PRD_001107
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.48Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | N2 | sing | 1.46Å | 1.48Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | C6 | sing | 1.37Å | 1.34Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C6 | N3 | sing | 1.33Å | 1.33Å | |
| C6 | N4 | doub | 1.33Å | 1.33Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| N5 | C7 | sing | 1.46Å | 1.47Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | O2 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | N6 | sing | 1.46Å | 1.46Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| N6 | C12 | sing | 1.37Å | 1.33Å | |
| N6 | H23 | sing | 0.97Å | 1.00Å | |
| C12 | N7 | sing | 1.33Å | 1.33Å | |
| C12 | N8 | doub | 1.33Å | 1.33Å | |
| N7 | H24 | sing | 0.97Å | 1.00Å | |
| N7 | H25 | sing | 0.97Å | 1.00Å | |
| N8 | H26 | sing | 0.97Å | 1.00Å | |
| N8 | H27 | sing | 0.97Å | 1.00Å | |
| N9 | C13 | sing | 1.47Å | 1.45Å | |
| N9 | H28 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | O3 | doub | 1.21Å | 1.25Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | doub | 1.36Å | 1.39Å | Aromatic |
| C16 | C19 | sing | 1.41Å | 1.48Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | H32 | sing | 1.08Å | 1.08Å | |
| C18 | C21 | doub | 1.36Å | 1.39Å | Aromatic |
| C18 | H33 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | doub | 1.42Å | 1.48Å | Aromatic |
| C19 | C22 | sing | 1.41Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.41Å | 1.38Å | Aromatic |
| C20 | C25 | sing | 1.41Å | 1.38Å | Aromatic |
| C21 | H34 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | doub | 1.36Å | 1.39Å | Aromatic |
| C22 | H35 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | H36 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.36Å | 1.40Å | Aromatic |
| C24 | H37 | sing | 1.08Å | 1.08Å | |
| C25 | H38 | sing | 1.08Å | 1.08Å | |
| N10 | C26 | sing | 1.47Å | 1.46Å | |
| N10 | H39 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | O4 | doub | 1.21Å | 1.22Å | |
| C28 | S1 | sing | 1.81Å | 1.80Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| N11 | C29 | sing | 1.47Å | 1.45Å | |
| N11 | H43 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.50Å | 1.52Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | O5 | doub | 1.21Å | 1.23Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | H47 | sing | 1.08Å | 1.08Å | |
| C34 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | H48 | sing | 1.08Å | 1.08Å | |
| C35 | C37 | doub | 1.39Å | 1.39Å | Aromatic |
| C35 | H49 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | sing | 1.39Å | 1.37Å | Aromatic |
| C36 | H50 | sing | 1.08Å | 1.08Å | |
| C37 | O6 | sing | 1.36Å | 1.38Å | |
| O6 | H51 | sing | 0.97Å | 0.95Å | |
| N12 | C38 | sing | 1.48Å | 1.46Å | |
| N12 | H52 | sing | 0.97Å | 1.00Å | |
| C38 | C39 | sing | 1.51Å | 1.53Å | |
| C38 | C40 | sing | 1.53Å | 1.54Å | |
| C38 | H53 | sing | 1.09Å | 1.10Å | |
| C39 | O7 | doub | 1.21Å | 1.23Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C40 | H54 | sing | 1.09Å | 1.10Å | |
| C40 | H55 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.51Å | 1.52Å | |
| C41 | H56 | sing | 1.09Å | 1.10Å | |
| C41 | H57 | sing | 1.09Å | 1.10Å | |
| C42 | O8 | doub | 1.21Å | 1.23Å | |
| C42 | N13 | sing | 1.35Å | 1.33Å | |
| N13 | H58 | sing | 0.97Å | 1.00Å | |
| N13 | H59 | sing | 0.97Å | 1.00Å | |
| N14 | C43 | sing | 1.48Å | 1.47Å | |
| N14 | H60 | sing | 0.97Å | 1.00Å | |
| C43 | C44 | sing | 1.51Å | 1.53Å | |
| C43 | C45 | sing | 1.53Å | 1.53Å | |
| C43 | H61 | sing | 1.09Å | 1.10Å | |
| C44 | O9 | doub | 1.21Å | 1.24Å | |
| C45 | C46 | sing | 1.53Å | 1.55Å | |
| C45 | H62 | sing | 1.09Å | 1.10Å | |
| C45 | H63 | sing | 1.09Å | 1.10Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C46 | H64 | sing | 1.09Å | 1.10Å | |
| C46 | H65 | sing | 1.09Å | 1.10Å | |
| C47 | C48 | sing | 1.53Å | 1.54Å | |
| C47 | H66 | sing | 1.09Å | 1.10Å | |
| C47 | H67 | sing | 1.09Å | 1.10Å | |
| C48 | N15 | sing | 1.47Å | 1.51Å | |
| C48 | H68 | sing | 1.09Å | 1.10Å | |
| C48 | H69 | sing | 1.09Å | 1.10Å | |
| N15 | H70 | sing | 1.01Å | 1.00Å | |
| N15 | H71 | sing | 1.01Å | 1.00Å | |
| N15 | H72 | sing | 1.01Å | 1.00Å | |
| N16 | C49 | sing | 1.46Å | 1.47Å | |
| N16 | C52 | sing | 1.47Å | 1.48Å | |
| C49 | C50 | sing | 1.53Å | 1.53Å | |
| C49 | C53 | sing | 1.51Å | 1.53Å | |
| C49 | H73 | sing | 1.09Å | 1.10Å | |
| C50 | C51 | sing | 1.53Å | 1.49Å | |
| C50 | H74 | sing | 1.09Å | 1.10Å | |
| C50 | H75 | sing | 1.09Å | 1.10Å | |
| C51 | C52 | sing | 1.53Å | 1.49Å | |
| C51 | H76 | sing | 1.09Å | 1.10Å | |
| C51 | H77 | sing | 1.09Å | 1.10Å | |
| C52 | H78 | sing | 1.09Å | 1.10Å | |
| C52 | H79 | sing | 1.09Å | 1.10Å | |
| C53 | O10 | doub | 1.21Å | 1.23Å | |
| N17 | C54 | sing | 1.47Å | 1.46Å | |
| N17 | C58 | sing | 1.47Å | 1.47Å | |
| C54 | C55 | sing | 1.49Å | 1.53Å | |
| C54 | C56 | sing | 1.54Å | 1.53Å | |
| C54 | H80 | sing | 1.10Å | 1.10Å | |
| C55 | O11 | doub | 1.21Å | 1.23Å | |
| C56 | C57 | sing | 1.54Å | 1.48Å | |
| C56 | H81 | sing | 1.09Å | 1.10Å | |
| C56 | H82 | sing | 1.09Å | 1.10Å | |
| C57 | C58 | sing | 1.53Å | 1.51Å | |
| C57 | H83 | sing | 1.09Å | 1.10Å | |
| C57 | H84 | sing | 1.09Å | 1.10Å | |
| C58 | H85 | sing | 1.09Å | 1.10Å | |
| C58 | H86 | sing | 1.09Å | 1.10Å | |
| N18 | C59 | sing | 1.47Å | 1.47Å | |
| N18 | H87 | sing | 0.97Å | 1.00Å | |
| C59 | C60 | sing | 1.51Å | 1.53Å | |
| C59 | C61 | sing | 1.53Å | 1.53Å | |
| C59 | H88 | sing | 1.09Å | 1.10Å | |
| C60 | O12 | doub | 1.21Å | 1.23Å | |
| C61 | C62 | sing | 1.51Å | 1.51Å | |
| C61 | H89 | sing | 1.09Å | 1.10Å | |
| C61 | H90 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | doub | 1.38Å | 1.40Å | Aromatic |
| C62 | C64 | sing | 1.38Å | 1.39Å | Aromatic |
| C63 | C65 | sing | 1.38Å | 1.38Å | Aromatic |
| C63 | H91 | sing | 1.08Å | 1.08Å | |
| C64 | C66 | doub | 1.38Å | 1.38Å | Aromatic |
| C64 | H92 | sing | 1.08Å | 1.08Å | |
| C65 | C67 | doub | 1.39Å | 1.38Å | Aromatic |
| C65 | H93 | sing | 1.08Å | 1.08Å | |
| C66 | C67 | sing | 1.39Å | 1.38Å | Aromatic |
| C66 | H94 | sing | 1.08Å | 1.08Å | |
| C67 | O13 | sing | 1.36Å | 1.37Å | |
| O13 | H95 | sing | 0.97Å | 0.95Å | |
| N19 | C68 | sing | 1.48Å | 1.46Å | |
| N19 | H96 | sing | 0.97Å | 1.00Å | |
| C68 | C69 | sing | 1.51Å | 1.52Å | |
| C68 | C70 | sing | 1.53Å | 1.53Å | |
| C68 | H97 | sing | 1.09Å | 1.10Å | |
| C69 | O14 | doub | 1.21Å | 1.23Å | |
| C70 | C71 | sing | 1.53Å | 1.51Å | |
| C70 | H98 | sing | 1.09Å | 1.10Å | |
| C70 | H99 | sing | 1.09Å | 1.10Å | |
| C71 | C72 | sing | 1.53Å | 1.53Å | |
| C71 | H100 | sing | 1.09Å | 1.10Å | |
| C71 | H101 | sing | 1.09Å | 1.10Å | |
| C72 | N20 | sing | 1.46Å | 1.47Å | |
| C72 | H102 | sing | 1.09Å | 1.10Å | |
| C72 | H103 | sing | 1.09Å | 1.10Å | |
| N20 | C73 | sing | 1.37Å | 1.34Å | |
| N20 | H104 | sing | 0.97Å | 1.00Å | |
| C73 | N21 | sing | 1.33Å | 1.33Å | |
| C73 | N22 | doub | 1.33Å | 1.33Å | |
| N21 | H105 | sing | 0.97Å | 1.00Å | |
| N21 | H106 | sing | 0.97Å | 1.00Å | |
| N22 | H107 | sing | 0.97Å | 1.00Å | |
| N22 | H108 | sing | 0.97Å | 1.00Å | |
| C74 | O15 | doub | 1.21Å | 1.25Å | |
| C74 | C75 | sing | 1.51Å | 1.49Å | |
| C75 | N23 | sing | 1.48Å | 1.45Å | |
| C75 | C76 | sing | 1.53Å | 1.51Å | |
| C75 | H109 | sing | 1.09Å | 1.10Å | |
| N23 | H110 | sing | 0.97Å | 1.00Å | |
| C76 | C77 | sing | 1.53Å | 1.52Å | |
| C76 | H111 | sing | 1.09Å | 1.10Å | |
| C76 | H112 | sing | 1.09Å | 1.10Å | |
| C77 | C78 | sing | 1.53Å | 1.52Å | |
| C77 | H113 | sing | 1.09Å | 1.10Å | |
| C77 | H114 | sing | 1.09Å | 1.10Å | |
| C78 | N24 | sing | 1.46Å | 1.45Å | |
| C78 | H115 | sing | 1.09Å | 1.10Å | |
| C78 | H116 | sing | 1.09Å | 1.10Å | |
| N24 | C79 | sing | 1.35Å | 1.33Å | |
| N24 | H117 | sing | 0.97Å | 1.00Å | |
| C79 | O16 | doub | 1.22Å | 1.23Å | |
| C79 | N25 | sing | 1.35Å | 1.34Å | |
| N25 | H118 | sing | 0.97Å | 1.00Å | |
| N25 | H119 | sing | 0.97Å | 1.00Å | |
| N26 | C80 | sing | 1.48Å | 1.46Å | |
| N26 | H120 | sing | 0.97Å | 1.00Å | |
| C80 | C81 | sing | 1.51Å | 1.53Å | |
| C80 | C82 | sing | 1.53Å | 1.54Å | |
| C80 | H121 | sing | 1.09Å | 1.10Å | |
| C81 | O17 | doub | 1.21Å | 1.23Å | |
| C82 | S2 | sing | 1.82Å | 1.85Å | |
| C82 | H122 | sing | 1.09Å | 1.10Å | |
| C82 | H123 | sing | 1.09Å | 1.10Å | |
| N27 | C83 | sing | 1.47Å | 1.46Å | |
| N27 | H124 | sing | 0.97Å | 1.00Å | |
| C83 | C84 | sing | 1.51Å | 1.53Å | |
| C83 | C85 | sing | 1.53Å | 1.52Å | |
| C83 | H125 | sing | 1.09Å | 1.10Å | |
| C84 | O18 | doub | 1.21Å | 1.24Å | |
| C85 | C86 | sing | 1.53Å | 1.50Å | |
| C85 | H126 | sing | 1.09Å | 1.10Å | |
| C85 | H127 | sing | 1.09Å | 1.10Å | |
| C86 | C87 | sing | 1.53Å | 1.52Å | |
| C86 | H128 | sing | 1.09Å | 1.10Å | |
| C86 | H129 | sing | 1.09Å | 1.10Å | |
| C87 | N28 | sing | 1.47Å | 1.46Å | |
| C87 | H130 | sing | 1.09Å | 1.10Å | |
| C87 | H131 | sing | 1.09Å | 1.10Å | |
| N28 | C88 | sing | 1.37Å | 1.33Å | |
| N28 | H132 | sing | 0.97Å | 1.00Å | |
| C88 | N29 | sing | 1.33Å | 1.33Å | |
| C88 | N30 | doub | 1.33Å | 1.33Å | |
| N29 | H133 | sing | 0.97Å | 1.00Å | |
| N29 | H134 | sing | 0.97Å | 1.00Å | |
| N30 | H135 | sing | 0.97Å | 1.00Å | |
| N30 | H136 | sing | 0.97Å | 1.00Å | |
| N31 | C89 | sing | 1.46Å | 1.46Å | |
| N31 | H137 | sing | 0.97Å | 1.00Å | |
| C89 | C90 | sing | 1.51Å | 1.51Å | |
| C89 | H138 | sing | 1.09Å | 1.10Å | |
| C89 | H139 | sing | 1.09Å | 1.10Å | |
| C90 | O19 | doub | 1.21Å | 1.23Å | |
| N32 | C91 | sing | 1.47Å | 1.45Å | |
| N32 | C94 | sing | 1.47Å | 1.47Å | |
| C91 | C92 | sing | 1.54Å | 1.53Å | |
| C91 | C95 | sing | 1.51Å | 1.53Å | |
| C91 | H140 | sing | 1.09Å | 1.10Å | |
| C92 | C93 | sing | 1.55Å | 1.50Å | |
| C92 | H141 | sing | 1.09Å | 1.10Å | |
| C92 | H142 | sing | 1.09Å | 1.10Å | |
| C93 | C94 | sing | 1.55Å | 1.47Å | |
| C93 | H143 | sing | 1.09Å | 1.10Å | |
| C93 | H144 | sing | 1.09Å | 1.10Å | |
| C94 | H145 | sing | 1.09Å | 1.10Å | |
| C94 | H146 | sing | 1.09Å | 1.10Å | |
| C95 | O20 | doub | 1.21Å | 1.24Å | |
| C95 | O21 | sing | 1.34Å | 1.24Å | |
| O21 | H147 | sing | 0.97Å | 0.95Å | |
| C2 | N5 | sing | 1.35Å | 1.33Å | |
| C8 | N9 | sing | 1.35Å | 1.34Å | |
| C14 | N10 | sing | 1.35Å | 1.33Å | |
| C27 | N11 | sing | 1.37Å | 1.33Å | |
| S1 | S2 | sing | 2.05Å | 2.06Å | |
| C30 | N12 | sing | 1.36Å | 1.33Å | |
| C39 | N14 | sing | 1.37Å | 1.33Å | |
| C44 | N16 | sing | 1.35Å | 1.35Å | |
| C53 | N17 | sing | 1.35Å | 1.34Å | |
| C55 | N18 | sing | 1.37Å | 1.34Å | |
| C60 | N19 | sing | 1.37Å | 1.33Å | |
| C69 | N23 | sing | 1.36Å | 1.34Å | |
| C74 | N26 | sing | 1.37Å | 1.33Å | |
| C81 | N27 | sing | 1.35Å | 1.33Å | |
| C84 | N31 | sing | 1.35Å | 1.33Å | |
| C90 | N32 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 108.1° | 109.5° |
| N1 | C1 | C3 | 111.0° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.4° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 110.0° | 109.5° |
| C2 | C1 | H3 | 109.2° | 109.5° |
| C1 | C2 | O1 | 119.9° | 120.0° |
| C1 | C2 | N5 | 116.7° | 120.0° |
| C3 | C1 | H3 | 108.9° | 109.5° |
| C1 | C3 | C4 | 114.1° | 109.5° |
| C1 | C3 | H4 | 108.3° | 109.5° |
| C1 | C3 | H5 | 108.3° | 109.5° |
| O1 | C2 | N5 | 123.4° | 120.0° |
| C4 | C3 | H4 | 108.3° | 109.5° |
| C4 | C3 | H5 | 108.3° | 109.4° |
| C3 | C4 | C5 | 112.5° | 109.5° |
| C3 | C4 | H6 | 108.7° | 109.5° |
| C3 | C4 | H7 | 108.7° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| C5 | C4 | H6 | 108.7° | 109.5° |
| C5 | C4 | H7 | 108.7° | 109.5° |
| C4 | C5 | N2 | 111.7° | 109.5° |
| C4 | C5 | H8 | 108.9° | 109.4° |
| C4 | C5 | H9 | 108.9° | 109.5° |
| H6 | C4 | H7 | 109.4° | 109.5° |
| N2 | C5 | H8 | 108.9° | 109.5° |
| N2 | C5 | H9 | 108.9° | 109.5° |
| C5 | N2 | C6 | 125.6° | 120.0° |
| C5 | N2 | H10 | 117.2° | 120.0° |
| H8 | C5 | H9 | 109.5° | 109.4° |
| C6 | N2 | H10 | 117.2° | 119.9° |
| N2 | C6 | N3 | 119.5° | 120.0° |
| N2 | C6 | N4 | 121.3° | 120.0° |
| N3 | C6 | N4 | 119.1° | 120.0° |
| C6 | N3 | H11 | 120.0° | 120.0° |
| C6 | N3 | H12 | 120.0° | 120.0° |
| C6 | N4 | H13 | 120.0° | 120.0° |
| C6 | N4 | H14 | 120.0° | 120.0° |
| H11 | N3 | H12 | 120.0° | 120.0° |
| H13 | N4 | H14 | 120.0° | 120.0° |
| C7 | N5 | H15 | 119.0° | 120.0° |
| N5 | C7 | C8 | 114.1° | 109.4° |
| N5 | C7 | C9 | 110.2° | 109.5° |
| N5 | C7 | H16 | 108.0° | 109.5° |
| C7 | N5 | C2 | 122.0° | 120.0° |
| H15 | N5 | C2 | 119.0° | 120.0° |
| C8 | C7 | C9 | 109.8° | 109.5° |
| C8 | C7 | H16 | 107.3° | 109.5° |
| C7 | C8 | O2 | 119.0° | 120.0° |
| C7 | C8 | N9 | 134.5° | 120.0° |
| C9 | C7 | H16 | 107.2° | 109.5° |
| C7 | C9 | C10 | 112.2° | 109.5° |
| C7 | C9 | H17 | 108.8° | 109.5° |
| C7 | C9 | H18 | 108.8° | 109.5° |
| O2 | C8 | N9 | 106.4° | 120.0° |
| C10 | C9 | H17 | 108.8° | 109.5° |
| C10 | C9 | H18 | 108.8° | 109.5° |
| C9 | C10 | C11 | 113.2° | 109.5° |
| C9 | C10 | H19 | 108.5° | 109.5° |
| C9 | C10 | H20 | 108.5° | 109.4° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| C11 | C10 | H19 | 108.5° | 109.5° |
| C11 | C10 | H20 | 108.5° | 109.5° |
| C10 | C11 | N6 | 115.0° | 109.5° |
| C10 | C11 | H21 | 108.1° | 109.5° |
| C10 | C11 | H22 | 108.1° | 109.4° |
| H19 | C10 | H20 | 109.5° | 109.5° |
| N6 | C11 | H21 | 108.1° | 109.5° |
| N6 | C11 | H22 | 108.1° | 109.5° |
| C11 | N6 | C12 | 125.0° | 120.0° |
| C11 | N6 | H23 | 117.5° | 120.0° |
| H21 | C11 | H22 | 109.5° | 109.5° |
| C12 | N6 | H23 | 117.5° | 120.0° |
| N6 | C12 | N7 | 121.7° | 120.0° |
| N6 | C12 | N8 | 119.2° | 120.0° |
| N7 | C12 | N8 | 119.1° | 120.0° |
| C12 | N7 | H24 | 120.0° | 120.0° |
| C12 | N7 | H25 | 120.0° | 120.0° |
| C12 | N8 | H26 | 120.0° | 120.0° |
| C12 | N8 | H27 | 120.0° | 119.9° |
| H24 | N7 | H25 | 120.0° | 119.9° |
| H26 | N8 | H27 | 120.0° | 120.1° |
| C13 | N9 | H28 | 119.3° | 120.0° |
| N9 | C13 | C14 | 107.6° | 109.5° |
| N9 | C13 | C15 | 110.9° | 109.5° |
| N9 | C13 | H29 | 109.8° | 109.4° |
| C13 | N9 | C8 | 121.5° | 120.0° |
| H28 | N9 | C8 | 119.2° | 120.1° |
| C14 | C13 | C15 | 110.4° | 109.5° |
| C14 | C13 | H29 | 109.2° | 109.5° |
| C13 | C14 | O3 | 119.0° | 120.0° |
| C13 | C14 | N10 | 120.3° | 119.9° |
| C15 | C13 | H29 | 108.8° | 109.5° |
| C13 | C15 | C16 | 114.0° | 109.5° |
| C13 | C15 | H30 | 108.4° | 109.5° |
| C13 | C15 | H31 | 108.3° | 109.5° |
| O3 | C14 | N10 | 120.7° | 120.0° |
| C16 | C15 | H30 | 108.3° | 109.4° |
| C16 | C15 | H31 | 108.4° | 109.4° |
| C15 | C16 | C17 | 119.6° | 120.2° |
| C15 | C16 | C19 | 122.7° | 120.2° |
| H30 | C15 | H31 | 109.4° | 109.5° |
| C17 | C16 | C19 | 117.7° | 119.7° |
| C16 | C17 | C18 | 122.7° | 121.0° |
| C16 | C17 | H32 | 118.7° | 119.5° |
| C16 | C19 | C20 | 117.7° | 119.4° |
| C16 | C19 | C22 | 122.8° | 121.3° |
| C18 | C17 | H32 | 118.7° | 119.5° |
| C17 | C18 | C21 | 121.4° | 121.0° |
| C17 | C18 | H33 | 119.3° | 119.5° |
| C21 | C18 | H33 | 119.3° | 119.5° |
| C18 | C21 | C20 | 120.2° | 119.6° |
| C18 | C21 | H34 | 119.9° | 120.2° |
| C20 | C19 | C22 | 119.5° | 119.3° |
| C19 | C20 | C21 | 120.4° | 119.4° |
| C19 | C20 | C25 | 119.2° | 119.4° |
| C19 | C22 | C23 | 119.7° | 119.6° |
| C19 | C22 | H35 | 120.2° | 120.2° |
| C21 | C20 | C25 | 120.4° | 121.3° |
| C20 | C21 | H34 | 119.9° | 120.2° |
| C20 | C25 | C24 | 119.3° | 119.7° |
| C20 | C25 | H38 | 120.3° | 120.1° |
| C23 | C22 | H35 | 120.2° | 120.2° |
| C22 | C23 | C24 | 120.5° | 121.0° |
| C22 | C23 | H36 | 119.7° | 119.5° |
| C24 | C23 | H36 | 119.8° | 119.5° |
| C23 | C24 | C25 | 121.9° | 121.0° |
| C23 | C24 | H37 | 119.1° | 119.5° |
| C25 | C24 | H37 | 119.1° | 119.5° |
| C24 | C25 | H38 | 120.4° | 120.2° |
| C26 | N10 | H39 | 120.5° | 120.0° |
| N10 | C26 | C27 | 110.8° | 109.5° |
| N10 | C26 | C28 | 110.9° | 109.5° |
| N10 | C26 | H40 | 108.8° | 109.6° |
| C26 | N10 | C14 | 118.9° | 119.9° |
| H39 | N10 | C14 | 120.5° | 120.0° |
| C27 | C26 | C28 | 110.0° | 109.2° |
| C27 | C26 | H40 | 108.2° | 109.5° |
| C26 | C27 | O4 | 120.5° | 121.0° |
| C26 | C27 | N11 | 116.6° | 118.0° |
| C28 | C26 | H40 | 108.0° | 109.6° |
| C26 | C28 | S1 | 112.3° | 109.3° |
| C26 | C28 | H41 | 108.8° | 109.5° |
| C26 | C28 | H42 | 108.7° | 109.5° |
| O4 | C27 | N11 | 122.9° | 121.0° |
| S1 | C28 | H41 | 108.7° | 109.5° |
| S1 | C28 | H42 | 108.7° | 109.5° |
| C28 | S1 | S2 | 103.8° | 103.3° |
| H41 | C28 | H42 | 109.5° | 109.5° |
| C29 | N11 | H43 | 119.7° | 121.9° |
| N11 | C29 | C30 | 113.2° | 108.8° |
| N11 | C29 | C31 | 109.8° | 109.6° |
| N11 | C29 | H44 | 108.6° | 109.6° |
| C29 | N11 | C27 | 120.7° | 116.2° |
| H43 | N11 | C27 | 119.6° | 121.9° |
| C30 | C29 | C31 | 109.8° | 109.6° |
| C30 | C29 | H44 | 107.7° | 109.5° |
| C29 | C30 | O5 | 120.4° | 119.6° |
| C29 | C30 | N12 | 115.4° | 120.7° |
| C31 | C29 | H44 | 107.6° | 109.7° |
| C29 | C31 | C32 | 115.5° | 109.4° |
| C29 | C31 | H45 | 107.9° | 109.5° |
| C29 | C31 | H46 | 107.9° | 109.5° |
| O5 | C30 | N12 | 124.2° | 119.6° |
| C32 | C31 | H45 | 108.0° | 109.4° |
| C32 | C31 | H46 | 107.9° | 109.5° |
| C31 | C32 | C33 | 121.4° | 119.9° |
| C31 | C32 | C34 | 120.3° | 119.9° |
| H45 | C31 | H46 | 109.5° | 109.5° |
| C33 | C32 | C34 | 118.2° | 120.2° |
| C32 | C33 | C35 | 120.9° | 120.0° |
| C32 | C33 | H47 | 119.6° | 120.0° |
| C32 | C34 | C36 | 121.5° | 120.0° |
| C32 | C34 | H48 | 119.2° | 120.0° |
| C35 | C33 | H47 | 119.5° | 120.0° |
| C33 | C35 | C37 | 119.6° | 120.0° |
| C33 | C35 | H49 | 120.2° | 120.0° |
| C36 | C34 | H48 | 119.3° | 120.0° |
| C34 | C36 | C37 | 119.7° | 120.0° |
| C34 | C36 | H50 | 120.1° | 120.0° |
| C37 | C35 | H49 | 120.2° | 120.1° |
| C35 | C37 | C36 | 120.1° | 119.9° |
| C35 | C37 | O6 | 121.3° | 120.0° |
| C37 | C36 | H50 | 120.2° | 120.0° |
| C36 | C37 | O6 | 118.6° | 120.1° |
| C37 | O6 | H51 | 109.5° | 114.0° |
| C38 | N12 | H52 | 118.2° | 121.9° |
| N12 | C38 | C39 | 110.6° | 109.1° |
| N12 | C38 | C40 | 109.6° | 109.5° |
| N12 | C38 | H53 | 109.7° | 109.5° |
| C38 | N12 | C30 | 123.5° | 116.3° |
| H52 | N12 | C30 | 118.3° | 121.8° |
| C39 | C38 | C40 | 109.2° | 109.5° |
| C39 | C38 | H53 | 108.9° | 109.5° |
| C38 | C39 | O7 | 119.8° | 120.3° |
| C38 | C39 | N14 | 116.9° | 119.4° |
| C40 | C38 | H53 | 108.7° | 109.6° |
| C38 | C40 | C41 | 115.3° | 109.5° |
| C38 | C40 | H54 | 108.0° | 109.4° |
| C38 | C40 | H55 | 108.0° | 109.5° |
| O7 | C39 | N14 | 123.2° | 120.3° |
| C41 | C40 | H54 | 108.0° | 109.5° |
| C41 | C40 | H55 | 108.0° | 109.5° |
| C40 | C41 | C42 | 112.5° | 109.5° |
| C40 | C41 | H56 | 108.7° | 109.4° |
| C40 | C41 | H57 | 108.7° | 109.4° |
| H54 | C40 | H55 | 109.5° | 109.5° |
| C42 | C41 | H56 | 108.7° | 109.5° |
| C42 | C41 | H57 | 108.7° | 109.5° |
| C41 | C42 | O8 | 120.8° | 120.0° |
| C41 | C42 | N13 | 116.5° | 120.0° |
| H56 | C41 | H57 | 109.5° | 109.5° |
| O8 | C42 | N13 | 122.6° | 120.0° |
| C42 | N13 | H58 | 120.0° | 120.0° |
| C42 | N13 | H59 | 120.0° | 120.0° |
| H58 | N13 | H59 | 120.0° | 120.0° |
| C43 | N14 | H60 | 118.7° | 122.4° |
| N14 | C43 | C44 | 109.4° | 110.5° |
| N14 | C43 | C45 | 111.1° | 109.3° |
| N14 | C43 | H61 | 109.2° | 109.3° |
| C43 | N14 | C39 | 122.5° | 115.3° |
| H60 | N14 | C39 | 118.8° | 122.3° |
| C44 | C43 | C45 | 110.3° | 109.3° |
| C44 | C43 | H61 | 108.4° | 109.3° |
| C43 | C44 | O9 | 119.9° | 120.7° |
| C43 | C44 | N16 | 117.4° | 118.5° |
| C45 | C43 | H61 | 108.4° | 109.2° |
| C43 | C45 | C46 | 115.2° | 109.5° |
| C43 | C45 | H62 | 108.0° | 109.4° |
| C43 | C45 | H63 | 108.0° | 109.4° |
| O9 | C44 | N16 | 122.7° | 120.7° |
| C46 | C45 | H62 | 108.0° | 109.5° |
| C46 | C45 | H63 | 108.1° | 109.5° |
| C45 | C46 | C47 | 112.9° | 109.5° |
| C45 | C46 | H64 | 108.6° | 109.5° |
| C45 | C46 | H65 | 108.6° | 109.5° |
| H62 | C45 | H63 | 109.5° | 109.5° |
| C47 | C46 | H64 | 108.6° | 109.5° |
| C47 | C46 | H65 | 108.6° | 109.5° |
| C46 | C47 | C48 | 111.0° | 109.5° |
| C46 | C47 | H66 | 109.1° | 109.5° |
| C46 | C47 | H67 | 109.1° | 109.4° |
| H64 | C46 | H65 | 109.4° | 109.4° |
| C48 | C47 | H66 | 109.1° | 109.4° |
| C48 | C47 | H67 | 109.1° | 109.5° |
| C47 | C48 | N15 | 113.6° | 109.4° |
| C47 | C48 | H68 | 108.4° | 109.4° |
| C47 | C48 | H69 | 108.4° | 109.5° |
| H66 | C47 | H67 | 109.5° | 109.5° |
| N15 | C48 | H68 | 108.4° | 109.5° |
| N15 | C48 | H69 | 108.5° | 109.5° |
| C48 | N15 | H70 | 109.5° | 109.4° |
| C48 | N15 | H71 | 109.4° | 109.5° |
| C48 | N15 | H72 | 109.5° | 109.4° |
| H68 | C48 | H69 | 109.4° | 109.5° |
| H70 | N15 | H71 | 109.5° | 109.5° |
| H70 | N15 | H72 | 109.4° | 109.4° |
| H71 | N15 | H72 | 109.5° | 109.5° |
| C49 | N16 | C52 | 111.2° | 109.4° |
| N16 | C49 | C50 | 103.1° | 108.2° |
| N16 | C49 | C53 | 111.4° | 112.1° |
| N16 | C49 | H73 | 111.5° | 109.3° |
| C49 | N16 | C44 | 120.4° | 126.8° |
| N16 | C52 | C51 | 103.0° | 108.2° |
| N16 | C52 | H78 | 111.1° | 109.7° |
| N16 | C52 | H79 | 111.1° | 109.7° |
| C52 | N16 | C44 | 128.1° | 123.8° |
| C50 | C49 | C53 | 109.7° | 109.4° |
| C50 | C49 | H73 | 110.4° | 109.8° |
| C49 | C50 | C51 | 104.9° | 106.8° |
| C49 | C50 | H74 | 110.6° | 110.1° |
| C49 | C50 | H75 | 110.6° | 110.0° |
| C53 | C49 | H73 | 110.5° | 108.0° |
| C49 | C53 | O10 | 119.4° | 121.6° |
| C49 | C53 | N17 | 117.7° | 116.9° |
| C51 | C50 | H74 | 110.6° | 110.0° |
| C51 | C50 | H75 | 110.6° | 110.0° |
| C50 | C51 | C52 | 104.0° | 105.3° |
| C50 | C51 | H76 | 110.9° | 110.3° |
| C50 | C51 | H77 | 110.8° | 110.3° |
| H74 | C50 | H75 | 109.5° | 109.9° |
| C52 | C51 | H76 | 110.8° | 110.2° |
| C52 | C51 | H77 | 110.8° | 110.3° |
| C51 | C52 | H78 | 111.1° | 109.8° |
| C51 | C52 | H79 | 111.0° | 109.7° |
| H76 | C51 | H77 | 109.5° | 110.4° |
| H78 | C52 | H79 | 109.5° | 109.7° |
| O10 | C53 | N17 | 122.9° | 121.5° |
| C54 | N17 | C58 | 111.6° | 108.5° |
| N17 | C54 | C55 | 112.9° | 112.0° |
| N17 | C54 | C56 | 102.9° | 107.5° |
| N17 | C54 | H80 | 110.9° | 107.7° |
| C54 | N17 | C53 | 119.7° | 125.9° |
| N17 | C58 | C57 | 103.5° | 108.3° |
| N17 | C58 | H85 | 110.9° | 109.7° |
| N17 | C58 | H86 | 110.9° | 109.8° |
| C58 | N17 | C53 | 128.7° | 125.6° |
| C55 | C54 | C56 | 110.2° | 112.0° |
| C55 | C54 | H80 | 109.9° | 108.9° |
| C54 | C55 | O11 | 119.2° | 119.5° |
| C54 | C55 | N18 | 117.2° | 121.0° |
| C56 | C54 | H80 | 109.9° | 108.6° |
| C54 | C56 | C57 | 103.7° | 104.4° |
| C54 | C56 | H81 | 110.9° | 110.4° |
| C54 | C56 | H82 | 110.9° | 110.5° |
| O11 | C55 | N18 | 123.7° | 119.5° |
| C57 | C56 | H81 | 110.9° | 110.4° |
| C57 | C56 | H82 | 110.9° | 110.5° |
| C56 | C57 | C58 | 106.3° | 106.1° |
| C56 | C57 | H83 | 110.2° | 110.2° |
| C56 | C57 | H84 | 110.3° | 110.1° |
| H81 | C56 | H82 | 109.4° | 110.5° |
| C58 | C57 | H83 | 110.3° | 110.2° |
| C58 | C57 | H84 | 110.3° | 110.1° |
| C57 | C58 | H85 | 110.9° | 109.8° |
| C57 | C58 | H86 | 110.9° | 109.7° |
| H83 | C57 | H84 | 109.5° | 110.2° |
| H85 | C58 | H86 | 109.5° | 109.6° |
| C59 | N18 | H87 | 118.5° | 121.3° |
| N18 | C59 | C60 | 114.2° | 111.8° |
| N18 | C59 | C61 | 109.7° | 109.0° |
| N18 | C59 | H88 | 108.3° | 109.0° |
| C59 | N18 | C55 | 123.1° | 117.4° |
| H87 | N18 | C55 | 118.5° | 121.3° |
| C60 | C59 | C61 | 109.2° | 109.0° |
| C60 | C59 | H88 | 107.6° | 109.0° |
| C59 | C60 | O12 | 121.0° | 121.8° |
| C59 | C60 | N19 | 115.9° | 116.3° |
| C61 | C59 | H88 | 107.5° | 109.0° |
| C59 | C61 | C62 | 112.4° | 109.5° |
| C59 | C61 | H89 | 108.8° | 109.4° |
| C59 | C61 | H90 | 108.7° | 109.5° |
| O12 | C60 | N19 | 123.1° | 121.8° |
| C62 | C61 | H89 | 108.7° | 109.4° |
| C62 | C61 | H90 | 108.7° | 109.5° |
| C61 | C62 | C63 | 120.8° | 120.0° |
| C61 | C62 | C64 | 121.1° | 119.9° |
| H89 | C61 | H90 | 109.5° | 109.5° |
| C63 | C62 | C64 | 118.1° | 120.1° |
| C62 | C63 | C65 | 121.2° | 120.1° |
| C62 | C63 | H91 | 119.4° | 119.9° |
| C62 | C64 | C66 | 120.9° | 120.1° |
| C62 | C64 | H92 | 119.5° | 119.9° |
| C65 | C63 | H91 | 119.4° | 120.0° |
| C63 | C65 | C67 | 119.4° | 119.9° |
| C63 | C65 | H93 | 120.3° | 120.0° |
| C66 | C64 | H92 | 119.5° | 120.0° |
| C64 | C66 | C67 | 119.5° | 119.9° |
| C64 | C66 | H94 | 120.3° | 120.1° |
| C67 | C65 | H93 | 120.3° | 120.1° |
| C65 | C67 | C66 | 120.8° | 119.9° |
| C65 | C67 | O13 | 119.3° | 120.1° |
| C67 | C66 | H94 | 120.2° | 120.0° |
| C66 | C67 | O13 | 120.0° | 120.0° |
| C67 | O13 | H95 | 109.5° | 113.9° |
| C68 | N19 | H96 | 118.9° | 121.0° |
| N19 | C68 | C69 | 106.7° | 108.0° |
| N19 | C68 | C70 | 112.4° | 109.8° |
| N19 | C68 | H97 | 110.1° | 109.8° |
| C68 | N19 | C60 | 122.3° | 118.0° |
| H96 | N19 | C60 | 118.8° | 121.0° |
| C69 | C68 | C70 | 109.1° | 109.8° |
| C69 | C68 | H97 | 109.3° | 109.7° |
| C68 | C69 | O14 | 119.9° | 119.7° |
| C68 | C69 | N23 | 130.7° | 120.7° |
| C70 | C68 | H97 | 109.1° | 109.8° |
| C68 | C70 | C71 | 114.1° | 109.5° |
| C68 | C70 | H98 | 108.3° | 109.5° |
| C68 | C70 | H99 | 108.3° | 109.5° |
| O14 | C69 | N23 | 108.8° | 119.7° |
| C71 | C70 | H98 | 108.3° | 109.5° |
| C71 | C70 | H99 | 108.3° | 109.5° |
| C70 | C71 | C72 | 112.2° | 109.5° |
| C70 | C71 | H100 | 108.8° | 109.5° |
| C70 | C71 | H101 | 108.8° | 109.5° |
| H98 | C70 | H99 | 109.5° | 109.4° |
| C72 | C71 | H100 | 108.8° | 109.4° |
| C72 | C71 | H101 | 108.8° | 109.5° |
| C71 | C72 | N20 | 111.1° | 109.5° |
| C71 | C72 | H102 | 109.1° | 109.4° |
| C71 | C72 | H103 | 109.1° | 109.5° |
| H100 | C71 | H101 | 109.5° | 109.5° |
| N20 | C72 | H102 | 109.0° | 109.5° |
| N20 | C72 | H103 | 109.1° | 109.5° |
| C72 | N20 | C73 | 125.1° | 120.0° |
| C72 | N20 | H104 | 117.5° | 120.0° |
| H102 | C72 | H103 | 109.4° | 109.4° |
| C73 | N20 | H104 | 117.4° | 120.0° |
| N20 | C73 | N21 | 119.5° | 120.0° |
| N20 | C73 | N22 | 121.3° | 120.0° |
| N21 | C73 | N22 | 119.2° | 120.0° |
| C73 | N21 | H105 | 120.0° | 120.0° |
| C73 | N21 | H106 | 120.0° | 120.0° |
| C73 | N22 | H107 | 120.0° | 119.9° |
| C73 | N22 | H108 | 120.0° | 120.0° |
| H105 | N21 | H106 | 120.0° | 120.1° |
| H107 | N22 | H108 | 120.0° | 120.1° |
| O15 | C74 | C75 | 116.0° | 120.3° |
| O15 | C74 | N26 | 125.5° | 120.2° |
| C74 | C75 | N23 | 108.2° | 109.8° |
| C74 | C75 | C76 | 108.7° | 109.4° |
| C74 | C75 | H109 | 110.4° | 109.4° |
| C75 | C74 | N26 | 118.3° | 119.5° |
| N23 | C75 | C76 | 108.4° | 109.4° |
| N23 | C75 | H109 | 111.0° | 109.5° |
| C75 | N23 | H110 | 111.8° | 121.6° |
| C75 | N23 | C69 | 136.4° | 116.8° |
| C76 | C75 | H109 | 110.1° | 109.4° |
| C75 | C76 | C77 | 111.1° | 109.4° |
| C75 | C76 | H111 | 109.1° | 109.5° |
| C75 | C76 | H112 | 109.1° | 109.5° |
| H110 | N23 | C69 | 111.8° | 121.6° |
| C77 | C76 | H111 | 109.0° | 109.5° |
| C77 | C76 | H112 | 109.0° | 109.5° |
| C76 | C77 | C78 | 110.3° | 109.4° |
| C76 | C77 | H113 | 109.3° | 109.4° |
| C76 | C77 | H114 | 109.3° | 109.4° |
| H111 | C76 | H112 | 109.5° | 109.5° |
| C78 | C77 | H113 | 109.3° | 109.5° |
| C78 | C77 | H114 | 109.3° | 109.5° |
| C77 | C78 | N24 | 112.1° | 109.4° |
| C77 | C78 | H115 | 108.8° | 109.5° |
| C77 | C78 | H116 | 108.8° | 109.5° |
| H113 | C77 | H114 | 109.5° | 109.5° |
| N24 | C78 | H115 | 108.8° | 109.5° |
| N24 | C78 | H116 | 108.8° | 109.5° |
| C78 | N24 | C79 | 120.5° | 120.0° |
| C78 | N24 | H117 | 119.7° | 120.1° |
| H115 | C78 | H116 | 109.5° | 109.5° |
| C79 | N24 | H117 | 119.7° | 119.9° |
| N24 | C79 | O16 | 120.8° | 120.0° |
| N24 | C79 | N25 | 118.3° | 120.0° |
| O16 | C79 | N25 | 121.0° | 120.0° |
| C79 | N25 | H118 | 120.0° | 120.0° |
| C79 | N25 | H119 | 120.0° | 120.0° |
| H118 | N25 | H119 | 120.0° | 120.0° |
| C80 | N26 | H120 | 122.4° | 122.1° |
| N26 | C80 | C81 | 110.9° | 109.5° |
| N26 | C80 | C82 | 110.4° | 109.1° |
| N26 | C80 | H121 | 108.7° | 109.5° |
| C80 | N26 | C74 | 115.1° | 116.1° |
| H120 | N26 | C74 | 122.5° | 121.8° |
| C81 | C80 | C82 | 111.1° | 109.5° |
| C81 | C80 | H121 | 107.8° | 109.5° |
| C80 | C81 | O17 | 121.1° | 120.0° |
| C80 | C81 | N27 | 116.0° | 120.0° |
| C82 | C80 | H121 | 107.8° | 109.7° |
| C80 | C82 | S2 | 114.8° | 109.4° |
| C80 | C82 | H122 | 108.1° | 109.5° |
| C80 | C82 | H123 | 108.1° | 109.5° |
| O17 | C81 | N27 | 122.9° | 120.0° |
| S2 | C82 | H122 | 108.1° | 109.5° |
| S2 | C82 | H123 | 108.1° | 109.5° |
| C82 | S2 | S1 | 106.3° | 103.3° |
| H122 | C82 | H123 | 109.5° | 109.5° |
| C83 | N27 | H124 | 119.0° | 120.0° |
| N27 | C83 | C84 | 113.4° | 109.5° |
| N27 | C83 | C85 | 110.0° | 109.4° |
| N27 | C83 | H125 | 108.3° | 109.5° |
| C83 | N27 | C81 | 122.0° | 120.0° |
| H124 | N27 | C81 | 119.0° | 120.0° |
| C84 | C83 | C85 | 110.1° | 109.5° |
| C84 | C83 | H125 | 107.4° | 109.5° |
| C83 | C84 | O18 | 120.5° | 120.0° |
| C83 | C84 | N31 | 117.2° | 120.0° |
| C85 | C83 | H125 | 107.4° | 109.5° |
| C83 | C85 | C86 | 114.1° | 109.4° |
| C83 | C85 | H126 | 108.3° | 109.5° |
| C83 | C85 | H127 | 108.3° | 109.4° |
| O18 | C84 | N31 | 122.4° | 120.0° |
| C86 | C85 | H126 | 108.3° | 109.5° |
| C86 | C85 | H127 | 108.3° | 109.5° |
| C85 | C86 | C87 | 111.4° | 109.5° |
| C85 | C86 | H128 | 109.0° | 109.5° |
| C85 | C86 | H129 | 109.0° | 109.5° |
| H126 | C85 | H127 | 109.5° | 109.5° |
| C87 | C86 | H128 | 109.0° | 109.4° |
| C87 | C86 | H129 | 109.0° | 109.4° |
| C86 | C87 | N28 | 112.5° | 109.5° |
| C86 | C87 | H130 | 108.7° | 109.5° |
| C86 | C87 | H131 | 108.7° | 109.5° |
| H128 | C86 | H129 | 109.4° | 109.5° |
| N28 | C87 | H130 | 108.7° | 109.5° |
| N28 | C87 | H131 | 108.7° | 109.5° |
| C87 | N28 | C88 | 124.1° | 120.0° |
| C87 | N28 | H132 | 118.0° | 120.0° |
| H130 | C87 | H131 | 109.5° | 109.4° |
| C88 | N28 | H132 | 117.9° | 120.0° |
| N28 | C88 | N29 | 120.0° | 120.0° |
| N28 | C88 | N30 | 120.5° | 120.0° |
| N29 | C88 | N30 | 119.5° | 120.0° |
| C88 | N29 | H133 | 120.0° | 120.0° |
| C88 | N29 | H134 | 120.0° | 120.0° |
| C88 | N30 | H135 | 120.0° | 120.0° |
| C88 | N30 | H136 | 120.0° | 120.0° |
| H133 | N29 | H134 | 120.0° | 120.0° |
| H135 | N30 | H136 | 120.0° | 120.0° |
| C89 | N31 | H137 | 119.8° | 120.0° |
| N31 | C89 | C90 | 111.2° | 109.5° |
| N31 | C89 | H138 | 109.1° | 109.5° |
| N31 | C89 | H139 | 109.1° | 109.4° |
| C89 | N31 | C84 | 120.4° | 120.0° |
| H137 | N31 | C84 | 119.8° | 120.0° |
| C90 | C89 | H138 | 109.0° | 109.5° |
| C90 | C89 | H139 | 109.0° | 109.5° |
| C89 | C90 | O19 | 120.7° | 119.9° |
| C89 | C90 | N32 | 116.1° | 120.0° |
| H138 | C89 | H139 | 109.4° | 109.5° |
| O19 | C90 | N32 | 123.2° | 120.0° |
| C91 | N32 | C94 | 111.2° | 108.7° |
| N32 | C91 | C92 | 103.4° | 107.2° |
| N32 | C91 | C95 | 108.1° | 109.9° |
| N32 | C91 | H140 | 112.1° | 109.9° |
| C91 | N32 | C90 | 122.0° | 125.6° |
| N32 | C94 | C93 | 102.0° | 104.7° |
| N32 | C94 | H145 | 111.3° | 110.4° |
| N32 | C94 | H146 | 111.3° | 110.3° |
| C94 | N32 | C90 | 126.2° | 125.6° |
| C92 | C91 | C95 | 111.3° | 109.9° |
| C92 | C91 | H140 | 110.8° | 109.9° |
| C91 | C92 | C93 | 106.0° | 103.0° |
| C91 | C92 | H141 | 110.3° | 110.7° |
| C91 | C92 | H142 | 110.4° | 110.7° |
| C95 | C91 | H140 | 110.8° | 110.0° |
| C91 | C95 | O20 | 122.5° | 120.0° |
| C91 | C95 | O21 | 120.1° | 120.0° |
| C93 | C92 | H141 | 110.3° | 110.7° |
| C93 | C92 | H142 | 110.3° | 110.8° |
| C92 | C93 | C94 | 107.4° | 101.4° |
| C92 | C93 | H143 | 110.0° | 111.1° |
| C92 | C93 | H144 | 110.0° | 111.0° |
| H141 | C92 | H142 | 109.4° | 110.7° |
| C94 | C93 | H143 | 110.0° | 111.2° |
| C94 | C93 | H144 | 110.0° | 110.8° |
| C93 | C94 | H145 | 111.3° | 110.5° |
| C93 | C94 | H146 | 111.3° | 110.3° |
| H143 | C93 | H144 | 109.5° | 110.9° |
| H145 | C94 | H146 | 109.4° | 110.5° |
| O20 | C95 | O21 | 117.4° | 120.0° |
| C95 | O21 | H147 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C1 | C2 | C3 | 121.4° | 120.1° |
| N1 | C1 | C2 | H3 | 119.1° | 120.0° |
| N1 | C1 | C3 | H3 | 120.7° | 120.0° |
| N1 | C1 | C2 | O1 | 57.9° | 20.0° |
| N1 | C1 | C3 | C4 | 100.4° | 65.0° |
| N1 | C1 | C3 | H4 | 20.2° | 55.0° |
| N1 | C1 | C3 | H5 | 138.9° | 175.0° |
| N1 | C1 | C2 | N5 | 123.1° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 60.0° |
| H1 | N1 | C1 | C3 | 59.3° | 60.0° |
| H1 | N1 | C1 | H3 | 61.1° | 180.0° |
| H2 | N1 | C1 | C2 | 60.0° | 176.0° |
| H2 | N1 | C1 | C3 | 179.3° | 63.9° |
| H2 | N1 | C1 | H3 | 58.9° | 56.1° |
| C2 | C1 | C3 | H3 | 119.7° | 120.0° |
| C1 | C2 | O1 | N5 | 179.0° | 180.0° |
| C2 | C1 | C3 | C4 | 140.0° | 175.0° |
| C2 | C1 | C3 | H4 | 99.4° | 65.0° |
| C2 | C1 | C3 | H5 | 19.3° | 55.0° |
| C1 | C2 | N5 | C7 | 172.0° | 180.0° |
| C1 | C2 | N5 | H15 | 8.1° | 0.0° |
| C3 | C1 | C2 | O1 | 63.5° | 100.0° |
| C1 | C3 | C4 | H4 | 120.7° | 120.0° |
| C1 | C3 | C4 | H5 | 120.7° | 120.1° |
| C1 | C3 | H4 | H5 | 117.9° | 120.1° |
| C1 | C3 | C4 | C5 | 175.3° | 180.0° |
| C1 | C3 | C4 | H6 | 54.9° | 60.0° |
| C1 | C3 | C4 | H7 | 64.2° | 60.0° |
| C3 | C1 | C2 | N5 | 115.5° | 80.0° |
| H3 | C1 | C2 | O1 | 176.9° | 140.0° |
| H3 | C1 | C3 | C4 | 20.2° | 55.0° |
| H3 | C1 | C3 | H4 | 140.9° | 175.0° |
| H3 | C1 | C3 | H5 | 100.5° | 65.0° |
| H3 | C1 | C2 | N5 | 4.0° | 40.0° |
| O1 | C2 | N5 | C7 | 9.0° | 0.0° |
| O1 | C2 | N5 | H15 | 170.9° | 180.0° |
| C4 | C3 | H4 | H5 | 117.9° | 119.9° |
| C3 | C4 | C5 | H6 | 120.5° | 120.1° |
| C3 | C4 | C5 | H7 | 120.5° | 120.0° |
| C3 | C4 | H6 | H7 | 118.6° | 120.0° |
| C3 | C4 | C5 | N2 | 36.3° | 180.0° |
| C3 | C4 | C5 | H8 | 84.1° | 59.9° |
| C3 | C4 | C5 | H9 | 156.6° | 60.0° |
| H4 | C3 | C4 | C5 | 64.0° | 60.0° |
| H4 | C3 | C4 | H6 | 175.5° | 180.0° |
| H4 | C3 | C4 | H7 | 56.5° | 60.0° |
| H5 | C3 | C4 | C5 | 54.7° | 60.0° |
| H5 | C3 | C4 | H6 | 65.8° | 60.1° |
| H5 | C3 | C4 | H7 | 175.1° | 180.0° |
| C5 | C4 | H6 | H7 | 118.6° | 120.0° |
| C4 | C5 | N2 | H8 | 120.3° | 120.0° |
| C4 | C5 | N2 | H9 | 120.3° | 120.0° |
| C4 | C5 | H8 | H9 | 119.0° | 119.9° |
| C4 | C5 | N2 | C6 | 144.2° | 180.0° |
| C4 | C5 | N2 | H10 | 35.7° | 0.0° |
| H6 | C4 | C5 | N2 | 156.7° | 60.0° |
| H6 | C4 | C5 | H8 | 36.4° | 180.0° |
| H6 | C4 | C5 | H9 | 82.9° | 60.1° |
| H7 | C4 | C5 | N2 | 84.2° | 60.0° |
| H7 | C4 | C5 | H8 | 155.5° | 60.0° |
| H7 | C4 | C5 | H9 | 36.2° | 179.9° |
| N2 | C5 | H8 | H9 | 119.0° | 120.0° |
| C5 | N2 | C6 | H10 | 180.0° | 180.0° |
| C5 | N2 | C6 | N3 | 179.9° | 0.0° |
| C5 | N2 | C6 | N4 | 0.1° | 180.0° |
| H8 | C5 | N2 | C6 | 95.4° | 60.0° |
| H8 | C5 | N2 | H10 | 84.6° | 120.0° |
| H9 | C5 | N2 | C6 | 23.9° | 60.0° |
| H9 | C5 | N2 | H10 | 156.1° | 120.0° |
| N2 | C6 | N3 | N4 | 179.8° | 180.0° |
| N2 | C6 | N3 | H11 | 179.8° | 0.0° |
| N2 | C6 | N3 | H12 | 0.2° | 180.0° |
| N2 | C6 | N4 | H13 | 179.8° | 0.0° |
| N2 | C6 | N4 | H14 | 0.2° | 180.0° |
| H10 | N2 | C6 | N3 | 0.1° | 180.0° |
| H10 | N2 | C6 | N4 | 179.9° | 0.0° |
| C6 | N3 | H11 | H12 | 180.0° | 180.0° |
| N3 | C6 | N4 | H13 | 0.0° | 180.0° |
| N3 | C6 | N4 | H14 | 180.0° | 0.0° |
| N4 | C6 | N3 | H11 | 0.0° | 180.0° |
| N4 | C6 | N3 | H12 | 180.0° | 0.0° |
| C6 | N4 | H13 | H14 | 180.0° | 180.0° |
| C7 | N5 | H15 | C2 | 180.0° | 180.0° |
| N5 | C7 | C8 | C9 | 124.3° | 120.0° |
| N5 | C7 | C8 | H16 | 119.5° | 120.0° |
| N5 | C7 | C9 | H16 | 117.3° | 120.0° |
| N5 | C7 | C8 | O2 | 164.5° | 0.0° |
| N5 | C7 | C9 | C10 | 74.0° | 65.0° |
| N5 | C7 | C9 | H17 | 46.4° | 55.0° |
| N5 | C7 | C9 | H18 | 165.6° | 175.0° |
| N5 | C7 | C8 | N9 | 12.8° | 180.0° |
| H15 | N5 | C7 | C8 | 97.0° | 25.0° |
| H15 | N5 | C7 | C9 | 27.0° | 95.0° |
| H15 | N5 | C7 | H16 | 143.8° | 145.0° |
| C8 | C7 | C9 | H16 | 116.2° | 120.0° |
| C7 | C8 | O2 | N9 | 178.0° | 180.0° |
| C8 | C7 | C9 | C10 | 159.5° | 175.0° |
| C8 | C7 | C9 | H17 | 80.1° | 65.0° |
| C8 | C7 | C9 | H18 | 39.1° | 55.0° |
| C7 | C8 | N9 | C13 | 171.1° | 180.0° |
| C7 | C8 | N9 | H28 | 8.9° | 0.0° |
| C8 | C7 | N5 | C2 | 83.0° | 155.0° |
| C9 | C7 | C8 | O2 | 71.2° | 120.0° |
| C7 | C9 | C10 | H17 | 120.4° | 120.0° |
| C7 | C9 | C10 | H18 | 120.4° | 120.0° |
| C7 | C9 | H17 | H18 | 118.8° | 120.0° |
| C7 | C9 | C10 | C11 | 174.8° | 179.9° |
| C7 | C9 | C10 | H19 | 54.2° | 60.0° |
| C7 | C9 | C10 | H20 | 64.7° | 60.0° |
| C9 | C7 | N5 | C2 | 153.0° | 85.0° |
| C9 | C7 | C8 | N9 | 111.5° | 60.0° |
| H16 | C7 | C8 | O2 | 45.0° | 120.0° |
| H16 | C7 | C9 | C10 | 43.3° | 55.0° |
| H16 | C7 | C9 | H17 | 163.7° | 175.0° |
| H16 | C7 | C9 | H18 | 77.1° | 65.0° |
| H16 | C7 | N5 | C2 | 36.2° | 35.0° |
| H16 | C7 | C8 | N9 | 132.3° | 60.0° |
| O2 | C8 | N9 | C13 | 11.3° | 0.0° |
| O2 | C8 | N9 | H28 | 168.6° | 180.0° |
| C10 | C9 | H17 | H18 | 118.7° | 120.0° |
| C9 | C10 | C11 | H19 | 120.5° | 120.0° |
| C9 | C10 | C11 | H20 | 120.6° | 120.0° |
| C9 | C10 | H19 | H20 | 118.3° | 120.0° |
| C9 | C10 | C11 | N6 | 85.4° | 180.0° |
| C9 | C10 | C11 | H21 | 153.8° | 59.9° |
| C9 | C10 | C11 | H22 | 35.4° | 60.0° |
| H17 | C9 | C10 | C11 | 64.8° | 60.0° |
| H17 | C9 | C10 | H19 | 174.7° | 180.0° |
| H17 | C9 | C10 | H20 | 55.7° | 60.0° |
| H18 | C9 | C10 | C11 | 54.4° | 60.0° |
| H18 | C9 | C10 | H19 | 66.2° | 60.0° |
| H18 | C9 | C10 | H20 | 174.9° | 180.0° |
| C11 | C10 | H19 | H20 | 118.3° | 120.0° |
| C10 | C11 | N6 | H21 | 120.8° | 120.0° |
| C10 | C11 | N6 | H22 | 120.8° | 119.9° |
| C10 | C11 | H21 | H22 | 117.5° | 119.9° |
| C10 | C11 | N6 | C12 | 66.4° | 179.9° |
| C10 | C11 | N6 | H23 | 113.7° | 0.0° |
| H19 | C10 | C11 | N6 | 35.2° | 60.0° |
| H19 | C10 | C11 | H21 | 85.6° | 180.0° |
| H19 | C10 | C11 | H22 | 156.0° | 60.0° |
| H20 | C10 | C11 | N6 | 154.1° | 60.0° |
| H20 | C10 | C11 | H21 | 33.3° | 60.0° |
| H20 | C10 | C11 | H22 | 85.1° | 180.0° |
| N6 | C11 | H21 | H22 | 117.5° | 120.0° |
| C11 | N6 | C12 | H23 | 180.0° | 179.9° |
| C11 | N6 | C12 | N7 | 1.6° | 0.0° |
| C11 | N6 | C12 | N8 | 179.5° | 180.0° |
| H21 | C11 | N6 | C12 | 54.4° | 60.0° |
| H21 | C11 | N6 | H23 | 125.6° | 120.1° |
| H22 | C11 | N6 | C12 | 172.8° | 60.0° |
| H22 | C11 | N6 | H23 | 7.2° | 119.9° |
| N6 | C12 | N7 | N8 | 178.9° | 180.0° |
| N6 | C12 | N7 | H24 | 179.0° | 0.0° |
| N6 | C12 | N7 | H25 | 1.0° | 180.0° |
| N6 | C12 | N8 | H26 | 179.0° | 0.0° |
| N6 | C12 | N8 | H27 | 1.0° | 180.0° |
| H23 | N6 | C12 | N7 | 178.4° | 180.0° |
| H23 | N6 | C12 | N8 | 0.5° | 0.1° |
| C12 | N7 | H24 | H25 | 180.0° | 179.9° |
| N7 | C12 | N8 | H26 | 0.0° | 180.0° |
| N7 | C12 | N8 | H27 | 180.0° | 0.0° |
| N8 | C12 | N7 | H24 | 0.0° | 180.0° |
| N8 | C12 | N7 | H25 | 180.0° | 0.0° |
| C12 | N8 | H26 | H27 | 180.0° | 180.0° |
| C13 | N9 | H28 | C8 | 180.0° | 180.0° |
| N9 | C13 | C14 | C15 | 121.2° | 120.0° |
| N9 | C13 | C14 | H29 | 119.1° | 120.0° |
| N9 | C13 | C15 | H29 | 120.9° | 120.0° |
| N9 | C13 | C14 | O3 | 118.3° | 0.0° |
| N9 | C13 | C15 | C16 | 58.9° | 65.0° |
| N9 | C13 | C15 | H30 | 61.7° | 55.0° |
| N9 | C13 | C15 | H31 | 179.6° | 175.0° |
| N9 | C13 | C14 | N10 | 59.5° | 180.0° |
| H28 | N9 | C13 | C14 | 48.4° | 25.0° |
| H28 | N9 | C13 | C15 | 72.5° | 95.0° |
| H28 | N9 | C13 | H29 | 167.2° | 145.0° |
| C14 | C13 | C15 | H29 | 119.9° | 120.0° |
| C13 | C14 | O3 | N10 | 177.9° | 180.0° |
| C14 | C13 | C15 | C16 | 178.2° | 175.0° |
| C14 | C13 | C15 | H30 | 57.5° | 65.0° |
| C14 | C13 | C15 | H31 | 61.1° | 55.0° |
| C13 | C14 | N10 | C26 | 179.6° | 180.0° |
| C13 | C14 | N10 | H39 | 0.4° | 0.0° |
| C14 | C13 | N9 | C8 | 131.5° | 155.0° |
| C15 | C13 | C14 | O3 | 2.9° | 120.0° |
| C13 | C15 | C16 | H30 | 120.7° | 120.0° |
| C13 | C15 | C16 | H31 | 120.7° | 120.0° |
| C13 | C15 | H30 | H31 | 117.9° | 120.0° |
| C13 | C15 | C16 | C17 | 108.8° | 95.0° |
| C13 | C15 | C16 | C19 | 72.2° | 84.7° |
| C15 | C13 | N9 | C8 | 107.5° | 85.0° |
| C15 | C13 | C14 | N10 | 179.3° | 60.0° |
| H29 | C13 | C14 | O3 | 122.5° | 120.0° |
| H29 | C13 | C15 | C16 | 61.9° | 55.0° |
| H29 | C13 | C15 | H30 | 177.4° | 174.9° |
| H29 | C13 | C15 | H31 | 58.8° | 65.0° |
| H29 | C13 | N9 | C8 | 12.8° | 35.0° |
| H29 | C13 | C14 | N10 | 59.6° | 60.0° |
| O3 | C14 | N10 | C26 | 2.5° | 0.0° |
| O3 | C14 | N10 | H39 | 177.5° | 180.0° |
| C16 | C15 | H30 | H31 | 117.9° | 120.0° |
| C15 | C16 | C17 | C19 | 179.1° | 179.7° |
| C15 | C16 | C17 | C18 | 179.7° | 180.0° |
| C15 | C16 | C17 | H32 | 0.3° | 0.0° |
| C15 | C16 | C19 | C20 | 179.7° | 180.0° |
| C15 | C16 | C19 | C22 | 0.5° | 0.0° |
| H30 | C15 | C16 | C17 | 11.9° | 145.0° |
| H30 | C15 | C16 | C19 | 167.1° | 35.3° |
| H31 | C15 | C16 | C17 | 130.5° | 25.0° |
| H31 | C15 | C16 | C19 | 48.5° | 155.3° |
| C16 | C17 | C18 | H32 | 180.0° | 180.0° |
| C16 | C17 | C18 | C21 | 0.6° | 0.0° |
| C16 | C17 | C18 | H33 | 179.5° | 179.9° |
| C17 | C16 | C19 | C20 | 0.7° | 0.3° |
| C17 | C16 | C19 | C22 | 179.5° | 179.7° |
| C19 | C16 | C17 | C18 | 0.7° | 0.3° |
| C19 | C16 | C17 | H32 | 179.3° | 179.7° |
| C16 | C19 | C20 | C22 | 179.8° | 180.0° |
| C16 | C19 | C20 | C21 | 0.6° | 0.1° |
| C16 | C19 | C20 | C25 | 179.6° | 180.0° |
| C16 | C19 | C22 | C23 | 179.4° | 180.0° |
| C16 | C19 | C22 | H35 | 0.6° | 0.0° |
| C17 | C18 | C21 | H33 | 180.0° | 179.9° |
| C17 | C18 | C21 | C20 | 0.4° | 0.3° |
| C17 | C18 | C21 | H34 | 179.6° | 179.9° |
| H32 | C17 | C18 | C21 | 179.5° | 180.0° |
| H32 | C17 | C18 | H33 | 0.5° | 0.1° |
| C18 | C21 | C20 | C19 | 0.4° | 0.3° |
| C18 | C21 | C20 | H34 | 180.0° | 179.8° |
| C18 | C21 | C20 | C25 | 179.8° | 179.6° |
| H33 | C18 | C21 | C20 | 179.6° | 179.8° |
| H33 | C18 | C21 | H34 | 0.4° | 0.0° |
| C19 | C20 | C21 | C25 | 179.8° | 179.9° |
| C19 | C20 | C21 | H34 | 179.5° | 180.0° |
| C20 | C19 | C22 | C23 | 0.4° | 0.0° |
| C20 | C19 | C22 | H35 | 179.6° | 180.0° |
| C19 | C20 | C25 | C24 | 0.1° | 0.1° |
| C19 | C20 | C25 | H38 | 179.9° | 180.0° |
| C22 | C19 | C20 | C21 | 179.6° | 180.0° |
| C22 | C19 | C20 | C25 | 0.2° | 0.1° |
| C19 | C22 | C23 | H35 | 180.0° | 180.0° |
| C19 | C22 | C23 | C24 | 0.4° | 0.0° |
| C19 | C22 | C23 | H36 | 179.6° | 180.0° |
| C21 | C20 | C25 | C24 | 179.8° | 180.0° |
| C21 | C20 | C25 | H38 | 0.1° | 0.1° |
| C25 | C20 | C21 | H34 | 0.2° | 0.1° |
| C20 | C25 | C24 | C23 | 0.1° | 0.1° |
| C20 | C25 | C24 | H38 | 180.0° | 179.9° |
| C20 | C25 | C24 | H37 | 179.9° | 180.0° |
| C22 | C23 | C24 | H36 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.2° | 0.1° |
| C22 | C23 | C24 | H37 | 179.8° | 180.0° |
| H35 | C22 | C23 | C24 | 179.6° | 180.0° |
| H35 | C22 | C23 | H36 | 0.4° | 0.0° |
| C23 | C24 | C25 | H37 | 180.0° | 179.9° |
| C23 | C24 | C25 | H38 | 179.9° | 180.0° |
| H36 | C23 | C24 | C25 | 179.8° | 179.9° |
| H36 | C23 | C24 | H37 | 0.2° | 0.0° |
| H37 | C24 | C25 | H38 | 0.1° | 0.1° |
| C26 | N10 | H39 | C14 | 180.0° | 180.0° |
| N10 | C26 | C27 | C28 | 123.0° | 119.9° |
| N10 | C26 | C27 | H40 | 119.2° | 120.2° |
| N10 | C26 | C28 | H40 | 119.1° | 120.2° |
| N10 | C26 | C27 | O4 | 15.5° | 148.5° |
| N10 | C26 | C28 | S1 | 58.2° | 89.9° |
| N10 | C26 | C28 | H41 | 62.3° | 30.0° |
| N10 | C26 | C28 | H42 | 178.6° | 150.1° |
| N10 | C26 | C27 | N11 | 164.0° | 31.5° |
| H39 | N10 | C26 | C27 | 87.6° | 95.0° |
| H39 | N10 | C26 | C28 | 34.9° | 24.7° |
| H39 | N10 | C26 | H40 | 153.5° | 144.9° |
| C27 | C26 | C28 | H40 | 117.9° | 119.9° |
| C26 | C27 | O4 | N11 | 179.5° | 180.0° |
| C27 | C26 | C28 | S1 | 178.8° | 150.2° |
| C27 | C26 | C28 | H41 | 60.7° | 89.8° |
| C27 | C26 | C28 | H42 | 58.4° | 30.3° |
| C26 | C27 | N11 | C29 | 177.1° | 179.6° |
| C26 | C27 | N11 | H43 | 2.9° | 0.4° |
| C27 | C26 | N10 | C14 | 92.4° | 85.0° |
| C28 | C26 | C27 | O4 | 107.5° | 28.6° |
| C26 | C28 | S1 | H41 | 120.5° | 119.9° |
| C26 | C28 | S1 | H42 | 120.4° | 119.9° |
| C26 | C28 | H41 | H42 | 118.7° | 120.0° |
| C28 | C26 | N10 | C14 | 145.1° | 155.3° |
| C28 | C26 | C27 | N11 | 72.9° | 151.3° |
| C26 | C28 | S1 | S2 | 79.3° | 163.2° |
| H40 | C26 | C27 | O4 | 134.7° | 91.4° |
| H40 | C26 | C28 | S1 | 60.9° | 30.3° |
| H40 | C26 | C28 | H41 | 178.6° | 150.2° |
| H40 | C26 | C28 | H42 | 59.5° | 89.7° |
| H40 | C26 | N10 | C14 | 26.4° | 35.1° |
| H40 | C26 | C27 | N11 | 44.8° | 88.7° |
| O4 | C27 | N11 | C29 | 2.4° | 0.4° |
| O4 | C27 | N11 | H43 | 177.6° | 179.6° |
| S1 | C28 | H41 | H42 | 118.7° | 120.2° |
| C28 | S1 | S2 | C82 | 94.7° | 75.3° |
| H41 | C28 | S1 | S2 | 160.2° | 76.9° |
| H42 | C28 | S1 | S2 | 41.1° | 43.3° |
| C29 | N11 | H43 | C27 | 180.0° | 180.0° |
| N11 | C29 | C30 | C31 | 123.1° | 119.8° |
| N11 | C29 | C30 | H44 | 120.0° | 119.8° |
| N11 | C29 | C31 | H44 | 118.0° | 120.4° |
| N11 | C29 | C30 | O5 | 8.5° | 55.1° |
| N11 | C29 | C31 | C32 | 62.3° | 74.3° |
| N11 | C29 | C31 | H45 | 176.8° | 165.8° |
| N11 | C29 | C31 | H46 | 58.6° | 45.7° |
| N11 | C29 | C30 | N12 | 171.6° | 124.9° |
| H43 | N11 | C29 | C30 | 8.2° | 48.1° |
| H43 | N11 | C29 | C31 | 114.9° | 167.9° |
| H43 | N11 | C29 | H44 | 127.7° | 71.7° |
| C30 | C29 | C31 | H44 | 116.9° | 120.3° |
| C29 | C30 | O5 | N12 | 179.8° | 180.0° |
| C30 | C29 | C31 | C32 | 62.8° | 45.1° |
| C30 | C29 | C31 | H45 | 58.1° | 74.8° |
| C30 | C29 | C31 | H46 | 176.4° | 165.1° |
| C29 | C30 | N12 | C38 | 179.5° | 173.4° |
| C29 | C30 | N12 | H52 | 0.5° | 6.6° |
| C30 | C29 | N11 | C27 | 171.8° | 132.0° |
| C31 | C29 | C30 | O5 | 114.6° | 175.0° |
| C29 | C31 | C32 | H45 | 120.9° | 119.9° |
| C29 | C31 | C32 | H46 | 120.9° | 120.0° |
| C29 | C31 | H45 | H46 | 117.2° | 120.0° |
| C29 | C31 | C32 | C33 | 74.6° | 138.7° |
| C29 | C31 | C32 | C34 | 107.7° | 41.7° |
| C31 | C29 | N11 | C27 | 65.1° | 12.1° |
| C31 | C29 | C30 | N12 | 65.3° | 5.0° |
| H44 | C29 | C30 | O5 | 128.6° | 64.6° |
| H44 | C29 | C31 | C32 | 179.7° | 165.4° |
| H44 | C29 | C31 | H45 | 58.8° | 45.5° |
| H44 | C29 | C31 | H46 | 59.4° | 74.6° |
| H44 | C29 | N11 | C27 | 52.3° | 108.3° |
| H44 | C29 | C30 | N12 | 51.6° | 115.4° |
| O5 | C30 | N12 | C38 | 0.6° | 6.6° |
| O5 | C30 | N12 | H52 | 179.4° | 173.4° |
| C32 | C31 | H45 | H46 | 117.3° | 120.0° |
| C31 | C32 | C33 | C34 | 177.8° | 179.7° |
| C31 | C32 | C33 | C35 | 178.9° | 180.0° |
| C31 | C32 | C33 | H47 | 1.1° | 0.1° |
| C31 | C32 | C34 | C36 | 178.8° | 180.0° |
| C31 | C32 | C34 | H48 | 1.2° | 0.0° |
| H45 | C31 | C32 | C33 | 164.5° | 18.7° |
| H45 | C31 | C32 | C34 | 13.2° | 161.6° |
| H46 | C31 | C32 | C33 | 46.3° | 101.3° |
| H46 | C31 | C32 | C34 | 131.5° | 78.3° |
| C32 | C33 | C35 | H47 | 180.0° | 180.0° |
| C33 | C32 | C34 | C36 | 1.0° | 0.3° |
| C33 | C32 | C34 | H48 | 179.0° | 179.7° |
| C32 | C33 | C35 | C37 | 0.9° | 0.0° |
| C32 | C33 | C35 | H49 | 179.0° | 180.0° |
| C34 | C32 | C33 | C35 | 1.1° | 0.3° |
| C34 | C32 | C33 | H47 | 178.9° | 179.7° |
| C32 | C34 | C36 | H48 | 180.0° | 180.0° |
| C32 | C34 | C36 | C37 | 0.7° | 0.0° |
| C32 | C34 | C36 | H50 | 179.3° | 179.9° |
| C33 | C35 | C37 | H49 | 180.0° | 179.9° |
| C33 | C35 | C37 | C36 | 0.6° | 0.2° |
| C33 | C35 | C37 | O6 | 179.7° | 180.0° |
| H47 | C33 | C35 | C37 | 179.1° | 180.0° |
| H47 | C33 | C35 | H49 | 1.0° | 0.0° |
| C34 | C36 | C37 | C35 | 0.5° | 0.3° |
| C34 | C36 | C37 | H50 | 180.0° | 179.9° |
| C34 | C36 | C37 | O6 | 179.8° | 180.0° |
| H48 | C34 | C36 | C37 | 179.3° | 180.0° |
| H48 | C34 | C36 | H50 | 0.7° | 0.1° |
| C35 | C37 | C36 | O6 | 179.7° | 179.8° |
| C35 | C37 | C36 | H50 | 179.5° | 179.7° |
| C35 | C37 | O6 | H51 | 180.0° | 90.0° |
| H49 | C35 | C37 | C36 | 179.4° | 179.7° |
| H49 | C35 | C37 | O6 | 0.3° | 0.1° |
| C36 | C37 | O6 | H51 | 0.3° | 89.7° |
| H50 | C36 | C37 | O6 | 0.2° | 0.1° |
| C38 | N12 | H52 | C30 | 180.0° | 180.0° |
| N12 | C38 | C39 | C40 | 120.8° | 119.9° |
| N12 | C38 | C39 | H53 | 120.6° | 119.9° |
| N12 | C38 | C40 | H53 | 119.9° | 120.2° |
| N12 | C38 | C39 | O7 | 61.0° | 49.4° |
| N12 | C38 | C40 | C41 | 173.1° | 177.1° |
| N12 | C38 | C40 | H54 | 52.2° | 62.9° |
| N12 | C38 | C40 | H55 | 66.0° | 57.1° |
| N12 | C38 | C39 | N14 | 118.9° | 130.6° |
| H52 | N12 | C38 | C39 | 79.0° | 12.0° |
| H52 | N12 | C38 | C40 | 41.6° | 131.8° |
| H52 | N12 | C38 | H53 | 160.9° | 107.9° |
| C39 | C38 | C40 | H53 | 118.7° | 120.2° |
| C38 | C39 | O7 | N14 | 179.9° | 180.0° |
| C39 | C38 | C40 | C41 | 65.5° | 57.4° |
| C39 | C38 | C40 | H54 | 173.6° | 177.4° |
| C39 | C38 | C40 | H55 | 55.4° | 62.6° |
| C38 | C39 | N14 | C43 | 171.7° | 177.0° |
| C38 | C39 | N14 | H60 | 8.4° | 3.0° |
| C39 | C38 | N12 | C30 | 101.1° | 168.0° |
| C40 | C38 | C39 | O7 | 59.8° | 70.5° |
| C38 | C40 | C41 | H54 | 120.9° | 120.0° |
| C38 | C40 | C41 | H55 | 120.8° | 120.0° |
| C38 | C40 | H54 | H55 | 117.3° | 120.0° |
| C38 | C40 | C41 | C42 | 68.0° | 175.0° |
| C38 | C40 | C41 | H56 | 171.6° | 65.0° |
| C38 | C40 | C41 | H57 | 52.5° | 55.0° |
| C40 | C38 | N12 | C30 | 138.4° | 48.1° |
| C40 | C38 | C39 | N14 | 120.3° | 109.5° |
| H53 | C38 | C39 | O7 | 178.4° | 169.3° |
| H53 | C38 | C40 | C41 | 53.2° | 62.7° |
| H53 | C38 | C40 | H54 | 67.7° | 57.3° |
| H53 | C38 | C40 | H55 | 174.0° | 177.2° |
| H53 | C38 | N12 | C30 | 19.1° | 72.1° |
| H53 | C38 | C39 | N14 | 1.7° | 10.7° |
| O7 | C39 | N14 | C43 | 8.4° | 3.0° |
| O7 | C39 | N14 | H60 | 171.5° | 177.0° |
| C41 | C40 | H54 | H55 | 117.3° | 120.0° |
| C40 | C41 | C42 | H56 | 120.5° | 120.0° |
| C40 | C41 | C42 | H57 | 120.4° | 120.0° |
| C40 | C41 | H56 | H57 | 118.6° | 120.0° |
| C40 | C41 | C42 | O8 | 59.2° | 0.0° |
| C40 | C41 | C42 | N13 | 121.1° | 180.0° |
| H54 | C40 | C41 | C42 | 52.9° | 55.0° |
| H54 | C40 | C41 | H56 | 67.6° | 175.0° |
| H54 | C40 | C41 | H57 | 173.4° | 65.0° |
| H55 | C40 | C41 | C42 | 171.2° | 65.0° |
| H55 | C40 | C41 | H56 | 50.7° | 55.0° |
| H55 | C40 | C41 | H57 | 68.4° | 175.0° |
| C42 | C41 | H56 | H57 | 118.6° | 120.1° |
| C41 | C42 | O8 | N13 | 179.7° | 179.9° |
| C41 | C42 | N13 | H58 | 179.7° | 0.1° |
| C41 | C42 | N13 | H59 | 0.3° | 180.0° |
| H56 | C41 | C42 | O8 | 61.3° | 120.0° |
| H56 | C41 | C42 | N13 | 118.5° | 60.1° |
| H57 | C41 | C42 | O8 | 179.6° | 119.9° |
| H57 | C41 | C42 | N13 | 0.6° | 60.0° |
| O8 | C42 | N13 | H58 | 0.0° | 180.0° |
| O8 | C42 | N13 | H59 | 180.0° | 0.1° |
| C42 | N13 | H58 | H59 | 180.0° | 179.9° |
| C43 | N14 | H60 | C39 | 180.0° | 180.0° |
| N14 | C43 | C44 | C45 | 122.5° | 120.3° |
| N14 | C43 | C44 | H61 | 119.0° | 120.3° |
| N14 | C43 | C45 | H61 | 119.9° | 119.5° |
| N14 | C43 | C44 | O9 | 79.7° | 50.0° |
| N14 | C43 | C45 | C46 | 172.0° | 168.6° |
| N14 | C43 | C45 | H62 | 51.1° | 71.4° |
| N14 | C43 | C45 | H63 | 67.1° | 48.7° |
| N14 | C43 | C44 | N16 | 99.3° | 130.0° |
| H60 | N14 | C43 | C44 | 65.2° | 29.6° |
| H60 | N14 | C43 | C45 | 56.8° | 149.9° |
| H60 | N14 | C43 | H61 | 176.2° | 90.7° |
| C44 | C43 | C45 | H61 | 118.6° | 119.5° |
| C43 | C44 | O9 | N16 | 179.0° | 180.0° |
| C44 | C43 | C45 | C46 | 66.5° | 47.6° |
| C44 | C43 | C45 | H62 | 172.7° | 167.6° |
| C44 | C43 | C45 | H63 | 54.4° | 72.4° |
| C43 | C44 | N16 | C49 | 174.1° | 159.1° |
| C43 | C44 | N16 | C52 | 1.3° | 20.1° |
| C44 | C43 | N14 | C39 | 114.8° | 150.4° |
| C45 | C43 | C44 | O9 | 42.8° | 70.3° |
| C43 | C45 | C46 | H62 | 120.8° | 120.0° |
| C43 | C45 | C46 | H63 | 120.8° | 119.9° |
| C43 | C45 | H62 | H63 | 117.3° | 119.9° |
| C43 | C45 | C46 | C47 | 71.9° | 175.6° |
| C43 | C45 | C46 | H64 | 167.6° | 55.6° |
| C43 | C45 | C46 | H65 | 48.6° | 64.4° |
| C45 | C43 | N14 | C39 | 123.2° | 30.1° |
| C45 | C43 | C44 | N16 | 138.2° | 109.7° |
| H61 | C43 | C44 | O9 | 161.3° | 170.3° |
| H61 | C43 | C45 | C46 | 52.1° | 71.9° |
| H61 | C43 | C45 | H62 | 68.8° | 48.1° |
| H61 | C43 | C45 | H63 | 172.9° | 168.1° |
| H61 | C43 | N14 | C39 | 3.7° | 89.3° |
| H61 | C43 | C44 | N16 | 19.7° | 9.7° |
| O9 | C44 | N16 | C49 | 4.9° | 20.9° |
| O9 | C44 | N16 | C52 | 177.7° | 159.9° |
| C46 | C45 | H62 | H63 | 117.4° | 120.1° |
| C45 | C46 | C47 | H64 | 120.5° | 120.0° |
| C45 | C46 | C47 | H65 | 120.5° | 120.0° |
| C45 | C46 | H64 | H65 | 118.4° | 120.0° |
| C45 | C46 | C47 | C48 | 168.0° | 180.0° |
| C45 | C46 | C47 | H66 | 71.7° | 60.0° |
| C45 | C46 | C47 | H67 | 47.8° | 60.0° |
| H62 | C45 | C46 | C47 | 48.9° | 64.4° |
| H62 | C45 | C46 | H64 | 71.6° | 175.6° |
| H62 | C45 | C46 | H65 | 169.5° | 55.6° |
| H63 | C45 | C46 | C47 | 167.3° | 55.7° |
| H63 | C45 | C46 | H64 | 46.8° | 64.4° |
| H63 | C45 | C46 | H65 | 72.2° | 175.7° |
| C47 | C46 | H64 | H65 | 118.5° | 120.0° |
| C46 | C47 | C48 | H66 | 120.2° | 120.0° |
| C46 | C47 | C48 | H67 | 120.3° | 120.0° |
| C46 | C47 | H66 | H67 | 119.3° | 120.0° |
| C46 | C47 | C48 | N15 | 168.5° | 180.0° |
| C46 | C47 | C48 | H68 | 70.9° | 60.0° |
| C46 | C47 | C48 | H69 | 47.9° | 60.0° |
| H64 | C46 | C47 | C48 | 47.5° | 60.0° |
| H64 | C46 | C47 | H66 | 167.7° | 180.0° |
| H64 | C46 | C47 | H67 | 72.7° | 60.0° |
| H65 | C46 | C47 | C48 | 71.5° | 60.0° |
| H65 | C46 | C47 | H66 | 48.8° | 60.0° |
| H65 | C46 | C47 | H67 | 168.3° | 180.0° |
| C48 | C47 | H66 | H67 | 119.3° | 120.0° |
| C47 | C48 | N15 | H68 | 120.6° | 119.9° |
| C47 | C48 | N15 | H69 | 120.6° | 120.0° |
| C47 | C48 | H68 | H69 | 118.1° | 119.9° |
| C47 | C48 | N15 | H70 | 180.0° | 60.1° |
| C47 | C48 | N15 | H71 | 60.0° | 60.0° |
| C47 | C48 | N15 | H72 | 60.0° | 180.0° |
| H66 | C47 | C48 | N15 | 48.3° | 60.0° |
| H66 | C47 | C48 | H68 | 168.9° | 180.0° |
| H66 | C47 | C48 | H69 | 72.3° | 60.0° |
| H67 | C47 | C48 | N15 | 71.2° | 60.0° |
| H67 | C47 | C48 | H68 | 49.4° | 60.0° |
| H67 | C47 | C48 | H69 | 168.1° | 179.9° |
| N15 | C48 | H68 | H69 | 118.1° | 120.1° |
| C48 | N15 | H70 | H71 | 120.0° | 120.0° |
| C48 | N15 | H70 | H72 | 120.0° | 119.9° |
| C48 | N15 | H71 | H72 | 120.0° | 120.0° |
| H68 | C48 | N15 | H70 | 59.4° | 180.0° |
| H68 | C48 | N15 | H71 | 179.4° | 60.0° |
| H68 | C48 | N15 | H72 | 60.6° | 60.1° |
| H69 | C48 | N15 | H70 | 59.4° | 59.9° |
| H69 | C48 | N15 | H71 | 60.6° | 180.0° |
| H69 | C48 | N15 | H72 | 179.4° | 60.0° |
| H70 | N15 | H71 | H72 | 120.0° | 120.0° |
| C49 | N16 | C52 | C44 | 173.3° | 179.3° |
| N16 | C49 | C50 | C53 | 118.8° | 122.4° |
| N16 | C49 | C50 | H73 | 119.2° | 119.2° |
| N16 | C49 | C53 | H73 | 124.5° | 120.5° |
| N16 | C49 | C50 | C51 | 23.6° | 0.6° |
| N16 | C49 | C50 | H74 | 95.7° | 119.9° |
| N16 | C49 | C50 | H75 | 142.9° | 118.8° |
| C49 | N16 | C52 | C51 | 20.7° | 15.1° |
| C49 | N16 | C52 | H78 | 139.6° | 134.8° |
| C49 | N16 | C52 | H79 | 98.3° | 104.6° |
| N16 | C49 | C53 | O10 | 54.6° | 1.3° |
| N16 | C49 | C53 | N17 | 124.8° | 178.8° |
| C52 | N16 | C49 | C50 | 1.6° | 9.7° |
| C52 | N16 | C49 | C53 | 116.0° | 130.4° |
| C52 | N16 | C49 | H73 | 120.1° | 109.8° |
| N16 | C52 | C51 | C50 | 34.9° | 14.2° |
| N16 | C52 | C51 | H78 | 119.0° | 119.7° |
| N16 | C52 | C51 | H79 | 118.9° | 119.7° |
| N16 | C52 | C51 | H76 | 154.1° | 133.1° |
| N16 | C52 | C51 | H77 | 84.2° | 104.7° |
| N16 | C52 | H78 | H79 | 123.0° | 120.6° |
| C50 | C49 | C53 | H73 | 122.0° | 119.5° |
| C49 | C50 | C51 | H74 | 119.3° | 119.4° |
| C49 | C50 | C51 | H75 | 119.3° | 119.4° |
| C49 | C50 | H74 | H75 | 122.1° | 121.4° |
| C49 | C50 | C51 | C52 | 36.7° | 8.2° |
| C49 | C50 | C51 | H76 | 155.9° | 127.1° |
| C49 | C50 | C51 | H77 | 82.4° | 110.7° |
| C50 | C49 | C53 | O10 | 58.9° | 118.8° |
| C50 | C49 | N16 | C44 | 175.5° | 171.0° |
| C50 | C49 | C53 | N17 | 121.7° | 61.1° |
| C53 | C49 | C50 | C51 | 95.2° | 123.0° |
| C53 | C49 | C50 | H74 | 145.5° | 117.7° |
| C53 | C49 | C50 | H75 | 24.1° | 3.6° |
| C49 | C53 | O10 | N17 | 179.4° | 179.9° |
| C49 | C53 | N17 | C54 | 176.8° | 174.7° |
| C49 | C53 | N17 | C58 | 2.1° | 4.8° |
| C53 | C49 | N16 | C44 | 57.9° | 50.3° |
| H73 | C49 | C50 | C51 | 142.7° | 118.7° |
| H73 | C49 | C50 | H74 | 23.5° | 0.7° |
| H73 | C49 | C50 | H75 | 98.0° | 122.0° |
| H73 | C49 | C53 | O10 | 179.0° | 121.7° |
| H73 | C49 | N16 | C44 | 66.0° | 69.4° |
| H73 | C49 | C53 | N17 | 0.4° | 58.4° |
| C51 | C50 | H74 | H75 | 122.1° | 121.3° |
| C50 | C51 | C52 | H76 | 119.2° | 118.9° |
| C50 | C51 | C52 | H77 | 119.1° | 118.9° |
| C50 | C51 | H76 | H77 | 122.5° | 122.1° |
| C50 | C51 | C52 | H78 | 153.9° | 133.9° |
| C50 | C51 | C52 | H79 | 84.0° | 105.5° |
| H74 | C50 | C51 | C52 | 82.5° | 111.2° |
| H74 | C50 | C51 | H76 | 36.6° | 7.7° |
| H74 | C50 | C51 | H77 | 158.4° | 129.9° |
| H75 | C50 | C51 | C52 | 156.0° | 127.6° |
| H75 | C50 | C51 | H76 | 84.8° | 113.5° |
| H75 | C50 | C51 | H77 | 36.9° | 8.6° |
| C52 | C51 | H76 | H77 | 122.5° | 122.1° |
| C51 | C52 | H78 | H79 | 123.0° | 120.6° |
| C51 | C52 | N16 | C44 | 152.7° | 165.6° |
| H76 | C51 | C52 | H78 | 87.0° | 107.2° |
| H76 | C51 | C52 | H79 | 35.1° | 13.5° |
| H77 | C51 | C52 | H78 | 34.8° | 15.0° |
| H77 | C51 | C52 | H79 | 156.9° | 135.6° |
| H78 | C52 | N16 | C44 | 33.7° | 45.9° |
| H79 | C52 | N16 | C44 | 88.4° | 74.7° |
| O10 | C53 | N17 | C54 | 2.5° | 5.2° |
| O10 | C53 | N17 | C58 | 178.5° | 175.3° |
| C54 | N17 | C58 | C53 | 179.0° | 179.6° |
| N17 | C54 | C55 | C56 | 114.4° | 120.9° |
| N17 | C54 | C55 | H80 | 124.4° | 119.0° |
| N17 | C54 | C56 | H80 | 118.2° | 116.2° |
| N17 | C54 | C55 | O11 | 171.0° | 31.0° |
| N17 | C54 | C56 | C57 | 32.8° | 22.7° |
| N17 | C54 | C56 | H81 | 151.9° | 96.0° |
| N17 | C54 | C56 | H82 | 86.3° | 141.5° |
| C54 | N17 | C58 | C57 | 0.2° | 12.2° |
| C54 | N17 | C58 | H85 | 118.9° | 107.6° |
| C54 | N17 | C58 | H86 | 119.2° | 131.9° |
| N17 | C54 | C55 | N18 | 7.8° | 149.0° |
| C58 | N17 | C54 | C55 | 98.5° | 145.5° |
| C58 | N17 | C54 | C56 | 20.2° | 22.0° |
| C58 | N17 | C54 | H80 | 137.7° | 94.8° |
| N17 | C58 | C57 | C56 | 21.5° | 2.3° |
| N17 | C58 | C57 | H85 | 119.0° | 119.8° |
| N17 | C58 | C57 | H86 | 119.0° | 119.8° |
| N17 | C58 | C57 | H83 | 97.9° | 121.5° |
| N17 | C58 | C57 | H84 | 141.1° | 116.8° |
| N17 | C58 | H85 | H86 | 122.7° | 120.6° |
| C55 | C54 | C56 | H80 | 121.2° | 120.3° |
| C54 | C55 | O11 | N18 | 178.7° | 180.0° |
| C55 | C54 | C56 | C57 | 87.8° | 146.1° |
| C55 | C54 | C56 | H81 | 31.3° | 27.4° |
| C55 | C54 | C56 | H82 | 153.1° | 95.1° |
| C54 | C55 | N18 | C59 | 174.0° | 156.5° |
| C54 | C55 | N18 | H87 | 6.0° | 23.4° |
| C55 | C54 | N17 | C53 | 80.6° | 34.9° |
| C56 | C54 | C55 | O11 | 74.5° | 151.9° |
| C54 | C56 | C57 | H81 | 119.1° | 118.7° |
| C54 | C56 | C57 | H82 | 119.1° | 118.8° |
| C54 | C56 | H81 | H82 | 122.6° | 122.5° |
| C54 | C56 | C57 | C58 | 34.0° | 14.9° |
| C54 | C56 | C57 | H83 | 85.5° | 134.2° |
| C54 | C56 | C57 | H84 | 153.5° | 104.1° |
| C56 | C54 | N17 | C53 | 160.6° | 158.4° |
| C56 | C54 | C55 | N18 | 106.6° | 28.1° |
| H80 | C54 | C55 | O11 | 46.7° | 88.0° |
| H80 | C54 | C56 | C57 | 150.9° | 93.5° |
| H80 | C54 | C56 | H81 | 90.0° | 147.8° |
| H80 | C54 | C56 | H82 | 31.8° | 25.2° |
| H80 | C54 | N17 | C53 | 43.2° | 84.8° |
| H80 | C54 | C55 | N18 | 132.1° | 92.1° |
| O11 | C55 | N18 | C59 | 7.2° | 23.5° |
| O11 | C55 | N18 | H87 | 172.8° | 156.6° |
| C57 | C56 | H81 | H82 | 122.7° | 122.5° |
| C56 | C57 | C58 | H83 | 119.5° | 119.2° |
| C56 | C57 | C58 | H84 | 119.5° | 119.1° |
| C56 | C57 | H83 | H84 | 121.5° | 121.7° |
| C56 | C57 | C58 | H85 | 97.5° | 122.0° |
| C56 | C57 | C58 | H86 | 140.6° | 117.5° |
| H81 | C56 | C57 | C58 | 153.1° | 103.8° |
| H81 | C56 | C57 | H83 | 33.6° | 15.5° |
| H81 | C56 | C57 | H84 | 87.4° | 137.2° |
| H82 | C56 | C57 | C58 | 85.1° | 133.7° |
| H82 | C56 | C57 | H83 | 155.4° | 107.1° |
| H82 | C56 | C57 | H84 | 34.4° | 14.6° |
| C58 | C57 | H83 | H84 | 121.5° | 121.6° |
| C57 | C58 | H85 | H86 | 122.8° | 120.5° |
| C57 | C58 | N17 | C53 | 178.8° | 168.2° |
| H83 | C57 | C58 | H85 | 143.0° | 118.7° |
| H83 | C57 | C58 | H86 | 21.1° | 1.7° |
| H84 | C57 | C58 | H85 | 22.0° | 2.9° |
| H84 | C57 | C58 | H86 | 99.9° | 123.4° |
| H85 | C58 | N17 | C53 | 62.1° | 72.0° |
| H86 | C58 | N17 | C53 | 59.8° | 48.5° |
| C59 | N18 | H87 | C55 | 180.0° | 179.9° |
| N18 | C59 | C60 | C61 | 123.2° | 120.6° |
| N18 | C59 | C60 | H88 | 120.3° | 120.6° |
| N18 | C59 | C61 | H88 | 117.6° | 118.9° |
| N18 | C59 | C60 | O12 | 31.8° | 13.2° |
| N18 | C59 | C61 | C62 | 57.0° | 65.0° |
| N18 | C59 | C61 | H89 | 63.5° | 54.9° |
| N18 | C59 | C61 | H90 | 177.4° | 174.9° |
| N18 | C59 | C60 | N19 | 146.9° | 166.9° |
| H87 | N18 | C59 | C60 | 89.0° | 46.2° |
| H87 | N18 | C59 | C61 | 34.0° | 74.4° |
| H87 | N18 | C59 | H88 | 151.1° | 166.8° |
| C60 | C59 | C61 | H88 | 116.5° | 118.9° |
| C59 | C60 | O12 | N19 | 178.7° | 180.0° |
| C60 | C59 | C61 | C62 | 177.2° | 172.7° |
| C60 | C59 | C61 | H89 | 62.4° | 67.3° |
| C60 | C59 | C61 | H90 | 56.7° | 52.7° |
| C59 | C60 | N19 | C68 | 163.3° | 174.5° |
| C59 | C60 | N19 | H96 | 16.7° | 5.5° |
| C60 | C59 | N18 | C55 | 91.0° | 133.9° |
| C61 | C59 | C60 | O12 | 91.4° | 133.8° |
| C59 | C61 | C62 | H89 | 120.4° | 119.9° |
| C59 | C61 | C62 | H90 | 120.4° | 120.1° |
| C59 | C61 | H89 | H90 | 118.7° | 120.0° |
| C59 | C61 | C62 | C63 | 85.2° | 90.0° |
| C59 | C61 | C62 | C64 | 93.1° | 90.3° |
| C61 | C59 | N18 | C55 | 146.0° | 105.6° |
| C61 | C59 | C60 | N19 | 89.8° | 46.3° |
| H88 | C59 | C60 | O12 | 152.1° | 107.4° |
| H88 | C59 | C61 | C62 | 60.6° | 53.9° |
| H88 | C59 | C61 | H89 | 178.9° | 173.8° |
| H88 | C59 | C61 | H90 | 59.8° | 66.2° |
| H88 | C59 | N18 | C55 | 28.9° | 13.3° |
| H88 | C59 | C60 | N19 | 26.6° | 72.5° |
| O12 | C60 | N19 | C68 | 17.9° | 5.4° |
| O12 | C60 | N19 | H96 | 162.1° | 174.6° |
| C62 | C61 | H89 | H90 | 118.7° | 120.0° |
| C61 | C62 | C63 | C64 | 178.4° | 179.7° |
| C61 | C62 | C63 | C65 | 179.0° | 180.0° |
| C61 | C62 | C63 | H91 | 1.0° | 0.0° |
| C61 | C62 | C64 | C66 | 179.0° | 180.0° |
| C61 | C62 | C64 | H92 | 1.0° | 0.1° |
| H89 | C61 | C62 | C63 | 154.3° | 29.9° |
| H89 | C61 | C62 | C64 | 27.4° | 149.8° |
| H90 | C61 | C62 | C63 | 35.2° | 150.0° |
| H90 | C61 | C62 | C64 | 146.5° | 29.8° |
| C62 | C63 | C65 | H91 | 180.0° | 180.0° |
| C63 | C62 | C64 | C66 | 0.6° | 0.2° |
| C63 | C62 | C64 | H92 | 179.4° | 179.8° |
| C62 | C63 | C65 | C67 | 0.5° | 0.0° |
| C62 | C63 | C65 | H93 | 179.5° | 180.0° |
| C64 | C62 | C63 | C65 | 0.7° | 0.3° |
| C64 | C62 | C63 | H91 | 179.3° | 179.7° |
| C62 | C64 | C66 | H92 | 180.0° | 180.0° |
| C62 | C64 | C66 | C67 | 0.3° | 0.0° |
| C62 | C64 | C66 | H94 | 179.7° | 180.0° |
| C63 | C65 | C67 | H93 | 180.0° | 179.9° |
| C63 | C65 | C67 | C66 | 0.2° | 0.2° |
| C63 | C65 | C67 | O13 | 179.8° | 180.0° |
| H91 | C63 | C65 | C67 | 179.6° | 179.9° |
| H91 | C63 | C65 | H93 | 0.4° | 0.0° |
| C64 | C66 | C67 | C65 | 0.1° | 0.3° |
| C64 | C66 | C67 | H94 | 180.0° | 180.0° |
| C64 | C66 | C67 | O13 | 179.9° | 179.9° |
| H92 | C64 | C66 | C67 | 179.7° | 179.9° |
| H92 | C64 | C66 | H94 | 0.3° | 0.0° |
| C65 | C67 | C66 | O13 | 180.0° | 179.8° |
| C65 | C67 | C66 | H94 | 179.9° | 179.8° |
| C65 | C67 | O13 | H95 | 180.0° | 90.1° |
| H93 | C65 | C67 | C66 | 179.8° | 179.7° |
| H93 | C65 | C67 | O13 | 0.2° | 0.1° |
| C66 | C67 | O13 | H95 | 0.0° | 89.7° |
| H94 | C66 | C67 | O13 | 0.1° | 0.1° |
| C68 | N19 | H96 | C60 | 180.0° | 180.0° |
| N19 | C68 | C69 | C70 | 121.8° | 119.7° |
| N19 | C68 | C69 | H97 | 119.1° | 119.6° |
| N19 | C68 | C70 | H97 | 122.4° | 120.7° |
| N19 | C68 | C69 | O14 | 38.1° | 22.3° |
| N19 | C68 | C70 | C71 | 80.6° | 154.8° |
| N19 | C68 | C70 | H98 | 40.1° | 34.8° |
| N19 | C68 | C70 | H99 | 158.8° | 85.2° |
| N19 | C68 | C69 | N23 | 131.7° | 157.6° |
| H96 | N19 | C68 | C69 | 82.6° | 17.2° |
| H96 | N19 | C68 | C70 | 37.1° | 136.9° |
| H96 | N19 | C68 | H97 | 158.9° | 102.4° |
| C69 | C68 | C70 | H97 | 119.3° | 120.7° |
| C68 | C69 | O14 | N23 | 171.9° | 179.9° |
| C69 | C68 | C70 | C71 | 161.2° | 86.6° |
| C69 | C68 | C70 | H98 | 78.1° | 153.4° |
| C69 | C68 | C70 | H99 | 40.6° | 33.4° |
| C68 | C69 | N23 | C75 | 178.3° | 175.8° |
| C68 | C69 | N23 | H110 | 1.7° | 4.3° |
| C69 | C68 | N19 | C60 | 97.4° | 162.8° |
| C70 | C68 | C69 | O14 | 83.7° | 142.0° |
| C68 | C70 | C71 | H98 | 120.7° | 120.0° |
| C68 | C70 | C71 | H99 | 120.6° | 120.0° |
| C68 | C70 | H98 | H99 | 117.9° | 120.0° |
| C68 | C70 | C71 | C72 | 157.1° | 174.9° |
| C68 | C70 | C71 | H100 | 36.7° | 55.0° |
| C68 | C70 | C71 | H101 | 82.5° | 65.0° |
| C70 | C68 | N19 | C60 | 142.9° | 43.1° |
| C70 | C68 | C69 | N23 | 106.5° | 37.9° |
| H97 | C68 | C69 | O14 | 157.1° | 97.3° |
| H97 | C68 | C70 | C71 | 41.9° | 34.1° |
| H97 | C68 | C70 | H98 | 162.5° | 86.0° |
| H97 | C68 | C70 | H99 | 78.8° | 154.1° |
| H97 | C68 | N19 | C60 | 21.1° | 77.6° |
| H97 | C68 | C69 | N23 | 12.7° | 82.8° |
| O14 | C69 | N23 | C75 | 11.0° | 4.2° |
| O14 | C69 | N23 | H110 | 169.0° | 175.8° |
| C71 | C70 | H98 | H99 | 117.9° | 120.0° |
| C70 | C71 | C72 | H100 | 120.4° | 120.0° |
| C70 | C71 | C72 | H101 | 120.4° | 120.0° |
| C70 | C71 | H100 | H101 | 118.7° | 120.0° |
| C70 | C71 | C72 | N20 | 164.9° | 180.0° |
| C70 | C71 | C72 | H102 | 74.9° | 60.0° |
| C70 | C71 | C72 | H103 | 44.6° | 60.0° |
| H98 | C70 | C71 | C72 | 82.2° | 65.0° |
| H98 | C70 | C71 | H100 | 157.4° | 175.0° |
| H98 | C70 | C71 | H101 | 38.2° | 55.0° |
| H99 | C70 | C71 | C72 | 36.5° | 54.9° |
| H99 | C70 | C71 | H100 | 83.9° | 65.1° |
| H99 | C70 | C71 | H101 | 156.9° | 174.9° |
| C72 | C71 | H100 | H101 | 118.8° | 120.0° |
| C71 | C72 | N20 | H102 | 120.3° | 120.0° |
| C71 | C72 | N20 | H103 | 120.3° | 120.0° |
| C71 | C72 | H102 | H103 | 119.2° | 120.0° |
| C71 | C72 | N20 | C73 | 161.0° | 180.0° |
| C71 | C72 | N20 | H104 | 19.1° | 0.0° |
| H100 | C71 | C72 | N20 | 44.4° | 60.0° |
| H100 | C71 | C72 | H102 | 164.7° | 180.0° |
| H100 | C71 | C72 | H103 | 75.8° | 60.0° |
| H101 | C71 | C72 | N20 | 74.8° | 60.0° |
| H101 | C71 | C72 | H102 | 45.5° | 60.1° |
| H101 | C71 | C72 | H103 | 165.0° | 180.0° |
| N20 | C72 | H102 | H103 | 119.2° | 120.0° |
| C72 | N20 | C73 | H104 | 180.0° | 179.9° |
| C72 | N20 | C73 | N21 | 179.5° | 0.0° |
| C72 | N20 | C73 | N22 | 0.2° | 180.0° |
| H102 | C72 | N20 | C73 | 78.7° | 60.0° |
| H102 | C72 | N20 | H104 | 101.2° | 120.0° |
| H103 | C72 | N20 | C73 | 40.7° | 60.0° |
| H103 | C72 | N20 | H104 | 139.3° | 120.1° |
| N20 | C73 | N21 | N22 | 179.7° | 180.0° |
| N20 | C73 | N21 | H105 | 179.7° | 0.0° |
| N20 | C73 | N21 | H106 | 0.4° | 180.0° |
| N20 | C73 | N22 | H107 | 179.7° | 0.0° |
| N20 | C73 | N22 | H108 | 0.3° | 180.0° |
| H104 | N20 | C73 | N21 | 0.6° | 179.9° |
| H104 | N20 | C73 | N22 | 179.8° | 0.1° |
| C73 | N21 | H105 | H106 | 180.0° | 180.0° |
| N21 | C73 | N22 | H107 | 0.0° | 180.0° |
| N21 | C73 | N22 | H108 | 180.0° | 0.0° |
| N22 | C73 | N21 | H105 | 0.0° | 180.0° |
| N22 | C73 | N21 | H106 | 180.0° | 0.0° |
| C73 | N22 | H107 | H108 | 180.0° | 180.0° |
| O15 | C74 | C75 | N26 | 175.7° | 179.9° |
| O15 | C74 | C75 | N23 | 32.0° | 23.2° |
| O15 | C74 | C75 | C76 | 85.5° | 96.9° |
| O15 | C74 | C75 | H109 | 153.6° | 143.3° |
| O15 | C74 | N26 | C80 | 25.4° | 0.5° |
| O15 | C74 | N26 | H120 | 154.6° | 179.5° |
| C74 | C75 | N23 | C76 | 117.7° | 120.1° |
| C74 | C75 | N23 | H109 | 121.3° | 120.1° |
| C74 | C75 | C76 | H109 | 121.0° | 119.8° |
| C74 | C75 | N23 | H110 | 59.2° | 46.8° |
| C74 | C75 | C76 | C77 | 169.2° | 175.0° |
| C74 | C75 | C76 | H111 | 70.6° | 65.0° |
| C74 | C75 | C76 | H112 | 48.9° | 55.0° |
| C75 | C74 | N26 | C80 | 149.9° | 179.4° |
| C75 | C74 | N26 | H120 | 30.1° | 0.6° |
| C74 | C75 | N23 | C69 | 120.8° | 133.2° |
| N23 | C75 | C76 | H109 | 121.6° | 119.9° |
| C75 | N23 | H110 | C69 | 180.0° | 180.0° |
| N23 | C75 | C76 | C77 | 73.5° | 64.7° |
| N23 | C75 | C76 | H111 | 46.7° | 55.3° |
| N23 | C75 | C76 | H112 | 166.3° | 175.3° |
| N23 | C75 | C74 | N26 | 152.3° | 156.9° |
| C76 | C75 | N23 | H110 | 58.4° | 73.2° |
| C75 | C76 | C77 | H111 | 120.2° | 120.0° |
| C75 | C76 | C77 | H112 | 120.3° | 120.0° |
| C75 | C76 | H111 | H112 | 119.3° | 120.0° |
| C75 | C76 | C77 | C78 | 115.1° | 180.0° |
| C75 | C76 | C77 | H113 | 5.0° | 60.0° |
| C75 | C76 | C77 | H114 | 124.8° | 60.0° |
| C76 | C75 | N23 | C69 | 121.6° | 106.7° |
| C76 | C75 | C74 | N26 | 90.2° | 83.0° |
| H109 | C75 | N23 | H110 | 179.5° | 166.9° |
| H109 | C75 | C76 | C77 | 48.1° | 55.2° |
| H109 | C75 | C76 | H111 | 168.4° | 175.2° |
| H109 | C75 | C76 | H112 | 72.1° | 64.8° |
| H109 | C75 | N23 | C69 | 0.5° | 13.1° |
| H109 | C75 | C74 | N26 | 30.7° | 36.8° |
| C77 | C76 | H111 | H112 | 119.2° | 120.0° |
| C76 | C77 | C78 | H113 | 120.1° | 119.9° |
| C76 | C77 | C78 | H114 | 120.1° | 119.9° |
| C76 | C77 | H113 | H114 | 119.6° | 120.0° |
| C76 | C77 | C78 | N24 | 132.2° | 180.0° |
| C76 | C77 | C78 | H115 | 11.8° | 60.0° |
| C76 | C77 | C78 | H116 | 107.4° | 60.0° |
| H111 | C76 | C77 | C78 | 124.7° | 60.0° |
| H111 | C76 | C77 | H113 | 115.2° | 180.0° |
| H111 | C76 | C77 | H114 | 4.5° | 60.0° |
| H112 | C76 | C77 | C78 | 5.2° | 60.0° |
| H112 | C76 | C77 | H113 | 125.3° | 60.0° |
| H112 | C76 | C77 | H114 | 115.0° | 180.0° |
| C78 | C77 | H113 | H114 | 119.6° | 120.1° |
| C77 | C78 | N24 | H115 | 120.4° | 120.0° |
| C77 | C78 | N24 | H116 | 120.4° | 120.0° |
| C77 | C78 | H115 | H116 | 118.8° | 120.0° |
| C77 | C78 | N24 | C79 | 174.8° | 180.0° |
| C77 | C78 | N24 | H117 | 5.2° | 0.0° |
| H113 | C77 | C78 | N24 | 107.7° | 60.1° |
| H113 | C77 | C78 | H115 | 131.9° | 180.0° |
| H113 | C77 | C78 | H116 | 12.7° | 59.9° |
| H114 | C77 | C78 | N24 | 12.1° | 60.0° |
| H114 | C77 | C78 | H115 | 108.3° | 59.9° |
| H114 | C77 | C78 | H116 | 132.5° | 179.9° |
| N24 | C78 | H115 | H116 | 118.8° | 120.0° |
| C78 | N24 | C79 | H117 | 180.0° | 179.9° |
| C78 | N24 | C79 | O16 | 1.6° | 0.0° |
| C78 | N24 | C79 | N25 | 177.7° | 180.0° |
| H115 | C78 | N24 | C79 | 54.4° | 60.1° |
| H115 | C78 | N24 | H117 | 125.6° | 120.0° |
| H116 | C78 | N24 | C79 | 64.8° | 60.0° |
| H116 | C78 | N24 | H117 | 115.2° | 120.0° |
| N24 | C79 | O16 | N25 | 179.3° | 179.9° |
| N24 | C79 | N25 | H118 | 179.3° | 0.0° |
| N24 | C79 | N25 | H119 | 0.7° | 180.0° |
| H117 | N24 | C79 | O16 | 178.4° | 180.0° |
| H117 | N24 | C79 | N25 | 2.3° | 0.1° |
| O16 | C79 | N25 | H118 | 0.0° | 180.0° |
| O16 | C79 | N25 | H119 | 180.0° | 0.1° |
| C79 | N25 | H118 | H119 | 180.0° | 180.0° |
| C80 | N26 | H120 | C74 | 180.0° | 180.0° |
| N26 | C80 | C81 | C82 | 123.2° | 119.6° |
| N26 | C80 | C81 | H121 | 118.9° | 120.1° |
| N26 | C80 | C82 | H121 | 118.6° | 120.0° |
| N26 | C80 | C81 | O17 | 25.5° | 20.0° |
| N26 | C80 | C82 | S2 | 46.3° | 176.3° |
| N26 | C80 | C82 | H122 | 74.4° | 56.3° |
| N26 | C80 | C82 | H123 | 167.1° | 63.7° |
| N26 | C80 | C81 | N27 | 154.3° | 160.0° |
| H120 | N26 | C80 | C81 | 51.3° | 50.0° |
| H120 | N26 | C80 | C82 | 72.3° | 69.8° |
| H120 | N26 | C80 | H121 | 169.7° | 170.1° |
| C81 | C80 | C82 | H121 | 117.9° | 120.2° |
| C80 | C81 | O17 | N27 | 179.8° | 180.0° |
| C81 | C80 | C82 | S2 | 169.8° | 63.8° |
| C81 | C80 | C82 | H122 | 49.0° | 176.2° |
| C81 | C80 | C82 | H123 | 69.4° | 56.1° |
| C80 | C81 | N27 | C83 | 175.8° | 180.0° |
| C80 | C81 | N27 | H124 | 4.2° | 0.0° |
| C81 | C80 | N26 | C74 | 128.8° | 130.0° |
| C82 | C80 | C81 | O17 | 97.7° | 99.6° |
| C80 | C82 | S2 | H122 | 120.8° | 120.0° |
| C80 | C82 | S2 | H123 | 120.8° | 120.0° |
| C80 | C82 | H122 | H123 | 117.6° | 120.1° |
| C80 | C82 | S2 | S1 | 110.0° | 165.0° |
| C82 | C80 | N26 | C74 | 107.7° | 110.2° |
| C82 | C80 | C81 | N27 | 82.5° | 80.4° |
| H121 | C80 | C81 | O17 | 144.4° | 140.1° |
| H121 | C80 | C82 | S2 | 72.3° | 56.4° |
| H121 | C80 | C82 | H122 | 166.9° | 63.6° |
| H121 | C80 | C82 | H123 | 48.5° | 176.3° |
| H121 | C80 | N26 | C74 | 10.4° | 9.9° |
| H121 | C80 | C81 | N27 | 35.4° | 39.9° |
| O17 | C81 | N27 | C83 | 4.0° | 0.0° |
| O17 | C81 | N27 | H124 | 176.0° | 180.0° |
| S2 | C82 | H122 | H123 | 117.6° | 120.0° |
| H122 | C82 | S2 | S1 | 129.2° | 75.1° |
| H123 | C82 | S2 | S1 | 10.7° | 45.0° |
| C83 | N27 | H124 | C81 | 180.0° | 180.0° |
| N27 | C83 | C84 | C85 | 123.8° | 119.9° |
| N27 | C83 | C84 | H125 | 119.5° | 120.0° |
| N27 | C83 | C85 | H125 | 117.7° | 120.0° |
| N27 | C83 | C84 | O18 | 170.7° | 20.0° |
| N27 | C83 | C85 | C86 | 89.7° | 65.0° |
| N27 | C83 | C85 | H126 | 31.0° | 55.0° |
| N27 | C83 | C85 | H127 | 149.6° | 175.0° |
| N27 | C83 | C84 | N31 | 9.1° | 160.0° |
| H124 | N27 | C83 | C84 | 102.3° | 120.0° |
| H124 | N27 | C83 | C85 | 21.5° | 120.0° |
| H124 | N27 | C83 | H125 | 138.6° | 0.0° |
| C84 | C83 | C85 | H125 | 116.7° | 120.1° |
| C83 | C84 | O18 | N31 | 179.8° | 180.0° |
| C84 | C83 | C85 | C86 | 144.7° | 175.0° |
| C84 | C83 | C85 | H126 | 94.7° | 65.0° |
| C84 | C83 | C85 | H127 | 23.9° | 55.1° |
| C83 | C84 | N31 | C89 | 171.7° | 180.0° |
| C83 | C84 | N31 | H137 | 8.3° | 0.0° |
| C84 | C83 | N27 | C81 | 77.7° | 60.0° |
| C85 | C83 | C84 | O18 | 65.5° | 99.9° |
| C83 | C85 | C86 | H126 | 120.7° | 120.0° |
| C83 | C85 | C86 | H127 | 120.7° | 119.9° |
| C83 | C85 | H126 | H127 | 117.9° | 120.0° |
| C83 | C85 | C86 | C87 | 67.6° | 180.0° |
| C83 | C85 | C86 | H128 | 52.7° | 60.0° |
| C83 | C85 | C86 | H129 | 172.1° | 60.1° |
| C85 | C83 | N27 | C81 | 158.5° | 60.0° |
| C85 | C83 | C84 | N31 | 114.6° | 80.0° |
| H125 | C83 | C84 | O18 | 51.1° | 140.0° |
| H125 | C83 | C85 | C86 | 28.0° | 54.9° |
| H125 | C83 | C85 | H126 | 148.7° | 174.9° |
| H125 | C83 | C85 | H127 | 92.7° | 65.0° |
| H125 | C83 | N27 | C81 | 41.4° | 180.0° |
| H125 | C83 | C84 | N31 | 128.7° | 40.0° |
| O18 | C84 | N31 | C89 | 8.1° | 0.1° |
| O18 | C84 | N31 | H137 | 171.9° | 180.0° |
| C86 | C85 | H126 | H127 | 117.9° | 120.0° |
| C85 | C86 | C87 | H128 | 120.3° | 120.0° |
| C85 | C86 | C87 | H129 | 120.3° | 120.0° |
| C85 | C86 | H128 | H129 | 119.1° | 120.1° |
| C85 | C86 | C87 | N28 | 108.3° | 180.0° |
| C85 | C86 | C87 | H130 | 131.2° | 59.9° |
| C85 | C86 | C87 | H131 | 12.1° | 60.0° |
| H126 | C85 | C86 | C87 | 171.7° | 60.0° |
| H126 | C85 | C86 | H128 | 67.9° | 180.0° |
| H126 | C85 | C86 | H129 | 51.4° | 60.0° |
| H127 | C85 | C86 | C87 | 53.1° | 60.0° |
| H127 | C85 | C86 | H128 | 173.4° | 59.9° |
| H127 | C85 | C86 | H129 | 67.2° | 180.0° |
| C87 | C86 | H128 | H129 | 119.1° | 119.9° |
| C86 | C87 | N28 | H130 | 120.5° | 120.0° |
| C86 | C87 | N28 | H131 | 120.5° | 120.0° |
| C86 | C87 | H130 | H131 | 118.6° | 120.0° |
| C86 | C87 | N28 | C88 | 175.9° | 180.0° |
| C86 | C87 | N28 | H132 | 4.1° | 0.0° |
| H128 | C86 | C87 | N28 | 12.0° | 60.0° |
| H128 | C86 | C87 | H130 | 108.5° | 180.0° |
| H128 | C86 | C87 | H131 | 132.4° | 60.1° |
| H129 | C86 | C87 | N28 | 131.3° | 59.9° |
| H129 | C86 | C87 | H130 | 10.9° | 60.1° |
| H129 | C86 | C87 | H131 | 108.2° | 180.0° |
| N28 | C87 | H130 | H131 | 118.6° | 120.0° |
| C87 | N28 | C88 | H132 | 180.0° | 179.9° |
| C87 | N28 | C88 | N29 | 179.8° | 0.0° |
| C87 | N28 | C88 | N30 | 0.9° | 180.0° |
| H130 | C87 | N28 | C88 | 63.6° | 60.0° |
| H130 | C87 | N28 | H132 | 116.3° | 120.1° |
| H131 | C87 | N28 | C88 | 55.4° | 60.0° |
| H131 | C87 | N28 | H132 | 124.6° | 120.0° |
| N28 | C88 | N29 | N30 | 179.3° | 180.0° |
| N28 | C88 | N29 | H133 | 179.3° | 0.1° |
| N28 | C88 | N29 | H134 | 0.7° | 180.0° |
| N28 | C88 | N30 | H135 | 179.3° | 0.0° |
| N28 | C88 | N30 | H136 | 0.7° | 180.0° |
| H132 | N28 | C88 | N29 | 0.2° | 180.0° |
| H132 | N28 | C88 | N30 | 179.1° | 0.0° |
| C88 | N29 | H133 | H134 | 180.0° | 179.9° |
| N29 | C88 | N30 | H135 | 0.0° | 179.9° |
| N29 | C88 | N30 | H136 | 180.0° | 0.0° |
| N30 | C88 | N29 | H133 | 0.0° | 180.0° |
| N30 | C88 | N29 | H134 | 180.0° | 0.0° |
| C88 | N30 | H135 | H136 | 180.0° | 179.9° |
| C89 | N31 | H137 | C84 | 180.0° | 179.9° |
| N31 | C89 | C90 | H138 | 120.3° | 120.0° |
| N31 | C89 | C90 | H139 | 120.3° | 120.0° |
| N31 | C89 | H138 | H139 | 119.2° | 120.0° |
| N31 | C89 | C90 | O19 | 60.5° | 0.0° |
| N31 | C89 | C90 | N32 | 121.7° | 180.0° |
| H137 | N31 | C89 | C90 | 91.5° | 0.0° |
| H137 | N31 | C89 | H138 | 28.8° | 120.0° |
| H137 | N31 | C89 | H139 | 148.3° | 120.0° |
| C90 | C89 | H138 | H139 | 119.2° | 120.0° |
| C89 | C90 | O19 | N32 | 177.6° | 180.0° |
| C89 | C90 | N32 | C91 | 151.8° | 180.0° |
| C89 | C90 | N32 | C94 | 37.4° | 0.3° |
| C90 | C89 | N31 | C84 | 88.5° | 180.0° |
| H138 | C89 | C90 | O19 | 179.2° | 120.0° |
| H138 | C89 | N31 | C84 | 151.2° | 60.0° |
| H138 | C89 | C90 | N32 | 1.5° | 60.0° |
| H139 | C89 | C90 | O19 | 59.8° | 120.0° |
| H139 | C89 | N31 | C84 | 31.7° | 59.9° |
| H139 | C89 | C90 | N32 | 118.0° | 60.0° |
| O19 | C90 | N32 | C91 | 30.5° | 0.0° |
| O19 | C90 | N32 | C94 | 140.3° | 179.7° |
| C91 | N32 | C94 | C90 | 171.6° | 179.7° |
| N32 | C91 | C92 | C95 | 115.8° | 119.4° |
| N32 | C91 | C92 | H140 | 120.3° | 119.4° |
| N32 | C91 | C95 | H140 | 123.2° | 121.1° |
| N32 | C91 | C92 | C93 | 2.2° | 22.3° |
| N32 | C91 | C92 | H141 | 117.3° | 140.6° |
| N32 | C91 | C92 | H142 | 121.7° | 96.2° |
| C91 | N32 | C94 | C93 | 32.2° | 24.5° |
| C91 | N32 | C94 | H145 | 86.6° | 94.4° |
| C91 | N32 | C94 | H146 | 151.0° | 143.2° |
| N32 | C91 | C95 | O20 | 161.3° | 0.1° |
| N32 | C91 | C95 | O21 | 18.1° | 180.0° |
| C94 | N32 | C91 | C92 | 21.6° | 1.3° |
| C94 | N32 | C91 | C95 | 96.6° | 118.1° |
| C94 | N32 | C91 | H140 | 141.0° | 120.7° |
| N32 | C94 | C93 | C92 | 29.2° | 37.4° |
| N32 | C94 | C93 | H145 | 118.8° | 118.9° |
| N32 | C94 | C93 | H146 | 118.8° | 118.7° |
| N32 | C94 | C93 | H143 | 90.4° | 80.8° |
| N32 | C94 | C93 | H144 | 148.9° | 155.3° |
| N32 | C94 | H145 | H146 | 123.5° | 122.3° |
| C92 | C91 | C95 | H140 | 123.9° | 121.1° |
| C91 | C92 | C93 | H141 | 119.5° | 118.3° |
| C91 | C92 | C93 | H142 | 119.5° | 118.4° |
| C91 | C92 | H141 | H142 | 121.6° | 123.2° |
| C91 | C92 | C93 | C94 | 17.3° | 35.7° |
| C91 | C92 | C93 | H143 | 102.4° | 82.5° |
| C91 | C92 | C93 | H144 | 137.0° | 153.5° |
| C92 | C91 | C95 | O20 | 48.4° | 117.7° |
| C92 | C91 | C95 | O21 | 131.0° | 62.2° |
| C92 | C91 | N32 | C90 | 150.4° | 179.0° |
| C95 | C91 | C92 | C93 | 113.6° | 141.7° |
| C95 | C91 | C92 | H141 | 126.9° | 100.0° |
| C95 | C91 | C92 | H142 | 5.8° | 23.2° |
| C91 | C95 | O20 | O21 | 179.4° | 179.9° |
| C91 | C95 | O21 | H147 | 179.4° | 180.0° |
| C95 | C91 | N32 | C90 | 91.4° | 61.6° |
| H140 | C91 | C92 | C93 | 122.5° | 97.2° |
| H140 | C91 | C92 | H141 | 3.0° | 21.2° |
| H140 | C91 | C92 | H142 | 118.0° | 144.4° |
| H140 | C91 | C95 | O20 | 75.5° | 121.1° |
| H140 | C91 | C95 | O21 | 105.2° | 59.0° |
| H140 | C91 | N32 | C90 | 31.0° | 59.6° |
| C93 | C92 | H141 | H142 | 121.6° | 123.3° |
| C92 | C93 | C94 | H143 | 119.6° | 118.2° |
| C92 | C93 | C94 | H144 | 119.6° | 117.9° |
| C92 | C93 | H143 | H144 | 120.9° | 124.0° |
| C92 | C93 | C94 | H145 | 89.6° | 81.5° |
| C92 | C93 | C94 | H146 | 148.0° | 156.1° |
| H141 | C92 | C93 | C94 | 136.8° | 154.0° |
| H141 | C92 | C93 | H143 | 17.1° | 35.8° |
| H141 | C92 | C93 | H144 | 103.6° | 88.1° |
| H142 | C92 | C93 | C94 | 102.2° | 82.7° |
| H142 | C92 | C93 | H143 | 138.1° | 159.1° |
| H142 | C92 | C93 | H144 | 17.5° | 35.1° |
| C94 | C93 | H143 | H144 | 121.0° | 123.8° |
| C93 | C94 | H145 | H146 | 123.5° | 122.3° |
| C93 | C94 | N32 | C90 | 139.4° | 155.8° |
| H143 | C93 | C94 | H145 | 150.8° | 160.3° |
| H143 | C93 | C94 | H146 | 28.4° | 37.9° |
| H144 | C93 | C94 | H145 | 30.1° | 36.4° |
| H144 | C93 | C94 | H146 | 92.4° | 86.0° |
| H145 | C94 | N32 | C90 | 101.8° | 85.3° |
| H146 | C94 | N32 | C90 | 20.6° | 37.1° |
| O20 | C95 | O21 | H147 | 0.0° | 0.1° |
