 107.7° |
| C30 | C29 | H43 | H44 | 118.6° | 119.8° |
| C29 | C30 | O9 | N1 | 179.8° | 179.8° |
| H43 | C29 | C30 | O9 | 48.7° | 135.1° |
| H43 | C29 | C30 | N1 | 131.4° | 44.7° |
| H44 | C29 | C30 | O9 | 70.4° | 105.0° |
| H44 | C29 | C30 | N1 | 109.5° | 75.2° |
| C31 | N11 | H45 | C27 | 180.0° | 180.0° |
| N11 | C31 | C32 | C33 | 123.3° | 120.0° |
| N11 | C31 | C32 | H46 | 119.7° | 120.0° |
| N11 | C31 | C33 | H46 | 119.1° | 120.0° |
| N11 | C31 | C32 | O10 | 40.5° | 9.1° |
| N11 | C31 | C33 | C34 | 60.5° | 72.9° |
| N11 | C31 | C33 | H47 | 60.3° | 47.0° |
| N11 | C31 | C33 | H48 | 178.8° | 167.1° |
| N11 | C31 | C32 | N12 | 140.6° | 170.8° |
| H45 | N11 | C31 | C32 | 72.6° | 22.2° |
| H45 | N11 | C31 | C33 | 49.6° | 97.8° |
| H45 | N11 | C31 | H46 | 168.1° | 142.2° |
| C32 | C31 | C33 | H46 | 117.1° | 120.0° |
| C31 | C32 | O10 | N12 | 178.8° | 179.9° |
| C32 | C31 | C33 | C34 | 175.8° | 167.0° |
| C32 | C31 | C33 | H47 | 63.5° | 73.0° |
| C32 | C31 | C33 | H48 | 55.0° | 47.0° |
| C31 | C32 | N12 | C40 | 178.9° | 164.5° |
| C31 | C32 | N12 | H54 | 1.1° | 15.6° |
| C32 | C31 | N11 | C27 | 107.4° | 157.8° |
| C33 | C31 | C32 | O10 | 82.8° | 129.1° |
| C31 | C33 | C34 | H47 | 120.7° | 119.9° |
| C31 | C33 | C34 | H48 | 120.7° | 120.0° |
| C31 | C33 | H47 | H48 | 117.7° | 120.0° |
| C31 | C33 | C34 | C35 | 72.9° | 74.7° |
| C31 | C33 | C34 | C36 | 107.1° | 105.7° |
| C33 | C31 | N11 | C27 | 130.4° | 82.1° |
| C33 | C31 | C32 | N12 | 96.1° | 50.8° |
| H46 | C31 | C32 | O10 | 160.2° | 110.9° |
| H46 | C31 | C33 | C34 | 58.7° | 47.0° |
| H46 | C31 | C33 | H47 | 179.4° | 167.0° |
| H46 | C31 | C33 | H48 | 62.1° | 72.9° |
| H46 | C31 | N11 | C27 | 11.8° | 37.8° |
| H46 | C31 | C32 | N12 | 20.9° | 69.2° |
| O10 | C32 | N12 | C40 | 0.1° | 15.4° |
| O10 | C32 | N12 | H54 | 179.9° | 164.5° |
| C34 | C33 | H47 | H48 | 117.8° | 120.1° |
| C33 | C34 | C35 | C36 | 179.9° | 179.7° |
| C33 | C34 | C35 | C37 | 179.9° | 179.9° |
| C33 | C34 | C35 | H49 | 0.0° | 0.0° |
| C33 | C34 | C36 | C38 | 180.0° | 180.0° |
| C33 | C34 | C36 | H50 | 0.0° | 0.1° |
| H47 | C33 | C34 | C35 | 47.9° | 45.2° |
| H47 | C33 | C34 | C36 | 132.2° | 134.4° |
| H48 | C33 | C34 | C35 | 166.4° | 165.3° |
| H48 | C33 | C34 | C36 | 13.7° | 14.3° |
| C34 | C35 | C37 | H49 | 180.0° | 180.0° |
| C35 | C34 | C36 | C38 | 0.1° | 0.3° |
| C35 | C34 | C36 | H50 | 179.9° | 179.8° |
| C34 | C35 | C37 | C39 | 0.0° | 0.0° |
| C34 | C35 | C37 | H51 | 180.0° | 179.9° |
| C36 | C34 | C35 | C37 | 0.0° | 0.3° |
| C36 | C34 | C35 | H49 | 180.0° | 179.7° |
| C34 | C36 | C38 | H50 | 180.0° | 179.9° |
| C34 | C36 | C38 | C39 | 0.1° | 0.0° |
| C34 | C36 | C38 | H52 | 179.9° | 180.0° |
| C35 | C37 | C39 | H51 | 180.0° | 179.9° |
| C35 | C37 | C39 | C38 | 0.0° | 0.3° |
| C35 | C37 | C39 | O11 | 180.0° | 179.9° |
| H49 | C35 | C37 | C39 | 180.0° | 180.0° |
| H49 | C35 | C37 | H51 | 0.0° | 0.1° |
| C36 | C38 | C39 | C37 | 0.1° | 0.3° |
| C36 | C38 | C39 | H52 | 180.0° | 180.0° |
| C36 | C38 | C39 | O11 | 180.0° | 180.0° |
| H50 | C36 | C38 | C39 | 179.9° | 180.0° |
| H50 | C36 | C38 | H52 | 0.1° | 0.1° |
| C37 | C39 | C38 | O11 | 180.0° | 179.8° |
| C37 | C39 | C38 | H52 | 179.9° | 179.7° |
| C37 | C39 | O11 | H53 | 180.0° | 75.8° |
| H51 | C37 | C39 | C38 | 180.0° | 179.8° |
| H51 | C37 | C39 | O11 | 0.0° | 0.0° |
| C38 | C39 | O11 | H53 | 0.0° | 104.0° |
| H52 | C38 | C39 | O11 | 0.0° | 0.1° |
| C40 | N12 | H54 | C32 | 180.0° | 179.9° |
| N12 | C40 | C41 | C42 | 121.9° | 120.0° |
| N12 | C40 | C41 | H55 | 119.9° | 120.0° |
| N12 | C40 | C42 | H55 | 121.5° | 120.0° |
| N12 | C40 | C41 | O12 | 32.6° | 5.2° |
| N12 | C40 | C42 | C43 | 53.9° | 75.6° |
| N12 | C40 | C42 | H56 | 67.0° | 44.4° |
| N12 | C40 | C42 | H57 | 174.8° | 164.5° |
| N12 | C40 | C41 | N13 | 147.7° | 174.8° |
| H54 | N12 | C40 | C41 | 64.2° | 26.8° |
| H54 | N12 | C40 | C42 | 55.6° | 93.2° |
| H54 | N12 | C40 | H55 | 176.5° | 146.8° |
| C41 | C40 | C42 | H55 | 118.3° | 120.0° |
| C40 | C41 | O12 | N13 | 179.7° | 180.0° |
| C41 | C40 | C42 | C43 | 174.1° | 164.4° |
| C41 | C40 | C42 | H56 | 53.2° | 75.6° |
| C41 | C40 | C42 | H57 | 65.0° | 44.4° |
| C40 | C41 | N13 | C49 | 179.4° | 175.0° |
| C40 | C41 | N13 | H63 | 0.7° | 5.1° |
| C41 | C40 | N12 | C32 | 115.8° | 153.2° |
| C42 | C40 | C41 | O12 | 89.3° | 114.8° |
| C40 | C42 | C43 | H56 | 120.9° | 120.0° |
| C40 | C42 | C43 | H57 | 120.9° | 120.0° |
| C40 | C42 | H56 | H57 | 117.2° | 120.0° |
| C40 | C42 | C43 | C44 | 64.3° | 84.7° |
| C40 | C42 | C43 | C45 | 116.5° | 95.6° |
| C42 | C40 | N12 | C32 | 124.4° | 86.8° |
| C42 | C40 | C41 | N13 | 90.4° | 65.2° |
| H55 | C40 | C41 | O12 | 152.5° | 125.2° |
| H55 | C40 | C42 | C43 | 67.6° | 44.4° |
| H55 | C40 | C42 | H56 | 171.5° | 164.4° |
| H55 | C40 | C42 | H57 | 53.3° | 75.6° |
| H55 | C40 | N12 | C32 | 3.5° | 33.2° |
| H55 | C40 | C41 | N13 | 27.8° | 54.8° |
| O12 | C41 | N13 | C49 | 0.3° | 5.1° |
| O12 | C41 | N13 | H63 | 179.6° | 174.9° |
| C43 | C42 | H56 | H57 | 117.2° | 120.0° |
| C42 | C43 | C44 | C45 | 179.2° | 179.7° |
| C42 | C43 | C44 | C46 | 179.3° | 180.0° |
| C42 | C43 | C44 | H58 | 0.7° | 0.0° |
| C42 | C43 | C45 | C47 | 179.5° | 180.0° |
| C42 | C43 | C45 | H59 | 0.5° | 0.0° |
| H56 | C42 | C43 | C44 | 56.6° | 35.3° |
| H56 | C42 | C43 | C45 | 122.6° | 144.4° |
| H57 | C42 | C43 | C44 | 174.8° | 155.3° |
| H57 | C42 | C43 | C45 | 4.4° | 24.4° |
| C43 | C44 | C46 | H58 | 180.0° | 180.0° |
| C44 | C43 | C45 | C47 | 0.3° | 0.3° |
| C44 | C43 | C45 | H59 | 179.7° | 179.7° |
| C43 | C44 | C46 | C48 | 0.0° | NaN° |
| C43 | C44 | C46 | H60 | 180.0° | 180.0° |
| C45 | C43 | C44 | C46 | 0.1° | 0.3° |
| C45 | C43 | C44 | H58 | 179.9° | 179.7° |
| C43 | C45 | C47 | H59 | 180.0° | 180.0° |
| C43 | C45 | C47 | C48 | 0.3° | 0.0° |
| C43 | C45 | C47 | H61 | 179.7° | 179.9° |
| C44 | C46 | C48 | H60 | 180.0° | 180.0° |
| C44 | C46 | C48 | C47 | 0.1° | 0.3° |
| C44 | C46 | C48 | H62 | 179.9° | 180.0° |
| H58 | C44 | C46 | C48 | 179.9° | 180.0° |
| H58 | C44 | C46 | H60 | 0.1° | 0.0° |
| C45 | C47 | C48 | C46 | 0.1° | 0.3° |
| C45 | C47 | C48 | H61 | 180.0° | 179.9° |
| C45 | C47 | C48 | H62 | 179.9° | 180.0° |
| H59 | C45 | C47 | C48 | 179.7° | 180.0° |
| H59 | C45 | C47 | H61 | 0.3° | 0.0° |
| C46 | C48 | C47 | H62 | 180.0° | 179.7° |
| C46 | C48 | C47 | H61 | 179.9° | 179.7° |
| H60 | C46 | C48 | C47 | 179.9° | 179.7° |
| H60 | C46 | C48 | H62 | 0.1° | 0.0° |
| H61 | C47 | C48 | H62 | 0.1° | 0.0° |
| C49 | N13 | H63 | C41 | 180.0° | 180.0° |
| N13 | C49 | C50 | C51 | 124.4° | 120.0° |
| N13 | C49 | C50 | H64 | 118.8° | 120.0° |
| N13 | C49 | C51 | H64 | 119.4° | 120.0° |
| N13 | C49 | C50 | O13 | 12.3° | 5.2° |
| N13 | C49 | C51 | C52 | 65.0° | 65.1° |
| N13 | C49 | C51 | C53 | 58.1° | 54.9° |
| N13 | C49 | C51 | H65 | 176.7° | 174.9° |
| N13 | C49 | C50 | N14 | 168.0° | 174.8° |
| H63 | N13 | C49 | C50 | 93.4° | 30.1° |
| H63 | N13 | C49 | C51 | 29.6° | 89.8° |
| H63 | N13 | C49 | H64 | 148.3° | 150.1° |
| C50 | C49 | C51 | H64 | 116.9° | 120.0° |
| C49 | C50 | O13 | N14 | 179.7° | 180.0° |
| C50 | C49 | C51 | C52 | 171.3° | 174.9° |
| C50 | C49 | C51 | C53 | 65.6° | 65.1° |
| C50 | C49 | C51 | H65 | 53.0° | 54.9° |
| C49 | C50 | N14 | C54 | 179.3° | 175.0° |
| C49 | C50 | N14 | H72 | 0.6° | 5.0° |
| C50 | C49 | N13 | C41 | 86.6° | 149.8° |
| C51 | C49 | C50 | O13 | 136.7° | 114.8° |
| C49 | C51 | C52 | C53 | 123.4° | 120.0° |
| C49 | C51 | C52 | H65 | 118.0° | 120.0° |
| C49 | C51 | C53 | H65 | 118.4° | 120.0° |
| C49 | C51 | C52 | H66 | 180.0° | 55.1° |
| C49 | C51 | C52 | H67 | 60.0° | 175.0° |
| C49 | C51 | C52 | H68 | 60.0° | 64.9° |
| C49 | C51 | C53 | H69 | 180.0° | 55.0° |
| C49 | C51 | C53 | H70 | 60.0° | 175.0° |
| C49 | C51 | C53 | H71 | 60.0° | 65.0° |
| C51 | C49 | N13 | C41 | 150.4° | 90.2° |
| C51 | C49 | C50 | N14 | 43.6° | 65.2° |
| H64 | C49 | C50 | O13 | 106.6° | 125.2° |
| H64 | C49 | C51 | C52 | 54.4° | 54.9° |
| H64 | C49 | C51 | C53 | 177.5° | 174.9° |
| H64 | C49 | C51 | H65 | 63.9° | 65.1° |
| H64 | C49 | N13 | C41 | 31.6° | 29.8° |
| H64 | C49 | C50 | N14 | 73.2° | 54.8° |
| O13 | C50 | N14 | C54 | 0.4° | 5.0° |
| O13 | C50 | N14 | H72 | 179.6° | 175.0° |
| C52 | C51 | C53 | H65 | 118.6° | 120.0° |
| C51 | C52 | H66 | H67 | 120.0° | 119.9° |
| C51 | C52 | H66 | H68 | 120.0° | 120.1° |
| C51 | C52 | H67 | H68 | 120.0° | 120.1° |
| C52 | C51 | C53 | H69 | 57.0° | 175.0° |
| C52 | C51 | C53 | H70 | 63.0° | 65.0° |
| C52 | C51 | C53 | H71 | 177.0° | 55.0° |
| C53 | C51 | C52 | H66 | 56.6° | 64.9° |
| C53 | C51 | C52 | H67 | 176.6° | 55.0° |
| C53 | C51 | C52 | H68 | 63.4° | 175.1° |
| C51 | C53 | H69 | H70 | 120.0° | 120.0° |
| C51 | C53 | H69 | H71 | 120.0° | 120.0° |
| C51 | C53 | H70 | H71 | 120.0° | 120.0° |
| H65 | C51 | C52 | H66 | 62.0° | 175.1° |
| H65 | C51 | C52 | H67 | 58.0° | 65.0° |
| H65 | C51 | C52 | H68 | 178.0° | 55.1° |
| H65 | C51 | C53 | H69 | 61.5° | 65.0° |
| H65 | C51 | C53 | H70 | 178.4° | 55.0° |
| H65 | C51 | C53 | H71 | 58.4° | 175.0° |
| H66 | C52 | H67 | H68 | 120.0° | 120.0° |
| H69 | C53 | H70 | H71 | 120.0° | 120.0° |
| C54 | N14 | H72 | C50 | 180.0° | 180.0° |
| N14 | C54 | C55 | H73 | 120.6° | 120.0° |
| N14 | C54 | C55 | H74 | 120.6° | 120.0° |
| N14 | C54 | H73 | H74 | 118.1° | 120.0° |
| N14 | C54 | C55 | O14 | 137.9° | 0.0° |
| N14 | C54 | C55 | N15 | 42.2° | 180.0° |
| H72 | N14 | C54 | C55 | 122.5° | 0.0° |
| H72 | N14 | C54 | H73 | 116.9° | 120.0° |
| H72 | N14 | C54 | H74 | 1.9° | 120.0° |
| C55 | C54 | H73 | H74 | 118.1° | 120.0° |
| C54 | C55 | O14 | N15 | 179.9° | 179.9° |
| C54 | C55 | N15 | C56 | 179.8° | 174.7° |
| C54 | C55 | N15 | H75 | 0.2° | 5.2° |
| C55 | C54 | N14 | C50 | 57.6° | 180.0° |
| H73 | C54 | C55 | O14 | 17.2° | 120.0° |
| H73 | C54 | N14 | C50 | 63.1° | 60.0° |
| H73 | C54 | C55 | N15 | 162.8° | 60.0° |
| H74 | C54 | C55 | O14 | 101.5° | 119.9° |
| H74 | C54 | N14 | C50 | 178.2° | 60.0° |
| H74 | C54 | C55 | N15 | 78.4° | 60.0° |
| O14 | C55 | N15 | C56 | 0.1° | 5.3° |
| O14 | C55 | N15 | H75 | 179.9° | 174.7° |
| C56 | N15 | H75 | C55 | 180.0° | 180.0° |
| N15 | C56 | C57 | C58 | 124.5° | 120.0° |
| N15 | C56 | C57 | H76 | 118.9° | 120.0° |
| N15 | C56 | C58 | H76 | 118.6° | 120.0° |
| N15 | C56 | C57 | O15 | 148.3° | 5.1° |
| N15 | C56 | C58 | C59 | 49.8° | 62.2° |
| N15 | C56 | C58 | C60 | 72.9° | 57.8° |
| N15 | C56 | C58 | H77 | 168.6° | 177.8° |
| N15 | C56 | C57 | N16 | 32.7° | 174.9° |
| H75 | N15 | C56 | C57 | 93.2° | 21.0° |
| H75 | N15 | C56 | C58 | 30.3° | 99.0° |
| H75 | N15 | C56 | H76 | 148.3° | 141.0° |
| C57 | C56 | C58 | H76 | 116.6° | 120.0° |
| C56 | C57 | O15 | N16 | 179.0° | 180.0° |
| C57 | C56 | C58 | C59 | 74.9° | 57.8° |
| C57 | C56 | C58 | C60 | 162.3° | 177.8° |
| C57 | C56 | C58 | H77 | 43.8° | 62.2° |
| C56 | C57 | N16 | C62 | 178.8° | 175.0° |
| C56 | C57 | N16 | H86 | 1.2° | 5.0° |
| C57 | C56 | N15 | C55 | 86.8° | 159.1° |
| C58 | C56 | C57 | O15 | 23.8° | 114.9° |
| C56 | C58 | C59 | C60 | 122.4° | 120.0° |
| C56 | C58 | C59 | H77 | 118.6° | 120.0° |
| C56 | C58 | C60 | H77 | 118.4° | 120.0° |
| C56 | C58 | C59 | C61 | 177.1° | 73.0° |
| C56 | C58 | C59 | H78 | 62.2° | 166.9° |
| C56 | C58 | C59 | H79 | 56.5° | 47.0° |
| C56 | C58 | C60 | H80 | 180.0° | 55.3° |
| C56 | C58 | C60 | H81 | 60.0° | 175.2° |
| C56 | C58 | C60 | H82 | 60.0° | 64.7° |
| C58 | C56 | N15 | C55 | 149.7° | 81.0° |
| C58 | C56 | C57 | N16 | 157.2° | 65.1° |
| H76 | C56 | C57 | O15 | 92.7° | 125.0° |
| H76 | C56 | C58 | C59 | 168.4° | 177.8° |
| H76 | C56 | C58 | C60 | 45.7° | 62.2° |
| H76 | C56 | C58 | H77 | 72.8° | 57.8° |
| H76 | C56 | N15 | C55 | 31.7° | 39.1° |
| H76 | C56 | C57 | N16 | 86.3° | 55.0° |
| O15 | C57 | N16 | C62 | 0.2° | 5.0° |
| O15 | C57 | N16 | H86 | 179.8° | 175.0° |
| C59 | C58 | C60 | H77 | 118.9° | 120.0° |
| C58 | C59 | C61 | H78 | 120.6° | 120.1° |
| C58 | C59 | C61 | H79 | 120.6° | 120.0° |
| C58 | C59 | H78 | H79 | 118.0° | 120.0° |
| C59 | C58 | C60 | H80 | 57.3° | 64.8° |
| C59 | C58 | C60 | H81 | 177.3° | 55.2° |
| C59 | C58 | C60 | H82 | 62.8° | 175.2° |
| C58 | C59 | C61 | H83 | 180.0° | 176.3° |
| C58 | C59 | C61 | H84 | 60.0° | 56.3° |
| C58 | C59 | C61 | H85 | 60.0° | 63.7° |
| C60 | C58 | C59 | C61 | 60.5° | 167.0° |
| C60 | C58 | C59 | H78 | 60.2° | 46.9° |
| C60 | C58 | C59 | H79 | 178.9° | 73.0° |
| C58 | C60 | H80 | H81 | 120.0° | 120.0° |
| C58 | C60 | H80 | H82 | 120.0° | 120.0° |
| C58 | C60 | H81 | H82 | 120.0° | 120.0° |
| H77 | C58 | C59 | C61 | 58.5° | 47.0° |
| H77 | C58 | C59 | H78 | 179.1° | 73.0° |
| H77 | C58 | C59 | H79 | 62.1° | 167.0° |
| H77 | C58 | C60 | H80 | 61.6° | 175.3° |
| H77 | C58 | C60 | H81 | 58.4° | 64.7° |
| H77 | C58 | C60 | H82 | 178.3° | 55.3° |
| C61 | C59 | H78 | H79 | 118.1° | 120.0° |
| C59 | C61 | H83 | H84 | 120.0° | 120.1° |
| C59 | C61 | H83 | H85 | 120.0° | 119.9° |
| C59 | C61 | H84 | H85 | 120.0° | 119.9° |
| H78 | C59 | C61 | H83 | 59.4° | 63.6° |
| H78 | C59 | C61 | H84 | 179.4° | 176.3° |
| H78 | C59 | C61 | H85 | 60.6° | 56.4° |
| H79 | C59 | C61 | H83 | 59.4° | 56.3° |
| H79 | C59 | C61 | H84 | 60.6° | 63.7° |
| H79 | C59 | C61 | H85 | 179.4° | 176.3° |
| H80 | C60 | H81 | H82 | 120.0° | 120.0° |
| H83 | C61 | H84 | H85 | 120.0° | 120.0° |
| C62 | N16 | H86 | C57 | 180.0° | 180.0° |
| N16 | C62 | C63 | H87 | 120.7° | 120.1° |
| N16 | C62 | C63 | H88 | 120.7° | 120.0° |
| N16 | C62 | H87 | H88 | 117.9° | 120.0° |
| N16 | C62 | C63 | O16 | 151.1° | 0.0° |
| N16 | C62 | C63 | N17 | 29.1° | 180.0° |
| H86 | N16 | C62 | C63 | 127.4° | 0.0° |
| H86 | N16 | C62 | H87 | 6.7° | 120.0° |
| H86 | N16 | C62 | H88 | 111.9° | 120.0° |
| C63 | C62 | H87 | H88 | 117.9° | 120.0° |
| C62 | C63 | O16 | N17 | 179.7° | 179.9° |
| C62 | C63 | N17 | C64 | 179.9° | 180.0° |
| C62 | C63 | N17 | H89 | 0.1° | 0.1° |
| C63 | C62 | N16 | C57 | 52.6° | 180.0° |
| H87 | C62 | C63 | O16 | 88.2° | 120.0° |
| H87 | C62 | N16 | C57 | 173.3° | 60.0° |
| H87 | C62 | C63 | N17 | 91.6° | 59.9° |
| H88 | C62 | C63 | O16 | 30.5° | 120.0° |
| H88 | C62 | N16 | C57 | 68.1° | 60.0° |
| H88 | C62 | C63 | N17 | 149.8° | 60.1° |
| O16 | C63 | N17 | C64 | 0.1° | 0.1° |
| O16 | C63 | N17 | H89 | 179.9° | 180.0° |
| C64 | N17 | H89 | C63 | 180.0° | 179.9° |
| N17 | C64 | C65 | C66 | 122.6° | 119.9° |
| N17 | C64 | C65 | H90 | 119.6° | 120.0° |
| N17 | C64 | C66 | H90 | 119.8° | 120.0° |
| N17 | C64 | C65 | O17 | 59.0° | 3.2° |
| N17 | C64 | C66 | O18 | 49.2° | 60.9° |
| N17 | C64 | C66 | C67 | 170.4° | 59.0° |
| N17 | C64 | C66 | H91 | 70.4° | 179.0° |
| N17 | C64 | C65 | N18 | 120.2° | 176.9° |
| H89 | N17 | C64 | C65 | 77.4° | 24.9° |
| H89 | N17 | C64 | C66 | 44.4° | 95.0° |
| H89 | N17 | C64 | H90 | 163.5° | 144.9° |
| C65 | C64 | C66 | H90 | 117.9° | 120.0° |
| C64 | C65 | O17 | N18 | 179.1° | 179.9° |
| C65 | C64 | C66 | O18 | 171.6° | 59.0° |
| C65 | C64 | C66 | C67 | 67.3° | 179.0° |
| C65 | C64 | C66 | H91 | 51.9° | 61.0° |
| C64 | C65 | N18 | C68 | 179.5° | 4.9° |
| C64 | C65 | N18 | C72 | 0.2° | 175.4° |
| C65 | C64 | N17 | C63 | 102.6° | 155.0° |
| C66 | C64 | C65 | O17 | 63.6° | 123.1° |
| C64 | C66 | O18 | C67 | 122.2° | 120.0° |
| C64 | C66 | O18 | H91 | 118.8° | 120.0° |
| C64 | C66 | C67 | H91 | 119.1° | 120.0° |
| C64 | C66 | O18 | H92 | 180.0° | 180.0° |
| C64 | C66 | C67 | H93 | 180.0° | 60.0° |
| C64 | C66 | C67 | H94 | 60.0° | 180.0° |
| C64 | C66 | C67 | H95 | 60.0° | 60.0° |
| C66 | C64 | N17 | C63 | 135.6° | 85.1° |
| C66 | C64 | C65 | N18 | 117.2° | 57.0° |
| H90 | C64 | C65 | O17 | 178.6° | 116.8° |
| H90 | C64 | C66 | O18 | 70.6° | 179.1° |
| H90 | C64 | C66 | C67 | 50.6° | 61.0° |
| H90 | C64 | C66 | H91 | 169.8° | 59.0° |
| H90 | C64 | N17 | C63 | 16.5° | 35.0° |
| H90 | C64 | C65 | N18 | 0.6° | 63.1° |
| O17 | C65 | N18 | C68 | 0.4° | 175.2° |
| O17 | C65 | N18 | C72 | 179.0° | 4.4° |
| O18 | C66 | C67 | H91 | 119.8° | 120.0° |
| O18 | C66 | C67 | H93 | 58.8° | 60.0° |
| O18 | C66 | C67 | H94 | 178.8° | 60.0° |
| O18 | C66 | C67 | H95 | 61.1° | 180.0° |
| C67 | C66 | O18 | H92 | 57.8° | 60.0° |
| C66 | C67 | H93 | H94 | 120.0° | 120.0° |
| C66 | C67 | H93 | H95 | 120.0° | 120.0° |
| C66 | C67 | H94 | H95 | 120.0° | 120.0° |
| H91 | C66 | O18 | H92 | 61.2° | 60.0° |
| H91 | C66 | C67 | H93 | 61.0° | NaN° |
| H91 | C66 | C67 | H94 | 59.1° | 60.0° |
| H91 | C66 | C67 | H95 | 179.1° | 59.9° |
| H93 | C67 | H94 | H95 | 120.0° | 120.1° |
| C68 | N18 | C72 | C65 | 179.4° | 179.7° |
| N18 | C68 | C69 | C70 | 114.8° | 117.8° |
| N18 | C68 | C69 | H96 | 124.0° | 121.0° |
| N18 | C68 | C70 | H96 | 118.1° | 119.5° |
| N18 | C68 | C69 | O19 | 56.3° | 5.5° |
| N18 | C68 | C70 | C71 | 28.4° | 22.2° |
| N18 | C68 | C70 | H97 | 147.7° | 140.5° |
| N18 | C68 | C70 | H98 | 90.9° | 96.2° |
| C68 | N18 | C72 | C71 | 1.8° | 24.4° |
| C68 | N18 | C72 | H101 | 121.0° | 94.5° |
| C68 | N18 | C72 | H102 | 117.3° | 143.2° |
| N18 | C68 | C69 | N19 | 124.6° | 174.5° |
| C72 | N18 | C68 | C69 | 100.3° | 120.7° |
| C72 | N18 | C68 | C70 | 18.8° | 1.3° |
| C72 | N18 | C68 | H96 | 136.2° | 118.3° |
| N18 | C72 | C71 | C70 | 16.6° | 37.3° |
| N18 | C72 | C71 | H101 | 119.1° | 118.8° |
| N18 | C72 | C71 | H102 | 119.1° | 118.8° |
| N18 | C72 | C71 | H99 | 103.0° | 80.9° |
| N18 | C72 | C71 | H100 | 136.2° | 155.3° |
| N18 | C72 | H101 | H102 | 122.5° | 122.3° |
| C69 | C68 | C70 | H96 | 121.2° | 121.1° |
| C68 | C69 | O19 | N19 | 179.0° | 180.0° |
| C69 | C68 | C70 | C71 | 92.3° | 97.2° |
| C69 | C68 | C70 | H97 | 27.0° | 21.1° |
| C69 | C68 | C70 | H98 | 148.4° | 144.4° |
| C68 | C69 | N19 | C73 | 179.0° | 175.0° |
| C68 | C69 | N19 | H103 | 1.0° | 4.9° |
| C69 | C68 | N18 | C65 | 80.2° | 59.6° |
| C70 | C68 | C69 | O19 | 58.5° | 112.3° |
| C68 | C70 | C71 | H97 | 119.3° | 118.3° |
| C68 | C70 | C71 | H98 | 119.3° | 118.4° |
| C68 | C70 | H97 | H98 | 122.0° | 123.2° |
| C68 | C70 | C71 | C72 | 28.3° | 35.7° |
| C68 | C70 | C71 | H99 | 91.3° | 82.6° |
| C68 | C70 | C71 | H100 | 147.8° | 153.6° |
| C70 | C68 | N18 | C65 | 160.6° | 179.0° |
| C70 | C68 | C69 | N19 | 120.6° | 67.7° |
| H96 | C68 | C69 | O19 | 179.7° | 126.6° |
| H96 | C68 | C70 | C71 | 146.5° | 141.7° |
| H96 | C68 | C70 | H97 | 94.2° | 99.9° |
| H96 | C68 | C70 | H98 | 27.2° | 23.3° |
| H96 | C68 | N18 | C65 | 43.2° | 61.4° |
| H96 | C68 | C69 | N19 | 0.7° | 53.5° |
| O19 | C69 | N19 | C73 | 0.0° | 5.0° |
| O19 | C69 | N19 | H103 | 179.9° | 175.0° |
| C71 | C70 | H97 | H98 | 122.0° | 123.3° |
| C70 | C71 | C72 | H99 | 119.6° | 118.2° |
| C70 | C71 | C72 | H100 | 119.6° | 118.0° |
| C70 | C71 | H99 | H100 | 121.2° | 124.0° |
| C70 | C71 | C72 | H101 | 102.5° | 81.5° |
| C70 | C71 | C72 | H102 | 135.7° | 156.1° |
| H97 | C70 | C71 | C72 | 147.6° | 154.0° |
| H97 | C70 | C71 | H99 | 28.0° | 35.8° |
| H97 | C70 | C71 | H100 | 92.8° | 88.1° |
| H98 | C70 | C71 | C72 | 91.1° | 82.7° |
| H98 | C70 | C71 | H99 | 149.4° | 159.0° |
| H98 | C70 | C71 | H100 | 28.5° | 35.1° |
| C72 | C71 | H99 | H100 | 121.3° | 123.9° |
| C71 | C72 | H101 | H102 | 122.5° | 122.4° |
| C71 | C72 | N18 | C65 | 177.6° | 155.9° |
| H99 | C71 | C72 | H101 | 137.9° | 160.3° |
| H99 | C71 | C72 | H102 | 16.2° | 37.9° |
| H100 | C71 | C72 | H101 | 17.0° | 36.5° |
| H100 | C71 | C72 | H102 | 104.7° | 85.9° |
| H101 | C72 | N18 | C65 | 58.5° | 85.2° |
| H102 | C72 | N18 | C65 | 63.3° | 37.1° |
| C73 | N19 | H103 | C69 | 180.0° | 179.9° |
| N19 | C73 | C74 | C75 | 123.8° | 120.0° |
| N19 | C73 | C74 | H104 | 118.3° | 119.9° |
| N19 | C73 | C75 | H104 | 120.0° | 120.0° |
| N19 | C73 | C74 | O20 | 140.3° | 9.2° |
| N19 | C73 | C75 | C76 | 45.7° | 179.8° |
| N19 | C73 | C75 | C77 | 167.3° | 59.8° |
| N19 | C73 | C75 | H105 | 73.4° | 60.3° |
| N19 | C73 | C74 | N20 | 39.3° | 170.8° |
| H103 | N19 | C73 | C74 | 63.9° | 20.2° |
| H103 | N19 | C73 | C75 | 59.0° | 99.8° |
| H103 | N19 | C73 | H104 | 178.4° | 140.1° |
| C74 | C73 | C75 | H104 | 118.1° | 120.0° |
| C73 | C74 | O20 | N20 | 179.5° | 180.0° |
| C74 | C73 | C75 | C76 | 167.6° | 59.8° |
| C74 | C73 | C75 | C77 | 70.8° | 60.1° |
| C74 | C73 | C75 | H105 | 48.5° | 179.7° |
| C73 | C74 | N20 | C79 | 180.0° | 176.2° |
| C73 | C74 | N20 | H114 | 0.0° | 3.7° |
| C74 | C73 | N19 | C69 | 116.2° | 159.9° |
| C75 | C73 | C74 | O20 | 16.4° | 110.8° |
| C73 | C75 | C76 | C77 | 122.1° | 120.0° |
| C73 | C75 | C76 | H105 | 118.9° | 119.9° |
| C73 | C75 | C77 | H105 | 119.1° | 120.0° |
| C73 | C75 | C76 | C78 | 177.6° | 67.3° |
| C73 | C75 | C76 | H106 | 57.0° | 172.7° |
| C73 | C75 | C76 | H107 | 61.7° | 52.7° |
| C73 | C75 | C77 | H108 | 180.0° | 55.0° |
| C73 | C75 | C77 | H109 | 60.0° | 175.0° |
| C73 | C75 | C77 | H110 | 60.0° | 65.0° |
| C75 | C73 | N19 | C69 | 120.9° | 80.1° |
| C75 | C73 | C74 | N20 | 163.1° | 69.2° |
| H104 | C73 | C74 | O20 | 101.5° | 129.1° |
| H104 | C73 | C75 | C76 | 74.4° | 60.2° |
| H104 | C73 | C75 | C77 | 47.3° | 179.9° |
| H104 | C73 | C75 | H105 | 166.6° | 59.8° |
| H104 | C73 | N19 | C69 | 1.6° | 39.9° |
| H104 | C73 | C74 | N20 | 78.9° | 50.9° |
| O20 | C74 | N20 | C79 | 0.4° | 3.8° |
| O20 | C74 | N20 | H114 | 179.6° | 176.3° |
| C76 | C75 | C77 | H105 | 119.0° | 120.0° |
| C75 | C76 | C78 | H106 | 120.7° | 119.9° |
| C75 | C76 | C78 | H107 | 120.7° | 120.0° |
| C75 | C76 | H106 | H107 | 118.0° | 119.9° |
| C76 | C75 | C77 | H108 | 58.0° | 64.9° |
| C76 | C75 | C77 | H109 | 178.0° | 55.1° |
| C76 | C75 | C77 | H110 | 62.0° | 175.0° |
| C75 | C76 | C78 | H111 | 180.0° | 175.1° |
| C75 | C76 | C78 | H112 | 60.0° | 55.0° |
| C75 | C76 | C78 | H113 | 60.0° | 65.0° |
| C77 | C75 | C76 | C78 | 55.5° | 172.7° |
| C77 | C75 | C76 | H106 | 65.1° | 52.7° |
| C77 | C75 | C76 | H107 | 176.2° | 67.2° |
| C75 | C77 | H108 | H109 | 120.0° | 120.0° |
| C75 | C77 | H108 | H110 | 120.0° | 120.0° |
| C75 | C77 | H109 | H110 | 120.0° | 119.9° |
| H105 | C75 | C76 | C78 | 63.5° | 52.6° |
| H105 | C75 | C76 | H106 | 175.9° | 67.4° |
| H105 | C75 | C76 | H107 | 57.2° | 172.7° |
| H105 | C75 | C77 | H108 | 60.9° | 175.0° |
| H105 | C75 | C77 | H109 | 59.1° | 65.0° |
| H105 | C75 | C77 | H110 | 179.1° | 55.0° |
| C78 | C76 | H106 | H107 | 118.0° | 120.1° |
| C76 | C78 | H111 | H112 | 120.0° | 120.0° |
| C76 | C78 | H111 | H113 | 120.0° | 120.0° |
| C76 | C78 | H112 | H113 | 120.0° | 120.0° |
| H106 | C76 | C78 | H111 | 59.3° | 65.0° |
| H106 | C76 | C78 | H112 | 179.3° | 175.0° |
| H106 | C76 | C78 | H113 | 60.7° | 55.0° |
| H107 | C76 | C78 | H111 | 59.3° | 55.1° |
| H107 | C76 | C78 | H112 | 60.6° | 65.0° |
| H107 | C76 | C78 | H113 | 179.4° | 175.0° |
| H108 | C77 | H109 | H110 | 120.0° | 120.0° |
| H111 | C78 | H112 | H113 | 120.0° | 119.9° |
| C79 | N20 | H114 | C74 | 180.0° | 180.0° |
| N20 | C79 | C80 | C81 | 122.4° | 120.0° |
| N20 | C79 | C80 | H115 | 119.3° | 120.0° |
| N20 | C79 | C81 | H115 | 120.2° | 120.0° |
| N20 | C79 | C80 | O21 | 33.5° | 0.0° |
| N20 | C79 | C81 | O22 | 50.6° | 65.0° |
| N20 | C79 | C81 | H116 | 170.9° | 175.0° |
| N20 | C79 | C81 | H117 | 69.6° | 54.9° |
| N20 | C79 | C80 | N21 | 146.5° | 180.0° |
| H114 | N20 | C79 | C80 | 4.1° | 25.0° |
| H114 | N20 | C79 | C81 | 117.5° | 95.0° |
| H114 | N20 | C79 | H115 | 122.9° | 145.1° |
| C80 | C79 | C81 | H115 | 118.4° | 120.0° |
| C79 | C80 | O21 | N21 | 180.0° | 180.0° |
| C80 | C79 | C81 | O22 | 70.7° | 55.0° |
| C80 | C79 | C81 | H116 | 49.5° | 64.9° |
| C80 | C79 | C81 | H117 | 169.0° | 175.0° |
| C79 | C80 | N21 | C82 | 179.9° | 180.0° |
| C79 | C80 | N21 | H119 | 0.1° | 0.0° |
| C80 | C79 | N20 | C74 | 175.9° | 155.0° |
| C81 | C79 | C80 | O21 | 88.9° | 120.0° |
| C79 | C81 | O22 | H116 | 120.3° | 119.9° |
| C79 | C81 | O22 | H117 | 120.3° | 120.0° |
| C79 | C81 | H116 | H117 | 119.2° | 120.1° |
| C79 | C81 | O22 | H118 | 180.0° | 180.0° |
| C81 | C79 | N20 | C74 | 62.5° | 85.0° |
| C81 | C79 | C80 | N21 | 91.1° | 60.0° |
| H115 | C79 | C80 | O21 | 152.8° | 120.0° |
| H115 | C79 | C81 | O22 | 170.9° | 175.0° |
| H115 | C79 | C81 | H116 | 68.9° | 55.1° |
| H115 | C79 | C81 | H117 | 50.6° | 65.0° |
| H115 | C79 | N20 | C74 | 57.1° | 35.0° |
| H115 | C79 | C80 | N21 | 27.2° | 60.0° |
| O21 | C80 | N21 | C82 | 0.1° | 0.0° |
| O21 | C80 | N21 | H119 | 179.9° | 179.9° |
| O22 | C81 | H116 | H117 | 119.2° | 120.0° |
| H116 | C81 | O22 | H118 | 59.8° | 60.0° |
| H117 | C81 | O22 | H118 | 59.7° | 60.0° |
| C82 | N21 | H119 | C80 | 180.0° | 180.0° |
| N21 | C82 | C83 | C84 | 122.5° | 120.0° |
| N21 | C82 | C83 | H120 | 119.1° | 120.0° |
| N21 | C82 | C84 | H120 | 120.0° | 120.1° |
| N21 | C82 | C83 | O23 | 7.8° | 0.0° |
| N21 | C82 | C84 | C85 | 62.2° | 65.0° |
| N21 | C82 | C84 | H121 | 58.5° | 55.0° |
| N21 | C82 | C84 | H122 | 177.0° | 175.0° |
| N21 | C82 | C83 | N22 | 172.7° | 180.0° |
| H119 | N21 | C82 | C83 | 48.4° | 25.0° |
| H119 | N21 | C82 | C84 | 73.6° | 94.9° |
| H119 | N21 | C82 | H120 | 167.0° | 145.0° |
| C83 | C82 | C84 | H120 | 118.4° | 119.9° |
| C82 | C83 | O23 | N22 | 179.4° | 180.0° |
| C83 | C82 | C84 | C85 | 176.2° | 175.0° |
| C83 | C82 | C84 | H121 | 63.0° | 65.0° |
| C83 | C82 | C84 | H122 | 55.5° | 55.0° |
| C82 | C83 | N22 | C91 | 179.4° | 180.0° |
| C82 | C83 | N22 | H128 | 0.6° | 0.0° |
| C83 | C82 | N21 | C80 | 131.5° | 155.0° |
| C84 | C82 | C83 | O23 | 130.4° | 120.0° |
| C82 | C84 | C85 | H121 | 120.7° | 120.0° |
| C82 | C84 | C85 | H122 | 120.7° | 120.0° |
| C82 | C84 | H121 | H122 | 117.7° | 120.0° |
| C82 | C84 | C85 | C86 | 77.2° | 90.0° |
| C82 | C84 | C85 | C87 | 103.5° | 90.3° |
| C84 | C82 | N21 | C80 | 106.5° | 85.0° |
| C84 | C82 | C83 | N22 | 50.2° | 60.0° |
| H120 | C82 | C83 | O23 | 111.3° | 120.0° |
| H120 | C82 | C84 | C85 | 57.8° | 55.1° |
| H120 | C82 | C84 | H121 | 178.6° | 175.1° |
| H120 | C82 | C84 | H122 | 62.9° | 64.9° |
| H120 | C82 | N21 | C80 | 13.0° | 35.0° |
| H120 | C82 | C83 | N22 | 68.2° | 60.0° |
| O23 | C83 | N22 | C91 | 0.1° | 0.0° |
| O23 | C83 | N22 | H128 | 179.9° | 180.0° |
| C85 | C84 | H121 | H122 | 117.7° | 120.0° |
| C84 | C85 | C86 | C87 | 179.4° | 179.8° |
| C84 | C85 | C86 | C88 | 179.6° | 180.0° |
| C84 | C85 | C86 | H123 | 0.4° | 0.0° |
| C84 | C85 | C87 | C89 | 179.5° | 180.0° |
| C84 | C85 | C87 | H124 | 0.4° | 0.1° |
| H121 | C84 | C85 | C86 | 43.6° | 30.0° |
| H121 | C84 | C85 | C87 | 135.8° | 149.7° |
| H122 | C84 | C85 | C86 | 162.1° | 150.0° |
| H122 | C84 | C85 | C87 | 17.3° | 29.7° |
| C85 | C86 | C88 | H123 | 180.0° | 179.9° |
| C86 | C85 | C87 | C89 | 0.1° | 0.2° |
| C86 | C85 | C87 | H124 | 179.8° | 179.7° |
| C85 | C86 | C88 | C90 | 0.1° | 0.0° |
| C85 | C86 | C88 | H125 | 179.9° | 180.0° |
| C87 | C85 | C86 | C88 | 0.2° | 0.2° |
| C87 | C85 | C86 | H123 | 179.8° | 179.7° |
| C85 | C87 | C89 | H124 | 180.0° | 179.9° |
| C85 | C87 | C89 | C90 | 0.0° | 0.1° |
| C85 | C87 | C89 | H126 | 180.0° | 180.0° |
| C86 | C88 | C90 | H125 | 180.0° | 179.9° |
| C86 | C88 | C90 | C89 | 0.0° | 0.3° |
| C86 | C88 | C90 | H127 | 180.0° | 179.9° |
| H123 | C86 | C88 | C90 | 179.9° | 180.0° |
| H123 | C86 | C88 | H125 | 0.1° | 0.1° |
| C87 | C89 | C90 | C88 | 0.1° | 0.3° |
| C87 | C89 | C90 | H126 | 180.0° | 179.9° |
| C87 | C89 | C90 | H127 | 179.9° | 179.9° |
| H124 | C87 | C89 | C90 | 179.9° | 179.9° |
| H124 | C87 | C89 | H126 | 0.1° | 0.1° |
| C88 | C90 | C89 | H127 | 180.0° | 179.8° |
| C88 | C90 | C89 | H126 | 179.9° | 179.8° |
| H125 | C88 | C90 | C89 | 180.0° | 179.8° |
| H125 | C88 | C90 | H127 | 0.0° | 0.0° |
| H126 | C89 | C90 | H127 | 0.1° | 0.0° |
| C91 | N22 | H128 | C83 | 180.0° | 179.9° |
| N22 | C91 | C92 | C93 | 120.9° | 120.0° |
| N22 | C91 | C92 | H129 | 120.4° | 120.0° |
| N22 | C91 | C93 | H129 | 120.2° | 120.1° |
| N22 | C91 | C92 | O24 | 117.1° | 0.1° |
| N22 | C91 | C93 | C94 | 168.1° | 65.0° |
| N22 | C91 | C93 | H130 | 47.5° | 54.9° |
| N22 | C91 | C93 | H131 | 71.2° | 175.0° |
| N22 | C91 | C92 | N23 | 62.7° | 180.0° |
| H128 | N22 | C91 | C92 | 57.3° | 95.0° |
| H128 | N22 | C91 | C93 | 63.1° | 24.9° |
| H128 | N22 | C91 | H129 | 177.3° | 145.0° |
| C92 | C91 | C93 | H129 | 118.8° | 120.0° |
| C91 | C92 | O24 | N23 | 179.7° | 179.9° |
| C92 | C91 | C93 | C94 | 70.9° | 175.0° |
| C92 | C91 | C93 | H130 | 168.5° | 65.1° |
| C92 | C91 | C93 | H131 | 49.8° | 55.1° |
| C91 | C92 | N23 | C100 | 179.8° | 180.0° |
| C91 | C92 | N23 | H137 | 0.2° | 0.1° |
| C92 | C91 | N22 | C83 | 122.7° | 85.0° |
| C93 | C91 | C92 | O24 | 122.1° | 120.1° |
| C91 | C93 | C94 | H130 | 120.7° | 119.9° |
| C91 | C93 | C94 | H131 | 120.6° | 120.0° |
| C91 | C93 | H130 | H131 | 118.0° | 120.1° |
| C91 | C93 | C94 | C95 | 45.8° | 90.0° |
| C91 | C93 | C94 | C96 | 134.2° | 90.3° |
| C93 | C91 | N22 | C83 | 116.9° | 155.0° |
| C93 | C91 | C92 | N23 | 58.2° | 60.0° |
| H129 | C91 | C92 | O24 | 3.4° | 119.9° |
| H129 | C91 | C93 | C94 | 47.9° | 55.1° |
| H129 | C91 | C93 | H130 | 72.7° | 175.0° |
| H129 | C91 | C93 | H131 | 168.6° | 64.9° |
| H129 | C91 | N22 | C83 | 2.7° | 34.9° |
| H129 | C91 | C92 | N23 | 176.9° | 60.0° |
| O24 | C92 | N23 | C100 | 0.1° | 0.1° |
| O24 | C92 | N23 | H137 | 179.9° | 180.0° |
| C94 | C93 | H130 | H131 | 118.0° | 120.0° |
| C93 | C94 | C95 | C96 | 180.0° | 179.7° |
| C93 | C94 | C95 | C97 | 179.9° | 180.0° |
| C93 | C94 | C95 | H132 | 0.1° | 0.1° |
| C93 | C94 | C96 | C98 | 179.9° | 179.9° |
| C93 | C94 | C96 | H133 | 0.2° | 0.0° |
| H130 | C93 | C94 | C95 | 74.9° | 29.9° |
| H130 | C93 | C94 | C96 | 105.1° | 149.7° |
| H131 | C93 | C94 | C95 | 166.5° | 150.0° |
| H131 | C93 | C94 | C96 | 13.6° | 29.7° |
| C94 | C95 | C97 | H132 | 180.0° | 179.9° |
| C95 | C94 | C96 | C98 | 0.1° | 0.3° |
| C95 | C94 | C96 | H133 | 179.9° | 179.7° |
| C94 | C95 | C97 | C99 | 0.1° | 0.1° |
| C94 | C95 | C97 | H134 | 179.9° | 180.0° |
| C96 | C94 | C95 | C97 | 0.1° | 0.4° |
| C96 | C94 | C95 | H132 | 179.9° | 179.8° |
| C94 | C96 | C98 | H133 | 180.0° | 180.0° |
| C94 | C96 | C98 | C99 | 0.1° | 0.0° |
| C94 | C96 | C98 | H135 | 179.8° | 179.9° |
| C95 | C97 | C99 | H134 | 180.0° | 179.9° |
| C95 | C97 | C99 | C98 | 0.1° | 0.2° |
| C95 | C97 | C99 | O25 | 180.0° | 180.0° |
| H132 | C95 | C97 | C99 | 180.0° | 180.0° |
| H132 | C95 | C97 | H134 | 0.1° | 0.1° |
| C96 | C98 | C99 | C97 | 0.1° | 0.3° |
| C96 | C98 | C99 | H135 | 180.0° | 180.0° |
| C96 | C98 | C99 | O25 | 179.9° | 179.9° |
| H133 | C96 | C98 | C99 | 179.8° | 180.0° |
| H133 | C96 | C98 | H135 | 0.2° | 0.0° |
| C97 | C99 | C98 | O25 | 180.0° | 179.8° |
| C97 | C99 | C98 | H135 | 179.9° | 179.7° |
| C97 | C99 | O25 | H136 | 180.0° | 90.1° |
| H134 | C97 | C99 | C98 | 179.9° | 179.7° |
| H134 | C97 | C99 | O25 | 0.1° | 0.1° |
| C98 | C99 | O25 | H136 | 0.0° | 89.7° |
| H135 | C98 | C99 | O25 | 0.1° | 0.1° |
| C100 | N23 | H137 | C92 | 180.0° | 180.0° |
| N23 | C100 | C101 | H138 | 120.1° | 120.0° |
| N23 | C100 | C101 | H139 | 120.1° | 120.0° |
| N23 | C100 | H138 | H139 | 119.7° | 120.1° |
| N23 | C100 | C101 | O26 | 164.2° | 0.0° |
| N23 | C100 | C101 | O27 | 12.8° | 180.0° |
| H137 | N23 | C100 | C101 | 20.3° | 0.0° |
| H137 | N23 | C100 | H138 | 140.4° | 120.0° |
| H137 | N23 | C100 | H139 | 99.8° | 120.0° |
| C101 | C100 | H138 | H139 | 119.6° | 120.0° |
| C100 | C101 | O26 | O27 | 176.9° | 180.0° |
| C100 | C101 | O27 | H140 | 177.0° | 180.0° |
| C101 | C100 | N23 | C92 | 159.7° | 180.0° |
| H138 | C100 | C101 | O26 | 44.1° | 120.0° |
| H138 | C100 | C101 | O27 | 133.0° | 60.0° |
| H138 | C100 | N23 | C92 | 39.6° | 60.0° |
| H139 | C100 | C101 | O26 | 75.7° | 120.0° |
| H139 | C100 | C101 | O27 | 107.2° | 60.0° |
| H139 | C100 | N23 | C92 | 80.2° | 60.0° |
| O26 | C101 | O27 | H140 | 0.0° | 0.0° |
