PRD_002516
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.48Å | 1.50Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | O2 | sing | 1.36Å | 1.37Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å | |
| N2 | C10 | sing | 1.48Å | 1.46Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | O3 | doub | 1.21Å | 1.25Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| N3 | C19 | sing | 1.48Å | 1.49Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | O4 | doub | 1.21Å | 1.25Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | doub | 1.34Å | 1.37Å | Aromatic |
| C22 | C24 | sing | 1.46Å | 1.44Å | Aromatic |
| C23 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.41Å | 1.41Å | Aromatic |
| C24 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| N4 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| N4 | H24 | sing | 0.97Å | 1.00Å | |
| C25 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C28 | doub | 1.37Å | 1.38Å | Aromatic |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | C29 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| N5 | C30 | sing | 1.48Å | 1.48Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | O5 | doub | 1.21Å | 1.25Å | |
| N6 | C32 | sing | 1.48Å | 1.49Å | |
| N6 | H32 | sing | 0.97Å | 1.00Å | |
| C32 | C33 | sing | 1.51Å | 1.53Å | |
| C32 | C34 | sing | 1.53Å | 1.53Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | O6 | doub | 1.21Å | 1.25Å | |
| C34 | C35 | sing | 1.51Å | 1.51Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | O7 | doub | 1.21Å | 1.23Å | |
| C35 | N7 | sing | 1.35Å | 1.32Å | |
| N7 | H36 | sing | 0.97Å | 1.00Å | |
| N7 | H37 | sing | 0.97Å | 1.00Å | |
| N8 | C36 | sing | 1.48Å | 1.49Å | |
| N8 | H38 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.54Å | |
| C36 | C38 | sing | 1.53Å | 1.54Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | O8 | doub | 1.21Å | 1.25Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C39 | C41 | sing | 1.53Å | 1.52Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å | |
| C40 | H43 | sing | 1.09Å | 1.10Å | |
| C40 | H44 | sing | 1.09Å | 1.10Å | |
| C40 | H45 | sing | 1.09Å | 1.10Å | |
| C41 | H46 | sing | 1.09Å | 1.10Å | |
| C41 | H47 | sing | 1.09Å | 1.10Å | |
| C41 | H48 | sing | 1.09Å | 1.10Å | |
| N9 | C42 | sing | 1.48Å | 1.49Å | |
| N9 | H49 | sing | 0.97Å | 1.00Å | |
| C42 | C43 | sing | 1.51Å | 1.53Å | |
| C42 | C44 | sing | 1.53Å | 1.54Å | |
| C42 | H50 | sing | 1.09Å | 1.10Å | |
| C43 | O9 | doub | 1.21Å | 1.25Å | |
| C44 | C45 | sing | 1.51Å | 1.49Å | |
| C44 | H51 | sing | 1.09Å | 1.10Å | |
| C44 | H52 | sing | 1.09Å | 1.10Å | |
| C45 | N10 | sing | 1.34Å | 1.38Å | Aromatic |
| C45 | C46 | doub | 1.35Å | 1.35Å | Aromatic |
| N10 | C47 | doub | 1.31Å | 1.32Å | Aromatic |
| N10 | H53 | sing | 0.97Å | 1.00Å | |
| C46 | N11 | sing | 1.37Å | 1.37Å | Aromatic |
| C46 | H54 | sing | 1.08Å | 1.08Å | |
| C47 | N11 | sing | 1.35Å | 1.34Å | Aromatic |
| C47 | H55 | sing | 1.08Å | 1.08Å | |
| N11 | H56 | sing | 0.97Å | 1.00Å | |
| N12 | C48 | sing | 1.48Å | 1.49Å | |
| N12 | H57 | sing | 0.97Å | 1.00Å | |
| C48 | C49 | sing | 1.51Å | 1.53Å | |
| C48 | C50 | sing | 1.53Å | 1.53Å | |
| C48 | H58 | sing | 1.09Å | 1.10Å | |
| C49 | O10 | doub | 1.21Å | 1.25Å | |
| C50 | C51 | sing | 1.51Å | 1.50Å | |
| C50 | H59 | sing | 1.09Å | 1.10Å | |
| C50 | H60 | sing | 1.09Å | 1.10Å | |
| C51 | C52 | doub | 1.34Å | 1.36Å | Aromatic |
| C51 | C53 | sing | 1.47Å | 1.44Å | Aromatic |
| C52 | N13 | sing | 1.37Å | 1.37Å | Aromatic |
| C52 | H61 | sing | 1.08Å | 1.08Å | |
| C53 | C54 | doub | 1.41Å | 1.41Å | Aromatic |
| C53 | C55 | sing | 1.40Å | 1.40Å | Aromatic |
| N13 | C54 | sing | 1.38Å | 1.37Å | Aromatic |
| N13 | H62 | sing | 0.97Å | 1.00Å | |
| C54 | C56 | sing | 1.39Å | 1.40Å | Aromatic |
| C55 | C57 | doub | 1.37Å | 1.38Å | Aromatic |
| C55 | H63 | sing | 1.08Å | 1.08Å | |
| C56 | C58 | doub | 1.38Å | 1.38Å | Aromatic |
| C56 | H64 | sing | 1.08Å | 1.08Å | |
| C57 | C58 | sing | 1.39Å | 1.40Å | Aromatic |
| C57 | H65 | sing | 1.08Å | 1.08Å | |
| C58 | H66 | sing | 1.08Å | 1.08Å | |
| N14 | C59 | sing | 1.48Å | 1.49Å | |
| N14 | H67 | sing | 0.97Å | 1.00Å | |
| C59 | C60 | sing | 1.51Å | 1.53Å | |
| C59 | C61 | sing | 1.53Å | 1.53Å | |
| C59 | H68 | sing | 1.09Å | 1.10Å | |
| C60 | O11 | doub | 1.21Å | 1.25Å | |
| C61 | C62 | sing | 1.51Å | 1.51Å | |
| C61 | H69 | sing | 1.09Å | 1.10Å | |
| C61 | H70 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | doub | 1.38Å | 1.39Å | Aromatic |
| C62 | C64 | sing | 1.38Å | 1.39Å | Aromatic |
| C63 | C65 | sing | 1.38Å | 1.39Å | Aromatic |
| C63 | H71 | sing | 1.08Å | 1.08Å | |
| C64 | C66 | doub | 1.38Å | 1.39Å | Aromatic |
| C64 | H72 | sing | 1.08Å | 1.08Å | |
| C65 | C67 | doub | 1.39Å | 1.39Å | Aromatic |
| C65 | H73 | sing | 1.08Å | 1.08Å | |
| C66 | C67 | sing | 1.39Å | 1.38Å | Aromatic |
| C66 | H74 | sing | 1.08Å | 1.08Å | |
| C67 | O12 | sing | 1.36Å | 1.37Å | |
| O12 | H75 | sing | 0.97Å | 0.95Å | |
| N15 | C68 | sing | 1.48Å | 1.49Å | |
| N15 | H76 | sing | 0.97Å | 1.00Å | |
| C68 | C69 | sing | 1.51Å | 1.54Å | |
| C68 | C70 | sing | 1.53Å | 1.53Å | |
| C68 | H77 | sing | 1.09Å | 1.10Å | |
| C69 | O13 | doub | 1.21Å | 1.25Å | |
| C70 | C71 | sing | 1.51Å | 1.51Å | |
| C70 | H78 | sing | 1.09Å | 1.10Å | |
| C70 | H79 | sing | 1.09Å | 1.10Å | |
| C71 | C72 | doub | 1.38Å | 1.39Å | Aromatic |
| C71 | C73 | sing | 1.38Å | 1.39Å | Aromatic |
| C72 | C74 | sing | 1.38Å | 1.39Å | Aromatic |
| C72 | H80 | sing | 1.08Å | 1.08Å | |
| C73 | C75 | doub | 1.38Å | 1.39Å | Aromatic |
| C73 | H81 | sing | 1.08Å | 1.08Å | |
| C74 | C76 | doub | 1.39Å | 1.38Å | Aromatic |
| C74 | H82 | sing | 1.08Å | 1.08Å | |
| C75 | C76 | sing | 1.39Å | 1.38Å | Aromatic |
| C75 | H83 | sing | 1.08Å | 1.08Å | |
| C76 | O14 | sing | 1.36Å | 1.37Å | |
| O14 | H84 | sing | 0.97Å | 0.95Å | |
| N16 | C77 | sing | 1.48Å | 1.49Å | |
| N16 | H85 | sing | 0.97Å | 1.00Å | |
| C77 | C78 | sing | 1.51Å | 1.53Å | |
| C77 | C79 | sing | 1.53Å | 1.53Å | |
| C77 | H86 | sing | 1.09Å | 1.10Å | |
| C78 | O15 | doub | 1.21Å | 1.25Å | |
| C79 | C80 | sing | 1.53Å | 1.52Å | |
| C79 | H87 | sing | 1.09Å | 1.10Å | |
| C79 | H88 | sing | 1.09Å | 1.10Å | |
| C80 | C81 | sing | 1.51Å | 1.52Å | |
| C80 | H89 | sing | 1.09Å | 1.10Å | |
| C80 | H90 | sing | 1.09Å | 1.10Å | |
| C81 | O16 | doub | 1.21Å | 1.25Å | |
| C81 | O17 | sing | 1.34Å | 1.25Å | |
| O17 | H91 | sing | 0.97Å | 0.95Å | |
| N17 | C82 | sing | 1.48Å | 1.49Å | |
| N17 | H92 | sing | 0.97Å | 1.00Å | |
| C82 | C83 | sing | 1.51Å | 1.53Å | |
| C82 | C84 | sing | 1.53Å | 1.53Å | |
| C82 | H93 | sing | 1.09Å | 1.10Å | |
| C83 | O18 | doub | 1.21Å | 1.25Å | |
| C84 | C85 | sing | 1.53Å | 1.52Å | |
| C84 | H94 | sing | 1.09Å | 1.10Å | |
| C84 | H95 | sing | 1.09Å | 1.10Å | |
| C85 | C86 | sing | 1.51Å | 1.51Å | |
| C85 | H96 | sing | 1.09Å | 1.10Å | |
| C85 | H97 | sing | 1.09Å | 1.10Å | |
| C86 | O19 | doub | 1.21Å | 1.23Å | |
| C86 | N18 | sing | 1.35Å | 1.32Å | |
| N18 | H98 | sing | 0.97Å | 1.00Å | |
| N18 | H99 | sing | 0.97Å | 1.00Å | |
| N19 | C87 | sing | 1.48Å | 1.49Å | |
| N19 | H100 | sing | 0.97Å | 1.00Å | |
| C87 | C88 | sing | 1.51Å | 1.53Å | |
| C87 | C89 | sing | 1.53Å | 1.53Å | |
| C87 | H101 | sing | 1.09Å | 1.10Å | |
| C88 | O20 | doub | 1.21Å | 1.25Å | |
| C89 | C90 | sing | 1.51Å | 1.51Å | |
| C89 | H102 | sing | 1.09Å | 1.10Å | |
| C89 | H103 | sing | 1.09Å | 1.10Å | |
| C90 | C91 | doub | 1.38Å | 1.38Å | Aromatic |
| C90 | C92 | sing | 1.38Å | 1.39Å | Aromatic |
| C91 | C93 | sing | 1.38Å | 1.39Å | Aromatic |
| C91 | H104 | sing | 1.08Å | 1.08Å | |
| C92 | C94 | doub | 1.38Å | 1.39Å | Aromatic |
| C92 | H105 | sing | 1.08Å | 1.08Å | |
| C93 | C95 | doub | 1.38Å | 1.37Å | Aromatic |
| C93 | H106 | sing | 1.08Å | 1.08Å | |
| C94 | C95 | sing | 1.38Å | 1.38Å | Aromatic |
| C94 | H107 | sing | 1.08Å | 1.08Å | |
| C95 | H108 | sing | 1.08Å | 1.08Å | |
| N20 | C96 | sing | 1.48Å | 1.49Å | |
| N20 | H109 | sing | 0.97Å | 1.00Å | |
| C96 | C97 | sing | 1.51Å | 1.53Å | |
| C96 | C98 | sing | 1.53Å | 1.53Å | |
| C96 | H110 | sing | 1.09Å | 1.10Å | |
| C97 | O21 | doub | 1.21Å | 1.25Å | |
| C98 | C99 | sing | 1.51Å | 1.52Å | |
| C98 | H111 | sing | 1.09Å | 1.10Å | |
| C98 | H112 | sing | 1.09Å | 1.10Å | |
| C99 | O22 | doub | 1.21Å | 1.25Å | |
| C99 | O23 | sing | 1.34Å | 1.24Å | |
| O23 | H113 | sing | 0.97Å | 0.95Å | |
| N21 | C100 | sing | 1.48Å | 1.49Å | |
| N21 | H114 | sing | 0.97Å | 1.00Å | |
| C100 | C101 | sing | 1.51Å | 1.53Å | |
| C100 | C102 | sing | 1.53Å | 1.51Å | |
| C100 | H115 | sing | 1.09Å | 1.10Å | |
| C101 | O24 | doub | 1.21Å | 1.25Å | |
| C102 | O25 | sing | 1.43Å | 1.42Å | |
| C102 | H116 | sing | 1.09Å | 1.10Å | |
| C102 | H117 | sing | 1.09Å | 1.10Å | |
| O25 | H118 | sing | 0.97Å | 0.95Å | |
| N22 | C103 | sing | 1.48Å | 1.48Å | |
| N22 | H119 | sing | 0.97Å | 1.00Å | |
| C103 | C104 | sing | 1.51Å | 1.52Å | |
| C103 | C105 | sing | 1.53Å | 1.53Å | |
| C103 | H120 | sing | 1.09Å | 1.10Å | |
| C104 | O26 | doub | 1.21Å | 1.25Å | |
| C105 | O27 | sing | 1.43Å | 1.43Å | |
| C105 | C106 | sing | 1.53Å | 1.51Å | |
| C105 | H121 | sing | 1.09Å | 1.10Å | |
| O27 | H122 | sing | 0.97Å | 0.95Å | |
| C106 | H123 | sing | 1.09Å | 1.10Å | |
| C106 | H124 | sing | 1.09Å | 1.10Å | |
| C106 | H125 | sing | 1.09Å | 1.10Å | |
| N23 | C107 | sing | 1.48Å | 1.47Å | |
| N23 | H126 | sing | 0.97Å | 1.00Å | |
| C107 | C108 | sing | 1.51Å | 1.54Å | |
| C107 | C109 | sing | 1.53Å | 1.51Å | |
| C107 | H127 | sing | 1.09Å | 1.10Å | |
| C108 | O28 | doub | 1.21Å | 1.23Å | |
| C108 | O29 | sing | 1.34Å | 286.67Å | |
| C109 | S1 | sing | 1.81Å | 1.81Å | |
| C109 | H128 | sing | 1.09Å | 1.10Å | |
| C109 | H129 | sing | 1.09Å | 1.10Å | |
| O29 | H130 | sing | 0.97Å | 0.00Å | |
| C110 | O30 | doub | 1.21Å | 1.26Å | |
| C110 | C111 | sing | 1.51Å | 1.52Å | |
| C111 | H131 | sing | 1.09Å | 1.10Å | |
| C111 | H132 | sing | 1.09Å | 1.10Å | |
| N1 | C110 | sing | 1.36Å | 1.22Å | |
| C2 | N2 | sing | 1.36Å | 1.34Å | |
| C11 | N3 | sing | 1.36Å | 1.34Å | |
| C20 | N5 | sing | 1.36Å | 1.34Å | |
| C31 | N6 | sing | 1.36Å | 1.34Å | |
| C33 | N8 | sing | 1.36Å | 1.33Å | |
| C37 | N9 | sing | 1.36Å | 1.34Å | |
| C43 | N12 | sing | 1.36Å | 1.33Å | |
| C49 | N14 | sing | 1.36Å | 1.34Å | |
| C60 | N15 | sing | 1.36Å | 1.34Å | |
| C69 | N16 | sing | 1.36Å | 1.34Å | |
| C78 | N17 | sing | 1.36Å | 1.34Å | |
| C83 | N19 | sing | 1.36Å | 1.33Å | |
| C88 | N20 | sing | 1.36Å | 1.34Å | |
| C97 | N21 | sing | 1.36Å | 1.34Å | |
| C101 | N22 | sing | 1.36Å | 1.34Å | |
| C104 | N23 | sing | 1.36Å | 1.34Å | |
| S1 | C111 | sing | 1.81Å | 1.88Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 123.8° | 121.9° |
| N1 | C1 | C2 | 109.9° | 109.2° |
| N1 | C1 | C3 | 110.5° | 109.5° |
| N1 | C1 | H2 | 107.9° | 109.5° |
| C1 | N1 | C110 | 112.3° | 116.1° |
| H1 | N1 | C110 | 123.9° | 121.9° |
| C2 | C1 | C3 | 113.3° | 109.5° |
| C2 | C1 | H2 | 107.5° | 109.6° |
| C1 | C2 | O1 | 120.0° | 120.6° |
| C1 | C2 | N2 | 116.5° | 118.7° |
| C3 | C1 | H2 | 107.5° | 109.5° |
| C1 | C3 | C4 | 113.8° | 109.5° |
| C1 | C3 | H3 | 108.4° | 109.4° |
| C1 | C3 | H4 | 108.4° | 109.4° |
| O1 | C2 | N2 | 123.5° | 120.7° |
| C4 | C3 | H3 | 108.4° | 109.5° |
| C4 | C3 | H4 | 108.4° | 109.5° |
| C3 | C4 | C5 | 121.0° | 120.0° |
| C3 | C4 | C6 | 121.2° | 120.0° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| C5 | C4 | C6 | 117.8° | 120.1° |
| C4 | C5 | C7 | 121.6° | 120.1° |
| C4 | C5 | H5 | 119.2° | 119.9° |
| C4 | C6 | C8 | 121.4° | 120.1° |
| C4 | C6 | H6 | 119.3° | 120.0° |
| C7 | C5 | H5 | 119.2° | 120.0° |
| C5 | C7 | C9 | 119.7° | 119.9° |
| C5 | C7 | H7 | 120.2° | 120.1° |
| C8 | C6 | H6 | 119.3° | 119.9° |
| C6 | C8 | C9 | 119.8° | 119.9° |
| C6 | C8 | H8 | 120.1° | 120.1° |
| C9 | C7 | H7 | 120.2° | 120.0° |
| C7 | C9 | C8 | 119.7° | 119.9° |
| C7 | C9 | O2 | 120.3° | 120.0° |
| C9 | C8 | H8 | 120.1° | 120.0° |
| C8 | C9 | O2 | 119.9° | 120.1° |
| C9 | O2 | H9 | 109.5° | 114.0° |
| C10 | N2 | H10 | 118.8° | 121.5° |
| N2 | C10 | C11 | 109.5° | 108.5° |
| N2 | C10 | C12 | 109.9° | 109.7° |
| N2 | C10 | H11 | 109.1° | 109.6° |
| C10 | N2 | C2 | 122.5° | 117.1° |
| H10 | N2 | C2 | 118.7° | 121.4° |
| C11 | C10 | C12 | 112.1° | 109.6° |
| C11 | C10 | H11 | 108.1° | 109.6° |
| C10 | C11 | O3 | 119.1° | 120.3° |
| C10 | C11 | N3 | 116.6° | 119.5° |
| C12 | C10 | H11 | 108.2° | 109.8° |
| C10 | C12 | C13 | 115.0° | 109.5° |
| C10 | C12 | H12 | 108.1° | 109.5° |
| C10 | C12 | H13 | 108.1° | 109.5° |
| O3 | C11 | N3 | 124.3° | 120.3° |
| C13 | C12 | H12 | 108.1° | 109.4° |
| C13 | C12 | H13 | 108.1° | 109.5° |
| C12 | C13 | C14 | 120.6° | 120.1° |
| C12 | C13 | C15 | 121.1° | 120.0° |
| H12 | C12 | H13 | 109.5° | 109.4° |
| C14 | C13 | C15 | 118.2° | 120.0° |
| C13 | C14 | C16 | 120.9° | 120.0° |
| C13 | C14 | H14 | 119.6° | 120.0° |
| C13 | C15 | C17 | 120.8° | 120.0° |
| C13 | C15 | H15 | 119.6° | 120.0° |
| C16 | C14 | H14 | 119.5° | 120.0° |
| C14 | C16 | C18 | 120.2° | 120.0° |
| C14 | C16 | H16 | 119.9° | 120.0° |
| C17 | C15 | H15 | 119.6° | 120.0° |
| C15 | C17 | C18 | 120.1° | 120.0° |
| C15 | C17 | H17 | 119.9° | 120.0° |
| C18 | C16 | H16 | 119.9° | 120.0° |
| C16 | C18 | C17 | 119.7° | 120.0° |
| C16 | C18 | H18 | 120.1° | 120.0° |
| C18 | C17 | H17 | 119.9° | 120.0° |
| C17 | C18 | H18 | 120.1° | 120.0° |
| C19 | N3 | H19 | 117.7° | 121.9° |
| N3 | C19 | C20 | 109.6° | 108.9° |
| N3 | C19 | C21 | 111.6° | 109.5° |
| N3 | C19 | H20 | 108.7° | 109.6° |
| C19 | N3 | C11 | 124.6° | 116.2° |
| H19 | N3 | C11 | 117.7° | 121.9° |
| C20 | C19 | C21 | 110.7° | 109.6° |
| C20 | C19 | H20 | 108.1° | 109.6° |
| C19 | C20 | O4 | 117.6° | 120.4° |
| C19 | C20 | N5 | 117.4° | 119.2° |
| C21 | C19 | H20 | 108.1° | 109.6° |
| C19 | C21 | C22 | 112.5° | 109.4° |
| C19 | C21 | H21 | 108.7° | 109.5° |
| C19 | C21 | H22 | 108.7° | 109.4° |
| O4 | C20 | N5 | 124.9° | 120.4° |
| C22 | C21 | H21 | 108.7° | 109.5° |
| C22 | C21 | H22 | 108.7° | 109.5° |
| C21 | C22 | C23 | 127.0° | 126.5° |
| C21 | C22 | C24 | 126.9° | 126.5° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| C23 | C22 | C24 | 106.1° | 107.0° |
| C22 | C23 | N4 | 110.4° | 109.9° |
| C22 | C23 | H23 | 124.8° | 125.0° |
| C22 | C24 | C25 | 106.8° | 106.1° |
| C22 | C24 | C26 | 134.3° | 134.0° |
| N4 | C23 | H23 | 124.8° | 125.1° |
| C23 | N4 | C25 | 108.9° | 109.9° |
| C23 | N4 | H24 | 125.5° | 125.0° |
| C25 | C24 | C26 | 118.9° | 119.9° |
| C24 | C25 | N4 | 107.8° | 107.1° |
| C24 | C25 | C27 | 122.2° | 119.3° |
| C24 | C26 | C28 | 118.8° | 119.8° |
| C24 | C26 | H25 | 120.6° | 120.1° |
| C25 | N4 | H24 | 125.6° | 125.1° |
| N4 | C25 | C27 | 130.0° | 133.5° |
| C25 | C27 | C29 | 117.2° | 119.8° |
| C25 | C27 | H26 | 121.4° | 120.0° |
| C28 | C26 | H25 | 120.6° | 120.1° |
| C26 | C28 | C29 | 121.0° | 120.5° |
| C26 | C28 | H27 | 119.5° | 119.8° |
| C29 | C27 | H26 | 121.4° | 120.2° |
| C27 | C29 | C28 | 121.8° | 120.7° |
| C27 | C29 | H28 | 119.1° | 119.7° |
| C29 | C28 | H27 | 119.5° | 119.7° |
| C28 | C29 | H28 | 119.1° | 119.7° |
| C30 | N5 | H29 | 117.2° | 121.6° |
| N5 | C30 | C31 | 112.9° | 109.0° |
| N5 | C30 | H30 | 108.6° | 109.5° |
| N5 | C30 | H31 | 108.6° | 109.6° |
| C30 | N5 | C20 | 125.7° | 116.8° |
| H29 | N5 | C20 | 117.2° | 121.6° |
| C31 | C30 | H30 | 108.6° | 109.5° |
| C31 | C30 | H31 | 108.6° | 109.5° |
| C30 | C31 | O5 | 118.0° | 120.5° |
| C30 | C31 | N6 | 117.1° | 119.0° |
| H30 | C30 | H31 | 109.5° | 109.7° |
| O5 | C31 | N6 | 124.9° | 120.6° |
| C32 | N6 | H32 | 117.2° | 121.9° |
| N6 | C32 | C33 | 108.8° | 108.7° |
| N6 | C32 | C34 | 112.4° | 109.6° |
| N6 | C32 | H33 | 108.8° | 109.6° |
| C32 | N6 | C31 | 125.7° | 116.3° |
| H32 | N6 | C31 | 117.1° | 121.8° |
| C33 | C32 | C34 | 110.4° | 109.6° |
| C33 | C32 | H33 | 108.2° | 109.6° |
| C32 | C33 | O6 | 118.4° | 120.4° |
| C32 | C33 | N8 | 116.7° | 119.3° |
| C34 | C32 | H33 | 108.2° | 109.7° |
| C32 | C34 | C35 | 113.7° | 109.5° |
| C32 | C34 | H34 | 108.4° | 109.5° |
| C32 | C34 | H35 | 108.4° | 109.5° |
| O6 | C33 | N8 | 124.8° | 120.3° |
| C35 | C34 | H34 | 108.4° | 109.4° |
| C35 | C34 | H35 | 108.4° | 109.4° |
| C34 | C35 | O7 | 120.4° | 120.0° |
| C34 | C35 | N7 | 117.0° | 120.0° |
| H34 | C34 | H35 | 109.5° | 109.5° |
| O7 | C35 | N7 | 122.6° | 120.0° |
| C35 | N7 | H36 | 120.0° | 120.0° |
| C35 | N7 | H37 | 120.0° | 120.0° |
| H36 | N7 | H37 | 120.0° | 120.0° |
| C36 | N8 | H38 | 117.9° | 121.6° |
| N8 | C36 | C37 | 107.8° | 108.9° |
| N8 | C36 | C38 | 109.3° | 109.6° |
| N8 | C36 | H39 | 109.2° | 109.6° |
| C36 | N8 | C33 | 124.1° | 116.8° |
| H38 | N8 | C33 | 117.9° | 121.6° |
| C37 | C36 | C38 | 113.5° | 109.6° |
| C37 | C36 | H39 | 108.5° | 109.6° |
| C36 | C37 | O8 | 119.0° | 120.5° |
| C36 | C37 | N9 | 116.5° | 119.0° |
| C38 | C36 | H39 | 108.5° | 109.6° |
| C36 | C38 | C39 | 116.1° | 109.5° |
| C36 | C38 | H40 | 107.8° | 109.4° |
| C36 | C38 | H41 | 107.8° | 109.4° |
| O8 | C37 | N9 | 124.5° | 120.5° |
| C39 | C38 | H40 | 107.8° | 109.5° |
| C39 | C38 | H41 | 107.8° | 109.5° |
| C38 | C39 | C40 | 111.4° | 109.5° |
| C38 | C39 | C41 | 110.9° | 109.4° |
| C38 | C39 | H42 | 108.0° | 109.5° |
| H40 | C38 | H41 | 109.4° | 109.5° |
| C40 | C39 | C41 | 110.1° | 109.5° |
| C40 | C39 | H42 | 108.1° | 109.5° |
| C39 | C40 | H43 | 109.5° | 109.5° |
| C39 | C40 | H44 | 109.5° | 109.5° |
| C39 | C40 | H45 | 109.5° | 109.5° |
| C41 | C39 | H42 | 108.2° | 109.5° |
| C39 | C41 | H46 | 109.5° | 109.5° |
| C39 | C41 | H47 | 109.4° | 109.5° |
| C39 | C41 | H48 | 109.5° | 109.5° |
| H43 | C40 | H44 | 109.4° | 109.4° |
| H43 | C40 | H45 | 109.5° | 109.5° |
| H44 | C40 | H45 | 109.4° | 109.5° |
| H46 | C41 | H47 | 109.5° | 109.4° |
| H46 | C41 | H48 | 109.4° | 109.5° |
| H47 | C41 | H48 | 109.5° | 109.5° |
| C42 | N9 | H49 | 116.9° | 121.9° |
| N9 | C42 | C43 | 108.3° | 108.8° |
| N9 | C42 | C44 | 111.9° | 109.6° |
| N9 | C42 | H50 | 109.6° | 109.6° |
| C42 | N9 | C37 | 126.2° | 116.2° |
| H49 | N9 | C37 | 116.9° | 121.9° |
| C43 | C42 | C44 | 109.0° | 109.6° |
| C43 | C42 | H50 | 109.1° | 109.6° |
| C42 | C43 | O9 | 117.4° | 120.5° |
| C42 | C43 | N12 | 118.0° | 119.1° |
| C44 | C42 | H50 | 108.9° | 109.7° |
| C42 | C44 | C45 | 114.7° | 109.5° |
| C42 | C44 | H51 | 108.1° | 109.5° |
| C42 | C44 | H52 | 108.1° | 109.4° |
| O9 | C43 | N12 | 124.6° | 120.4° |
| C45 | C44 | H51 | 108.1° | 109.5° |
| C45 | C44 | H52 | 108.1° | 109.5° |
| C44 | C45 | N10 | 122.3° | 126.0° |
| C44 | C45 | C46 | 131.2° | 126.0° |
| H51 | C44 | H52 | 109.5° | 109.5° |
| N10 | C45 | C46 | 106.4° | 108.0° |
| C45 | N10 | C47 | 109.4° | 109.2° |
| C45 | N10 | H53 | 125.3° | 125.4° |
| C45 | C46 | N11 | 107.5° | 106.8° |
| C45 | C46 | H54 | 126.3° | 126.6° |
| C47 | N10 | H53 | 125.3° | 125.4° |
| N10 | C47 | N11 | 108.1° | 108.7° |
| N10 | C47 | H55 | 126.0° | 125.6° |
| N11 | C46 | H54 | 126.3° | 126.5° |
| C46 | N11 | C47 | 108.7° | 107.2° |
| C46 | N11 | H56 | 125.6° | 126.4° |
| N11 | C47 | H55 | 125.9° | 125.7° |
| C47 | N11 | H56 | 125.7° | 126.4° |
| C48 | N12 | H57 | 118.4° | 121.6° |
| N12 | C48 | C49 | 109.1° | 108.9° |
| N12 | C48 | C50 | 112.2° | 109.6° |
| N12 | C48 | H58 | 108.5° | 109.6° |
| C48 | N12 | C43 | 123.2° | 116.8° |
| H57 | N12 | C43 | 118.4° | 121.6° |
| C49 | C48 | C50 | 111.1° | 109.6° |
| C49 | C48 | H58 | 107.9° | 109.5° |
| C48 | C49 | O10 | 118.0° | 120.5° |
| C48 | C49 | N14 | 117.1° | 119.0° |
| C50 | C48 | H58 | 107.9° | 109.7° |
| C48 | C50 | C51 | 111.6° | 109.5° |
| C48 | C50 | H59 | 108.9° | 109.5° |
| C48 | C50 | H60 | 109.0° | 109.5° |
| O10 | C49 | N14 | 124.9° | 120.5° |
| C51 | C50 | H59 | 108.9° | 109.5° |
| C51 | C50 | H60 | 108.9° | 109.4° |
| C50 | C51 | C52 | 127.6° | 126.5° |
| C50 | C51 | C53 | 126.2° | 126.5° |
| H59 | C50 | H60 | 109.5° | 109.5° |
| C52 | C51 | C53 | 106.2° | 107.0° |
| C51 | C52 | N13 | 110.2° | 109.9° |
| C51 | C52 | H61 | 124.9° | 125.0° |
| C51 | C53 | C54 | 107.0° | 106.0° |
| C51 | C53 | C55 | 134.2° | 134.0° |
| N13 | C52 | H61 | 124.9° | 125.0° |
| C52 | N13 | C54 | 109.1° | 109.9° |
| C52 | N13 | H62 | 125.4° | 125.1° |
| C54 | C53 | C55 | 118.8° | 120.0° |
| C53 | C54 | N13 | 107.4° | 107.1° |
| C53 | C54 | C56 | 122.2° | 119.3° |
| C53 | C55 | C57 | 119.0° | 119.7° |
| C53 | C55 | H63 | 120.5° | 120.1° |
| C54 | N13 | H62 | 125.4° | 125.0° |
| N13 | C54 | C56 | 130.4° | 133.5° |
| C54 | C56 | C58 | 117.2° | 119.8° |
| C54 | C56 | H64 | 121.4° | 120.1° |
| C57 | C55 | H63 | 120.5° | 120.1° |
| C55 | C57 | C58 | 121.1° | 120.5° |
| C55 | C57 | H65 | 119.4° | 119.7° |
| C58 | C56 | H64 | 121.4° | 120.1° |
| C56 | C58 | C57 | 121.6° | 120.7° |
| C56 | C58 | H66 | 119.2° | 119.6° |
| C58 | C57 | H65 | 119.5° | 119.7° |
| C57 | C58 | H66 | 119.2° | 119.7° |
| C59 | N14 | H67 | 117.4° | 121.9° |
| N14 | C59 | C60 | 109.1° | 108.8° |
| N14 | C59 | C61 | 110.3° | 109.5° |
| N14 | C59 | H68 | 109.0° | 109.6° |
| C59 | N14 | C49 | 125.3° | 116.3° |
| H67 | N14 | C49 | 117.3° | 121.9° |
| C60 | C59 | C61 | 111.6° | 109.6° |
| C60 | C59 | H68 | 108.4° | 109.6° |
| C59 | C60 | O11 | 118.7° | 120.5° |
| C59 | C60 | N15 | 117.0° | 119.1° |
| C61 | C59 | H68 | 108.4° | 109.7° |
| C59 | C61 | C62 | 114.3° | 109.5° |
| C59 | C61 | H69 | 108.3° | 109.5° |
| C59 | C61 | H70 | 108.3° | 109.5° |
| O11 | C60 | N15 | 124.3° | 120.4° |
| C62 | C61 | H69 | 108.2° | 109.5° |
| C62 | C61 | H70 | 108.2° | 109.4° |
| C61 | C62 | C63 | 120.8° | 119.9° |
| C61 | C62 | C64 | 121.4° | 120.0° |
| H69 | C61 | H70 | 109.4° | 109.5° |
| C63 | C62 | C64 | 117.8° | 120.1° |
| C62 | C63 | C65 | 121.5° | 120.1° |
| C62 | C63 | H71 | 119.2° | 120.0° |
| C62 | C64 | C66 | 121.5° | 120.1° |
| C62 | C64 | H72 | 119.2° | 120.0° |
| C65 | C63 | H71 | 119.3° | 120.0° |
| C63 | C65 | C67 | 119.8° | 120.0° |
| C63 | C65 | H73 | 120.1° | 120.1° |
| C66 | C64 | H72 | 119.3° | 119.9° |
| C64 | C66 | C67 | 119.8° | 120.0° |
| C64 | C66 | H74 | 120.1° | 120.0° |
| C67 | C65 | H73 | 120.1° | 120.0° |
| C65 | C67 | C66 | 119.6° | 119.9° |
| C65 | C67 | O12 | 120.0° | 120.1° |
| C67 | C66 | H74 | 120.1° | 120.0° |
| C66 | C67 | O12 | 120.3° | 120.1° |
| C67 | O12 | H75 | 109.5° | 114.0° |
| C68 | N15 | H76 | 117.5° | 121.6° |
| N15 | C68 | C69 | 109.8° | 108.9° |
| N15 | C68 | C70 | 111.0° | 109.5° |
| N15 | C68 | H77 | 108.8° | 109.5° |
| C68 | N15 | C60 | 125.0° | 116.8° |
| H76 | N15 | C60 | 117.5° | 121.6° |
| C69 | C68 | C70 | 110.6° | 109.6° |
| C69 | C68 | H77 | 108.3° | 109.6° |
| C68 | C69 | O13 | 118.4° | 120.5° |
| C68 | C69 | N16 | 117.3° | 119.0° |
| C70 | C68 | H77 | 108.3° | 109.7° |
| C68 | C70 | C71 | 115.1° | 109.5° |
| C68 | C70 | H78 | 108.1° | 109.5° |
| C68 | C70 | H79 | 108.1° | 109.4° |
| O13 | C69 | N16 | 124.3° | 120.5° |
| C71 | C70 | H78 | 108.0° | 109.5° |
| C71 | C70 | H79 | 108.0° | 109.4° |
| C70 | C71 | C72 | 120.9° | 119.9° |
| C70 | C71 | C73 | 121.4° | 120.0° |
| H78 | C70 | H79 | 109.5° | 109.5° |
| C72 | C71 | C73 | 117.7° | 120.1° |
| C71 | C72 | C74 | 121.5° | 120.1° |
| C71 | C72 | H80 | 119.2° | 120.0° |
| C71 | C73 | C75 | 121.6° | 120.0° |
| C71 | C73 | H81 | 119.2° | 120.0° |
| C74 | C72 | H80 | 119.3° | 120.0° |
| C72 | C74 | C76 | 119.9° | 119.9° |
| C72 | C74 | H82 | 120.0° | 120.0° |
| C75 | C73 | H81 | 119.2° | 120.0° |
| C73 | C75 | C76 | 119.8° | 120.0° |
| C73 | C75 | H83 | 120.1° | 120.0° |
| C76 | C74 | H82 | 120.1° | 120.0° |
| C74 | C76 | C75 | 119.6° | 119.9° |
| C74 | C76 | O14 | 119.6° | 120.1° |
| C76 | C75 | H83 | 120.1° | 120.0° |
| C75 | C76 | O14 | 120.8° | 120.1° |
| C76 | O14 | H84 | 109.5° | 114.0° |
| C77 | N16 | H85 | 117.2° | 121.8° |
| N16 | C77 | C78 | 110.0° | 108.7° |
| N16 | C77 | C79 | 110.9° | 109.6° |
| N16 | C77 | H86 | 109.1° | 109.6° |
| C77 | N16 | C69 | 125.6° | 116.3° |
| H85 | N16 | C69 | 117.2° | 121.9° |
| C78 | C77 | C79 | 109.8° | 109.6° |
| C78 | C77 | H86 | 108.5° | 109.6° |
| C77 | C78 | O15 | 118.3° | 120.4° |
| C77 | C78 | N17 | 117.1° | 119.3° |
| C79 | C77 | H86 | 108.6° | 109.7° |
| C77 | C79 | C80 | 114.1° | 109.5° |
| C77 | C79 | H87 | 108.3° | 109.5° |
| C77 | C79 | H88 | 108.3° | 109.5° |
| O15 | C78 | N17 | 124.6° | 120.4° |
| C80 | C79 | H87 | 108.3° | 109.5° |
| C80 | C79 | H88 | 108.3° | 109.5° |
| C79 | C80 | C81 | 116.5° | 109.5° |
| C79 | C80 | H89 | 107.7° | 109.5° |
| C79 | C80 | H90 | 107.7° | 109.5° |
| H87 | C79 | H88 | 109.5° | 109.5° |
| C81 | C80 | H89 | 107.7° | 109.4° |
| C81 | C80 | H90 | 107.7° | 109.4° |
| C80 | C81 | O16 | 118.7° | 120.0° |
| C80 | C81 | O17 | 118.0° | 120.0° |
| H89 | C80 | H90 | 109.5° | 109.5° |
| O16 | C81 | O17 | 123.3° | 120.0° |
| C81 | O17 | H91 | 109.5° | 117.0° |
| C82 | N17 | H92 | 117.5° | 121.6° |
| N17 | C82 | C83 | 107.1° | 109.0° |
| N17 | C82 | C84 | 111.2° | 109.6° |
| N17 | C82 | H93 | 110.2° | 109.6° |
| C82 | N17 | C78 | 125.1° | 116.7° |
| H92 | N17 | C78 | 117.4° | 121.7° |
| C83 | C82 | C84 | 109.0° | 109.5° |
| C83 | C82 | H93 | 109.6° | 109.5° |
| C82 | C83 | O18 | 117.9° | 120.6° |
| C82 | C83 | N19 | 118.0° | 118.8° |
| C84 | C82 | H93 | 109.6° | 109.6° |
| C82 | C84 | C85 | 113.9° | 109.4° |
| C82 | C84 | H94 | 108.3° | 109.5° |
| C82 | C84 | H95 | 108.4° | 109.5° |
| O18 | C83 | N19 | 124.1° | 120.6° |
| C85 | C84 | H94 | 108.4° | 109.4° |
| C85 | C84 | H95 | 108.3° | 109.4° |
| C84 | C85 | C86 | 113.1° | 109.5° |
| C84 | C85 | H96 | 108.6° | 109.5° |
| C84 | C85 | H97 | 108.6° | 109.5° |
| H94 | C84 | H95 | 109.5° | 109.5° |
| C86 | C85 | H96 | 108.5° | 109.5° |
| C86 | C85 | H97 | 108.6° | 109.5° |
| C85 | C86 | O19 | 121.1° | 120.0° |
| C85 | C86 | N18 | 116.6° | 120.0° |
| H96 | C85 | H97 | 109.5° | 109.4° |
| O19 | C86 | N18 | 122.3° | 120.0° |
| C86 | N18 | H98 | 120.0° | 120.0° |
| C86 | N18 | H99 | 120.0° | 120.0° |
| H98 | N18 | H99 | 120.0° | 120.0° |
| C87 | N19 | H100 | 120.3° | 121.9° |
| N19 | C87 | C88 | 106.5° | 108.8° |
| N19 | C87 | C89 | 111.0° | 109.6° |
| N19 | C87 | H101 | 108.7° | 109.6° |
| C87 | N19 | C83 | 119.5° | 116.3° |
| H100 | N19 | C83 | 120.3° | 121.8° |
| C88 | C87 | C89 | 114.3° | 109.6° |
| C88 | C87 | H101 | 108.1° | 109.6° |
| C87 | C88 | O20 | 118.7° | 120.4° |
| C87 | C88 | N20 | 116.8° | 119.1° |
| C89 | C87 | H101 | 108.1° | 109.7° |
| C87 | C89 | C90 | 113.7° | 109.4° |
| C87 | C89 | H102 | 108.4° | 109.4° |
| C87 | C89 | H103 | 108.4° | 109.5° |
| O20 | C88 | N20 | 124.5° | 120.4° |
| C90 | C89 | H102 | 108.4° | 109.5° |
| C90 | C89 | H103 | 108.4° | 109.5° |
| C89 | C90 | C91 | 120.8° | 120.0° |
| C89 | C90 | C92 | 120.9° | 120.0° |
| H102 | C89 | H103 | 109.5° | 109.5° |
| C91 | C90 | C92 | 118.3° | 120.0° |
| C90 | C91 | C93 | 120.9° | 120.0° |
| C90 | C91 | H104 | 119.5° | 120.0° |
| C90 | C92 | C94 | 120.9° | 120.0° |
| C90 | C92 | H105 | 119.6° | 120.0° |
| C93 | C91 | H104 | 119.5° | 120.0° |
| C91 | C93 | C95 | 120.0° | 120.0° |
| C91 | C93 | H106 | 120.0° | 120.0° |
| C94 | C92 | H105 | 119.6° | 120.0° |
| C92 | C94 | C95 | 120.1° | 120.0° |
| C92 | C94 | H107 | 120.0° | 120.0° |
| C95 | C93 | H106 | 120.0° | 120.0° |
| C93 | C95 | C94 | 119.9° | 120.0° |
| C93 | C95 | H108 | 120.1° | 120.1° |
| C95 | C94 | H107 | 120.0° | 120.0° |
| C94 | C95 | H108 | 120.1° | 120.0° |
| C96 | N20 | H109 | 119.1° | 121.6° |
| N20 | C96 | C97 | 109.7° | 108.6° |
| N20 | C96 | C98 | 112.5° | 109.6° |
| N20 | C96 | H110 | 107.0° | 109.6° |
| C96 | N20 | C88 | 121.8° | 116.9° |
| H109 | N20 | C88 | 119.1° | 121.5° |
| C97 | C96 | C98 | 114.2° | 109.6° |
| C97 | C96 | H110 | 106.5° | 109.6° |
| C96 | C97 | O21 | 118.0° | 120.2° |
| C96 | C97 | N21 | 117.6° | 119.7° |
| C98 | C96 | H110 | 106.5° | 109.7° |
| C96 | C98 | C99 | 111.2° | 109.4° |
| C96 | C98 | H111 | 109.0° | 109.5° |
| C96 | C98 | H112 | 109.0° | 109.5° |
| O21 | C97 | N21 | 124.4° | 120.1° |
| C99 | C98 | H111 | 109.0° | 109.5° |
| C99 | C98 | H112 | 109.0° | 109.4° |
| C98 | C99 | O22 | 118.0° | 120.0° |
| C98 | C99 | O23 | 117.9° | 120.0° |
| H111 | C98 | H112 | 109.4° | 109.5° |
| O22 | C99 | O23 | 124.1° | 120.0° |
| C99 | O23 | H113 | 109.5° | 117.1° |
| C100 | N21 | H114 | 119.2° | 122.1° |
| N21 | C100 | C101 | 111.2° | 109.2° |
| N21 | C100 | C102 | 110.6° | 109.5° |
| N21 | C100 | H115 | 108.1° | 109.5° |
| C100 | N21 | C97 | 121.6° | 116.0° |
| H114 | N21 | C97 | 119.2° | 122.0° |
| C101 | C100 | C102 | 111.2° | 109.5° |
| C101 | C100 | H115 | 107.6° | 109.5° |
| C100 | C101 | O24 | 118.0° | 120.7° |
| C100 | C101 | N22 | 117.5° | 118.6° |
| C102 | C100 | H115 | 107.9° | 109.6° |
| C100 | C102 | O25 | 110.8° | 109.5° |
| C100 | C102 | H116 | 109.1° | 109.4° |
| C100 | C102 | H117 | 109.1° | 109.5° |
| O24 | C101 | N22 | 124.6° | 120.7° |
| O25 | C102 | H116 | 109.2° | 109.4° |
| O25 | C102 | H117 | 109.1° | 109.5° |
| C102 | O25 | H118 | 109.5° | 114.0° |
| H116 | C102 | H117 | 109.5° | 109.5° |
| C103 | N22 | H119 | 119.1° | 121.5° |
| N22 | C103 | C104 | 106.6° | 108.7° |
| N22 | C103 | C105 | 110.7° | 109.6° |
| N22 | C103 | H120 | 109.4° | 109.6° |
| C103 | N22 | C101 | 121.9° | 117.0° |
| H119 | N22 | C101 | 119.1° | 121.5° |
| C104 | C103 | C105 | 112.5° | 109.6° |
| C104 | C103 | H120 | 108.9° | 109.6° |
| C103 | C104 | O26 | 118.2° | 120.2° |
| C103 | C104 | N23 | 117.2° | 119.5° |
| C105 | C103 | H120 | 108.7° | 109.7° |
| C103 | C105 | O27 | 108.0° | 109.5° |
| C103 | C105 | C106 | 112.7° | 109.5° |
| C103 | C105 | H121 | 108.3° | 109.5° |
| O26 | C104 | N23 | 124.6° | 120.2° |
| O27 | C105 | C106 | 109.6° | 109.4° |
| O27 | C105 | H121 | 109.7° | 109.4° |
| C105 | O27 | H122 | 109.5° | 114.0° |
| C106 | C105 | H121 | 108.5° | 109.5° |
| C105 | C106 | H123 | 109.5° | 109.5° |
| C105 | C106 | H124 | 109.5° | 109.5° |
| C105 | C106 | H125 | 109.5° | 109.4° |
| H123 | C106 | H124 | 109.4° | 109.5° |
| H123 | C106 | H125 | 109.5° | 109.5° |
| H124 | C106 | H125 | 109.5° | 109.4° |
| C107 | N23 | H126 | 121.0° | 122.0° |
| N23 | C107 | C108 | 109.1° | 109.6° |
| N23 | C107 | C109 | 114.6° | 109.0° |
| N23 | C107 | H127 | 108.9° | 109.5° |
| C107 | N23 | C104 | 118.0° | 116.1° |
| H126 | N23 | C104 | 121.0° | 121.9° |
| C108 | C107 | C109 | 107.7° | 109.5° |
| C108 | C107 | H127 | 108.0° | 109.6° |
| C107 | C108 | O28 | 118.8° | 120.0° |
| C107 | C108 | O29 | 53.7° | 120.0° |
| C109 | C107 | H127 | 108.4° | 109.6° |
| C107 | C109 | S1 | 114.2° | 109.5° |
| C107 | C109 | H128 | 108.3° | 109.4° |
| C107 | C109 | H129 | 108.2° | 109.5° |
| O28 | C108 | O29 | 131.4° | 120.0° |
| C108 | O29 | H130 | 90.0° | 117.0° |
| S1 | C109 | H128 | 108.3° | 109.5° |
| S1 | C109 | H129 | 108.3° | 109.5° |
| C109 | S1 | C111 | 131.4° | 103.1° |
| H128 | C109 | H129 | 109.5° | 109.4° |
| O30 | C110 | C111 | 113.1° | 120.4° |
| O30 | C110 | N1 | 137.5° | 120.3° |
| C110 | C111 | H131 | 112.5° | 109.7° |
| C110 | C111 | H132 | 112.5° | 109.5° |
| C111 | C110 | N1 | 107.5° | 119.3° |
| C110 | C111 | S1 | 97.0° | 109.2° |
| H131 | C111 | H132 | 109.5° | 109.5° |
| H131 | C111 | S1 | 112.5° | 109.5° |
| H132 | C111 | S1 | 112.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C110 | 180.0° | 179.7° |
| N1 | C1 | C2 | C3 | 124.2° | 119.9° |
| N1 | C1 | C2 | H2 | 117.2° | 119.9° |
| N1 | C1 | C3 | H2 | 117.5° | 120.1° |
| N1 | C1 | C2 | O1 | 142.8° | 3.4° |
| N1 | C1 | C3 | C4 | 115.0° | 62.8° |
| N1 | C1 | C3 | H3 | 124.4° | 177.1° |
| N1 | C1 | C3 | H4 | 5.6° | 57.2° |
| C1 | N1 | C110 | O30 | 17.7° | 1.6° |
| C1 | N1 | C110 | C111 | 179.9° | 178.6° |
| N1 | C1 | C2 | N2 | 38.5° | 176.5° |
| H1 | N1 | C1 | C2 | 122.7° | 38.2° |
| H1 | N1 | C1 | C3 | 3.1° | 81.7° |
| H1 | N1 | C1 | H2 | 120.3° | 158.2° |
| H1 | N1 | C110 | O30 | 162.3° | 178.6° |
| H1 | N1 | C110 | C111 | 0.1° | 1.1° |
| C2 | C1 | C3 | H2 | 118.7° | 120.2° |
| C1 | C2 | O1 | N2 | 178.6° | 179.9° |
| C2 | C1 | C3 | C4 | 121.2° | 177.5° |
| C2 | C1 | C3 | H3 | 0.6° | 57.4° |
| C2 | C1 | C3 | H4 | 118.2° | 62.5° |
| C1 | C2 | N2 | C10 | 162.8° | 179.7° |
| C1 | C2 | N2 | H10 | 17.2° | 0.4° |
| C2 | C1 | N1 | C110 | 57.2° | 142.0° |
| C3 | C1 | C2 | O1 | 93.0° | 116.5° |
| C1 | C3 | C4 | H3 | 120.6° | 120.0° |
| C1 | C3 | C4 | H4 | 120.6° | 120.0° |
| C1 | C3 | H3 | H4 | 118.0° | 119.9° |
| C1 | C3 | C4 | C5 | 63.1° | 93.5° |
| C1 | C3 | C4 | C6 | 115.7° | 86.8° |
| C3 | C1 | N1 | C110 | 177.0° | 98.1° |
| C3 | C1 | C2 | N2 | 85.7° | 63.6° |
| H2 | C1 | C2 | O1 | 25.7° | 123.3° |
| H2 | C1 | C3 | C4 | 2.5° | 57.3° |
| H2 | C1 | C3 | H3 | 118.1° | 62.8° |
| H2 | C1 | C3 | H4 | 123.1° | 177.3° |
| H2 | C1 | N1 | C110 | 59.7° | 22.1° |
| H2 | C1 | C2 | N2 | 155.7° | 56.6° |
| O1 | C2 | N2 | C10 | 18.6° | 0.2° |
| O1 | C2 | N2 | H10 | 161.4° | 179.7° |
| C4 | C3 | H3 | H4 | 118.0° | 120.1° |
| C3 | C4 | C5 | C6 | 178.8° | 179.7° |
| C3 | C4 | C5 | C7 | 179.3° | 180.0° |
| C3 | C4 | C5 | H5 | 0.7° | 0.0° |
| C3 | C4 | C6 | C8 | 179.5° | 180.0° |
| C3 | C4 | C6 | H6 | 0.5° | 0.0° |
| H3 | C3 | C4 | C5 | 176.3° | 26.5° |
| H3 | C3 | C4 | C6 | 4.9° | 153.2° |
| H4 | C3 | C4 | C5 | 57.6° | 146.5° |
| H4 | C3 | C4 | C6 | 123.7° | 33.2° |
| C4 | C5 | C7 | H5 | 180.0° | 180.0° |
| C5 | C4 | C6 | C8 | 0.7° | 0.3° |
| C5 | C4 | C6 | H6 | 179.3° | 179.7° |
| C4 | C5 | C7 | C9 | 0.1° | 0.0° |
| C4 | C5 | C7 | H7 | 179.9° | 180.0° |
| C6 | C4 | C5 | C7 | 0.5° | 0.3° |
| C6 | C4 | C5 | H5 | 179.5° | 179.7° |
| C4 | C6 | C8 | H6 | 180.0° | 180.0° |
| C4 | C6 | C8 | C9 | 0.5° | 0.0° |
| C4 | C6 | C8 | H8 | 179.4° | 180.0° |
| C5 | C7 | C9 | H7 | 180.0° | 180.0° |
| C5 | C7 | C9 | C8 | 0.1° | 0.3° |
| C5 | C7 | C9 | O2 | 180.0° | 180.0° |
| H5 | C5 | C7 | C9 | 179.9° | 180.0° |
| H5 | C5 | C7 | H7 | 0.1° | 0.0° |
| C6 | C8 | C9 | C7 | 0.1° | 0.3° |
| C6 | C8 | C9 | H8 | 180.0° | 180.0° |
| C6 | C8 | C9 | O2 | 179.8° | 180.0° |
| H6 | C6 | C8 | C9 | 179.5° | 180.0° |
| H6 | C6 | C8 | H8 | 0.5° | 0.0° |
| C7 | C9 | C8 | O2 | 179.9° | 179.7° |
| C7 | C9 | C8 | H8 | 179.9° | 179.7° |
| C7 | C9 | O2 | H9 | 180.0° | 90.0° |
| H7 | C7 | C9 | C8 | 179.9° | 179.7° |
| H7 | C7 | C9 | O2 | 0.0° | 0.0° |
| C8 | C9 | O2 | H9 | 0.1° | 89.7° |
| H8 | C8 | C9 | O2 | 0.2° | 0.0° |
| C10 | N2 | H10 | C2 | 180.0° | 179.9° |
| N2 | C10 | C11 | C12 | 122.2° | 119.8° |
| N2 | C10 | C11 | H11 | 118.7° | 119.7° |
| N2 | C10 | C12 | H11 | 119.0° | 120.5° |
| N2 | C10 | C11 | O3 | 0.9° | 0.1° |
| N2 | C10 | C12 | C13 | 134.1° | 65.0° |
| N2 | C10 | C12 | H12 | 13.3° | 55.0° |
| N2 | C10 | C12 | H13 | 105.2° | 174.9° |
| N2 | C10 | C11 | N3 | 179.7° | 179.9° |
| H10 | N2 | C10 | C11 | 86.2° | 15.2° |
| H10 | N2 | C10 | C12 | 37.3° | 104.5° |
| H10 | N2 | C10 | H11 | 155.8° | 134.9° |
| C11 | C10 | C12 | H11 | 119.0° | 120.4° |
| C10 | C11 | O3 | N3 | 179.3° | 179.9° |
| C11 | C10 | C12 | C13 | 104.0° | 176.0° |
| C11 | C10 | C12 | H12 | 135.2° | 64.1° |
| C11 | C10 | C12 | H13 | 16.8° | 55.9° |
| C10 | C11 | N3 | C19 | 173.6° | 179.7° |
| C10 | C11 | N3 | H19 | 6.4° | 0.3° |
| C11 | C10 | N2 | C2 | 93.9° | 164.9° |
| C12 | C10 | C11 | O3 | 123.2° | 119.7° |
| C10 | C12 | C13 | H12 | 120.8° | 120.0° |
| C10 | C12 | C13 | H13 | 120.8° | 120.1° |
| C10 | C12 | H12 | H13 | 117.5° | 120.0° |
| C10 | C12 | C13 | C14 | 61.8° | 90.0° |
| C10 | C12 | C13 | C15 | 119.6° | 90.3° |
| C12 | C10 | N2 | C2 | 142.6° | 75.4° |
| C12 | C10 | C11 | N3 | 57.5° | 60.4° |
| H11 | C10 | C11 | O3 | 117.7° | 119.8° |
| H11 | C10 | C12 | C13 | 15.1° | 55.5° |
| H11 | C10 | C12 | H12 | 105.7° | 175.5° |
| H11 | C10 | C12 | H13 | 135.8° | 64.6° |
| H11 | C10 | N2 | C2 | 24.2° | 45.2° |
| H11 | C10 | C11 | N3 | 61.6° | 60.2° |
| O3 | C11 | N3 | C19 | 7.1° | 0.3° |
| O3 | C11 | N3 | H19 | 172.9° | 179.8° |
| C13 | C12 | H12 | H13 | 117.5° | 120.0° |
| C12 | C13 | C14 | C15 | 178.6° | 179.7° |
| C12 | C13 | C14 | C16 | 179.7° | 180.0° |
| C12 | C13 | C14 | H14 | 0.3° | 0.0° |
| C12 | C13 | C15 | C17 | 179.5° | 180.0° |
| C12 | C13 | C15 | H15 | 0.5° | 0.0° |
| H12 | C12 | C13 | C14 | 59.0° | 30.0° |
| H12 | C12 | C13 | C15 | 119.6° | 149.7° |
| H13 | C12 | C13 | C14 | 177.4° | 149.9° |
| H13 | C12 | C13 | C15 | 1.2° | 29.8° |
| C13 | C14 | C16 | H14 | 180.0° | 179.9° |
| C14 | C13 | C15 | C17 | 0.9° | 0.3° |
| C14 | C13 | C15 | H15 | 179.1° | 179.7° |
| C13 | C14 | C16 | C18 | 0.8° | 0.1° |
| C13 | C14 | C16 | H16 | 179.2° | 179.9° |
| C15 | C13 | C14 | C16 | 1.1° | 0.3° |
| C15 | C13 | C14 | H14 | 178.9° | 179.7° |
| C13 | C15 | C17 | H15 | 180.0° | 180.0° |
| C13 | C15 | C17 | C18 | 0.4° | 0.0° |
| C13 | C15 | C17 | H17 | 179.6° | 180.0° |
| C14 | C16 | C18 | H16 | 180.0° | 179.9° |
| C14 | C16 | C18 | C17 | 0.2° | 0.1° |
| C14 | C16 | C18 | H18 | 179.8° | 180.0° |
| H14 | C14 | C16 | C18 | 179.2° | 180.0° |
| H14 | C14 | C16 | H16 | 0.8° | 0.0° |
| C15 | C17 | C18 | C16 | 0.0° | 0.2° |
| C15 | C17 | C18 | H17 | 180.0° | 179.9° |
| C15 | C17 | C18 | H18 | 180.0° | 180.0° |
| H15 | C15 | C17 | C18 | 179.6° | 179.9° |
| H15 | C15 | C17 | H17 | 0.4° | 0.0° |
| C16 | C18 | C17 | H18 | 180.0° | 179.9° |
| C16 | C18 | C17 | H17 | 180.0° | 179.8° |
| H16 | C16 | C18 | C17 | 179.8° | 179.8° |
| H16 | C16 | C18 | H18 | 0.2° | 0.1° |
| H17 | C17 | C18 | H18 | 0.0° | 0.1° |
| C19 | N3 | H19 | C11 | 180.0° | 180.0° |
| N3 | C19 | C20 | C21 | 123.5° | 119.8° |
| N3 | C19 | C20 | H20 | 118.3° | 119.9° |
| N3 | C19 | C21 | H20 | 119.5° | 120.3° |
| N3 | C19 | C20 | O4 | 50.5° | 11.1° |
| N3 | C19 | C21 | C22 | 178.1° | 173.9° |
| N3 | C19 | C21 | H21 | 61.5° | 66.1° |
| N3 | C19 | C21 | H22 | 57.6° | 53.9° |
| N3 | C19 | C20 | N5 | 131.5° | 168.9° |
| H19 | N3 | C19 | C20 | 101.2° | 32.7° |
| H19 | N3 | C19 | C21 | 21.8° | 152.5° |
| H19 | N3 | C19 | H20 | 140.9° | 87.2° |
| C20 | C19 | C21 | H20 | 118.2° | 120.3° |
| C19 | C20 | O4 | N5 | 177.8° | 179.9° |
| C20 | C19 | C21 | C22 | 55.7° | 54.5° |
| C20 | C19 | C21 | H21 | 176.2° | 174.5° |
| C20 | C19 | C21 | H22 | 64.7° | 65.5° |
| C19 | C20 | N5 | C30 | 174.2° | 179.5° |
| C19 | C20 | N5 | H29 | 5.8° | 0.5° |
| C20 | C19 | N3 | C11 | 78.8° | 147.3° |
| C21 | C19 | C20 | O4 | 73.0° | 130.9° |
| C19 | C21 | C22 | H21 | 120.5° | 120.0° |
| C19 | C21 | C22 | H22 | 120.5° | 120.0° |
| C19 | C21 | H21 | H22 | 118.6° | 120.0° |
| C19 | C21 | C22 | C23 | 105.0° | 109.5° |
| C19 | C21 | C22 | C24 | 72.5° | 70.1° |
| C21 | C19 | N3 | C11 | 158.2° | 27.5° |
| C21 | C19 | C20 | N5 | 104.9° | 49.1° |
| H20 | C19 | C20 | O4 | 168.8° | 108.7° |
| H20 | C19 | C21 | C22 | 62.5° | 65.9° |
| H20 | C19 | C21 | H21 | 58.0° | 54.1° |
| H20 | C19 | C21 | H22 | 177.1° | 174.1° |
| H20 | C19 | N3 | C11 | 39.1° | 92.8° |
| H20 | C19 | C20 | N5 | 13.2° | 71.2° |
| O4 | C20 | N5 | C30 | 3.6° | 0.4° |
| O4 | C20 | N5 | H29 | 176.4° | 179.6° |
| C22 | C21 | H21 | H22 | 118.6° | 120.1° |
| C21 | C22 | C23 | C24 | 177.9° | 179.7° |
| C21 | C22 | C23 | N4 | 178.5° | 180.0° |
| C21 | C22 | C23 | H23 | 1.5° | 0.1° |
| C21 | C22 | C24 | C25 | 178.7° | 180.0° |
| C21 | C22 | C24 | C26 | 2.0° | 0.1° |
| H21 | C21 | C22 | C23 | 134.5° | 130.5° |
| H21 | C21 | C22 | C24 | 48.0° | 49.8° |
| H22 | C21 | C22 | C23 | 15.5° | 10.4° |
| H22 | C21 | C22 | C24 | 167.0° | 169.9° |
| C22 | C23 | N4 | H23 | 180.0° | 179.9° |
| C23 | C22 | C24 | C25 | 0.8° | 0.3° |
| C23 | C22 | C24 | C26 | 179.9° | 179.8° |
| C22 | C23 | N4 | C25 | 0.2° | 0.2° |
| C22 | C23 | N4 | H24 | 179.7° | 180.0° |
| C24 | C22 | C23 | N4 | 0.6° | 0.3° |
| C24 | C22 | C23 | H23 | 179.4° | 179.8° |
| C22 | C24 | C25 | C26 | 179.5° | 179.9° |
| C22 | C24 | C25 | N4 | 0.6° | 0.2° |
| C22 | C24 | C25 | C27 | 179.4° | 180.0° |
| C22 | C24 | C26 | C28 | 179.3° | 180.0° |
| C22 | C24 | C26 | H25 | 0.7° | 0.1° |
| C23 | N4 | C25 | C24 | 0.3° | 0.0° |
| C23 | N4 | C25 | H24 | 180.0° | 179.8° |
| C23 | N4 | C25 | C27 | 179.7° | 179.8° |
| H23 | C23 | N4 | C25 | 179.8° | 179.9° |
| H23 | C23 | N4 | H24 | 0.2° | 0.1° |
| C24 | C25 | N4 | C27 | 180.0° | 179.8° |
| C24 | C25 | N4 | H24 | 179.8° | 179.8° |
| C25 | C24 | C26 | C28 | 0.0° | 0.1° |
| C25 | C24 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C27 | C29 | 0.2° | 0.0° |
| C24 | C25 | C27 | H26 | 179.8° | 180.0° |
| C26 | C24 | C25 | N4 | 179.9° | 179.9° |
| C26 | C24 | C25 | C27 | 0.1° | 0.1° |
| C24 | C26 | C28 | H25 | 180.0° | 179.9° |
| C24 | C26 | C28 | C29 | 0.0° | 0.0° |
| C24 | C26 | C28 | H27 | 180.0° | 180.0° |
| N4 | C25 | C27 | C29 | 179.9° | 179.8° |
| N4 | C25 | C27 | H26 | 0.1° | 0.2° |
| H24 | N4 | C25 | C27 | 0.2° | 0.0° |
| C25 | C27 | C29 | H26 | 180.0° | 180.0° |
| C25 | C27 | C29 | C28 | 0.1° | 0.1° |
| C25 | C27 | C29 | H28 | 179.9° | 180.0° |
| C26 | C28 | C29 | C27 | 0.0° | 0.1° |
| C26 | C28 | C29 | H27 | 180.0° | 180.0° |
| C26 | C28 | C29 | H28 | 179.9° | 180.0° |
| H25 | C26 | C28 | C29 | 180.0° | 179.9° |
| H25 | C26 | C28 | H27 | 0.0° | 0.1° |
| C27 | C29 | C28 | H28 | 180.0° | 179.9° |
| C27 | C29 | C28 | H27 | 180.0° | 180.0° |
| H26 | C27 | C29 | C28 | 179.9° | 179.9° |
| H26 | C27 | C29 | H28 | 0.1° | 0.0° |
| H27 | C28 | C29 | H28 | 0.0° | 0.0° |
| C30 | N5 | H29 | C20 | 180.0° | 180.0° |
| N5 | C30 | C31 | H30 | 120.5° | 119.8° |
| N5 | C30 | C31 | H31 | 120.5° | 119.9° |
| N5 | C30 | H30 | H31 | 118.4° | 120.3° |
| N5 | C30 | C31 | O5 | 142.7° | 9.7° |
| N5 | C30 | C31 | N6 | 37.1° | 170.3° |
| H29 | N5 | C30 | C31 | 132.7° | 26.8° |
| H29 | N5 | C30 | H30 | 12.1° | 146.7° |
| H29 | N5 | C30 | H31 | 106.8° | 93.0° |
| C31 | C30 | H30 | H31 | 118.5° | 120.2° |
| C30 | C31 | O5 | N6 | 179.8° | 180.0° |
| C30 | C31 | N6 | C32 | 178.0° | 179.9° |
| C30 | C31 | N6 | H32 | 2.0° | 0.1° |
| C31 | C30 | N5 | C20 | 47.3° | 153.1° |
| H30 | C30 | C31 | O5 | 96.8° | 129.5° |
| H30 | C30 | N5 | C20 | 167.9° | 33.3° |
| H30 | C30 | C31 | N6 | 83.4° | 50.4° |
| H31 | C30 | C31 | O5 | 22.1° | 110.2° |
| H31 | C30 | N5 | C20 | 73.2° | 87.0° |
| H31 | C30 | C31 | N6 | 157.6° | 69.9° |
| O5 | C31 | N6 | C32 | 1.8° | 0.0° |
| O5 | C31 | N6 | H32 | 178.3° | 180.0° |
| C32 | N6 | H32 | C31 | 180.0° | 180.0° |
| N6 | C32 | C33 | C34 | 123.8° | 119.8° |
| N6 | C32 | C33 | H33 | 118.0° | 119.8° |
| N6 | C32 | C34 | H33 | 120.1° | 120.4° |
| N6 | C32 | C33 | O6 | 81.5° | 8.0° |
| N6 | C32 | C34 | C35 | 89.0° | 52.7° |
| N6 | C32 | C34 | H34 | 31.6° | 172.7° |
| N6 | C32 | C34 | H35 | 150.4° | 67.3° |
| N6 | C32 | C33 | N8 | 97.5° | 172.0° |
| H32 | N6 | C32 | C33 | 41.0° | 26.3° |
| H32 | N6 | C32 | C34 | 81.6° | 146.0° |
| H32 | N6 | C32 | H33 | 158.6° | 93.5° |
| C33 | C32 | C34 | H33 | 118.2° | 120.4° |
| C32 | C33 | O6 | N8 | 178.9° | 179.9° |
| C33 | C32 | C34 | C35 | 149.3° | 66.6° |
| C33 | C32 | C34 | H34 | 90.1° | 53.4° |
| C33 | C32 | C34 | H35 | 28.7° | 173.5° |
| C32 | C33 | N8 | C36 | 160.5° | 179.9° |
| C32 | C33 | N8 | H38 | 19.5° | 0.0° |
| C33 | C32 | N6 | C31 | 139.0° | 153.7° |
| C34 | C32 | C33 | O6 | 42.3° | 127.8° |
| C32 | C34 | C35 | H34 | 120.6° | 120.0° |
| C32 | C34 | C35 | H35 | 120.6° | 120.0° |
| C32 | C34 | H34 | H35 | 118.1° | 120.1° |
| C32 | C34 | C35 | O7 | 107.8° | 5.0° |
| C32 | C34 | C35 | N7 | 72.4° | 175.1° |
| C34 | C32 | N6 | C31 | 98.4° | 34.0° |
| C34 | C32 | C33 | N8 | 138.7° | 52.3° |
| H33 | C32 | C33 | O6 | 160.5° | 111.8° |
| H33 | C32 | C34 | C35 | 31.1° | 173.1° |
| H33 | C32 | C34 | H34 | 151.7° | 66.9° |
| H33 | C32 | C34 | H35 | 89.5° | 53.1° |
| H33 | C32 | N6 | C31 | 21.4° | 86.5° |
| H33 | C32 | C33 | N8 | 20.5° | 68.2° |
| O6 | C33 | N8 | C36 | 20.6° | 0.1° |
| O6 | C33 | N8 | H38 | 159.4° | 179.9° |
| C35 | C34 | H34 | H35 | 118.1° | 119.9° |
| C34 | C35 | O7 | N7 | 179.7° | 179.9° |
| C34 | C35 | N7 | H36 | 179.7° | 0.0° |
| C34 | C35 | N7 | H37 | 0.3° | 180.0° |
| H34 | C34 | C35 | O7 | 131.5° | 115.0° |
| H34 | C34 | C35 | N7 | 48.2° | 64.9° |
| H35 | C34 | C35 | O7 | 12.8° | 125.0° |
| H35 | C34 | C35 | N7 | 167.0° | 55.1° |
| O7 | C35 | N7 | H36 | 0.0° | 179.9° |
| O7 | C35 | N7 | H37 | 180.0° | 0.1° |
| C35 | N7 | H36 | H37 | 180.0° | 180.0° |
| C36 | N8 | H38 | C33 | 180.0° | 179.9° |
| N8 | C36 | C37 | C38 | 121.2° | 119.8° |
| N8 | C36 | C37 | H39 | 118.1° | 119.8° |
| N8 | C36 | C38 | H39 | 119.0° | 120.3° |
| N8 | C36 | C37 | O8 | 136.1° | 8.7° |
| N8 | C36 | C38 | C39 | 148.0° | 174.3° |
| N8 | C36 | C38 | H40 | 27.0° | 54.3° |
| N8 | C36 | C38 | H41 | 91.0° | 65.6° |
| N8 | C36 | C37 | N9 | 42.5° | 171.3° |
| H38 | N8 | C36 | C37 | 77.5° | 25.5° |
| H38 | N8 | C36 | C38 | 46.4° | 94.3° |
| H38 | N8 | C36 | H39 | 164.9° | 145.4° |
| C37 | C36 | C38 | H39 | 120.7° | 120.3° |
| C36 | C37 | O8 | N9 | 178.5° | 180.0° |
| C37 | C36 | C38 | C39 | 91.6° | 66.2° |
| C37 | C36 | C38 | H40 | 147.4° | 173.8° |
| C37 | C36 | C38 | H41 | 29.4° | 53.8° |
| C36 | C37 | N9 | C42 | 166.7° | 179.9° |
| C36 | C37 | N9 | H49 | 13.3° | 0.2° |
| C37 | C36 | N8 | C33 | 102.5° | 154.4° |
| C38 | C36 | C37 | O8 | 14.8° | 111.2° |
| C36 | C38 | C39 | H40 | 121.0° | 120.0° |
| C36 | C38 | C39 | H41 | 121.0° | 120.0° |
| C36 | C38 | H40 | H41 | 117.0° | 119.9° |
| C36 | C38 | C39 | C40 | 68.5° | 62.4° |
| C36 | C38 | C39 | C41 | 168.5° | 177.6° |
| C36 | C38 | C39 | H42 | 50.1° | 57.6° |
| C38 | C36 | N8 | C33 | 133.6° | 85.8° |
| C38 | C36 | C37 | N9 | 163.8° | 68.8° |
| H39 | C36 | C37 | O8 | 105.9° | 128.5° |
| H39 | C36 | C38 | C39 | 29.1° | 54.1° |
| H39 | C36 | C38 | H40 | 91.9° | 66.0° |
| H39 | C36 | C38 | H41 | 150.0° | 174.1° |
| H39 | C36 | N8 | C33 | 15.1° | 34.6° |
| H39 | C36 | C37 | N9 | 75.5° | 51.5° |
| O8 | C37 | N9 | C42 | 14.8° | 0.1° |
| O8 | C37 | N9 | H49 | 165.2° | 179.8° |
| C39 | C38 | H40 | H41 | 117.0° | 120.0° |
| C38 | C39 | C40 | C41 | 123.5° | 120.0° |
| C38 | C39 | C40 | H42 | 118.5° | 120.0° |
| C38 | C39 | C41 | H42 | 118.3° | 120.0° |
| C38 | C39 | C40 | H43 | 180.0° | 175.4° |
| C38 | C39 | C40 | H44 | 60.0° | 55.4° |
| C38 | C39 | C40 | H45 | 60.0° | 64.6° |
| C38 | C39 | C41 | H46 | 180.0° | 60.0° |
| C38 | C39 | C41 | H47 | 60.0° | 180.0° |
| C38 | C39 | C41 | H48 | 60.0° | 60.0° |
| H40 | C38 | C39 | C40 | 52.5° | 57.6° |
| H40 | C38 | C39 | C41 | 70.5° | 62.4° |
| H40 | C38 | C39 | H42 | 171.1° | 177.6° |
| H41 | C38 | C39 | C40 | 170.5° | 177.6° |
| H41 | C38 | C39 | C41 | 47.5° | 57.7° |
| H41 | C38 | C39 | H42 | 70.9° | 62.3° |
| C40 | C39 | C41 | H42 | 117.9° | 120.0° |
| C39 | C40 | H43 | H44 | 120.0° | 120.0° |
| C39 | C40 | H43 | H45 | 120.0° | 120.0° |
| C39 | C40 | H44 | H45 | 120.0° | 120.0° |
| C40 | C39 | C41 | H46 | 56.2° | 180.0° |
| C40 | C39 | C41 | H47 | 63.8° | 60.0° |
| C40 | C39 | C41 | H48 | 176.2° | 60.0° |
| C41 | C39 | C40 | H43 | 56.6° | 64.7° |
| C41 | C39 | C40 | H44 | 176.5° | 175.4° |
| C41 | C39 | C40 | H45 | 63.5° | 55.4° |
| C39 | C41 | H46 | H47 | 120.0° | 120.0° |
| C39 | C41 | H46 | H48 | 120.0° | 120.0° |
| C39 | C41 | H47 | H48 | 120.0° | 120.0° |
| H42 | C39 | C40 | H43 | 61.4° | 55.4° |
| H42 | C39 | C40 | H44 | 58.5° | 64.6° |
| H42 | C39 | C40 | H45 | 178.5° | 175.4° |
| H42 | C39 | C41 | H46 | 61.8° | 60.0° |
| H42 | C39 | C41 | H47 | 178.2° | 60.0° |
| H42 | C39 | C41 | H48 | 58.2° | 180.0° |
| H43 | C40 | H44 | H45 | 120.0° | 120.0° |
| H46 | C41 | H47 | H48 | 120.0° | 120.0° |
| C42 | N9 | H49 | C37 | 180.0° | 180.0° |
| N9 | C42 | C43 | C44 | 121.9° | 119.8° |
| N9 | C42 | C43 | H50 | 119.2° | 119.8° |
| N9 | C42 | C44 | H50 | 121.4° | 120.3° |
| N9 | C42 | C43 | O9 | 53.5° | 9.1° |
| N9 | C42 | C44 | C45 | 80.4° | 55.3° |
| N9 | C42 | C44 | H51 | 40.4° | 175.3° |
| N9 | C42 | C44 | H52 | 158.8° | 64.7° |
| N9 | C42 | C43 | N12 | 126.9° | 170.9° |
| H49 | N9 | C42 | C43 | 94.7° | 25.6° |
| H49 | N9 | C42 | C44 | 25.4° | 145.4° |
| H49 | N9 | C42 | H50 | 146.4° | 94.2° |
| C43 | C42 | C44 | H50 | 118.9° | 120.3° |
| C42 | C43 | O9 | N12 | 179.5° | 180.0° |
| C43 | C42 | C44 | C45 | 159.9° | 64.0° |
| C43 | C42 | C44 | H51 | 79.3° | 56.0° |
| C43 | C42 | C44 | H52 | 39.1° | 176.0° |
| C42 | C43 | N12 | C48 | 175.7° | 179.9° |
| C42 | C43 | N12 | H57 | 4.3° | 0.0° |
| C43 | C42 | N9 | C37 | 85.3° | 154.3° |
| C44 | C42 | C43 | O9 | 68.4° | 128.9° |
| C42 | C44 | C45 | H51 | 120.8° | 120.0° |
| C42 | C44 | C45 | H52 | 120.8° | 120.0° |
| C42 | C44 | H51 | H52 | 117.6° | 120.0° |
| C42 | C44 | C45 | N10 | 63.7° | 92.5° |
| C42 | C44 | C45 | C46 | 118.3° | 87.8° |
| C44 | C42 | N9 | C37 | 154.6° | 34.5° |
| C44 | C42 | C43 | N12 | 111.2° | 51.1° |
| H50 | C42 | C43 | O9 | 172.8° | 110.7° |
| H50 | C42 | C44 | C45 | 41.0° | 175.6° |
| H50 | C42 | C44 | H51 | 161.8° | 64.3° |
| H50 | C42 | C44 | H52 | 79.8° | 55.7° |
| H50 | C42 | N9 | C37 | 33.6° | 85.8° |
| H50 | C42 | C43 | N12 | 7.7° | 69.3° |
| O9 | C43 | N12 | C48 | 3.9° | 0.1° |
| O9 | C43 | N12 | H57 | 176.2° | 180.0° |
| C45 | C44 | H51 | H52 | 117.6° | 120.0° |
| C44 | C45 | N10 | C46 | 178.4° | 179.7° |
| C44 | C45 | N10 | C47 | 179.3° | 180.0° |
| C44 | C45 | N10 | H53 | 0.7° | 0.0° |
| C44 | C45 | C46 | N11 | 179.1° | 180.0° |
| C44 | C45 | C46 | H54 | 0.9° | 0.0° |
| H51 | C44 | C45 | N10 | 175.5° | 27.5° |
| H51 | C44 | C45 | C46 | 2.5° | 152.2° |
| H52 | C44 | C45 | N10 | 57.1° | 147.6° |
| H52 | C44 | C45 | C46 | 120.9° | 32.1° |
| C45 | N10 | C47 | H53 | 180.0° | 180.0° |
| N10 | C45 | C46 | N11 | 0.9° | 0.2° |
| N10 | C45 | C46 | H54 | 179.2° | 179.7° |
| C45 | N10 | C47 | N11 | 0.5° | 0.2° |
| C45 | N10 | C47 | H55 | 179.5° | 180.0° |
| C46 | C45 | N10 | C47 | 0.8° | 0.3° |
| C46 | C45 | N10 | H53 | 179.2° | 179.8° |
| C45 | C46 | N11 | H54 | 180.0° | 179.9° |
| C45 | C46 | N11 | C47 | 0.6° | 0.1° |
| C45 | C46 | N11 | H56 | 179.4° | 180.0° |
| N10 | C47 | N11 | C46 | 0.1° | 0.1° |
| N10 | C47 | N11 | H55 | 180.0° | 179.8° |
| N10 | C47 | N11 | H56 | 179.9° | 179.9° |
| H53 | N10 | C47 | N11 | 179.5° | 179.8° |
| H53 | N10 | C47 | H55 | 0.5° | 0.1° |
| C46 | N11 | C47 | H56 | 180.0° | 179.9° |
| C46 | N11 | C47 | H55 | 179.9° | 179.8° |
| H54 | C46 | N11 | C47 | 179.4° | 179.8° |
| H54 | C46 | N11 | H56 | 0.6° | 0.1° |
| H55 | C47 | N11 | H56 | 0.1° | 0.1° |
| C48 | N12 | H57 | C43 | 180.0° | 179.9° |
| N12 | C48 | C49 | C50 | 124.2° | 119.8° |
| N12 | C48 | C49 | H58 | 117.7° | 119.8° |
| N12 | C48 | C50 | H58 | 119.4° | 120.3° |
| N12 | C48 | C49 | O10 | 61.2° | 8.7° |
| N12 | C48 | C50 | C51 | 170.3° | 65.0° |
| N12 | C48 | C50 | H59 | 50.0° | 55.0° |
| N12 | C48 | C50 | H60 | 69.4° | 175.0° |
| N12 | C48 | C49 | N14 | 118.7° | 171.3° |
| H57 | N12 | C48 | C49 | 103.7° | 25.4° |
| H57 | N12 | C48 | C50 | 19.8° | 94.4° |
| H57 | N12 | C48 | H58 | 138.9° | 145.2° |
| C49 | C48 | C50 | H58 | 118.1° | 120.3° |
| C48 | C49 | O10 | N14 | 179.9° | 180.0° |
| C49 | C48 | C50 | C51 | 67.3° | 175.5° |
| C49 | C48 | C50 | H59 | 172.4° | 64.4° |
| C49 | C48 | C50 | H60 | 53.0° | 55.6° |
| C48 | C49 | N14 | C59 | 176.3° | 179.9° |
| C48 | C49 | N14 | H67 | 3.7° | 0.0° |
| C49 | C48 | N12 | C43 | 76.2° | 154.7° |
| C50 | C48 | C49 | O10 | 63.0° | 111.1° |
| C48 | C50 | C51 | H59 | 120.3° | 120.0° |
| C48 | C50 | C51 | H60 | 120.3° | 120.0° |
| C48 | C50 | H59 | H60 | 119.1° | 120.0° |
| C48 | C50 | C51 | C52 | 110.8° | 95.0° |
| C48 | C50 | C51 | C53 | 65.5° | 84.7° |
| C50 | C48 | N12 | C43 | 160.2° | 85.5° |
| C50 | C48 | C49 | N14 | 117.1° | 68.9° |
| H58 | C48 | C49 | O10 | 178.8° | 128.5° |
| H58 | C48 | C50 | C51 | 50.9° | 55.3° |
| H58 | C48 | C50 | H59 | 69.4° | 175.3° |
| H58 | C48 | C50 | H60 | 171.2° | 64.7° |
| H58 | C48 | N12 | C43 | 41.1° | 34.9° |
| H58 | C48 | C49 | N14 | 1.0° | 51.5° |
| O10 | C49 | N14 | C59 | 3.9° | 0.1° |
| O10 | C49 | N14 | H67 | 176.1° | 180.0° |
| C51 | C50 | H59 | H60 | 119.0° | 120.0° |
| C50 | C51 | C52 | C53 | 176.9° | 179.8° |
| C50 | C51 | C52 | N13 | 178.3° | 180.0° |
| C50 | C51 | C52 | H61 | 1.7° | 0.1° |
| C50 | C51 | C53 | C54 | 178.3° | 180.0° |
| C50 | C51 | C53 | C55 | 2.6° | 0.0° |
| H59 | C50 | C51 | C52 | 128.9° | 145.0° |
| H59 | C50 | C51 | C53 | 54.8° | 35.3° |
| H60 | C50 | C51 | C52 | 9.5° | 25.0° |
| H60 | C50 | C51 | C53 | 174.1° | 155.3° |
| C51 | C52 | N13 | H61 | 180.0° | 179.9° |
| C52 | C51 | C53 | C54 | 1.3° | 0.3° |
| C52 | C51 | C53 | C55 | 179.6° | 179.8° |
| C51 | C52 | N13 | C54 | 0.9° | 0.2° |
| C51 | C52 | N13 | H62 | 179.1° | 180.0° |
| C53 | C51 | C52 | N13 | 1.4° | 0.3° |
| C53 | C51 | C52 | H61 | 178.6° | 179.8° |
| C51 | C53 | C54 | C55 | 179.3° | 180.0° |
| C51 | C53 | C54 | N13 | 0.8° | 0.2° |
| C51 | C53 | C54 | C56 | 179.1° | 180.0° |
| C51 | C53 | C55 | C57 | 178.9° | 180.0° |
| C51 | C53 | C55 | H63 | 1.0° | 0.0° |
| C52 | N13 | C54 | C53 | 0.0° | 0.0° |
| C52 | N13 | C54 | H62 | 180.0° | 179.8° |
| C52 | N13 | C54 | C56 | 179.9° | 179.8° |
| H61 | C52 | N13 | C54 | 179.1° | 179.9° |
| H61 | C52 | N13 | H62 | 0.9° | 0.1° |
| C53 | C54 | N13 | C56 | 179.9° | 179.7° |
| C53 | C54 | N13 | H62 | 180.0° | 179.8° |
| C54 | C53 | C55 | C57 | 0.1° | 0.0° |
| C54 | C53 | C55 | H63 | 180.0° | 180.0° |
| C53 | C54 | C56 | C58 | 0.2° | 0.0° |
| C53 | C54 | C56 | H64 | 179.8° | 180.0° |
| C55 | C53 | C54 | N13 | 179.9° | 179.9° |
| C55 | C53 | C54 | C56 | 0.2° | 0.1° |
| C53 | C55 | C57 | H63 | 180.0° | 180.0° |
| C53 | C55 | C57 | C58 | 0.0° | 0.1° |
| C53 | C55 | C57 | H65 | 179.9° | 180.0° |
| N13 | C54 | C56 | C58 | 180.0° | 179.8° |
| N13 | C54 | C56 | H64 | 0.0° | 0.3° |
| H62 | N13 | C54 | C56 | 0.1° | 0.1° |
| C54 | C56 | C58 | H64 | 180.0° | 179.9° |
| C54 | C56 | C58 | C57 | 0.1° | 0.0° |
| C54 | C56 | C58 | H66 | 179.9° | 180.0° |
| C55 | C57 | C58 | C56 | 0.0° | 0.1° |
| C55 | C57 | C58 | H65 | 180.0° | 179.9° |
| C55 | C57 | C58 | H66 | 180.0° | 180.0° |
| H63 | C55 | C57 | C58 | 179.9° | 179.9° |
| H63 | C55 | C57 | H65 | 0.1° | 0.0° |
| C56 | C58 | C57 | H66 | 180.0° | 179.9° |
| C56 | C58 | C57 | H65 | 180.0° | 180.0° |
| H64 | C56 | C58 | C57 | 179.9° | 179.9° |
| H64 | C56 | C58 | H66 | 0.1° | 0.0° |
| H65 | C57 | C58 | H66 | 0.0° | 0.1° |
| C59 | N14 | H67 | C49 | 180.0° | 179.9° |
| N14 | C59 | C60 | C61 | 122.1° | 119.8° |
| N14 | C59 | C60 | H68 | 118.6° | 119.8° |
| N14 | C59 | C61 | H68 | 119.2° | 120.3° |
| N14 | C59 | C60 | O11 | 71.7° | 8.7° |
| N14 | C59 | C61 | C62 | 62.6° | 177.5° |
| N14 | C59 | C61 | H69 | 58.1° | 62.5° |
| N14 | C59 | C61 | H70 | 176.6° | 57.5° |
| N14 | C59 | C60 | N15 | 108.4° | 171.3° |
| H67 | N14 | C59 | C60 | 71.1° | 25.8° |
| H67 | N14 | C59 | C61 | 51.8° | 145.5° |
| H67 | N14 | C59 | H68 | 170.7° | 94.1° |
| C60 | C59 | C61 | H68 | 119.4° | 120.4° |
| C59 | C60 | O11 | N15 | 179.8° | 179.9° |
| C60 | C59 | C61 | C62 | 175.9° | 58.2° |
| C60 | C59 | C61 | H69 | 63.3° | 178.2° |
| C60 | C59 | C61 | H70 | 55.2° | 61.8° |
| C59 | C60 | N15 | C68 | 169.1° | 179.9° |
| C59 | C60 | N15 | H76 | 10.9° | 0.2° |
| C60 | C59 | N14 | C49 | 108.9° | 154.3° |
| C61 | C59 | C60 | O11 | 50.3° | 128.5° |
| C59 | C61 | C62 | H69 | 120.7° | 120.0° |
| C59 | C61 | C62 | H70 | 120.7° | 120.0° |
| C59 | C61 | H69 | H70 | 117.8° | 120.0° |
| C59 | C61 | C62 | C63 | 57.0° | 62.9° |
| C59 | C61 | C62 | C64 | 123.2° | 117.3° |
| C61 | C59 | N14 | C49 | 128.1° | 34.5° |
| C61 | C59 | C60 | N15 | 129.5° | 51.5° |
| H68 | C59 | C60 | O11 | 169.7° | 111.1° |
| H68 | C59 | C61 | C62 | 56.6° | 62.2° |
| H68 | C59 | C61 | H69 | 177.3° | 57.8° |
| H68 | C59 | C61 | H70 | 64.1° | 177.9° |
| H68 | C59 | N14 | C49 | 9.3° | 85.9° |
| H68 | C59 | C60 | N15 | 10.1° | 68.9° |
| O11 | C60 | N15 | C68 | 10.7° | 0.1° |
| O11 | C60 | N15 | H76 | 169.3° | 179.9° |
| C62 | C61 | H69 | H70 | 117.8° | 119.9° |
| C61 | C62 | C63 | C64 | 179.8° | 179.8° |
| C61 | C62 | C63 | C65 | 179.7° | 180.0° |
| C61 | C62 | C63 | H71 | 0.3° | 0.0° |
| C61 | C62 | C64 | C66 | 179.8° | 180.0° |
| C61 | C62 | C64 | H72 | 0.2° | 0.1° |
| H69 | C61 | C62 | C63 | 177.7° | 57.2° |
| H69 | C61 | C62 | C64 | 2.4° | 122.6° |
| H70 | C61 | C62 | C63 | 63.7° | 177.1° |
| H70 | C61 | C62 | C64 | 116.1° | 2.7° |
| C62 | C63 | C65 | H71 | 180.0° | 180.0° |
| C63 | C62 | C64 | C66 | 0.3° | 0.2° |
| C63 | C62 | C64 | H72 | 179.7° | 179.7° |
| C62 | C63 | C65 | C67 | 0.3° | 0.1° |
| C62 | C63 | C65 | H73 | 179.7° | 180.0° |
| C64 | C62 | C63 | C65 | 0.4° | 0.2° |
| C64 | C62 | C63 | H71 | 179.6° | 179.8° |
| C62 | C64 | C66 | H72 | 180.0° | 179.9° |
| C62 | C64 | C66 | C67 | 0.1° | 0.1° |
| C62 | C64 | C66 | H74 | 179.9° | 179.9° |
| C63 | C65 | C67 | H73 | 180.0° | 179.9° |
| C63 | C65 | C67 | C66 | 0.1° | 0.4° |
| C63 | C65 | C67 | O12 | 179.8° | 180.0° |
| H71 | C63 | C65 | C67 | 179.7° | 179.9° |
| H71 | C63 | C65 | H73 | 0.3° | 0.0° |
| C64 | C66 | C67 | C65 | 0.0° | 0.4° |
| C64 | C66 | C67 | H74 | 180.0° | 179.9° |
| C64 | C66 | C67 | O12 | 179.9° | 179.9° |
| H72 | C64 | C66 | C67 | 179.9° | 180.0° |
| H72 | C64 | C66 | H74 | 0.1° | 0.0° |
| C65 | C67 | C66 | O12 | 179.9° | 179.7° |
| C65 | C67 | C66 | H74 | 180.0° | 179.7° |
| C65 | C67 | O12 | H75 | 155.4° | 90.0° |
| H73 | C65 | C67 | C66 | 179.9° | 179.7° |
| H73 | C65 | C67 | O12 | 0.2° | 0.0° |
| C66 | C67 | O12 | H75 | 24.7° | 89.7° |
| H74 | C66 | C67 | O12 | 0.1° | 0.0° |
| C68 | N15 | H76 | C60 | 180.0° | 179.9° |
| N15 | C68 | C69 | C70 | 122.8° | 119.8° |
| N15 | C68 | C69 | H77 | 118.7° | 119.8° |
| N15 | C68 | C70 | H77 | 119.4° | 120.2° |
| N15 | C68 | C69 | O13 | 161.0° | 8.3° |
| N15 | C68 | C70 | C71 | 72.3° | 65.0° |
| N15 | C68 | C70 | H78 | 48.5° | 55.0° |
| N15 | C68 | C70 | H79 | 166.9° | 175.0° |
| N15 | C68 | C69 | N16 | 19.3° | 171.6° |
| H76 | N15 | C68 | C69 | 115.5° | 26.4° |
| H76 | N15 | C68 | C70 | 7.1° | 93.5° |
| H76 | N15 | C68 | H77 | 126.2° | 146.2° |
| C69 | C68 | C70 | H77 | 118.5° | 120.3° |
| C68 | C69 | O13 | N16 | 179.7° | 179.9° |
| C69 | C68 | C70 | C71 | 165.6° | 175.5° |
| C69 | C68 | C70 | H78 | 73.6° | 64.4° |
| C69 | C68 | C70 | H79 | 44.8° | 55.6° |
| C68 | C69 | N16 | C77 | 174.9° | 179.9° |
| C68 | C69 | N16 | H85 | 5.1° | 0.2° |
| C69 | C68 | N15 | C60 | 64.5° | 153.6° |
| C70 | C68 | C69 | O13 | 76.2° | 111.5° |
| C68 | C70 | C71 | H78 | 120.8° | 120.0° |
| C68 | C70 | C71 | H79 | 120.8° | 119.9° |
| C68 | C70 | H78 | H79 | 117.5° | 120.0° |
| C68 | C70 | C71 | C72 | 59.9° | 90.0° |
| C68 | C70 | C71 | C73 | 121.6° | 90.2° |
| C70 | C68 | N15 | C60 | 172.9° | 86.6° |
| C70 | C68 | C69 | N16 | 103.5° | 68.6° |
| H77 | C68 | C69 | O13 | 42.3° | 128.1° |
| H77 | C68 | C70 | C71 | 47.1° | 55.2° |
| H77 | C68 | C70 | H78 | 168.0° | 175.3° |
| H77 | C68 | C70 | H79 | 73.7° | 64.7° |
| H77 | C68 | N15 | C60 | 53.8° | 33.8° |
| H77 | C68 | C69 | N16 | 138.0° | 51.8° |
| O13 | C69 | N16 | C77 | 5.4° | 0.0° |
| O13 | C69 | N16 | H85 | 174.6° | 179.9° |
| C71 | C70 | H78 | H79 | 117.4° | 120.0° |
| C70 | C71 | C72 | C73 | 178.6° | 179.8° |
| C70 | C71 | C72 | C74 | 179.5° | 180.0° |
| C70 | C71 | C72 | H80 | 0.5° | 0.0° |
| C70 | C71 | C73 | C75 | 179.4° | 180.0° |
| C70 | C71 | C73 | H81 | 0.6° | 0.1° |
| H78 | C70 | C71 | C72 | 179.3° | 30.0° |
| H78 | C70 | C71 | C73 | 0.7° | 149.8° |
| H79 | C70 | C71 | C72 | 61.0° | 150.0° |
| H79 | C70 | C71 | C73 | 117.6° | 29.7° |
| C71 | C72 | C74 | H80 | 180.0° | 179.9° |
| C72 | C71 | C73 | C75 | 0.8° | 0.2° |
| C72 | C71 | C73 | H81 | 179.2° | 179.7° |
| C71 | C72 | C74 | C76 | 0.3° | 0.0° |
| C71 | C72 | C74 | H82 | 179.7° | 180.0° |
| C73 | C71 | C72 | C74 | 0.8° | 0.3° |
| C73 | C71 | C72 | H80 | 179.2° | 179.8° |
| C71 | C73 | C75 | H81 | 180.0° | 179.9° |
| C71 | C73 | C75 | C76 | 0.2° | 0.1° |
| C71 | C73 | C75 | H83 | 179.8° | 179.9° |
| C72 | C74 | C76 | H82 | 180.0° | 180.0° |
| C72 | C74 | C76 | C75 | 0.3° | 0.3° |
| C72 | C74 | C76 | O14 | 179.8° | 180.0° |
| H80 | C72 | C74 | C76 | 179.7° | 179.9° |
| H80 | C72 | C74 | H82 | 0.3° | 0.1° |
| C73 | C75 | C76 | C74 | 0.3° | 0.3° |
| C73 | C75 | C76 | H83 | 180.0° | 180.0° |
| C73 | C75 | C76 | O14 | 179.9° | 180.0° |
| H81 | C73 | C75 | C76 | 179.8° | 180.0° |
| H81 | C73 | C75 | H83 | 0.2° | 0.0° |
| C74 | C76 | C75 | O14 | 179.5° | 179.7° |
| C74 | C76 | C75 | H83 | 179.7° | 179.6° |
| C74 | C76 | O14 | H84 | 180.0° | 90.0° |
| H82 | C74 | C76 | C75 | 179.7° | 179.7° |
| H82 | C74 | C76 | O14 | 0.2° | 0.0° |
| C75 | C76 | O14 | H84 | 0.5° | 89.7° |
| H83 | C75 | C76 | O14 | 0.1° | 0.1° |
| C77 | N16 | H85 | C69 | 180.0° | 179.9° |
| N16 | C77 | C78 | C79 | 122.3° | 119.8° |
| N16 | C77 | C78 | H86 | 119.2° | 119.7° |
| N16 | C77 | C79 | H86 | 119.8° | 120.4° |
| N16 | C77 | C78 | O15 | 23.8° | 7.9° |
| N16 | C77 | C79 | C80 | 64.7° | 53.5° |
| N16 | C77 | C79 | H87 | 56.0° | 173.5° |
| N16 | C77 | C79 | H88 | 174.7° | 66.5° |
| N16 | C77 | C78 | N17 | 156.0° | 172.1° |
| H85 | N16 | C77 | C78 | 110.1° | 26.6° |
| H85 | N16 | C77 | C79 | 11.5° | 146.4° |
| H85 | N16 | C77 | H86 | 131.0° | 93.2° |
| C78 | C77 | C79 | H86 | 118.5° | 120.4° |
| C77 | C78 | O15 | N17 | 179.8° | 180.0° |
| C78 | C77 | C79 | C80 | 173.6° | 65.8° |
| C78 | C77 | C79 | H87 | 65.7° | 54.2° |
| C78 | C77 | C79 | H88 | 52.9° | 174.2° |
| C77 | C78 | N17 | C82 | 170.0° | 179.9° |
| C77 | C78 | N17 | H92 | 10.0° | 0.0° |
| C78 | C77 | N16 | C69 | 69.9° | 153.5° |
| C79 | C77 | C78 | O15 | 98.4° | 127.7° |
| C77 | C79 | C80 | H87 | 120.7° | 120.0° |
| C77 | C79 | C80 | H88 | 120.7° | 120.0° |
| C77 | C79 | H87 | H88 | 117.9° | 120.0° |
| C77 | C79 | C80 | C81 | 89.0° | 174.9° |
| C77 | C79 | C80 | H89 | 150.0° | 65.2° |
| C77 | C79 | C80 | H90 | 32.0° | 54.9° |
| C79 | C77 | N16 | C69 | 168.5° | 33.7° |
| C79 | C77 | C78 | N17 | 81.8° | 52.3° |
| H86 | C77 | C78 | O15 | 143.1° | 111.9° |
| H86 | C77 | C79 | C80 | 55.1° | 173.9° |
| H86 | C77 | C79 | H87 | 175.8° | 66.2° |
| H86 | C77 | C79 | H88 | 65.5° | 53.9° |
| H86 | C77 | N16 | C69 | 49.0° | 86.8° |
| H86 | C77 | C78 | N17 | 36.7° | 68.2° |
| O15 | C78 | N17 | C82 | 10.2° | 0.2° |
| O15 | C78 | N17 | H92 | 169.8° | 180.0° |
| C80 | C79 | H87 | H88 | 117.8° | 120.0° |
| C79 | C80 | C81 | H89 | 121.0° | 120.0° |
| C79 | C80 | C81 | H90 | 121.0° | 120.0° |
| C79 | C80 | H89 | H90 | 116.8° | 120.1° |
| C79 | C80 | C81 | O16 | 25.6° | 0.0° |
| C79 | C80 | C81 | O17 | 154.9° | 180.0° |
| H87 | C79 | C80 | C81 | 31.7° | 54.9° |
| H87 | C79 | C80 | H89 | 89.3° | 174.8° |
| H87 | C79 | C80 | H90 | 152.7° | 65.1° |
| H88 | C79 | C80 | C81 | 150.3° | 65.1° |
| H88 | C79 | C80 | H89 | 29.3° | 54.8° |
| H88 | C79 | C80 | H90 | 88.7° | 174.9° |
| C81 | C80 | H89 | H90 | 116.8° | 120.0° |
| C80 | C81 | O16 | O17 | 179.4° | 180.0° |
| C80 | C81 | O17 | H91 | 179.4° | 180.0° |
| H89 | C80 | C81 | O16 | 146.6° | 120.0° |
| H89 | C80 | C81 | O17 | 33.9° | 60.0° |
| H90 | C80 | C81 | O16 | 95.4° | 120.0° |
| H90 | C80 | C81 | O17 | 84.1° | 60.0° |
| O16 | C81 | O17 | H91 | 0.0° | 0.0° |
| C82 | N17 | H92 | C78 | 180.0° | 179.9° |
| N17 | C82 | C83 | C84 | 120.4° | 119.9° |
| N17 | C82 | C83 | H93 | 119.6° | 119.9° |
| N17 | C82 | C84 | H93 | 122.1° | 120.3° |
| N17 | C82 | C83 | O18 | 88.1° | 7.1° |
| N17 | C82 | C84 | C85 | 76.3° | 65.0° |
| N17 | C82 | C84 | H94 | 44.3° | 55.0° |
| N17 | C82 | C84 | H95 | 163.0° | 175.0° |
| N17 | C82 | C83 | N19 | 89.7° | 172.9° |
| H92 | N17 | C82 | C83 | 72.8° | 24.9° |
| H92 | N17 | C82 | C84 | 46.3° | 95.0° |
| H92 | N17 | C82 | H93 | 168.0° | 144.7° |
| C83 | C82 | C84 | H93 | 120.0° | 120.2° |
| C82 | C83 | O18 | N19 | 177.6° | 180.0° |
| C83 | C82 | C84 | C85 | 165.7° | 175.4° |
| C83 | C82 | C84 | H94 | 73.6° | 64.6° |
| C83 | C82 | C84 | H95 | 45.1° | 55.5° |
| C82 | C83 | N19 | C87 | 175.2° | 179.7° |
| C82 | C83 | N19 | H100 | 4.8° | 0.2° |
| C83 | C82 | N17 | C78 | 107.2° | 155.2° |
| C84 | C82 | C83 | O18 | 32.4° | 112.8° |
| C82 | C84 | C85 | H94 | 120.6° | 120.0° |
| C82 | C84 | C85 | H95 | 120.6° | 120.0° |
| C82 | C84 | H94 | H95 | 118.0° | 120.1° |
| C82 | C84 | C85 | C86 | 170.2° | 180.0° |
| C82 | C84 | C85 | H96 | 49.6° | 60.0° |
| C82 | C84 | C85 | H97 | 69.3° | 60.0° |
| C84 | C82 | N17 | C78 | 133.8° | 84.9° |
| C84 | C82 | C83 | N19 | 149.9° | 67.2° |
| H93 | C82 | C83 | O18 | 152.4° | 127.0° |
| H93 | C82 | C84 | C85 | 45.7° | 55.3° |
| H93 | C82 | C84 | H94 | 166.4° | 175.2° |
| H93 | C82 | C84 | H95 | 74.9° | 64.7° |
| H93 | C82 | N17 | C78 | 12.0° | 35.4° |
| H93 | C82 | C83 | N19 | 29.9° | 53.0° |
| O18 | C83 | N19 | C87 | 7.3° | 0.3° |
| O18 | C83 | N19 | H100 | 172.7° | 179.7° |
| C85 | C84 | H94 | H95 | 118.0° | 120.0° |
| C84 | C85 | C86 | H96 | 120.5° | 120.0° |
| C84 | C85 | C86 | H97 | 120.5° | 120.0° |
| C84 | C85 | H96 | H97 | 118.4° | 120.0° |
| C84 | C85 | C86 | O19 | 32.3° | 0.0° |
| C84 | C85 | C86 | N18 | 147.4° | 180.0° |
| H94 | C84 | C85 | C86 | 69.2° | 60.0° |
| H94 | C84 | C85 | H96 | 170.3° | 180.0° |
| H94 | C84 | C85 | H97 | 51.3° | 60.0° |
| H95 | C84 | C85 | C86 | 49.5° | 60.0° |
| H95 | C84 | C85 | H96 | 71.0° | 60.0° |
| H95 | C84 | C85 | H97 | 170.0° | 180.0° |
| C86 | C85 | H96 | H97 | 118.3° | 120.0° |
| C85 | C86 | O19 | N18 | 179.8° | 180.0° |
| C85 | C86 | N18 | H98 | 179.7° | 0.0° |
| C85 | C86 | N18 | H99 | 0.2° | 180.0° |
| H96 | C85 | C86 | O19 | 152.9° | 120.0° |
| H96 | C85 | C86 | N18 | 26.9° | 60.0° |
| H97 | C85 | C86 | O19 | 88.2° | 120.1° |
| H97 | C85 | C86 | N18 | 92.0° | 60.0° |
| O19 | C86 | N18 | H98 | 0.0° | 180.0° |
| O19 | C86 | N18 | H99 | 180.0° | 0.0° |
| C86 | N18 | H98 | H99 | 179.9° | 180.0° |
| C87 | N19 | H100 | C83 | 180.0° | 179.9° |
| N19 | C87 | C88 | C89 | 122.9° | 119.8° |
| N19 | C87 | C88 | H101 | 116.6° | 119.7° |
| N19 | C87 | C89 | H101 | 119.1° | 120.4° |
| N19 | C87 | C88 | O20 | 95.5° | 7.8° |
| N19 | C87 | C89 | C90 | 64.1° | 60.8° |
| N19 | C87 | C89 | H102 | 56.5° | 179.3° |
| N19 | C87 | C89 | H103 | 175.3° | 59.3° |
| N19 | C87 | C88 | N20 | 82.5° | 172.2° |
| H100 | N19 | C87 | C88 | 107.9° | 29.8° |
| H100 | N19 | C87 | C89 | 17.0° | 149.6° |
| H100 | N19 | C87 | H101 | 135.8° | 90.0° |
| C88 | C87 | C89 | H101 | 120.4° | 120.4° |
| C87 | C88 | O20 | N20 | 177.8° | 180.0° |
| C88 | C87 | C89 | C90 | 175.5° | 58.5° |
| C88 | C87 | C89 | H102 | 63.9° | 61.4° |
| C88 | C87 | C89 | H103 | 54.8° | 178.6° |
| C87 | C88 | N20 | C96 | 177.1° | 178.9° |
| C87 | C88 | N20 | H109 | 2.8° | 1.1° |
| C88 | C87 | N19 | C83 | 72.1° | 150.3° |
| C89 | C87 | C88 | O20 | 27.4° | 127.6° |
| C87 | C89 | C90 | H102 | 120.6° | 120.0° |
| C87 | C89 | C90 | H103 | 120.6° | 120.0° |
| C87 | C89 | H102 | H103 | 118.1° | 120.0° |
| C87 | C89 | C90 | C91 | 83.0° | 85.8° |
| C87 | C89 | C90 | C92 | 95.9° | 94.4° |
| C89 | C87 | N19 | C83 | 163.0° | 30.5° |
| C89 | C87 | C88 | N20 | 154.6° | 52.4° |
| H101 | C87 | C88 | O20 | 147.9° | 111.9° |
| H101 | C87 | C89 | C90 | 55.0° | 178.9° |
| H101 | C87 | C89 | H102 | 175.7° | 58.9° |
| H101 | C87 | C89 | H103 | 65.6° | 61.1° |
| H101 | C87 | N19 | C83 | 44.2° | 89.9° |
| H101 | C87 | C88 | N20 | 34.2° | 68.1° |
| O20 | C88 | N20 | C96 | 0.7° | 1.1° |
| O20 | C88 | N20 | H109 | 179.3° | 178.9° |
| C90 | C89 | H102 | H103 | 118.1° | 120.0° |
| C89 | C90 | C91 | C92 | 178.9° | 179.7° |
| C89 | C90 | C91 | C93 | 179.5° | 180.0° |
| C89 | C90 | C91 | H104 | 0.5° | 0.0° |
| C89 | C90 | C92 | C94 | 179.7° | 180.0° |
| C89 | C90 | C92 | H105 | 0.3° | 0.0° |
| H102 | C89 | C90 | C91 | 156.4° | 34.1° |
| H102 | C89 | C90 | C92 | 24.8° | 145.6° |
| H103 | C89 | C90 | C91 | 37.6° | 154.2° |
| H103 | C89 | C90 | C92 | 143.5° | 25.6° |
| C90 | C91 | C93 | H104 | 180.0° | 180.0° |
| C91 | C90 | C92 | C94 | 0.8° | 0.2° |
| C91 | C90 | C92 | H105 | 179.2° | 179.7° |
| C90 | C91 | C93 | C95 | 0.1° | 0.0° |
| C90 | C91 | C93 | H106 | 179.9° | 180.0° |
| C92 | C90 | C91 | C93 | 0.6° | 0.2° |
| C92 | C90 | C91 | H104 | 179.4° | 179.7° |
| C90 | C92 | C94 | H105 | 180.0° | 180.0° |
| C90 | C92 | C94 | C95 | 0.4° | 0.0° |
| C90 | C92 | C94 | H107 | 179.6° | 180.0° |
| C91 | C93 | C95 | H106 | 180.0° | 180.0° |
| C91 | C93 | C95 | C94 | 0.2° | 0.2° |
| C91 | C93 | C95 | H108 | 179.8° | 180.0° |
| H104 | C91 | C93 | C95 | 179.9° | 180.0° |
| H104 | C91 | C93 | H106 | 0.2° | 0.0° |
| C92 | C94 | C95 | C93 | 0.1° | 0.2° |
| C92 | C94 | C95 | H107 | 180.0° | 180.0° |
| C92 | C94 | C95 | H108 | 180.0° | 180.0° |
| H105 | C92 | C94 | C95 | 179.5° | 180.0° |
| H105 | C92 | C94 | H107 | 0.5° | 0.0° |
| C93 | C95 | C94 | H108 | 180.0° | 179.8° |
| C93 | C95 | C94 | H107 | 179.9° | 179.8° |
| H106 | C93 | C95 | C94 | 179.8° | 179.8° |
| H106 | C93 | C95 | H108 | 0.2° | 0.0° |
| H107 | C94 | C95 | H108 | 0.0° | 0.0° |
| C96 | N20 | H109 | C88 | 180.0° | 180.0° |
| N20 | C96 | C97 | C98 | 127.3° | 119.7° |
| N20 | C96 | C97 | H110 | 115.4° | 119.8° |
| N20 | C96 | C98 | H110 | 116.9° | 120.5° |
| N20 | C96 | C97 | O21 | 147.2° | 16.4° |
| N20 | C96 | C98 | C99 | 118.9° | 65.0° |
| N20 | C96 | C98 | H111 | 1.3° | 55.0° |
| N20 | C96 | C98 | H112 | 120.8° | 175.1° |
| N20 | C96 | C97 | N21 | 33.2° | 163.6° |
| H109 | N20 | C96 | C97 | 119.9° | 47.2° |
| H109 | N20 | C96 | C98 | 111.8° | 72.5° |
| H109 | N20 | C96 | H110 | 4.8° | 166.9° |
| C97 | C96 | C98 | H110 | 117.2° | 120.5° |
| C96 | C97 | O21 | N21 | 179.6° | 180.0° |
| C97 | C96 | C98 | C99 | 115.2° | 175.9° |
| C97 | C96 | C98 | H111 | 124.5° | 64.1° |
| C97 | C96 | C98 | H112 | 5.1° | 56.0° |
| C96 | C97 | N21 | C100 | 176.2° | 178.7° |
| C96 | C97 | N21 | H114 | 3.9° | 1.4° |
| C97 | C96 | N20 | C88 | 60.1° | 132.8° |
| C98 | C96 | C97 | O21 | 19.8° | 136.1° |
| C96 | C98 | C99 | H111 | 120.3° | 120.0° |
| C96 | C98 | C99 | H112 | 120.3° | 120.0° |
| C96 | C98 | H111 | H112 | 119.2° | 120.1° |
| C96 | C98 | C99 | O22 | 46.7° | 0.0° |
| C96 | C98 | C99 | O23 | 131.8° | 180.0° |
| C98 | C96 | N20 | C88 | 68.2° | 107.5° |
| C98 | C96 | C97 | N21 | 160.5° | 43.9° |
| H110 | C96 | C97 | O21 | 97.4° | 103.4° |
| H110 | C96 | C98 | C99 | 2.0° | 55.5° |
| H110 | C96 | C98 | H111 | 118.2° | 175.5° |
| H110 | C96 | C98 | H112 | 122.3° | 64.5° |
| H110 | C96 | N20 | C88 | 175.2° | 13.1° |
| H110 | C96 | C97 | N21 | 82.2° | 76.7° |
| O21 | C97 | N21 | C100 | 3.5° | 1.3° |
| O21 | C97 | N21 | H114 | 176.5° | 178.6° |
| C99 | C98 | H111 | H112 | 119.2° | 120.0° |
| C98 | C99 | O22 | O23 | 178.4° | 180.0° |
| C98 | C99 | O23 | H113 | 178.4° | 180.0° |
| H111 | C98 | C99 | O22 | 167.0° | 120.0° |
| H111 | C98 | C99 | O23 | 11.5° | 60.0° |
| H112 | C98 | C99 | O22 | 73.6° | 119.9° |
| H112 | C98 | C99 | O23 | 107.9° | 60.0° |
| O22 | C99 | O23 | H113 | 0.0° | 0.0° |
| C100 | N21 | H114 | C97 | 180.0° | 179.9° |
| N21 | C100 | C101 | C102 | 123.8° | 120.0° |
| N21 | C100 | C101 | H115 | 118.2° | 119.9° |
| N21 | C100 | C102 | H115 | 118.1° | 120.1° |
| N21 | C100 | C101 | O24 | 34.0° | 12.1° |
| N21 | C100 | C102 | O25 | 73.9° | 173.2° |
| N21 | C100 | C102 | H116 | 165.9° | 66.9° |
| N21 | C100 | C102 | H117 | 46.3° | 53.1° |
| N21 | C100 | C101 | N22 | 146.4° | 167.9° |
| H114 | N21 | C100 | C101 | 133.9° | 22.3° |
| H114 | N21 | C100 | C102 | 102.0° | 142.3° |
| H114 | N21 | C100 | H115 | 16.0° | 97.5° |
| C101 | C100 | C102 | H115 | 117.8° | 120.1° |
| C100 | C101 | O24 | N22 | 179.6° | 180.0° |
| C101 | C100 | C102 | O25 | 50.2° | 53.4° |
| C101 | C100 | C102 | H116 | 70.0° | 173.3° |
| C101 | C100 | C102 | H117 | 170.4° | 66.7° |
| C100 | C101 | N22 | C103 | 177.4° | 179.1° |
| C100 | C101 | N22 | H119 | 2.6° | 1.0° |
| C101 | C100 | N21 | C97 | 46.1° | 157.6° |
| C102 | C100 | C101 | O24 | 157.8° | 132.1° |
| C100 | C102 | O25 | H116 | 120.2° | 119.9° |
| C100 | C102 | O25 | H117 | 120.2° | 120.0° |
| C100 | C102 | H116 | H117 | 119.4° | 120.0° |
| C100 | C102 | O25 | H118 | 22.1° | 180.0° |
| C102 | C100 | N21 | C97 | 78.1° | 37.6° |
| C102 | C100 | C101 | N22 | 22.6° | 48.0° |
| H115 | C100 | C101 | O24 | 84.2° | 107.8° |
| H115 | C100 | C102 | O25 | 168.0° | 66.7° |
| H115 | C100 | C102 | H116 | 47.8° | 53.2° |
| H115 | C100 | C102 | H117 | 71.8° | 173.2° |
| H115 | C100 | N21 | C97 | 164.0° | 82.5° |
| H115 | C100 | C101 | N22 | 95.4° | 72.2° |
| O24 | C101 | N22 | C103 | 2.2° | 0.9° |
| O24 | C101 | N22 | H119 | 177.8° | 179.0° |
| O25 | C102 | H116 | H117 | 119.4° | 120.1° |
| H116 | C102 | O25 | H118 | 142.3° | 60.1° |
| H117 | C102 | O25 | H118 | 98.1° | 60.0° |
| C103 | N22 | H119 | C101 | 180.0° | 179.9° |
| N22 | C103 | C104 | C105 | 121.5° | 119.8° |
| N22 | C103 | C104 | H120 | 117.9° | 119.8° |
| N22 | C103 | C105 | H120 | 120.2° | 120.4° |
| N22 | C103 | C104 | O26 | 126.9° | 51.0° |
| N22 | C103 | C105 | O27 | 66.5° | 57.2° |
| N22 | C103 | C105 | C106 | 54.7° | 62.8° |
| N22 | C103 | C105 | H121 | 174.8° | 177.2° |
| N22 | C103 | C104 | N23 | 52.9° | 129.0° |
| H119 | N22 | C103 | C104 | 148.7° | 33.0° |
| H119 | N22 | C103 | C105 | 88.7° | 86.8° |
| H119 | N22 | C103 | H120 | 31.1° | 152.7° |
| C104 | C103 | C105 | H120 | 120.7° | 120.4° |
| C103 | C104 | O26 | N23 | 179.7° | 180.0° |
| C104 | C103 | C105 | O27 | 52.6° | 62.0° |
| C104 | C103 | C105 | C106 | 173.8° | 178.0° |
| C104 | C103 | C105 | H121 | 66.1° | 58.0° |
| C103 | C104 | N23 | C107 | 173.1° | 178.5° |
| C103 | C104 | N23 | H126 | 6.9° | 1.4° |
| C104 | C103 | N22 | C101 | 31.3° | 147.0° |
| C105 | C103 | C104 | O26 | 5.4° | 170.8° |
| C103 | C105 | O27 | C106 | 123.1° | 120.0° |
| C103 | C105 | O27 | H121 | 117.8° | 120.1° |
| C103 | C105 | C106 | H121 | 119.9° | 120.1° |
| C103 | C105 | O27 | H122 | 49.1° | 65.1° |
| C103 | C105 | C106 | H123 | 180.0° | 59.9° |
| C103 | C105 | C106 | H124 | 60.0° | 180.0° |
| C103 | C105 | C106 | H125 | 60.0° | 60.1° |
| C105 | C103 | N22 | C101 | 91.3° | 93.3° |
| C105 | C103 | C104 | N23 | 174.4° | 9.2° |
| H120 | C103 | C104 | O26 | 115.2° | 68.7° |
| H120 | C103 | C105 | O27 | 173.3° | 177.6° |
| H120 | C103 | C105 | C106 | 65.5° | 57.7° |
| H120 | C103 | C105 | H121 | 54.6° | 62.4° |
| H120 | C103 | N22 | C101 | 148.9° | 27.2° |
| H120 | C103 | C104 | N23 | 65.0° | 111.2° |
| O26 | C104 | N23 | C107 | 6.6° | 1.5° |
| O26 | C104 | N23 | H126 | 173.4° | 178.6° |
| O27 | C105 | C106 | H121 | 119.7° | 119.9° |
| O27 | C105 | C106 | H123 | 59.7° | 60.0° |
| O27 | C105 | C106 | H124 | 179.7° | 60.0° |
| O27 | C105 | C106 | H125 | 60.3° | 180.0° |
| C106 | C105 | O27 | H122 | 172.2° | 175.0° |
| C105 | C106 | H123 | H124 | 120.0° | 120.1° |
| C105 | C106 | H123 | H125 | 120.0° | 120.0° |
| C105 | C106 | H124 | H125 | 120.0° | 119.9° |
| H121 | C105 | O27 | H122 | 68.7° | 55.0° |
| H121 | C105 | C106 | H123 | 60.1° | 180.0° |
| H121 | C105 | C106 | H124 | 59.9° | 59.9° |
| H121 | C105 | C106 | H125 | 179.9° | 60.0° |
| H123 | C106 | H124 | H125 | 120.0° | 120.0° |
| C107 | N23 | H126 | C104 | 180.0° | 179.9° |
| N23 | C107 | C108 | C109 | 124.9° | 119.5° |
| N23 | C107 | C108 | H127 | 118.2° | 120.2° |
| N23 | C107 | C109 | H127 | 121.8° | 119.8° |
| N23 | C107 | C108 | O28 | 108.8° | 20.0° |
| N23 | C107 | C108 | O29 | 13.3° | 160.0° |
| N23 | C107 | C109 | S1 | 172.3° | 158.6° |
| N23 | C107 | C109 | H128 | 67.0° | 81.4° |
| N23 | C107 | C109 | H129 | 51.6° | 38.5° |
| H126 | N23 | C107 | C108 | 122.4° | 105.7° |
| H126 | N23 | C107 | C109 | 1.6° | 14.1° |
| H126 | N23 | C107 | H127 | 119.9° | 134.0° |
| C108 | C107 | C109 | H127 | 116.7° | 120.3° |
| C107 | C108 | O28 | O29 | 65.4° | 179.9° |
| C108 | C107 | C109 | S1 | 50.7° | 38.7° |
| C108 | C107 | C109 | H128 | 171.4° | 158.7° |
| C108 | C107 | C109 | H129 | 70.0° | 81.4° |
| C107 | C108 | O29 | H130 | 90.0° | 180.0° |
| C108 | C107 | N23 | C104 | 57.6° | 74.2° |
| C109 | C107 | C108 | O28 | 126.3° | 99.6° |
| C109 | C107 | C108 | O29 | 111.6° | 80.5° |
| C107 | C109 | S1 | H128 | 120.7° | 120.0° |
| C107 | C109 | S1 | H129 | 120.7° | 120.0° |
| C107 | C109 | H128 | H129 | 117.8° | 120.0° |
| C109 | C107 | N23 | C104 | 178.4° | 166.0° |
| C107 | C109 | S1 | C111 | 37.3° | 60.9° |
| H127 | C107 | C108 | O28 | 9.4° | 140.2° |
| H127 | C107 | C108 | O29 | 131.5° | 39.8° |
| H127 | C107 | C109 | S1 | 66.0° | 81.6° |
| H127 | C107 | C109 | H128 | 54.7° | 38.4° |
| H127 | C107 | C109 | H129 | 173.3° | 158.4° |
| H127 | C107 | N23 | C104 | 60.1° | 46.1° |
| O28 | C108 | O29 | H130 | 90.0° | 0.0° |
| S1 | C109 | H128 | H129 | 117.9° | 120.0° |
| C109 | S1 | C111 | C110 | 92.9° | 147.8° |
| C109 | S1 | C111 | H131 | 149.2° | 27.7° |
| C109 | S1 | C111 | H132 | 25.0° | 92.4° |
| H128 | C109 | S1 | C111 | 83.4° | 59.1° |
| H129 | C109 | S1 | C111 | 157.9° | 179.1° |
| O30 | C110 | C111 | N1 | 167.2° | 179.7° |
| O30 | C110 | C111 | H131 | 119.5° | 74.0° |
| O30 | C110 | C111 | H132 | 4.7° | 165.9° |
| O30 | C110 | C111 | S1 | 122.6° | 46.0° |
| C110 | C111 | H131 | H132 | 125.8° | 120.1° |
| C110 | C111 | H131 | S1 | 108.4° | 119.9° |
| C110 | C111 | H132 | S1 | 108.3° | 119.7° |
| H131 | C111 | H132 | S1 | 125.9° | 120.0° |
| H131 | C111 | C110 | N1 | 47.7° | 105.8° |
| H132 | C111 | C110 | N1 | 171.9° | 14.4° |
| N1 | C110 | C111 | S1 | 70.2° | 134.2° |
