PRD_000999
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.56Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.24Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.50Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C6 | sing | 1.53Å | 1.48Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C7 | sing | 1.47Å | 1.45Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | C17 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | sing | 1.46Å | 1.44Å | Aromatic |
| C9 | C16 | doub | 1.34Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C15 | doub | 1.41Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.37Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | N3 | sing | 1.38Å | 1.37Å | Aromatic |
| N3 | C16 | sing | 1.37Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | O2 | doub | 1.21Å | 1.23Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C13 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| N4 | C19 | sing | 1.46Å | 1.46Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | O3 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.52Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | C24 | sing | 1.53Å | 1.52Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| N5 | C25 | sing | 1.47Å | 1.46Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C25 | C27 | sing | 1.53Å | 1.52Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | O4 | doub | 1.21Å | 1.24Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| N6 | C28 | sing | 1.47Å | 1.46Å | |
| N6 | H41 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C28 | C30 | sing | 1.53Å | 1.52Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | O5 | doub | 1.21Å | 1.23Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | O6 | doub | 1.21Å | 1.24Å | |
| C32 | N7 | sing | 1.35Å | 1.32Å | |
| N7 | H47 | sing | 0.97Å | 1.00Å | |
| N7 | H48 | sing | 0.97Å | 1.00Å | |
| N8 | C33 | sing | 1.47Å | 1.47Å | |
| N8 | H49 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | C37 | sing | 1.53Å | 1.52Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C34 | H51 | sing | 1.09Å | 1.10Å | |
| C34 | H52 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.51Å | 1.52Å | |
| C35 | H53 | sing | 1.09Å | 1.10Å | |
| C35 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | O7 | doub | 1.21Å | 1.27Å | |
| C36 | O8 | sing | 1.34Å | 1.25Å | |
| O8 | H55 | sing | 0.97Å | 0.95Å | |
| C37 | C38 | sing | 1.51Å | 1.53Å | |
| C37 | H56 | sing | 1.09Å | 1.10Å | |
| C37 | H57 | sing | 1.09Å | 1.10Å | |
| C38 | O9 | doub | 1.21Å | 1.23Å | |
| N9 | C39 | sing | 1.47Å | 1.46Å | |
| N9 | H58 | sing | 0.97Å | 1.00Å | |
| C39 | C40 | sing | 1.51Å | 1.50Å | |
| C39 | C41 | sing | 1.53Å | 1.53Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C40 | O10 | doub | 1.21Å | 1.22Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C41 | H60 | sing | 1.09Å | 1.10Å | |
| C41 | H61 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.50Å | |
| C42 | C44 | sing | 1.53Å | 1.52Å | |
| C42 | H62 | sing | 1.09Å | 1.10Å | |
| C43 | H63 | sing | 1.09Å | 1.10Å | |
| C43 | H64 | sing | 1.09Å | 1.10Å | |
| C43 | H65 | sing | 1.09Å | 1.10Å | |
| C44 | H66 | sing | 1.09Å | 1.10Å | |
| C44 | H67 | sing | 1.09Å | 1.10Å | |
| C44 | H68 | sing | 1.09Å | 1.10Å | |
| N10 | C45 | sing | 1.47Å | 1.46Å | |
| N10 | H69 | sing | 0.97Å | 1.00Å | |
| C45 | C46 | sing | 1.51Å | 1.53Å | |
| C45 | C47 | sing | 1.53Å | 1.52Å | |
| C45 | H70 | sing | 1.09Å | 1.10Å | |
| C46 | O11 | doub | 1.21Å | 1.23Å | |
| C47 | C48 | sing | 1.53Å | 1.51Å | |
| C47 | H71 | sing | 1.09Å | 1.10Å | |
| C47 | H72 | sing | 1.09Å | 1.10Å | |
| C48 | C49 | sing | 1.53Å | 1.52Å | |
| C48 | H73 | sing | 1.09Å | 1.10Å | |
| C48 | H74 | sing | 1.09Å | 1.10Å | |
| C49 | N11 | sing | 1.47Å | 1.46Å | |
| C49 | H75 | sing | 1.09Å | 1.10Å | |
| C49 | H76 | sing | 1.09Å | 1.10Å | |
| N11 | C50 | sing | 1.37Å | 1.33Å | |
| N11 | H77 | sing | 0.97Å | 1.00Å | |
| C50 | N12 | sing | 1.33Å | 1.33Å | |
| C50 | N13 | doub | 1.33Å | 1.32Å | |
| N12 | H78 | sing | 0.97Å | 1.00Å | |
| N12 | H79 | sing | 0.97Å | 1.00Å | |
| N13 | H80 | sing | 0.97Å | 1.00Å | |
| N13 | H81 | sing | 0.97Å | 1.00Å | |
| N14 | C51 | sing | 1.47Å | 1.45Å | |
| N14 | H82 | sing | 0.97Å | 1.00Å | |
| C51 | C52 | sing | 1.51Å | 1.53Å | |
| C51 | C53 | sing | 1.53Å | 1.53Å | |
| C51 | H83 | sing | 1.09Å | 1.10Å | |
| C52 | O12 | doub | 1.21Å | 1.23Å | |
| C53 | C54 | sing | 1.53Å | 1.50Å | |
| C53 | H84 | sing | 1.09Å | 1.10Å | |
| C53 | H85 | sing | 1.09Å | 1.10Å | |
| C54 | C55 | sing | 1.53Å | 1.53Å | |
| C54 | H86 | sing | 1.09Å | 1.10Å | |
| C54 | H87 | sing | 1.09Å | 1.10Å | |
| C55 | N15 | sing | 1.47Å | 1.46Å | |
| C55 | H88 | sing | 1.09Å | 1.10Å | |
| C55 | H89 | sing | 1.09Å | 1.10Å | |
| N15 | C56 | sing | 1.37Å | 1.33Å | |
| N15 | H90 | sing | 0.97Å | 1.00Å | |
| C56 | N16 | sing | 1.33Å | 1.31Å | |
| C56 | N17 | doub | 1.33Å | 1.32Å | |
| N16 | H91 | sing | 0.97Å | 1.00Å | |
| N16 | H92 | sing | 0.97Å | 1.00Å | |
| N17 | H93 | sing | 0.97Å | 1.00Å | |
| N17 | H94 | sing | 0.97Å | 1.00Å | |
| C57 | O13 | doub | 1.21Å | 1.23Å | |
| C58 | C57 | sing | 1.51Å | 1.52Å | |
| C58 | C59 | sing | 1.53Å | 1.53Å | |
| C58 | H95 | sing | 1.09Å | 1.10Å | |
| C59 | H97 | sing | 1.09Å | 1.10Å | |
| N18 | C59 | sing | 1.47Å | 1.44Å | |
| C60 | C59 | sing | 1.53Å | 1.54Å | |
| C60 | C62 | sing | 1.53Å | 1.51Å | |
| C60 | C61 | sing | 1.53Å | 1.54Å | |
| C61 | H102 | sing | 1.09Å | 1.10Å | |
| C61 | H100 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | sing | 1.53Å | 1.50Å | |
| C63 | H106 | sing | 1.09Å | 1.10Å | |
| C63 | H105 | sing | 1.09Å | 1.10Å | |
| H96 | C58 | sing | 1.09Å | 1.10Å | |
| H98 | N18 | sing | 0.97Å | 1.00Å | |
| H99 | C60 | sing | 1.09Å | 1.10Å | |
| H101 | C61 | sing | 1.09Å | 1.10Å | |
| H103 | C62 | sing | 1.09Å | 1.10Å | |
| H104 | C62 | sing | 1.09Å | 1.10Å | |
| H107 | C63 | sing | 1.09Å | 1.10Å | |
| N19 | C64 | sing | 1.47Å | 1.46Å | |
| N19 | H108 | sing | 0.97Å | 1.00Å | |
| C64 | C65 | sing | 1.51Å | 1.53Å | |
| C64 | H109 | sing | 1.09Å | 1.10Å | |
| C64 | H110 | sing | 1.09Å | 1.10Å | |
| C65 | O14 | doub | 1.21Å | 1.24Å | |
| N20 | C66 | sing | 1.47Å | 1.46Å | |
| N20 | H111 | sing | 0.97Å | 1.00Å | |
| C66 | C67 | sing | 1.51Å | 1.51Å | |
| C66 | C68 | sing | 1.53Å | 1.53Å | |
| C66 | H112 | sing | 1.09Å | 1.10Å | |
| C67 | O15 | doub | 1.21Å | 1.23Å | |
| C68 | C69 | sing | 1.51Å | 1.52Å | |
| C68 | H113 | sing | 1.09Å | 1.10Å | |
| C68 | H114 | sing | 1.09Å | 1.10Å | |
| C69 | O16 | doub | 1.21Å | 1.25Å | |
| C69 | O17 | sing | 1.34Å | 1.24Å | |
| O17 | H115 | sing | 0.97Å | 0.95Å | |
| N21 | C70 | sing | 1.47Å | 1.46Å | |
| N21 | H116 | sing | 0.97Å | 1.00Å | |
| C70 | C71 | sing | 1.51Å | 1.51Å | |
| C70 | C72 | sing | 1.53Å | 1.53Å | |
| C70 | H117 | sing | 1.09Å | 1.10Å | |
| C71 | O18 | doub | 1.21Å | 1.24Å | |
| C72 | C73 | sing | 1.53Å | 1.52Å | |
| C72 | H118 | sing | 1.09Å | 1.10Å | |
| C72 | H119 | sing | 1.09Å | 1.10Å | |
| C73 | C74 | sing | 1.51Å | 1.52Å | |
| C73 | H120 | sing | 1.09Å | 1.10Å | |
| C73 | H121 | sing | 1.09Å | 1.10Å | |
| C74 | O19 | doub | 1.21Å | 1.25Å | |
| C74 | O20 | sing | 1.34Å | 1.25Å | |
| O20 | H122 | sing | 0.97Å | 0.95Å | |
| N22 | C75 | sing | 1.46Å | 1.46Å | |
| N22 | H123 | sing | 0.97Å | 1.00Å | |
| C75 | C76 | sing | 1.53Å | 1.53Å | |
| C75 | C83 | sing | 1.53Å | 1.52Å | |
| C75 | H124 | sing | 1.09Å | 1.10Å | |
| C76 | C77 | sing | 1.51Å | 1.51Å | |
| C76 | H125 | sing | 1.09Å | 1.10Å | |
| C76 | H126 | sing | 1.09Å | 1.10Å | |
| C77 | C78 | doub | 1.38Å | 1.39Å | Aromatic |
| C77 | C82 | sing | 1.38Å | 1.39Å | Aromatic |
| C78 | C79 | sing | 1.38Å | 1.39Å | Aromatic |
| C78 | H127 | sing | 1.08Å | 1.08Å | |
| C79 | C80 | doub | 1.38Å | 1.39Å | Aromatic |
| C79 | H128 | sing | 1.08Å | 1.08Å | |
| C80 | C81 | sing | 1.38Å | 1.39Å | Aromatic |
| C80 | H129 | sing | 1.08Å | 1.08Å | |
| C81 | C82 | doub | 1.38Å | 1.39Å | Aromatic |
| C81 | H130 | sing | 1.08Å | 1.08Å | |
| C82 | H131 | sing | 1.08Å | 1.08Å | |
| C83 | C84 | sing | 1.51Å | 1.52Å | |
| C83 | H132 | sing | 1.09Å | 1.10Å | |
| C83 | H133 | sing | 1.09Å | 1.10Å | |
| C84 | O21 | doub | 1.21Å | 1.21Å | |
| N23 | C85 | sing | 1.47Å | 1.46Å | |
| N23 | H134 | sing | 0.97Å | 1.00Å | |
| C85 | C86 | sing | 1.51Å | 1.53Å | |
| C85 | C87 | sing | 1.53Å | 1.53Å | |
| C85 | H135 | sing | 1.09Å | 1.10Å | |
| C86 | O22 | doub | 1.21Å | 1.24Å | |
| C87 | C88 | sing | 1.51Å | 1.51Å | |
| C87 | H136 | sing | 1.09Å | 1.10Å | |
| C87 | H137 | sing | 1.09Å | 1.10Å | |
| C88 | O23 | doub | 1.21Å | 1.23Å | |
| C88 | N24 | sing | 1.35Å | 1.32Å | |
| N24 | H138 | sing | 0.97Å | 1.00Å | |
| N24 | H139 | sing | 0.97Å | 1.00Å | |
| N25 | C89 | sing | 1.46Å | 1.46Å | |
| N25 | H140 | sing | 0.97Å | 1.00Å | |
| C89 | C90 | sing | 1.51Å | 1.54Å | |
| C89 | C91 | sing | 1.53Å | 1.53Å | |
| C89 | H141 | sing | 1.09Å | 1.10Å | |
| C90 | O24 | doub | 1.21Å | 1.23Å | |
| C91 | H142 | sing | 1.09Å | 1.10Å | |
| C91 | H143 | sing | 1.09Å | 1.10Å | |
| C91 | H144 | sing | 1.09Å | 1.10Å | |
| N26 | C92 | sing | 1.46Å | 1.46Å | |
| N26 | H145 | sing | 0.97Å | 1.00Å | |
| C92 | C93 | sing | 1.51Å | 1.53Å | |
| C92 | C94 | sing | 1.53Å | 1.54Å | |
| C92 | H146 | sing | 1.09Å | 1.10Å | |
| C93 | O25 | doub | 1.21Å | 1.23Å | |
| C94 | C95 | sing | 1.51Å | 1.52Å | |
| C94 | H147 | sing | 1.09Å | 1.10Å | |
| C94 | H148 | sing | 1.09Å | 1.10Å | |
| C95 | C96 | doub | 1.38Å | 1.40Å | Aromatic |
| C95 | C97 | sing | 1.38Å | 1.39Å | Aromatic |
| C96 | C98 | sing | 1.38Å | 1.41Å | Aromatic |
| C96 | H149 | sing | 1.08Å | 1.08Å | |
| C97 | C99 | doub | 1.38Å | 1.40Å | Aromatic |
| C97 | H150 | sing | 1.08Å | 1.08Å | |
| C98 | C100 | doub | 1.39Å | 1.39Å | Aromatic |
| C98 | H151 | sing | 1.08Å | 1.08Å | |
| C99 | C100 | sing | 1.39Å | 1.39Å | Aromatic |
| C99 | H152 | sing | 1.08Å | 1.08Å | |
| C100 | O26 | sing | 1.36Å | 1.38Å | |
| O26 | H153 | sing | 0.97Å | 0.95Å | |
| O27 | C101 | doub | 1.21Å | 1.22Å | |
| C101 | C102 | sing | 1.51Å | 1.50Å | |
| C102 | C103 | sing | 1.53Å | 1.52Å | |
| C102 | H154 | sing | 1.09Å | 1.10Å | |
| C102 | H155 | sing | 1.09Å | 1.10Å | |
| C103 | C104 | sing | 1.53Å | 1.53Å | |
| C103 | N27 | sing | 1.46Å | 1.46Å | |
| C103 | H156 | sing | 1.09Å | 1.10Å | |
| N27 | H157 | sing | 0.97Å | 1.00Å | |
| C104 | C105 | sing | 1.51Å | 1.51Å | |
| C104 | H158 | sing | 1.09Å | 1.10Å | |
| C104 | H159 | sing | 1.09Å | 1.10Å | |
| C105 | C106 | doub | 1.38Å | 1.40Å | Aromatic |
| C105 | C110 | sing | 1.38Å | 1.39Å | Aromatic |
| C106 | C107 | sing | 1.38Å | 1.39Å | Aromatic |
| C106 | H160 | sing | 1.08Å | 1.08Å | |
| C107 | C108 | doub | 1.39Å | 1.40Å | Aromatic |
| C107 | H161 | sing | 1.08Å | 1.08Å | |
| C108 | C109 | sing | 1.39Å | 1.39Å | Aromatic |
| C108 | O28 | sing | 1.36Å | 1.36Å | |
| O28 | H162 | sing | 0.97Å | 0.95Å | |
| C109 | C110 | doub | 1.38Å | 1.39Å | Aromatic |
| C109 | H163 | sing | 1.08Å | 1.08Å | |
| C110 | H164 | sing | 1.08Å | 1.08Å | |
| N28 | H165 | sing | 0.97Å | 1.00Å | |
| N28 | H166 | sing | 0.97Å | 1.00Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C18 | N4 | sing | 1.35Å | 1.33Å | |
| C20 | N5 | sing | 1.35Å | 1.33Å | |
| C26 | N6 | sing | 1.35Å | 1.33Å | |
| C29 | N8 | sing | 1.35Å | 1.33Å | |
| C38 | N9 | sing | 1.35Å | 1.33Å | |
| C40 | N10 | sing | 1.35Å | 1.33Å | |
| C46 | N14 | sing | 1.35Å | 1.32Å | |
| C52 | N18 | sing | 1.35Å | 1.33Å | |
| C57 | N19 | sing | 1.35Å | 1.33Å | |
| C65 | N20 | sing | 1.35Å | 1.33Å | |
| C67 | N21 | sing | 1.35Å | 1.32Å | |
| C71 | N22 | sing | 1.35Å | 1.33Å | |
| C84 | N23 | sing | 1.35Å | 1.33Å | |
| C86 | N25 | sing | 1.35Å | 1.33Å | |
| C90 | N26 | sing | 1.35Å | 1.33Å | |
| C93 | N27 | sing | 1.35Å | 1.33Å | |
| C101 | N28 | sing | 1.35Å | 1.33Å |
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° | 110.9° |
| N1 | C1 | C2 | 115.5° | 109.5° |
| N1 | C1 | C3 | 111.6° | 109.5° |
| N1 | C1 | H3 | 107.3° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 109.5° | 109.5° |
| C2 | C1 | H3 | 106.3° | 109.5° |
| C1 | C2 | O1 | 121.9° | 120.0° |
| C1 | C2 | N2 | 114.3° | 120.0° |
| C3 | C1 | H3 | 106.2° | 109.4° |
| C1 | C3 | C4 | 111.1° | 109.5° |
| C1 | C3 | C5 | 112.3° | 109.4° |
| C1 | C3 | H4 | 108.5° | 109.5° |
| O1 | C2 | N2 | 123.7° | 120.0° |
| C4 | C3 | C5 | 106.6° | 109.5° |
| C4 | C3 | H4 | 109.0° | 109.5° |
| C3 | C4 | C6 | 112.5° | 109.5° |
| C3 | C4 | H5 | 108.7° | 109.5° |
| C3 | C4 | H6 | 108.7° | 109.4° |
| C5 | C3 | H4 | 109.2° | 109.5° |
| C3 | C5 | H7 | 109.5° | 109.5° |
| C3 | C5 | H8 | 109.5° | 109.5° |
| C3 | C5 | H9 | 109.5° | 109.5° |
| C6 | C4 | H5 | 108.7° | 109.5° |
| C6 | C4 | H6 | 108.7° | 109.5° |
| C4 | C6 | H10 | 109.5° | 109.5° |
| C4 | C6 | H11 | 109.5° | 109.5° |
| C4 | C6 | H12 | 109.4° | 109.4° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.4° | 109.5° |
| H7 | C5 | H9 | 109.4° | 109.4° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H10 | C6 | H12 | 109.5° | 109.5° |
| H11 | C6 | H12 | 109.5° | 109.5° |
| N2 | C7 | C8 | 110.2° | 109.5° |
| N2 | C7 | C17 | 110.0° | 109.5° |
| C7 | N2 | H13 | 127.9° | 120.0° |
| N2 | C7 | H14 | 109.9° | 109.4° |
| C7 | N2 | C2 | 104.1° | 120.0° |
| C8 | C7 | C17 | 109.0° | 109.5° |
| C7 | C8 | C9 | 115.2° | 109.5° |
| C8 | C7 | H14 | 108.7° | 109.5° |
| C7 | C8 | H15 | 108.0° | 109.4° |
| C7 | C8 | H16 | 108.0° | 109.4° |
| C7 | C17 | C18 | 116.1° | 109.5° |
| C17 | C7 | H14 | 109.0° | 109.4° |
| C7 | C17 | H17 | 107.8° | 109.5° |
| C7 | C17 | H18 | 107.8° | 109.4° |
| C8 | C9 | C10 | 127.1° | 126.5° |
| C8 | C9 | C16 | 126.9° | 126.5° |
| C9 | C8 | H15 | 108.0° | 109.5° |
| C9 | C8 | H16 | 108.0° | 109.5° |
| C10 | C9 | C16 | 106.0° | 107.0° |
| C9 | C10 | C11 | 134.1° | 134.0° |
| C9 | C10 | C15 | 107.3° | 106.0° |
| C9 | C16 | N3 | 110.3° | 109.9° |
| C9 | C16 | H19 | 124.8° | 125.0° |
| C11 | C10 | C15 | 118.7° | 120.0° |
| C10 | C11 | C12 | 119.4° | 119.8° |
| C10 | C11 | H20 | 120.3° | 120.1° |
| C10 | C15 | C14 | 121.9° | 119.3° |
| C10 | C15 | N3 | 107.6° | 107.2° |
| C11 | C12 | C13 | 120.8° | 120.5° |
| C12 | C11 | H20 | 120.3° | 120.1° |
| C11 | C12 | H21 | 119.6° | 119.8° |
| C12 | C13 | C14 | 121.7° | 120.7° |
| C13 | C12 | H21 | 119.6° | 119.7° |
| C12 | C13 | H22 | 119.1° | 119.7° |
| C13 | C14 | C15 | 117.5° | 119.8° |
| C14 | C13 | H22 | 119.2° | 119.6° |
| C13 | C14 | H23 | 121.3° | 120.2° |
| C14 | C15 | N3 | 130.5° | 133.5° |
| C15 | C14 | H23 | 121.2° | 120.1° |
| C15 | N3 | C16 | 108.9° | 109.9° |
| C15 | N3 | H24 | 125.5° | 125.1° |
| N3 | C16 | H19 | 124.9° | 125.1° |
| C16 | N3 | H24 | 125.6° | 125.0° |
| C17 | C18 | O2 | 120.9° | 120.0° |
| C18 | C17 | H17 | 107.8° | 109.5° |
| C18 | C17 | H18 | 107.8° | 109.5° |
| C17 | C18 | N4 | 116.9° | 120.0° |
| O2 | C18 | N4 | 122.2° | 120.0° |
| H13 | N2 | C2 | 127.9° | 120.0° |
| H15 | C8 | H16 | 109.5° | 109.4° |
| H17 | C17 | H18 | 109.5° | 109.4° |
| C19 | N4 | H25 | 119.5° | 120.0° |
| N4 | C19 | C20 | 113.6° | 109.5° |
| N4 | C19 | C21 | 111.4° | 109.5° |
| N4 | C19 | H26 | 107.6° | 109.5° |
| C19 | N4 | C18 | 120.9° | 120.0° |
| H25 | N4 | C18 | 119.6° | 120.0° |
| C20 | C19 | C21 | 110.2° | 109.5° |
| C20 | C19 | H26 | 106.8° | 109.5° |
| C19 | C20 | O3 | 120.2° | 120.0° |
| C19 | C20 | N5 | 116.8° | 120.0° |
| C21 | C19 | H26 | 106.8° | 109.5° |
| C19 | C21 | C22 | 109.6° | 109.4° |
| C19 | C21 | C23 | 110.9° | 109.4° |
| C19 | C21 | H27 | 108.7° | 109.5° |
| O3 | C20 | N5 | 123.0° | 120.0° |
| C22 | C21 | C23 | 110.2° | 109.5° |
| C22 | C21 | H27 | 108.6° | 109.5° |
| C21 | C22 | C24 | 113.5° | 109.4° |
| C21 | C22 | H28 | 108.5° | 109.4° |
| C21 | C22 | H29 | 108.4° | 109.5° |
| C23 | C21 | H27 | 108.8° | 109.5° |
| C21 | C23 | H30 | 109.5° | 109.4° |
| C21 | C23 | H31 | 109.4° | 109.5° |
| C21 | C23 | H32 | 109.5° | 109.5° |
| C24 | C22 | H28 | 108.4° | 109.5° |
| C24 | C22 | H29 | 108.4° | 109.5° |
| C22 | C24 | H33 | 109.5° | 109.5° |
| C22 | C24 | H34 | 109.5° | 109.4° |
| C22 | C24 | H35 | 109.5° | 109.4° |
| H28 | C22 | H29 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.4° |
| H30 | C23 | H32 | 109.5° | 109.4° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| H33 | C24 | H34 | 109.4° | 109.5° |
| H33 | C24 | H35 | 109.5° | 109.5° |
| H34 | C24 | H35 | 109.5° | 109.5° |
| C25 | N5 | H36 | 119.2° | 119.9° |
| N5 | C25 | C26 | 112.9° | 109.5° |
| N5 | C25 | C27 | 110.5° | 109.5° |
| N5 | C25 | H37 | 108.2° | 109.4° |
| C25 | N5 | C20 | 121.6° | 120.0° |
| H36 | N5 | C20 | 119.2° | 120.1° |
| C26 | C25 | C27 | 110.1° | 109.5° |
| C26 | C25 | H37 | 107.5° | 109.4° |
| C25 | C26 | O4 | 120.4° | 120.0° |
| C25 | C26 | N6 | 116.2° | 120.0° |
| C27 | C25 | H37 | 107.5° | 109.5° |
| C25 | C27 | H38 | 109.5° | 109.5° |
| C25 | C27 | H39 | 109.4° | 109.5° |
| C25 | C27 | H40 | 109.5° | 109.5° |
| O4 | C26 | N6 | 123.3° | 120.0° |
| H38 | C27 | H39 | 109.5° | 109.5° |
| H38 | C27 | H40 | 109.5° | 109.4° |
| H39 | C27 | H40 | 109.5° | 109.5° |
| C28 | N6 | H41 | 119.0° | 120.0° |
| N6 | C28 | C29 | 110.9° | 109.5° |
| N6 | C28 | C30 | 110.4° | 109.4° |
| N6 | C28 | H42 | 108.2° | 109.5° |
| C28 | N6 | C26 | 121.9° | 120.0° |
| H41 | N6 | C26 | 119.1° | 120.0° |
| C29 | C28 | C30 | 112.2° | 109.5° |
| C29 | C28 | H42 | 107.5° | 109.5° |
| C28 | C29 | O5 | 120.7° | 120.0° |
| C28 | C29 | N8 | 115.2° | 120.0° |
| C30 | C28 | H42 | 107.5° | 109.5° |
| C28 | C30 | C31 | 111.6° | 109.5° |
| C28 | C30 | H43 | 108.9° | 109.5° |
| C28 | C30 | H44 | 108.9° | 109.5° |
| O5 | C29 | N8 | 124.0° | 120.0° |
| C31 | C30 | H43 | 108.9° | 109.5° |
| C31 | C30 | H44 | 108.9° | 109.5° |
| C30 | C31 | C32 | 112.9° | 109.5° |
| C30 | C31 | H45 | 108.6° | 109.5° |
| C30 | C31 | H46 | 108.6° | 109.5° |
| H43 | C30 | H44 | 109.4° | 109.5° |
| C32 | C31 | H45 | 108.6° | 109.5° |
| C32 | C31 | H46 | 108.6° | 109.5° |
| C31 | C32 | O6 | 121.2° | 120.0° |
| C31 | C32 | N7 | 116.1° | 120.0° |
| H45 | C31 | H46 | 109.5° | 109.5° |
| O6 | C32 | N7 | 122.8° | 120.1° |
| C32 | N7 | H47 | 120.0° | 120.0° |
| C32 | N7 | H48 | 120.0° | 120.0° |
| H47 | N7 | H48 | 120.0° | 120.0° |
| C33 | N8 | H49 | 124.9° | 120.0° |
| N8 | C33 | C34 | 114.4° | 109.5° |
| N8 | C33 | C37 | 110.2° | 109.5° |
| N8 | C33 | H50 | 109.5° | 109.4° |
| C33 | N8 | C29 | 110.3° | 120.0° |
| H49 | N8 | C29 | 124.8° | 119.9° |
| C34 | C33 | C37 | 105.2° | 109.5° |
| C34 | C33 | H50 | 108.6° | 109.5° |
| C33 | C34 | C35 | 117.4° | 109.5° |
| C33 | C34 | H51 | 107.4° | 109.5° |
| C33 | C34 | H52 | 107.5° | 109.5° |
| C37 | C33 | H50 | 108.8° | 109.5° |
| C33 | C37 | C38 | 114.3° | 109.5° |
| C33 | C37 | H56 | 108.2° | 109.5° |
| C33 | C37 | H57 | 108.3° | 109.5° |
| C35 | C34 | H51 | 107.5° | 109.5° |
| C35 | C34 | H52 | 107.5° | 109.5° |
| C34 | C35 | C36 | 115.7° | 109.4° |
| C34 | C35 | H53 | 107.9° | 109.5° |
| C34 | C35 | H54 | 107.9° | 109.5° |
| H51 | C34 | H52 | 109.5° | 109.5° |
| C36 | C35 | H53 | 107.9° | 109.5° |
| C36 | C35 | H54 | 107.9° | 109.4° |
| C35 | C36 | O7 | 122.0° | 120.0° |
| C35 | C36 | O8 | 115.7° | 120.0° |
| H53 | C35 | H54 | 109.5° | 109.5° |
| O7 | C36 | O8 | 122.3° | 120.0° |
| C36 | O8 | H55 | 109.5° | 117.0° |
| C38 | C37 | H56 | 108.2° | 109.5° |
| C38 | C37 | H57 | 108.3° | 109.5° |
| C37 | C38 | O9 | 119.9° | 120.0° |
| C37 | C38 | N9 | 116.4° | 120.0° |
| H56 | C37 | H57 | 109.5° | 109.5° |
| O9 | C38 | N9 | 123.7° | 119.9° |
| C39 | N9 | H58 | 118.5° | 120.0° |
| N9 | C39 | C40 | 113.1° | 109.5° |
| N9 | C39 | C41 | 111.5° | 109.5° |
| N9 | C39 | H59 | 108.3° | 109.4° |
| C39 | N9 | C38 | 122.9° | 120.0° |
| H58 | N9 | C38 | 118.5° | 120.0° |
| C40 | C39 | C41 | 108.5° | 109.5° |
| C40 | C39 | H59 | 107.7° | 109.5° |
| C39 | C40 | O10 | 119.2° | 120.0° |
| C39 | C40 | N10 | 118.0° | 120.0° |
| C41 | C39 | H59 | 107.5° | 109.5° |
| C39 | C41 | C42 | 115.8° | 109.5° |
| C39 | C41 | H60 | 107.9° | 109.5° |
| C39 | C41 | H61 | 107.9° | 109.4° |
| O10 | C40 | N10 | 122.8° | 120.0° |
| C42 | C41 | H60 | 107.9° | 109.5° |
| C42 | C41 | H61 | 107.9° | 109.5° |
| C41 | C42 | C43 | 109.1° | 109.5° |
| C41 | C42 | C44 | 110.6° | 109.4° |
| C41 | C42 | H62 | 108.6° | 109.5° |
| H60 | C41 | H61 | 109.5° | 109.5° |
| C43 | C42 | C44 | 111.3° | 109.5° |
| C43 | C42 | H62 | 108.8° | 109.5° |
| C42 | C43 | H63 | 109.5° | 109.5° |
| C42 | C43 | H64 | 109.5° | 109.5° |
| C42 | C43 | H65 | 109.4° | 109.5° |
| C44 | C42 | H62 | 108.5° | 109.5° |
| C42 | C44 | H66 | 109.5° | 109.5° |
| C42 | C44 | H67 | 109.4° | 109.4° |
| C42 | C44 | H68 | 109.5° | 109.5° |
| H63 | C43 | H64 | 109.5° | 109.5° |
| H63 | C43 | H65 | 109.5° | 109.4° |
| H64 | C43 | H65 | 109.5° | 109.4° |
| H66 | C44 | H67 | 109.5° | 109.5° |
| H66 | C44 | H68 | 109.5° | 109.5° |
| H67 | C44 | H68 | 109.5° | 109.5° |
| C45 | N10 | H69 | 120.6° | 120.0° |
| N10 | C45 | C46 | 113.8° | 109.4° |
| N10 | C45 | C47 | 111.9° | 109.5° |
| N10 | C45 | H70 | 107.4° | 109.4° |
| C45 | N10 | C40 | 118.8° | 120.0° |
| H69 | N10 | C40 | 120.6° | 120.0° |
| C46 | C45 | C47 | 110.1° | 109.5° |
| C46 | C45 | H70 | 106.6° | 109.4° |
| C45 | C46 | O11 | 121.6° | 120.0° |
| C45 | C46 | N14 | 115.7° | 120.0° |
| C47 | C45 | H70 | 106.6° | 109.5° |
| C45 | C47 | C48 | 111.9° | 109.5° |
| C45 | C47 | H71 | 108.9° | 109.5° |
| C45 | C47 | H72 | 108.9° | 109.5° |
| O11 | C46 | N14 | 122.7° | 120.0° |
| C48 | C47 | H71 | 108.8° | 109.5° |
| C48 | C47 | H72 | 108.8° | 109.5° |
| C47 | C48 | C49 | 110.9° | 109.5° |
| C47 | C48 | H73 | 109.1° | 109.5° |
| C47 | C48 | H74 | 109.1° | 109.4° |
| H71 | C47 | H72 | 109.5° | 109.4° |
| C49 | C48 | H73 | 109.1° | 109.5° |
| C49 | C48 | H74 | 109.1° | 109.5° |
| C48 | C49 | N11 | 114.0° | 109.5° |
| C48 | C49 | H75 | 108.3° | 109.5° |
| C48 | C49 | H76 | 108.3° | 109.4° |
| H73 | C48 | H74 | 109.5° | 109.4° |
| N11 | C49 | H75 | 108.3° | 109.5° |
| N11 | C49 | H76 | 108.3° | 109.5° |
| C49 | N11 | C50 | 124.1° | 120.0° |
| C49 | N11 | H77 | 117.9° | 120.0° |
| H75 | C49 | H76 | 109.5° | 109.5° |
| C50 | N11 | H77 | 118.0° | 120.0° |
| N11 | C50 | N12 | 120.8° | 120.0° |
| N11 | C50 | N13 | 120.1° | 120.0° |
| N12 | C50 | N13 | 119.0° | 120.0° |
| C50 | N12 | H78 | 120.0° | 120.0° |
| C50 | N12 | H79 | 120.0° | 120.0° |
| C50 | N13 | H80 | 120.0° | 120.0° |
| C50 | N13 | H81 | 120.0° | 120.0° |
| H78 | N12 | H79 | 119.9° | 119.9° |
| H80 | N13 | H81 | 120.0° | 120.0° |
| C51 | N14 | H82 | 119.2° | 120.0° |
| N14 | C51 | C52 | 110.6° | 109.5° |
| N14 | C51 | C53 | 107.5° | 109.4° |
| N14 | C51 | H83 | 110.1° | 109.5° |
| C51 | N14 | C46 | 121.7° | 120.0° |
| H82 | N14 | C46 | 119.1° | 120.0° |
| C52 | C51 | C53 | 110.5° | 109.5° |
| C52 | C51 | H83 | 109.0° | 109.5° |
| C51 | C52 | O12 | 121.5° | 120.0° |
| C51 | C52 | N18 | 115.1° | 120.0° |
| C53 | C51 | H83 | 109.0° | 109.5° |
| C51 | C53 | C54 | 116.3° | 109.5° |
| C51 | C53 | H84 | 107.8° | 109.5° |
| C51 | C53 | H85 | 107.8° | 109.5° |
| O12 | C52 | N18 | 123.3° | 120.0° |
| C54 | C53 | H84 | 107.7° | 109.5° |
| C54 | C53 | H85 | 107.8° | 109.5° |
| C53 | C54 | C55 | 110.6° | 109.5° |
| C53 | C54 | H86 | 109.2° | 109.5° |
| C53 | C54 | H87 | 109.2° | 109.5° |
| H84 | C53 | H85 | 109.4° | 109.5° |
| C55 | C54 | H86 | 109.2° | 109.5° |
| C55 | C54 | H87 | 109.2° | 109.5° |
| C54 | C55 | N15 | 109.6° | 109.5° |
| C54 | C55 | H88 | 109.4° | 109.5° |
| C54 | C55 | H89 | 109.4° | 109.5° |
| H86 | C54 | H87 | 109.5° | 109.5° |
| N15 | C55 | H88 | 109.4° | 109.5° |
| N15 | C55 | H89 | 109.4° | 109.4° |
| C55 | N15 | C56 | 125.2° | 120.0° |
| C55 | N15 | H90 | 117.4° | 120.0° |
| H88 | C55 | H89 | 109.5° | 109.5° |
| C56 | N15 | H90 | 117.4° | 120.0° |
| N15 | C56 | N16 | 120.8° | 120.0° |
| N15 | C56 | N17 | 120.3° | 120.0° |
| N16 | C56 | N17 | 118.9° | 120.0° |
| C56 | N16 | H91 | 120.0° | 120.0° |
| C56 | N16 | H92 | 120.0° | 120.0° |
| C56 | N17 | H93 | 120.0° | 120.0° |
| C56 | N17 | H94 | 120.0° | 120.0° |
| H91 | N16 | H92 | 120.0° | 120.0° |
| H93 | N17 | H94 | 120.0° | 120.0° |
| O13 | C57 | C58 | 120.6° | 120.1° |
| O13 | C57 | N19 | 122.4° | 120.0° |
| C57 | C58 | C59 | 108.6° | 109.4° |
| C57 | C58 | H95 | 109.7° | 109.4° |
| C57 | C58 | H96 | 109.7° | 109.5° |
| C58 | C57 | N19 | 117.0° | 120.0° |
| C59 | C58 | H95 | 109.7° | 109.5° |
| C58 | C59 | H97 | 107.6° | 109.4° |
| C58 | C59 | N18 | 112.5° | 109.5° |
| C58 | C59 | C60 | 118.4° | 109.5° |
| C59 | C58 | H96 | 109.7° | 109.5° |
| H95 | C58 | H96 | 109.4° | 109.5° |
| H97 | C59 | N18 | 108.7° | 109.4° |
| H97 | C59 | C60 | 107.4° | 109.5° |
| N18 | C59 | C60 | 101.8° | 109.5° |
| C59 | N18 | H98 | 118.7° | 120.0° |
| C59 | N18 | C52 | 122.6° | 120.0° |
| C59 | C60 | C62 | 110.2° | 109.4° |
| C59 | C60 | C61 | 121.1° | 109.5° |
| C59 | C60 | H99 | 104.5° | 109.4° |
| C62 | C60 | C61 | 110.0° | 109.5° |
| C60 | C62 | C63 | 106.1° | 109.5° |
| C62 | C60 | H99 | 104.9° | 109.5° |
| C60 | C62 | H103 | 110.3° | 109.5° |
| C60 | C62 | H104 | 110.3° | 109.5° |
| C60 | C61 | H102 | 109.5° | 109.5° |
| C60 | C61 | H100 | 109.4° | 109.5° |
| C61 | C60 | H99 | 104.6° | 109.5° |
| C60 | C61 | H101 | 109.5° | 109.5° |
| H102 | C61 | H100 | 109.5° | 109.4° |
| H102 | C61 | H101 | 109.5° | 109.4° |
| H100 | C61 | H101 | 109.4° | 109.5° |
| C62 | C63 | H106 | 109.5° | 109.5° |
| C62 | C63 | H105 | 109.5° | 109.5° |
| C63 | C62 | H103 | 110.3° | 109.5° |
| C63 | C62 | H104 | 110.3° | 109.4° |
| C62 | C63 | H107 | 109.5° | 109.5° |
| H106 | C63 | H105 | 109.4° | 109.4° |
| H106 | C63 | H107 | 109.5° | 109.4° |
| H105 | C63 | H107 | 109.4° | 109.5° |
| H98 | N18 | C52 | 118.7° | 120.0° |
| H103 | C62 | H104 | 109.5° | 109.5° |
| C64 | N19 | H108 | 119.3° | 120.0° |
| N19 | C64 | C65 | 117.8° | 109.5° |
| N19 | C64 | H109 | 107.3° | 109.5° |
| N19 | C64 | H110 | 107.3° | 109.5° |
| C64 | N19 | C57 | 121.4° | 120.0° |
| H108 | N19 | C57 | 119.3° | 120.0° |
| C65 | C64 | H109 | 107.3° | 109.5° |
| C65 | C64 | H110 | 107.3° | 109.5° |
| C64 | C65 | O14 | 120.7° | 120.0° |
| C64 | C65 | N20 | 117.1° | 120.0° |
| H109 | C64 | H110 | 109.5° | 109.5° |
| O14 | C65 | N20 | 122.2° | 120.0° |
| C66 | N20 | H111 | 119.6° | 120.0° |
| N20 | C66 | C67 | 112.7° | 109.5° |
| N20 | C66 | C68 | 111.2° | 109.4° |
| N20 | C66 | H112 | 108.1° | 109.4° |
| C66 | N20 | C65 | 120.8° | 120.0° |
| H111 | N20 | C65 | 119.6° | 120.1° |
| C67 | C66 | C68 | 109.9° | 109.5° |
| C67 | C66 | H112 | 107.4° | 109.5° |
| C66 | C67 | O15 | 120.6° | 120.1° |
| C66 | C67 | N21 | 116.1° | 120.0° |
| C68 | C66 | H112 | 107.3° | 109.5° |
| C66 | C68 | C69 | 112.6° | 109.5° |
| C66 | C68 | H113 | 108.7° | 109.5° |
| C66 | C68 | H114 | 108.7° | 109.4° |
| O15 | C67 | N21 | 123.3° | 120.0° |
| C69 | C68 | H113 | 108.7° | 109.5° |
| C69 | C68 | H114 | 108.7° | 109.5° |
| C68 | C69 | O16 | 118.9° | 120.0° |
| C68 | C69 | O17 | 118.0° | 120.0° |
| H113 | C68 | H114 | 109.5° | 109.5° |
| O16 | C69 | O17 | 123.1° | 120.0° |
| C69 | O17 | H115 | 109.5° | 117.0° |
| C70 | N21 | H116 | 119.0° | 120.0° |
| N21 | C70 | C71 | 109.0° | 109.5° |
| N21 | C70 | C72 | 110.3° | 109.4° |
| N21 | C70 | H117 | 109.9° | 109.5° |
| C70 | N21 | C67 | 122.1° | 120.0° |
| H116 | N21 | C67 | 119.0° | 120.0° |
| C71 | C70 | C72 | 109.6° | 109.5° |
| C71 | C70 | H117 | 109.2° | 109.5° |
| C70 | C71 | O18 | 120.9° | 120.0° |
| C70 | C71 | N22 | 115.1° | 120.0° |
| C72 | C70 | H117 | 108.9° | 109.5° |
| C70 | C72 | C73 | 115.0° | 109.5° |
| C70 | C72 | H118 | 108.1° | 109.5° |
| C70 | C72 | H119 | 108.1° | 109.4° |
| O18 | C71 | N22 | 124.0° | 120.0° |
| C73 | C72 | H118 | 108.1° | 109.4° |
| C73 | C72 | H119 | 108.1° | 109.5° |
| C72 | C73 | C74 | 112.7° | 109.4° |
| C72 | C73 | H120 | 108.6° | 109.4° |
| C72 | C73 | H121 | 108.6° | 109.4° |
| H118 | C72 | H119 | 109.5° | 109.5° |
| C74 | C73 | H120 | 108.7° | 109.5° |
| C74 | C73 | H121 | 108.7° | 109.5° |
| C73 | C74 | O19 | 118.4° | 120.0° |
| C73 | C74 | O20 | 119.0° | 119.9° |
| H120 | C73 | H121 | 109.5° | 109.5° |
| O19 | C74 | O20 | 122.6° | 120.0° |
| C74 | O20 | H122 | 109.5° | 117.0° |
| C75 | N22 | H123 | 118.5° | 120.0° |
| N22 | C75 | C76 | 108.0° | 109.5° |
| N22 | C75 | C83 | 107.9° | 109.5° |
| N22 | C75 | H124 | 110.7° | 109.5° |
| C75 | N22 | C71 | 122.9° | 120.0° |
| H123 | N22 | C71 | 118.6° | 120.0° |
| C76 | C75 | C83 | 110.9° | 109.5° |
| C76 | C75 | H124 | 109.6° | 109.5° |
| C75 | C76 | C77 | 115.3° | 109.5° |
| C75 | C76 | H125 | 108.0° | 109.5° |
| C75 | C76 | H126 | 108.0° | 109.5° |
| C83 | C75 | H124 | 109.7° | 109.5° |
| C75 | C83 | C84 | 113.0° | 109.5° |
| C75 | C83 | H132 | 108.6° | 109.5° |
| C75 | C83 | H133 | 108.6° | 109.5° |
| C77 | C76 | H125 | 108.0° | 109.5° |
| C77 | C76 | H126 | 108.0° | 109.5° |
| C76 | C77 | C78 | 120.2° | 120.0° |
| C76 | C77 | C82 | 120.6° | 120.0° |
| H125 | C76 | H126 | 109.5° | 109.4° |
| C78 | C77 | C82 | 119.1° | 120.0° |
| C77 | C78 | C79 | 119.9° | 120.0° |
| C77 | C78 | H127 | 120.0° | 120.0° |
| C77 | C82 | C81 | 120.9° | 120.0° |
| C77 | C82 | H131 | 119.6° | 120.0° |
| C79 | C78 | H127 | 120.1° | 120.0° |
| C78 | C79 | C80 | 120.7° | 120.0° |
| C78 | C79 | H128 | 119.7° | 120.0° |
| C80 | C79 | H128 | 119.7° | 120.0° |
| C79 | C80 | C81 | 119.4° | 120.0° |
| C79 | C80 | H129 | 120.3° | 120.0° |
| C81 | C80 | H129 | 120.3° | 120.0° |
| C80 | C81 | C82 | 119.9° | 120.0° |
| C80 | C81 | H130 | 120.0° | 120.0° |
| C82 | C81 | H130 | 120.0° | 120.0° |
| C81 | C82 | H131 | 119.6° | 120.0° |
| C84 | C83 | H132 | 108.6° | 109.5° |
| C84 | C83 | H133 | 108.6° | 109.5° |
| C83 | C84 | O21 | 121.3° | 120.0° |
| C83 | C84 | N23 | 115.3° | 120.0° |
| H132 | C83 | H133 | 109.5° | 109.4° |
| O21 | C84 | N23 | 123.4° | 120.0° |
| C85 | N23 | H134 | 117.9° | 120.0° |
| N23 | C85 | C86 | 118.9° | 109.5° |
| N23 | C85 | C87 | 109.5° | 109.5° |
| N23 | C85 | H135 | 106.3° | 109.5° |
| C85 | N23 | C84 | 124.2° | 120.0° |
| H134 | N23 | C84 | 117.9° | 120.0° |
| C86 | C85 | C87 | 110.2° | 109.5° |
| C86 | C85 | H135 | 105.5° | 109.5° |
| C85 | C86 | O22 | 120.2° | 120.0° |
| C85 | C86 | N25 | 117.1° | 120.0° |
| C87 | C85 | H135 | 105.5° | 109.5° |
| C85 | C87 | C88 | 112.5° | 109.5° |
| C85 | C87 | H136 | 108.7° | 109.5° |
| C85 | C87 | H137 | 108.7° | 109.5° |
| O22 | C86 | N25 | 122.7° | 120.0° |
| C88 | C87 | H136 | 108.7° | 109.5° |
| C88 | C87 | H137 | 108.7° | 109.4° |
| C87 | C88 | O23 | 121.1° | 120.0° |
| C87 | C88 | N24 | 116.2° | 120.0° |
| H136 | C87 | H137 | 109.5° | 109.4° |
| O23 | C88 | N24 | 122.6° | 120.0° |
| C88 | N24 | H138 | 120.0° | 120.0° |
| C88 | N24 | H139 | 120.0° | 120.0° |
| H138 | N24 | H139 | 120.0° | 120.0° |
| C89 | N25 | H140 | 119.5° | 120.0° |
| N25 | C89 | C90 | 114.2° | 109.5° |
| N25 | C89 | C91 | 110.7° | 109.5° |
| N25 | C89 | H141 | 107.4° | 109.5° |
| C89 | N25 | C86 | 121.0° | 120.0° |
| H140 | N25 | C86 | 119.5° | 120.1° |
| C90 | C89 | C91 | 111.0° | 109.5° |
| C90 | C89 | H141 | 106.5° | 109.5° |
| C89 | C90 | O24 | 120.6° | 120.0° |
| C89 | C90 | N26 | 117.2° | 120.0° |
| C91 | C89 | H141 | 106.6° | 109.4° |
| C89 | C91 | H142 | 109.5° | 109.5° |
| C89 | C91 | H143 | 109.5° | 109.5° |
| C89 | C91 | H144 | 109.5° | 109.5° |
| O24 | C90 | N26 | 122.2° | 120.1° |
| H142 | C91 | H143 | 109.4° | 109.4° |
| H142 | C91 | H144 | 109.4° | 109.5° |
| H143 | C91 | H144 | 109.4° | 109.5° |
| C92 | N26 | H145 | 119.3° | 120.0° |
| N26 | C92 | C93 | 115.1° | 109.5° |
| N26 | C92 | C94 | 109.7° | 109.5° |
| N26 | C92 | H146 | 108.1° | 109.5° |
| C92 | N26 | C90 | 121.5° | 120.0° |
| H145 | N26 | C90 | 119.2° | 120.0° |
| C93 | C92 | C94 | 109.2° | 109.5° |
| C93 | C92 | H146 | 107.3° | 109.5° |
| C92 | C93 | O25 | 119.9° | 120.0° |
| C92 | C93 | N27 | 117.6° | 120.0° |
| C94 | C92 | H146 | 107.1° | 109.5° |
| C92 | C94 | C95 | 113.5° | 109.5° |
| C92 | C94 | H147 | 108.4° | 109.4° |
| C92 | C94 | H148 | 108.4° | 109.5° |
| O25 | C93 | N27 | 122.4° | 120.0° |
| C95 | C94 | H147 | 108.4° | 109.5° |
| C95 | C94 | H148 | 108.5° | 109.5° |
| C94 | C95 | C96 | 121.0° | 119.9° |
| C94 | C95 | C97 | 121.0° | 119.9° |
| H147 | C94 | H148 | 109.5° | 109.5° |
| C96 | C95 | C97 | 118.0° | 120.2° |
| C95 | C96 | C98 | 121.2° | 120.0° |
| C95 | C96 | H149 | 119.4° | 120.0° |
| C95 | C97 | C99 | 121.2° | 120.0° |
| C95 | C97 | H150 | 119.4° | 120.0° |
| C98 | C96 | H149 | 119.4° | 119.9° |
| C96 | C98 | C100 | 119.4° | 119.9° |
| C96 | C98 | H151 | 120.3° | 120.0° |
| C99 | C97 | H150 | 119.4° | 120.0° |
| C97 | C99 | C100 | 120.0° | 120.0° |
| C97 | C99 | H152 | 120.0° | 120.0° |
| C100 | C98 | H151 | 120.3° | 120.0° |
| C98 | C100 | C99 | 120.1° | 119.9° |
| C98 | C100 | O26 | 119.9° | 120.0° |
| C100 | C99 | H152 | 120.0° | 120.0° |
| C99 | C100 | O26 | 120.0° | 120.1° |
| C100 | O26 | H153 | 109.5° | 114.0° |
| O27 | C101 | C102 | 120.7° | 120.0° |
| O27 | C101 | N28 | 123.4° | 120.0° |
| C101 | C102 | C103 | 106.7° | 109.5° |
| C101 | C102 | H154 | 110.2° | 109.5° |
| C101 | C102 | H155 | 110.2° | 109.5° |
| C102 | C101 | N28 | 115.8° | 120.0° |
| C103 | C102 | H154 | 110.2° | 109.4° |
| C103 | C102 | H155 | 110.2° | 109.5° |
| C102 | C103 | C104 | 107.8° | 109.5° |
| C102 | C103 | N27 | 109.4° | 109.5° |
| C102 | C103 | H156 | 109.2° | 109.5° |
| H154 | C102 | H155 | 109.4° | 109.5° |
| C104 | C103 | N27 | 111.2° | 109.5° |
| C104 | C103 | H156 | 109.1° | 109.4° |
| C103 | C104 | C105 | 110.9° | 109.4° |
| C103 | C104 | H158 | 109.1° | 109.4° |
| C103 | C104 | H159 | 109.1° | 109.5° |
| N27 | C103 | H156 | 110.1° | 109.5° |
| C103 | N27 | H157 | 119.3° | 120.0° |
| C103 | N27 | C93 | 121.4° | 120.0° |
| H157 | N27 | C93 | 119.3° | 120.0° |
| C105 | C104 | H158 | 109.1° | 109.5° |
| C105 | C104 | H159 | 109.1° | 109.5° |
| C104 | C105 | C106 | 120.3° | 120.0° |
| C104 | C105 | C110 | 119.4° | 119.9° |
| H158 | C104 | H159 | 109.5° | 109.5° |
| C106 | C105 | C110 | 120.3° | 120.1° |
| C105 | C106 | C107 | 120.1° | 120.0° |
| C105 | C106 | H160 | 119.9° | 120.0° |
| C105 | C110 | C109 | 119.7° | 120.1° |
| C105 | C110 | H164 | 120.2° | 120.0° |
| C107 | C106 | H160 | 120.0° | 120.0° |
| C106 | C107 | C108 | 119.4° | 120.0° |
| C106 | C107 | H161 | 120.3° | 120.0° |
| C108 | C107 | H161 | 120.3° | 120.0° |
| C107 | C108 | C109 | 120.2° | 119.9° |
| C107 | C108 | O28 | 120.5° | 120.1° |
| C109 | C108 | O28 | 119.3° | 120.1° |
| C108 | C109 | C110 | 120.4° | 119.9° |
| C108 | C109 | H163 | 119.8° | 120.0° |
| C108 | O28 | H162 | 109.5° | 114.0° |
| C110 | C109 | H163 | 119.8° | 120.1° |
| C109 | C110 | H164 | 120.1° | 120.0° |
| H165 | N28 | H166 | 120.0° | 120.0° |
| H165 | N28 | C101 | 120.0° | 120.0° |
| H166 | N28 | C101 | 120.0° | 120.0° |
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 | 126.9° | 120.0° |
| N1 | C1 | C2 | H3 | 118.8° | 120.0° |
| N1 | C1 | C3 | H3 | 116.6° | 119.9° |
| N1 | C1 | C2 | O1 | 12.5° | 20.0° |
| N1 | C1 | C3 | C4 | 147.7° | 60.0° |
| N1 | C1 | C3 | C5 | 92.9° | 180.0° |
| N1 | C1 | C3 | H4 | 27.9° | 60.1° |
| N1 | C1 | C2 | N2 | 166.4° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 63.9° |
| H1 | N1 | C1 | C3 | 54.2° | 176.0° |
| H1 | N1 | C1 | H3 | 61.7° | 56.1° |
| H2 | N1 | C1 | C2 | 60.0° | 60.0° |
| H2 | N1 | C1 | C3 | 174.2° | 60.0° |
| H2 | N1 | C1 | H3 | 58.3° | 179.9° |
| C2 | C1 | C3 | H3 | 114.4° | 120.0° |
| C1 | C2 | O1 | N2 | 178.8° | 180.0° |
| C2 | C1 | C3 | C4 | 83.2° | 180.0° |
| C2 | C1 | C3 | C5 | 36.1° | 60.0° |
| C2 | C1 | C3 | H4 | 157.0° | 60.0° |
| C1 | C2 | N2 | C7 | 159.0° | 180.0° |
| C1 | C2 | N2 | H13 | 21.0° | 0.0° |
| C3 | C1 | C2 | O1 | 114.4° | 100.0° |
| C1 | C3 | C4 | C5 | 122.7° | 120.0° |
| C1 | C3 | C4 | H4 | 119.5° | 120.0° |
| C1 | C3 | C5 | H4 | 120.4° | 120.0° |
| C1 | C3 | C4 | C6 | 175.5° | 175.0° |
| C1 | C3 | C4 | H5 | 55.1° | 64.9° |
| C1 | C3 | C4 | H6 | 64.1° | 55.0° |
| C1 | C3 | C5 | H7 | 180.0° | 180.0° |
| C1 | C3 | C5 | H8 | 60.0° | 60.0° |
| C1 | C3 | C5 | H9 | 60.0° | 60.1° |
| C3 | C1 | C2 | N2 | 66.7° | 80.0° |
| H3 | C1 | C2 | O1 | 131.3° | 140.0° |
| H3 | C1 | C3 | C4 | 31.2° | 59.9° |
| H3 | C1 | C3 | C5 | 150.5° | 60.0° |
| H3 | C1 | C3 | H4 | 88.6° | 180.0° |
| H3 | C1 | C2 | N2 | 47.6° | 40.0° |
| O1 | C2 | N2 | C7 | 19.9° | 0.0° |
| O1 | C2 | N2 | H13 | 160.1° | 180.0° |
| C4 | C3 | C5 | H4 | 117.6° | 120.0° |
| C3 | C4 | C6 | H5 | 120.4° | 120.0° |
| C3 | C4 | C6 | H6 | 120.4° | 119.9° |
| C3 | C4 | H5 | H6 | 118.6° | 119.9° |
| C4 | C3 | C5 | H7 | 58.1° | 60.0° |
| C4 | C3 | C5 | H8 | 178.0° | 180.0° |
| C4 | C3 | C5 | H9 | 61.9° | 60.0° |
| C3 | C4 | C6 | H10 | 180.0° | 60.0° |
| C3 | C4 | C6 | H11 | 60.0° | 60.0° |
| C3 | C4 | C6 | H12 | 60.0° | 180.0° |
| C5 | C3 | C4 | C6 | 52.8° | 65.0° |
| C5 | C3 | C4 | H5 | 67.7° | 55.0° |
| C5 | C3 | C4 | H6 | 173.2° | 175.0° |
| C3 | C5 | H7 | H8 | 120.0° | 120.0° |
| C3 | C5 | H7 | H9 | 120.0° | 120.0° |
| C3 | C5 | H8 | H9 | 120.0° | 120.0° |
| H4 | C3 | C4 | C6 | 65.0° | 55.0° |
| H4 | C3 | C4 | H5 | 174.5° | 175.0° |
| H4 | C3 | C4 | H6 | 55.4° | 65.0° |
| H4 | C3 | C5 | H7 | 59.6° | 60.0° |
| H4 | C3 | C5 | H8 | 60.4° | 60.0° |
| H4 | C3 | C5 | H9 | 179.6° | 180.0° |
| C6 | C4 | H5 | H6 | 118.6° | 120.1° |
| C4 | C6 | H10 | H11 | 120.0° | 120.0° |
| C4 | C6 | H10 | H12 | 120.0° | 119.9° |
| C4 | C6 | H11 | H12 | 120.0° | 120.0° |
| H5 | C4 | C6 | H10 | 59.5° | 180.0° |
| H5 | C4 | C6 | H11 | 179.6° | 60.0° |
| H5 | C4 | C6 | H12 | 60.5° | 60.0° |
| H6 | C4 | C6 | H10 | 59.6° | 59.9° |
| H6 | C4 | C6 | H11 | 60.5° | 179.9° |
| H6 | C4 | C6 | H12 | 179.6° | 60.0° |
| H7 | C5 | H8 | H9 | 119.9° | 119.9° |
| H10 | C6 | H11 | H12 | 120.0° | 120.0° |
| N2 | C7 | C8 | C17 | 120.8° | 120.0° |
| N2 | C7 | C8 | H14 | 120.5° | 120.0° |
| N2 | C7 | C17 | H14 | 120.6° | 119.9° |
| N2 | C7 | C8 | C9 | 80.0° | 65.0° |
| N2 | C7 | C17 | C18 | 69.5° | 64.9° |
| C7 | N2 | H13 | C2 | 180.0° | 180.0° |
| N2 | C7 | C8 | H15 | 40.8° | 55.1° |
| N2 | C7 | C8 | H16 | 159.1° | 175.0° |
| N2 | C7 | C17 | H17 | 169.5° | 175.0° |
| N2 | C7 | C17 | H18 | 51.4° | 55.1° |
| C8 | C7 | C17 | H14 | 118.5° | 120.0° |
| C7 | C8 | C9 | H15 | 120.9° | 120.0° |
| C7 | C8 | C9 | H16 | 120.8° | 120.0° |
| C7 | C8 | C9 | C10 | 93.9° | 85.0° |
| C7 | C8 | C9 | C16 | 86.3° | 95.3° |
| C8 | C7 | C17 | C18 | 169.6° | 175.0° |
| C8 | C7 | N2 | H13 | 70.8° | 95.0° |
| C7 | C8 | H15 | H16 | 117.4° | 119.9° |
| C8 | C7 | C17 | H17 | 48.6° | 55.0° |
| C8 | C7 | C17 | H18 | 69.5° | 65.0° |
| C8 | C7 | N2 | C2 | 109.2° | 84.9° |
| C17 | C7 | C8 | C9 | 159.2° | 175.0° |
| C7 | C17 | C18 | H17 | 121.0° | 120.0° |
| C7 | C17 | C18 | H18 | 120.9° | 120.0° |
| C7 | C17 | C18 | O2 | 95.5° | 0.0° |
| C17 | C7 | N2 | H13 | 49.4° | 25.1° |
| C17 | C7 | C8 | H15 | 80.0° | 65.0° |
| C17 | C7 | C8 | H16 | 38.3° | 55.0° |
| C7 | C17 | H17 | H18 | 117.0° | 119.9° |
| C17 | C7 | N2 | C2 | 130.6° | 155.0° |
| C7 | C17 | C18 | N4 | 85.8° | 180.0° |
| C8 | C9 | C10 | C16 | 179.9° | 179.8° |
| C8 | C9 | C10 | C11 | 0.0° | 0.0° |
| C8 | C9 | C10 | C15 | 179.9° | 180.0° |
| C8 | C9 | C16 | N3 | 179.7° | 179.8° |
| C9 | C8 | C7 | H14 | 40.5° | 55.0° |
| C9 | C8 | H15 | H16 | 117.4° | 120.0° |
| C8 | C9 | C16 | H19 | 0.3° | 0.1° |
| C9 | C10 | C11 | C15 | 179.8° | 180.0° |
| C9 | C10 | C11 | C12 | 179.8° | 180.0° |
| C9 | C10 | C15 | C14 | 179.7° | 180.0° |
| C9 | C10 | C15 | N3 | 0.0° | 0.0° |
| C10 | C9 | C16 | N3 | 0.4° | 0.4° |
| C10 | C9 | C8 | H15 | 27.0° | 35.0° |
| C10 | C9 | C8 | H16 | 145.3° | 155.0° |
| C10 | C9 | C16 | H19 | 179.5° | 179.7° |
| C9 | C10 | C11 | H20 | 0.2° | 0.1° |
| C16 | C9 | C10 | C11 | 179.9° | 179.8° |
| C16 | C9 | C10 | C15 | 0.2° | 0.2° |
| C9 | C16 | N3 | C15 | 0.5° | 0.4° |
| C9 | C16 | N3 | H19 | 180.0° | 179.9° |
| C16 | C9 | C8 | H15 | 152.9° | 144.7° |
| C16 | C9 | C8 | H16 | 34.6° | 24.7° |
| C9 | C16 | N3 | H24 | 179.5° | 179.9° |
| C10 | C11 | C12 | H20 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | C15 | C14 | 0.1° | 0.0° |
| C11 | C10 | C15 | N3 | 179.8° | 180.0° |
| C10 | C11 | C12 | H21 | 179.9° | 180.0° |
| C15 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C15 | C14 | C13 | 0.1° | 0.0° |
| C10 | C15 | C14 | N3 | 179.7° | 180.0° |
| C10 | C15 | N3 | C16 | 0.3° | 0.3° |
| C15 | C10 | C11 | H20 | 180.0° | 179.9° |
| C10 | C15 | C14 | H23 | 179.9° | 180.0° |
| C10 | C15 | N3 | H24 | 179.7° | 180.0° |
| C11 | C12 | C13 | H21 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.1° |
| C11 | C12 | C13 | H22 | 179.8° | 180.0° |
| C12 | C13 | C14 | H22 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.1° |
| C13 | C12 | C11 | H20 | 179.8° | 180.0° |
| C12 | C13 | C14 | H23 | 179.9° | 179.9° |
| C13 | C14 | C15 | H23 | 180.0° | 180.0° |
| C13 | C14 | C15 | N3 | 179.7° | 180.0° |
| C14 | C13 | C12 | H21 | 179.8° | 180.0° |
| C14 | C15 | N3 | C16 | 180.0° | 179.7° |
| C15 | C14 | C13 | H22 | 179.9° | 180.0° |
| C14 | C15 | N3 | H24 | 0.0° | 0.0° |
| C15 | N3 | C16 | H24 | 180.0° | 179.7° |
| C15 | N3 | C16 | H19 | 179.5° | 179.7° |
| N3 | C15 | C14 | H23 | 0.3° | 0.0° |
| C17 | C18 | O2 | N4 | 178.6° | 179.9° |
| C18 | C17 | C7 | H14 | 51.0° | 55.0° |
| C18 | C17 | H17 | H18 | 117.0° | 120.0° |
| C17 | C18 | N4 | C19 | 172.5° | 180.0° |
| C17 | C18 | N4 | H25 | 7.5° | 0.1° |
| O2 | C18 | C17 | H17 | 25.4° | 120.0° |
| O2 | C18 | C17 | H18 | 143.5° | 120.0° |
| O2 | C18 | N4 | C19 | 6.1° | 0.0° |
| O2 | C18 | N4 | H25 | 173.9° | 180.0° |
| H13 | N2 | C7 | H14 | 169.4° | 145.0° |
| H14 | C7 | C8 | H15 | 161.3° | 175.0° |
| H14 | C7 | C8 | H16 | 80.4° | 65.0° |
| H14 | C7 | C17 | H17 | 69.9° | 65.0° |
| H14 | C7 | C17 | H18 | 172.0° | 175.0° |
| H14 | C7 | N2 | C2 | 10.6° | 35.0° |
| H17 | C17 | C18 | N4 | 153.2° | 59.9° |
| H18 | C17 | C18 | N4 | 35.1° | 60.1° |
| H19 | C16 | N3 | H24 | 0.5° | 0.0° |
| H20 | C11 | C12 | H21 | 0.2° | 0.0° |
| H21 | C12 | C13 | H22 | 0.2° | 0.1° |
| H22 | C13 | C14 | H23 | 0.1° | 0.1° |
| C19 | N4 | H25 | C18 | 180.0° | 180.0° |
| N4 | C19 | C20 | C21 | 125.9° | 120.0° |
| N4 | C19 | C20 | H26 | 118.4° | 120.0° |
| N4 | C19 | C21 | H26 | 117.2° | 120.0° |
| N4 | C19 | C20 | O3 | 132.0° | 0.0° |
| N4 | C19 | C21 | C22 | 66.8° | 60.0° |
| N4 | C19 | C21 | C23 | 171.4° | 60.0° |
| N4 | C19 | C21 | H27 | 51.8° | 180.0° |
| N4 | C19 | C20 | N5 | 46.2° | 180.0° |
| H25 | N4 | C19 | C20 | 120.2° | 25.0° |
| H25 | N4 | C19 | C21 | 5.0° | 95.0° |
| H25 | N4 | C19 | H26 | 121.8° | 145.0° |
| C20 | C19 | C21 | H26 | 115.7° | 120.0° |
| C19 | C20 | O3 | N5 | 178.1° | 180.0° |
| C20 | C19 | C21 | C22 | 166.1° | 60.0° |
| C20 | C19 | C21 | C23 | 44.3° | 180.0° |
| C20 | C19 | C21 | H27 | 75.3° | 60.0° |
| C19 | C20 | N5 | C25 | 173.1° | 180.0° |
| C19 | C20 | N5 | H36 | 6.9° | 0.0° |
| C20 | C19 | N4 | C18 | 59.8° | 155.0° |
| C21 | C19 | C20 | O3 | 102.1° | 120.0° |
| C19 | C21 | C22 | C23 | 122.3° | 120.0° |
| C19 | C21 | C22 | H27 | 118.6° | 120.0° |
| C19 | C21 | C23 | H27 | 119.5° | 120.0° |
| C19 | C21 | C22 | C24 | 161.1° | 175.0° |
| C19 | C21 | C22 | H28 | 78.3° | 65.0° |
| C19 | C21 | C22 | H29 | 40.6° | 55.0° |
| C19 | C21 | C23 | H30 | 180.0° | 180.0° |
| C19 | C21 | C23 | H31 | 60.0° | 60.1° |
| C19 | C21 | C23 | H32 | 60.0° | 60.1° |
| C21 | C19 | N4 | C18 | 174.9° | 85.0° |
| C21 | C19 | C20 | N5 | 79.7° | 60.0° |
| H26 | C19 | C20 | O3 | 13.6° | 120.0° |
| H26 | C19 | C21 | C22 | 50.5° | 180.0° |
| H26 | C19 | C21 | C23 | 71.4° | 60.0° |
| H26 | C19 | C21 | H27 | 169.0° | 60.0° |
| H26 | C19 | N4 | C18 | 58.2° | 35.0° |
| H26 | C19 | C20 | N5 | 164.6° | 60.0° |
| O3 | C20 | N5 | C25 | 8.8° | 0.0° |
| O3 | C20 | N5 | H36 | 171.2° | 180.0° |
| C22 | C21 | C23 | H27 | 119.0° | 120.1° |
| C21 | C22 | C24 | H28 | 120.6° | 120.0° |
| C21 | C22 | C24 | H29 | 120.6° | 120.0° |
| C21 | C22 | H28 | H29 | 118.2° | 120.0° |
| C22 | C21 | C23 | H30 | 58.5° | 60.0° |
| C22 | C21 | C23 | H31 | 178.5° | 180.0° |
| C22 | C21 | C23 | H32 | 61.5° | 59.9° |
| C21 | C22 | C24 | H33 | 180.0° | 180.0° |
| C21 | C22 | C24 | H34 | 60.0° | 60.0° |
| C21 | C22 | C24 | H35 | 60.0° | 60.0° |
| C23 | C21 | C22 | C24 | 76.6° | 65.0° |
| C23 | C21 | C22 | H28 | 44.0° | 54.9° |
| C23 | C21 | C22 | H29 | 162.8° | 174.9° |
| C21 | C23 | H30 | H31 | 120.0° | 120.0° |
| C21 | C23 | H30 | H32 | 120.0° | 120.0° |
| C21 | C23 | H31 | H32 | 120.0° | 120.1° |
| H27 | C21 | C22 | C24 | 42.5° | 55.0° |
| H27 | C21 | C22 | H28 | 163.1° | 175.0° |
| H27 | C21 | C22 | H29 | 78.0° | 65.0° |
| H27 | C21 | C23 | H30 | 60.5° | 60.1° |
| H27 | C21 | C23 | H31 | 59.5° | 59.9° |
| H27 | C21 | C23 | H32 | 179.5° | 180.0° |
| C24 | C22 | H28 | H29 | 118.1° | 120.0° |
| C22 | C24 | H33 | H34 | 120.0° | 119.9° |
| C22 | C24 | H33 | H35 | 120.0° | 120.0° |
| C22 | C24 | H34 | H35 | 120.0° | 120.0° |
| H28 | C22 | C24 | H33 | 59.4° | 60.0° |
| H28 | C22 | C24 | H34 | 179.4° | 180.0° |
| H28 | C22 | C24 | H35 | 60.6° | 60.0° |
| H29 | C22 | C24 | H33 | 59.4° | 60.0° |
| H29 | C22 | C24 | H34 | 60.6° | 60.0° |
| H29 | C22 | C24 | H35 | 179.4° | 180.0° |
| H30 | C23 | H31 | H32 | 120.0° | 119.9° |
| H33 | C24 | H34 | H35 | 120.0° | 120.1° |
| C25 | N5 | H36 | C20 | 180.0° | 180.0° |
| N5 | C25 | C26 | C27 | 124.0° | 120.0° |
| N5 | C25 | C26 | H37 | 119.2° | 120.0° |
| N5 | C25 | C27 | H37 | 117.8° | 120.0° |
| N5 | C25 | C26 | O4 | 141.1° | 0.1° |
| N5 | C25 | C27 | H38 | 180.0° | 60.0° |
| N5 | C25 | C27 | H39 | 60.0° | 180.0° |
| N5 | C25 | C27 | H40 | 60.0° | 59.9° |
| N5 | C25 | C26 | N6 | 39.7° | 180.0° |
| H36 | N5 | C25 | C26 | 111.6° | 25.0° |
| H36 | N5 | C25 | C27 | 12.2° | 95.0° |
| H36 | N5 | C25 | H37 | 129.6° | 145.0° |
| C26 | C25 | C27 | H37 | 116.8° | 120.0° |
| C25 | C26 | O4 | N6 | 179.0° | 179.9° |
| C26 | C25 | C27 | H38 | 54.6° | 60.0° |
| C26 | C25 | C27 | H39 | 174.6° | 60.0° |
| C26 | C25 | C27 | H40 | 65.4° | 180.0° |
| C25 | C26 | N6 | C28 | 178.0° | 180.0° |
| C25 | C26 | N6 | H41 | 2.0° | 0.1° |
| C26 | C25 | N5 | C20 | 68.4° | 155.0° |
| C27 | C25 | C26 | O4 | 94.8° | 119.9° |
| C25 | C27 | H38 | H39 | 120.0° | 120.0° |
| C25 | C27 | H38 | H40 | 120.0° | 120.0° |
| C25 | C27 | H39 | H40 | 120.0° | 120.0° |
| C27 | C25 | N5 | C20 | 167.8° | 85.0° |
| C27 | C25 | C26 | N6 | 84.3° | 60.0° |
| H37 | C25 | C26 | O4 | 21.9° | 120.1° |
| H37 | C25 | C27 | H38 | 62.1° | 180.0° |
| H37 | C25 | C27 | H39 | 57.8° | 60.0° |
| H37 | C25 | C27 | H40 | 177.8° | 60.0° |
| H37 | C25 | N5 | C20 | 50.4° | 35.0° |
| H37 | C25 | C26 | N6 | 159.0° | 60.0° |
| O4 | C26 | N6 | C28 | 1.1° | 0.0° |
| O4 | C26 | N6 | H41 | 178.9° | 180.0° |
| H38 | C27 | H39 | H40 | 120.0° | 120.0° |
| C28 | N6 | H41 | C26 | 180.0° | 180.0° |
| N6 | C28 | C29 | C30 | 124.0° | 120.0° |
| N6 | C28 | C29 | H42 | 118.1° | 120.0° |
| N6 | C28 | C30 | H42 | 117.8° | 120.0° |
| N6 | C28 | C29 | O5 | 152.5° | 0.0° |
| N6 | C28 | C30 | C31 | 52.0° | 65.0° |
| N6 | C28 | C30 | H43 | 68.4° | 55.0° |
| N6 | C28 | C30 | H44 | 172.3° | 175.0° |
| N6 | C28 | C29 | N8 | 27.2° | 180.0° |
| H41 | N6 | C28 | C29 | 98.6° | 25.0° |
| H41 | N6 | C28 | C30 | 26.3° | 95.0° |
| H41 | N6 | C28 | H42 | 143.7° | 145.0° |
| C29 | C28 | C30 | H42 | 118.0° | 120.0° |
| C28 | C29 | O5 | N8 | 179.7° | 179.9° |
| C29 | C28 | C30 | C31 | 176.2° | 175.0° |
| C29 | C28 | C30 | H43 | 55.8° | 65.0° |
| C29 | C28 | C30 | H44 | 63.5° | 55.0° |
| C28 | C29 | N8 | C33 | 167.1° | 180.0° |
| C28 | C29 | N8 | H49 | 12.9° | 0.0° |
| C29 | C28 | N6 | C26 | 81.3° | 155.0° |
| C30 | C28 | C29 | O5 | 83.6° | 119.9° |
| C28 | C30 | C31 | H43 | 120.3° | 120.0° |
| C28 | C30 | C31 | H44 | 120.3° | 120.0° |
| C28 | C30 | H43 | H44 | 119.0° | 120.0° |
| C28 | C30 | C31 | C32 | 166.0° | 180.0° |
| C28 | C30 | C31 | H45 | 45.5° | 60.0° |
| C28 | C30 | C31 | H46 | 73.5° | 60.0° |
| C30 | C28 | N6 | C26 | 153.7° | 85.0° |
| C30 | C28 | C29 | N8 | 96.7° | 60.0° |
| H42 | C28 | C29 | O5 | 34.4° | 120.0° |
| H42 | C28 | C30 | C31 | 65.9° | 55.0° |
| H42 | C28 | C30 | H43 | 173.8° | 175.0° |
| H42 | C28 | C30 | H44 | 54.4° | 65.0° |
| H42 | C28 | N6 | C26 | 36.3° | 35.0° |
| H42 | C28 | C29 | N8 | 145.3° | 60.0° |
| O5 | C29 | N8 | C33 | 13.2° | 0.1° |
| O5 | C29 | N8 | H49 | 166.8° | 180.0° |
| C31 | C30 | H43 | H44 | 119.0° | 120.0° |
| C30 | C31 | C32 | H45 | 120.5° | 120.0° |
| C30 | C31 | C32 | H46 | 120.5° | 120.0° |
| C30 | C31 | H45 | H46 | 118.4° | 120.0° |
| C30 | C31 | C32 | O6 | 32.1° | 0.0° |
| C30 | C31 | C32 | N7 | 147.1° | 180.0° |
| H43 | C30 | C31 | C32 | 73.6° | 60.0° |
| H43 | C30 | C31 | H45 | 165.9° | 180.0° |
| H43 | C30 | C31 | H46 | 46.9° | 60.0° |
| H44 | C30 | C31 | C32 | 45.7° | 60.0° |
| H44 | C30 | C31 | H45 | 74.8° | 60.0° |
| H44 | C30 | C31 | H46 | 166.2° | 180.0° |
| C32 | C31 | H45 | H46 | 118.4° | 120.0° |
| C31 | C32 | O6 | N7 | 179.1° | 179.9° |
| C31 | C32 | N7 | H47 | 179.1° | 0.1° |
| C31 | C32 | N7 | H48 | 0.9° | 180.0° |
| H45 | C31 | C32 | O6 | 152.6° | 120.0° |
| H45 | C31 | C32 | N7 | 26.6° | 60.1° |
| H46 | C31 | C32 | O6 | 88.4° | 119.9° |
| H46 | C31 | C32 | N7 | 92.4° | 60.0° |
| O6 | C32 | N7 | H47 | 0.0° | 180.0° |
| O6 | C32 | N7 | H48 | 180.0° | 0.1° |
| C32 | N7 | H47 | H48 | 180.0° | 179.9° |
| C33 | N8 | H49 | C29 | 180.0° | 180.0° |
| N8 | C33 | C34 | C37 | 121.0° | 120.0° |
| N8 | C33 | C34 | H50 | 122.6° | 120.0° |
| N8 | C33 | C37 | H50 | 120.0° | 120.0° |
| N8 | C33 | C34 | C35 | 105.5° | 65.0° |
| N8 | C33 | C34 | H51 | 15.7° | 55.0° |
| N8 | C33 | C34 | H52 | 133.4° | 175.0° |
| N8 | C33 | C37 | C38 | 61.5° | 65.0° |
| N8 | C33 | C37 | H56 | 177.8° | 175.0° |
| N8 | C33 | C37 | H57 | 59.2° | 55.0° |
| H49 | N8 | C33 | C34 | 57.8° | 95.0° |
| H49 | N8 | C33 | C37 | 60.4° | 25.1° |
| H49 | N8 | C33 | H50 | 180.0° | 145.0° |
| C34 | C33 | C37 | H50 | 116.2° | 120.0° |
| C33 | C34 | C35 | H51 | 121.1° | 120.0° |
| C33 | C34 | C35 | H52 | 121.2° | 120.0° |
| C33 | C34 | H51 | H52 | 116.4° | 120.0° |
| C33 | C34 | C35 | C36 | 61.6° | 180.0° |
| C33 | C34 | C35 | H53 | 59.3° | 60.0° |
| C33 | C34 | C35 | H54 | 177.5° | 60.0° |
| C34 | C33 | C37 | C38 | 174.7° | 175.0° |
| C34 | C33 | C37 | H56 | 54.0° | 55.0° |
| C34 | C33 | C37 | H57 | 64.6° | 65.0° |
| C34 | C33 | N8 | C29 | 122.1° | 85.0° |
| C37 | C33 | C34 | C35 | 133.5° | 175.0° |
| C37 | C33 | C34 | H51 | 105.4° | 65.0° |
| C37 | C33 | C34 | H52 | 12.3° | 55.0° |
| C33 | C37 | C38 | H56 | 120.7° | 120.0° |
| C33 | C37 | C38 | H57 | 120.7° | 120.0° |
| C33 | C37 | H56 | H57 | 117.8° | 120.0° |
| C33 | C37 | C38 | O9 | 83.8° | 0.0° |
| C37 | C33 | N8 | C29 | 119.6° | 155.0° |
| C33 | C37 | C38 | N9 | 96.1° | 180.0° |
| H50 | C33 | C34 | C35 | 17.1° | 55.0° |
| H50 | C33 | C34 | H51 | 138.3° | 175.0° |
| H50 | C33 | C34 | H52 | 104.0° | 65.0° |
| H50 | C33 | C37 | C38 | 58.5° | 55.0° |
| H50 | C33 | C37 | H56 | 62.2° | 65.0° |
| H50 | C33 | C37 | H57 | 179.2° | 175.0° |
| H50 | C33 | N8 | C29 | 0.0° | 35.0° |
| C35 | C34 | H51 | H52 | 116.4° | 120.0° |
| C34 | C35 | C36 | H53 | 120.9° | 120.0° |
| C34 | C35 | C36 | H54 | 120.9° | 119.9° |
| C34 | C35 | H53 | H54 | 117.2° | 120.0° |
| C34 | C35 | C36 | O7 | 73.2° | 0.0° |
| C34 | C35 | C36 | O8 | 108.4° | 180.0° |
| H51 | C34 | C35 | C36 | 177.2° | 60.0° |
| H51 | C34 | C35 | H53 | 61.8° | NaN° |
| H51 | C34 | C35 | H54 | 56.4° | 59.9° |
| H52 | C34 | C35 | C36 | 59.5° | 60.0° |
| H52 | C34 | C35 | H53 | 179.5° | 60.0° |
| H52 | C34 | C35 | H54 | 61.4° | 179.9° |
| C36 | C35 | H53 | H54 | 117.1° | 120.0° |
| C35 | C36 | O7 | O8 | 178.3° | 180.0° |
| C35 | C36 | O8 | H55 | 178.4° | 180.0° |
| H53 | C35 | C36 | O7 | 165.9° | 120.0° |
| H53 | C35 | C36 | O8 | 12.5° | 60.0° |
| H54 | C35 | C36 | O7 | 47.7° | 119.9° |
| H54 | C35 | C36 | O8 | 130.7° | 60.1° |
| O7 | C36 | O8 | H55 | 0.0° | 0.0° |
| C38 | C37 | H56 | H57 | 117.8° | 120.0° |
| C37 | C38 | O9 | N9 | 179.9° | 179.9° |
| C37 | C38 | N9 | C39 | 170.8° | 175.0° |
| C37 | C38 | N9 | H58 | 9.2° | 5.0° |
| H56 | C37 | C38 | O9 | 36.9° | 120.0° |
| H56 | C37 | C38 | N9 | 143.2° | 60.0° |
| H57 | C37 | C38 | O9 | 155.4° | 120.0° |
| H57 | C37 | C38 | N9 | 24.6° | 60.0° |
| O9 | C38 | N9 | C39 | 9.3° | 5.1° |
| O9 | C38 | N9 | H58 | 170.7° | 175.0° |
| C39 | N9 | H58 | C38 | 180.0° | 180.0° |
| N9 | C39 | C40 | C41 | 124.3° | 120.0° |
| N9 | C39 | C40 | H59 | 119.6° | 119.9° |
| N9 | C39 | C41 | H59 | 118.5° | 119.9° |
| N9 | C39 | C40 | O10 | 142.6° | 14.4° |
| N9 | C39 | C41 | C42 | 70.0° | 174.9° |
| N9 | C39 | C41 | H60 | 50.9° | 54.8° |
| N9 | C39 | C41 | H61 | 169.0° | 65.1° |
| N9 | C39 | C40 | N10 | 36.9° | 165.7° |
| H58 | N9 | C39 | C40 | 124.3° | 28.9° |
| H58 | N9 | C39 | C41 | 1.6° | 91.2° |
| H58 | N9 | C39 | H59 | 116.4° | 148.8° |
| C40 | C39 | C41 | H59 | 116.2° | 120.0° |
| C39 | C40 | O10 | N10 | 179.5° | 179.9° |
| C40 | C39 | C41 | C42 | 164.7° | 65.1° |
| C40 | C39 | C41 | H60 | 74.4° | 174.9° |
| C40 | C39 | C41 | H61 | 43.8° | 54.9° |
| C39 | C40 | N10 | C45 | 174.6° | 174.7° |
| C39 | C40 | N10 | H69 | 5.4° | 5.3° |
| C40 | C39 | N9 | C38 | 55.7° | 151.1° |
| C41 | C39 | C40 | O10 | 93.1° | 105.7° |
| C39 | C41 | C42 | H60 | 120.9° | 120.1° |
| C39 | C41 | C42 | H61 | 121.0° | 119.9° |
| C39 | C41 | H60 | H61 | 117.2° | 120.0° |
| C39 | C41 | C42 | C43 | 171.5° | 67.3° |
| C39 | C41 | C42 | C44 | 65.8° | 172.8° |
| C39 | C41 | C42 | H62 | 53.1° | 52.7° |
| C41 | C39 | N9 | C38 | 178.4° | 88.8° |
| C41 | C39 | C40 | N10 | 87.4° | 74.3° |
| H59 | C39 | C40 | O10 | 22.9° | 134.3° |
| H59 | C39 | C41 | C42 | 48.5° | 55.0° |
| H59 | C39 | C41 | H60 | 169.4° | 65.1° |
| H59 | C39 | C41 | H61 | 72.4° | 174.9° |
| H59 | C39 | N9 | C38 | 63.6° | 31.1° |
| H59 | C39 | C40 | N10 | 156.6° | 45.8° |
| O10 | C40 | N10 | C45 | 6.0° | 5.4° |
| O10 | C40 | N10 | H69 | 174.0° | 174.7° |
| C42 | C41 | H60 | H61 | 117.1° | 120.0° |
| C41 | C42 | C43 | C44 | 122.2° | 120.0° |
| C41 | C42 | C43 | H62 | 118.2° | 120.0° |
| C41 | C42 | C44 | H62 | 119.0° | 120.0° |
| C41 | C42 | C43 | H63 | 180.0° | 175.7° |
| C41 | C42 | C43 | H64 | 60.0° | 55.6° |
| C41 | C42 | C43 | H65 | 60.0° | 64.3° |
| C41 | C42 | C44 | H66 | 180.0° | 60.0° |
| C41 | C42 | C44 | H67 | 60.0° | 180.0° |
| C41 | C42 | C44 | H68 | 60.0° | 60.0° |
| H60 | C41 | C42 | C43 | 50.6° | 52.8° |
| H60 | C41 | C42 | C44 | 173.3° | 67.2° |
| H60 | C41 | C42 | H62 | 67.8° | 172.8° |
| H61 | C41 | C42 | C43 | 67.5° | 172.8° |
| H61 | C41 | C42 | C44 | 55.2° | 52.8° |
| H61 | C41 | C42 | H62 | 174.1° | 67.2° |
| C43 | C42 | C44 | H62 | 119.7° | 120.0° |
| C42 | C43 | H63 | H64 | 120.0° | 120.0° |
| C42 | C43 | H63 | H65 | 120.0° | 120.0° |
| C42 | C43 | H64 | H65 | 120.0° | 120.0° |
| C43 | C42 | C44 | H66 | 58.7° | 180.0° |
| C43 | C42 | C44 | H67 | 61.4° | 60.0° |
| C43 | C42 | C44 | H68 | 178.7° | 60.0° |
| C44 | C42 | C43 | H63 | 57.8° | 64.3° |
| C44 | C42 | C43 | H64 | 177.8° | 175.6° |
| C44 | C42 | C43 | H65 | 62.2° | 55.6° |
| C42 | C44 | H66 | H67 | 120.0° | 120.0° |
| C42 | C44 | H66 | H68 | 120.0° | 120.0° |
| C42 | C44 | H67 | H68 | 120.0° | 120.0° |
| H62 | C42 | C43 | H63 | 61.7° | 55.7° |
| H62 | C42 | C43 | H64 | 58.2° | 64.4° |
| H62 | C42 | C43 | H65 | 178.2° | 175.6° |
| H62 | C42 | C44 | H66 | 61.0° | 60.0° |
| H62 | C42 | C44 | H67 | 179.0° | 60.0° |
| H62 | C42 | C44 | H68 | 59.0° | 180.0° |
| H63 | C43 | H64 | H65 | 120.0° | 119.9° |
| H66 | C44 | H67 | H68 | 120.0° | 120.1° |
| C45 | N10 | H69 | C40 | 180.0° | 179.9° |
| N10 | C45 | C46 | C47 | 126.6° | 120.0° |
| N10 | C45 | C46 | H70 | 118.2° | 119.9° |
| N10 | C45 | C47 | H70 | 117.1° | 120.0° |
| N10 | C45 | C46 | O11 | 129.3° | 0.0° |
| N10 | C45 | C47 | C48 | 169.4° | 65.0° |
| N10 | C45 | C47 | H71 | 49.1° | 55.0° |
| N10 | C45 | C47 | H72 | 70.2° | 175.0° |
| N10 | C45 | C46 | N14 | 50.0° | 179.9° |
| H69 | N10 | C45 | C46 | 98.3° | 25.0° |
| H69 | N10 | C45 | C47 | 27.3° | 95.0° |
| H69 | N10 | C45 | H70 | 143.9° | 145.0° |
| C46 | C45 | C47 | H70 | 115.2° | 120.0° |
| C45 | C46 | O11 | N14 | 179.2° | 180.0° |
| C46 | C45 | C47 | C48 | 62.9° | 175.0° |
| C46 | C45 | C47 | H71 | 176.7° | 65.0° |
| C46 | C45 | C47 | H72 | 57.4° | 55.0° |
| C45 | C46 | N14 | C51 | 172.8° | 180.0° |
| C45 | C46 | N14 | H82 | 7.2° | 0.0° |
| C46 | C45 | N10 | C40 | 81.7° | 155.0° |
| C47 | C45 | C46 | O11 | 104.2° | 120.0° |
| C45 | C47 | C48 | H71 | 120.4° | 120.0° |
| C45 | C47 | C48 | H72 | 120.4° | 120.0° |
| C45 | C47 | H71 | H72 | 118.9° | 120.0° |
| C45 | C47 | C48 | C49 | 144.0° | 180.0° |
| C45 | C47 | C48 | H73 | 23.8° | 60.0° |
| C45 | C47 | C48 | H74 | 95.8° | 60.0° |
| C47 | C45 | N10 | C40 | 152.7° | 84.9° |
| C47 | C45 | C46 | N14 | 76.6° | 60.0° |
| H70 | C45 | C46 | O11 | 11.1° | 119.9° |
| H70 | C45 | C47 | C48 | 52.3° | 55.0° |
| H70 | C45 | C47 | H71 | 68.1° | 175.0° |
| H70 | C45 | C47 | H72 | 172.6° | 65.0° |
| H70 | C45 | N10 | C40 | 36.0° | 35.1° |
| H70 | C45 | C46 | N14 | 168.1° | 60.0° |
| O11 | C46 | N14 | C51 | 7.9° | 0.1° |
| O11 | C46 | N14 | H82 | 172.1° | 180.0° |
| C48 | C47 | H71 | H72 | 118.8° | 120.0° |
| C47 | C48 | C49 | H73 | 120.2° | 120.1° |
| C47 | C48 | C49 | H74 | 120.2° | 120.0° |
| C47 | C48 | H73 | H74 | 119.4° | 119.9° |
| C47 | C48 | C49 | N11 | 59.7° | 180.0° |
| C47 | C48 | C49 | H75 | 61.0° | 60.0° |
| C47 | C48 | C49 | H76 | 179.6° | 60.0° |
| H71 | C47 | C48 | C49 | 95.6° | 59.9° |
| H71 | C47 | C48 | H73 | 144.2° | 180.0° |
| H71 | C47 | C48 | H74 | 24.6° | 60.0° |
| H72 | C47 | C48 | C49 | 23.6° | 60.0° |
| H72 | C47 | C48 | H73 | 96.6° | 60.1° |
| H72 | C47 | C48 | H74 | 143.8° | 180.0° |
| C49 | C48 | H73 | H74 | 119.3° | 120.0° |
| C48 | C49 | N11 | H75 | 120.7° | 120.0° |
| C48 | C49 | N11 | H76 | 120.7° | 120.0° |
| C48 | C49 | H75 | H76 | 118.0° | 120.0° |
| C48 | C49 | N11 | C50 | 145.3° | 180.0° |
| C48 | C49 | N11 | H77 | 34.7° | 0.0° |
| H73 | C48 | C49 | N11 | 179.9° | 59.9° |
| H73 | C48 | C49 | H75 | 59.2° | 180.0° |
| H73 | C48 | C49 | H76 | 59.4° | 60.1° |
| H74 | C48 | C49 | N11 | 60.5° | 60.0° |
| H74 | C48 | C49 | H75 | 178.8° | 60.0° |
| H74 | C48 | C49 | H76 | 60.2° | 180.0° |
| N11 | C49 | H75 | H76 | 117.9° | 120.0° |
| C49 | N11 | C50 | H77 | 180.0° | 180.0° |
| C49 | N11 | C50 | N12 | 0.8° | 0.0° |
| C49 | N11 | C50 | N13 | 179.8° | 180.0° |
| H75 | C49 | N11 | C50 | 24.6° | 60.0° |
| H75 | C49 | N11 | H77 | 155.4° | 120.0° |
| H76 | C49 | N11 | C50 | 94.0° | 60.0° |
| H76 | C49 | N11 | H77 | 86.0° | 120.0° |
| N11 | C50 | N12 | N13 | 179.4° | 180.0° |
| N11 | C50 | N12 | H78 | 179.4° | 0.0° |
| N11 | C50 | N12 | H79 | 0.6° | 180.0° |
| N11 | C50 | N13 | H80 | 179.4° | 180.0° |
| N11 | C50 | N13 | H81 | 0.6° | 0.0° |
| H77 | N11 | C50 | N12 | 179.2° | 180.0° |
| H77 | N11 | C50 | N13 | 0.2° | 0.0° |
| C50 | N12 | H78 | H79 | 180.0° | 180.0° |
| N12 | C50 | N13 | H80 | 0.0° | 0.0° |
| N12 | C50 | N13 | H81 | 180.0° | 180.0° |
| N13 | C50 | N12 | H78 | 0.0° | 180.0° |
| N13 | C50 | N12 | H79 | 180.0° | 0.0° |
| C50 | N13 | H80 | H81 | 180.0° | 180.0° |
| C51 | N14 | H82 | C46 | 180.0° | 180.0° |
| N14 | C51 | C52 | C53 | 119.0° | 120.0° |
| N14 | C51 | C52 | H83 | 121.3° | 120.0° |
| N14 | C51 | C53 | H83 | 119.4° | 120.0° |
| N14 | C51 | C52 | O12 | 145.7° | 0.0° |
| N14 | C51 | C53 | C54 | 177.7° | 65.0° |
| N14 | C51 | C53 | H84 | 61.3° | 55.0° |
| N14 | C51 | C53 | H85 | 56.7° | 175.0° |
| N14 | C51 | C52 | N18 | 32.9° | 180.0° |
| H82 | N14 | C51 | C52 | 100.2° | 25.0° |
| H82 | N14 | C51 | C53 | 20.6° | 95.0° |
| H82 | N14 | C51 | H83 | 139.2° | 145.0° |
| C52 | C51 | C53 | H83 | 119.8° | 120.0° |
| C51 | C52 | O12 | N18 | 178.5° | 180.0° |
| C52 | C51 | C53 | C54 | 56.9° | 175.0° |
| C52 | C51 | C53 | H84 | 177.9° | 65.0° |
| C52 | C51 | C53 | H85 | 64.1° | 55.0° |
| C51 | C52 | N18 | C59 | 177.4° | 175.0° |
| C51 | C52 | N18 | H98 | 2.6° | 4.9° |
| C52 | C51 | N14 | C46 | 79.8° | 155.0° |
| C53 | C51 | C52 | O12 | 95.3° | 120.0° |
| C51 | C53 | C54 | H84 | 121.0° | 120.0° |
| C51 | C53 | C54 | H85 | 121.0° | 120.0° |
| C51 | C53 | H84 | H85 | 116.9° | 120.0° |
| C51 | C53 | C54 | C55 | 166.3° | 180.0° |
| C51 | C53 | C54 | H86 | 46.1° | 60.0° |
| C51 | C53 | C54 | H87 | 73.5° | 60.0° |
| C53 | C51 | N14 | C46 | 159.4° | 85.0° |
| C53 | C51 | C52 | N18 | 86.0° | 60.0° |
| H83 | C51 | C52 | O12 | 24.4° | 120.0° |
| H83 | C51 | C53 | C54 | 62.9° | 55.0° |
| H83 | C51 | C53 | H84 | 58.1° | 175.0° |
| H83 | C51 | C53 | H85 | 176.1° | 65.0° |
| H83 | C51 | N14 | C46 | 40.8° | 35.0° |
| H83 | C51 | C52 | N18 | 154.2° | 60.0° |
| O12 | C52 | N18 | C59 | 4.0° | 5.0° |
| O12 | C52 | N18 | H98 | 176.0° | 175.1° |
| C54 | C53 | H84 | H85 | 116.9° | 120.0° |
| C53 | C54 | C55 | H86 | 120.2° | 120.0° |
| C53 | C54 | C55 | H87 | 120.2° | 120.0° |
| C53 | C54 | H86 | H87 | 119.5° | 120.0° |
| C53 | C54 | C55 | N15 | 145.6° | 180.0° |
| C53 | C54 | C55 | H88 | 94.4° | 60.0° |
| C53 | C54 | C55 | H89 | 25.6° | 60.0° |
| H84 | C53 | C54 | C55 | 72.7° | 60.0° |
| H84 | C53 | C54 | H86 | 167.1° | 180.0° |
| H84 | C53 | C54 | H87 | 47.5° | 60.0° |
| H85 | C53 | C54 | C55 | 45.3° | 60.0° |
| H85 | C53 | C54 | H86 | 74.9° | 60.0° |
| H85 | C53 | C54 | H87 | 165.5° | NaN° |
| C55 | C54 | H86 | H87 | 119.5° | 120.0° |
| C54 | C55 | N15 | H88 | 120.0° | 120.0° |
| C54 | C55 | N15 | H89 | 120.0° | 120.0° |
| C54 | C55 | H88 | H89 | 119.9° | 120.0° |
| C54 | C55 | N15 | C56 | 103.4° | 180.0° |
| C54 | C55 | N15 | H90 | 76.6° | 0.0° |
| H86 | C54 | C55 | N15 | 25.4° | 60.0° |
| H86 | C54 | C55 | H88 | 145.5° | 180.0° |
| H86 | C54 | C55 | H89 | 94.6° | 60.0° |
| H87 | C54 | C55 | N15 | 94.2° | 60.0° |
| H87 | C54 | C55 | H88 | 25.8° | 60.0° |
| H87 | C54 | C55 | H89 | 145.8° | 180.0° |
| N15 | C55 | H88 | H89 | 119.9° | 120.0° |
| C55 | N15 | C56 | H90 | 180.0° | 179.9° |
| C55 | N15 | C56 | N16 | 2.1° | 0.0° |
| C55 | N15 | C56 | N17 | 178.8° | 180.0° |
| H88 | C55 | N15 | C56 | 136.6° | 60.0° |
| H88 | C55 | N15 | H90 | 43.4° | 120.0° |
| H89 | C55 | N15 | C56 | 16.6° | 60.0° |
| H89 | C55 | N15 | H90 | 163.4° | 120.0° |
| N15 | C56 | N16 | N17 | 179.1° | 180.0° |
| N15 | C56 | N16 | H91 | 179.1° | 0.1° |
| N15 | C56 | N16 | H92 | 0.9° | 180.0° |
| N15 | C56 | N17 | H93 | 179.1° | 0.0° |
| N15 | C56 | N17 | H94 | 0.9° | 180.0° |
| H90 | N15 | C56 | N16 | 177.9° | 180.0° |
| H90 | N15 | C56 | N17 | 1.2° | 0.0° |
| C56 | N16 | H91 | H92 | 180.0° | 179.9° |
| N16 | C56 | N17 | H93 | 0.0° | 180.0° |
| N16 | C56 | N17 | H94 | 180.0° | 0.0° |
| N17 | C56 | N16 | H91 | 0.0° | 180.0° |
| N17 | C56 | N16 | H92 | 180.0° | 0.0° |
| C56 | N17 | H93 | H94 | 180.0° | 180.0° |
| O13 | C57 | C58 | N19 | 179.5° | 180.0° |
| O13 | C57 | C58 | C59 | 76.3° | 0.0° |
| O13 | C57 | C58 | H95 | 163.8° | 120.0° |
| O13 | C57 | C58 | H96 | 43.6° | 120.0° |
| O13 | C57 | N19 | C64 | 0.5° | 0.0° |
| O13 | C57 | N19 | H108 | 179.6° | 180.0° |
| C57 | C58 | C59 | H95 | 119.9° | 119.9° |
| C57 | C58 | C59 | H96 | 119.9° | 120.0° |
| C57 | C58 | H95 | H96 | 120.4° | 120.0° |
| C57 | C58 | C59 | H97 | 48.6° | 55.0° |
| C57 | C58 | C59 | N18 | 71.1° | 65.0° |
| C57 | C58 | C59 | C60 | 170.6° | 175.0° |
| C58 | C57 | N19 | C64 | 179.0° | 180.0° |
| C58 | C57 | N19 | H108 | 0.9° | 0.0° |
| C59 | C58 | H95 | H96 | 120.4° | 120.0° |
| C58 | C59 | H97 | N18 | 122.1° | 120.0° |
| C58 | C59 | H97 | C60 | 128.5° | 120.0° |
| C58 | C59 | N18 | C60 | 127.8° | 120.0° |
| C58 | C59 | C60 | C62 | 105.5° | 64.1° |
| C58 | C59 | C60 | C61 | 24.9° | 55.9° |
| C58 | C59 | N18 | H98 | 56.9° | 28.5° |
| C58 | C59 | C60 | H99 | 142.2° | 175.9° |
| C58 | C59 | N18 | C52 | 123.1° | 151.6° |
| C59 | C58 | C57 | N19 | 104.2° | 180.0° |
| H95 | C58 | C59 | H97 | 168.5° | 174.9° |
| H95 | C58 | C59 | N18 | 48.8° | 55.0° |
| H95 | C58 | C59 | C60 | 69.5° | 65.0° |
| H95 | C58 | C57 | N19 | 15.7° | 60.0° |
| H97 | C59 | N18 | C60 | 113.2° | 120.1° |
| H97 | C59 | C60 | C62 | 16.5° | 55.9° |
| H97 | C59 | C60 | C61 | 146.9° | 175.9° |
| H97 | C59 | C58 | H96 | 71.2° | 65.0° |
| H97 | C59 | N18 | H98 | 175.9° | 148.4° |
| H97 | C59 | C60 | H99 | 95.8° | 64.1° |
| H97 | C59 | N18 | C52 | 4.1° | 31.7° |
| N18 | C59 | C60 | C62 | 130.6° | 175.9° |
| N18 | C59 | C60 | C61 | 99.0° | 64.1° |
| N18 | C59 | C58 | H96 | 169.1° | 175.0° |
| C59 | N18 | H98 | C52 | 180.0° | 179.9° |
| N18 | C59 | C60 | H99 | 18.3° | 55.9° |
| C59 | C60 | C62 | C61 | 136.0° | 120.0° |
| C59 | C60 | C62 | H99 | 112.0° | 120.0° |
| C59 | C60 | C61 | H99 | 117.3° | 120.0° |
| C59 | C60 | C61 | H102 | 180.0° | 60.0° |
| C59 | C60 | C61 | H100 | 60.0° | 180.0° |
| C59 | C60 | C62 | C63 | 106.0° | 63.9° |
| C60 | C59 | C58 | H96 | 50.7° | 55.0° |
| C60 | C59 | N18 | H98 | 70.9° | 91.5° |
| C59 | C60 | C61 | H101 | 60.0° | 60.0° |
| C59 | C60 | C62 | H103 | 134.6° | 176.1° |
| C59 | C60 | C62 | H104 | 13.5° | 56.1° |
| C60 | C59 | N18 | C52 | 109.1° | 88.4° |
| C62 | C60 | C61 | H99 | 112.2° | 120.0° |
| C62 | C60 | C61 | H102 | 49.5° | 60.0° |
| C62 | C60 | C61 | H100 | 169.6° | 60.0° |
| C60 | C62 | C63 | H103 | 119.5° | 120.0° |
| C60 | C62 | C63 | H104 | 119.5° | 120.0° |
| C60 | C62 | C63 | H106 | 180.0° | 65.3° |
| C60 | C62 | C63 | H105 | 60.0° | 174.7° |
| C62 | C60 | C61 | H101 | 70.5° | 180.0° |
| C60 | C62 | H103 | H104 | 121.6° | 120.0° |
| C60 | C62 | C63 | H107 | 60.0° | 54.6° |
| C60 | C61 | H102 | H100 | 120.0° | 120.0° |
| C60 | C61 | H102 | H101 | 120.0° | 120.0° |
| C60 | C61 | H100 | H101 | 120.0° | 120.1° |
| C61 | C60 | C62 | C63 | 118.0° | 176.1° |
| C61 | C60 | C62 | H103 | 1.4° | 56.1° |
| C61 | C60 | C62 | H104 | 122.5° | 63.9° |
| H102 | C61 | H100 | H101 | 120.0° | 119.9° |
| H102 | C61 | C60 | H99 | 62.6° | 180.0° |
| H100 | C61 | C60 | H99 | 57.4° | 60.1° |
| C62 | C63 | H106 | H105 | 120.0° | 120.0° |
| C62 | C63 | H106 | H107 | 120.0° | 120.0° |
| C62 | C63 | H105 | H107 | 120.0° | 120.0° |
| C63 | C62 | C60 | H99 | 6.1° | 56.1° |
| C63 | C62 | H103 | H104 | 121.5° | 120.0° |
| H106 | C63 | H105 | H107 | 120.0° | 119.9° |
| H106 | C63 | C62 | H103 | 60.5° | 174.7° |
| H106 | C63 | C62 | H104 | 60.5° | 54.7° |
| H105 | C63 | C62 | H103 | 179.4° | 54.7° |
| H105 | C63 | C62 | H104 | 59.5° | 65.3° |
| H96 | C58 | C57 | N19 | 136.0° | 60.0° |
| H99 | C60 | C61 | H101 | 177.3° | 60.0° |
| H99 | C60 | C62 | H103 | 113.4° | 63.9° |
| H99 | C60 | C62 | H104 | 125.5° | 176.1° |
| H103 | C62 | C63 | H107 | 59.5° | 65.3° |
| H104 | C62 | C63 | H107 | 179.5° | 174.7° |
| C64 | N19 | H108 | C57 | 180.0° | 180.0° |
| N19 | C64 | C65 | H109 | 121.2° | 120.0° |
| N19 | C64 | C65 | H110 | 121.2° | 120.0° |
| N19 | C64 | H109 | H110 | 116.2° | 120.0° |
| N19 | C64 | C65 | O14 | 131.6° | 0.0° |
| N19 | C64 | C65 | N20 | 49.1° | 180.0° |
| H108 | N19 | C64 | C65 | 130.6° | 0.0° |
| H108 | N19 | C64 | H109 | 108.2° | 120.0° |
| H108 | N19 | C64 | H110 | 9.4° | 120.0° |
| C65 | C64 | H109 | H110 | 116.2° | 120.0° |
| C64 | C65 | O14 | N20 | 179.3° | 180.0° |
| C64 | C65 | N20 | C66 | 173.4° | 175.0° |
| C64 | C65 | N20 | H111 | 6.6° | 5.0° |
| C65 | C64 | N19 | C57 | 49.4° | 180.0° |
| H109 | C64 | C65 | O14 | 10.4° | 120.0° |
| H109 | C64 | N19 | C57 | 71.8° | 60.0° |
| H109 | C64 | C65 | N20 | 170.2° | 60.0° |
| H110 | C64 | C65 | O14 | 107.2° | 120.0° |
| H110 | C64 | N19 | C57 | 170.6° | 60.0° |
| H110 | C64 | C65 | N20 | 72.1° | 60.0° |
| O14 | C65 | N20 | C66 | 6.0° | 5.0° |
| O14 | C65 | N20 | H111 | 174.1° | 175.0° |
| C66 | N20 | H111 | C65 | 180.0° | 180.0° |
| N20 | C66 | C67 | C68 | 124.7° | 120.0° |
| N20 | C66 | C67 | H112 | 119.0° | 120.0° |
| N20 | C66 | C68 | H112 | 118.0° | 120.0° |
| N20 | C66 | C67 | O15 | 156.2° | 0.0° |
| N20 | C66 | C68 | C69 | 77.6° | 65.5° |
| N20 | C66 | C68 | H113 | 42.9° | 54.5° |
| N20 | C66 | C68 | H114 | 162.0° | 174.5° |
| N20 | C66 | C67 | N21 | 23.4° | 180.0° |
| H111 | N20 | C66 | C67 | 108.3° | 91.2° |
| H111 | N20 | C66 | C68 | 15.7° | 28.8° |
| H111 | N20 | C66 | H112 | 133.2° | 148.8° |
| C67 | C66 | C68 | H112 | 116.5° | 120.1° |
| C66 | C67 | O15 | N21 | 179.6° | 180.0° |
| C67 | C66 | C68 | C69 | 156.9° | 174.5° |
| C67 | C66 | C68 | H113 | 82.6° | 65.5° |
| C67 | C66 | C68 | H114 | 36.5° | 54.5° |
| C66 | C67 | N21 | C70 | 178.1° | 180.0° |
| C66 | C67 | N21 | H116 | 1.9° | 0.0° |
| C67 | C66 | N20 | C65 | 71.8° | 88.8° |
| C68 | C66 | C67 | O15 | 79.2° | 120.0° |
| C66 | C68 | C69 | H113 | 120.5° | 120.0° |
| C66 | C68 | C69 | H114 | 120.4° | 119.9° |
| C66 | C68 | H113 | H114 | 118.6° | 119.9° |
| C66 | C68 | C69 | O16 | 13.7° | 5.4° |
| C66 | C68 | C69 | O17 | 166.5° | 174.7° |
| C68 | C66 | N20 | C65 | 164.3° | 151.2° |
| C68 | C66 | C67 | N21 | 101.2° | 60.0° |
| H112 | C66 | C67 | O15 | 37.2° | 120.0° |
| H112 | C66 | C68 | C69 | 40.4° | 54.4° |
| H112 | C66 | C68 | H113 | 160.9° | 174.5° |
| H112 | C66 | C68 | H114 | 80.0° | 65.6° |
| H112 | C66 | N20 | C65 | 46.8° | 31.2° |
| H112 | C66 | C67 | N21 | 142.4° | 60.1° |
| O15 | C67 | N21 | C70 | 2.3° | 0.0° |
| O15 | C67 | N21 | H116 | 177.7° | 179.9° |
| C69 | C68 | H113 | H114 | 118.6° | 120.1° |
| C68 | C69 | O16 | O17 | 179.8° | 179.9° |
| C68 | C69 | O17 | H115 | 179.8° | 180.0° |
| H113 | C68 | C69 | O16 | 134.2° | 125.4° |
| H113 | C68 | C69 | O17 | 46.0° | 54.7° |
| H114 | C68 | C69 | O16 | 106.7° | 114.5° |
| H114 | C68 | C69 | O17 | 73.1° | 65.4° |
| O16 | C69 | O17 | H115 | 0.0° | 0.1° |
| C70 | N21 | H116 | C67 | 180.0° | 179.9° |
| N21 | C70 | C71 | C72 | 120.7° | 120.0° |
| N21 | C70 | C71 | H117 | 120.1° | 120.0° |
| N21 | C70 | C72 | H117 | 120.7° | 120.0° |
| N21 | C70 | C71 | O18 | 131.6° | 0.0° |
| N21 | C70 | C72 | C73 | 167.3° | 65.0° |
| N21 | C70 | C72 | H118 | 71.9° | 55.0° |
| N21 | C70 | C72 | H119 | 46.5° | 175.0° |
| N21 | C70 | C71 | N22 | 48.7° | 180.0° |
| H116 | N21 | C70 | C71 | 98.9° | 24.9° |
| H116 | N21 | C70 | C72 | 21.4° | 95.1° |
| H116 | N21 | C70 | H117 | 141.4° | 144.9° |
| C71 | C70 | C72 | H117 | 119.3° | 120.0° |
| C70 | C71 | O18 | N22 | 179.6° | 179.9° |
| C71 | C70 | C72 | C73 | 47.3° | 175.0° |
| C71 | C70 | C72 | H118 | 168.1° | 65.0° |
| C71 | C70 | C72 | H119 | 73.5° | 55.0° |
| C70 | C71 | N22 | C75 | 179.6° | 180.0° |
| C70 | C71 | N22 | H123 | 0.4° | 0.0° |
| C71 | C70 | N21 | C67 | 81.1° | 155.0° |
| C72 | C70 | C71 | O18 | 107.6° | 119.9° |
| C70 | C72 | C73 | H118 | 120.8° | 120.0° |
| C70 | C72 | C73 | H119 | 120.8° | 120.0° |
| C70 | C72 | H118 | H119 | 117.5° | 120.0° |
| C70 | C72 | C73 | C74 | 162.2° | 180.0° |
| C70 | C72 | C73 | H120 | 77.3° | 60.0° |
| C70 | C72 | C73 | H121 | 41.7° | 60.0° |
| C72 | C70 | N21 | C67 | 158.6° | 85.0° |
| C72 | C70 | C71 | N22 | 72.0° | 60.0° |
| H117 | C70 | C71 | O18 | 11.5° | 120.0° |
| H117 | C70 | C72 | C73 | 72.0° | 55.0° |
| H117 | C70 | C72 | H118 | 48.8° | 175.0° |
| H117 | C70 | C72 | H119 | 167.2° | 65.0° |
| H117 | C70 | N21 | C67 | 38.6° | 35.0° |
| H117 | C70 | C71 | N22 | 168.8° | 60.1° |
| O18 | C71 | N22 | C75 | 0.1° | 0.0° |
| O18 | C71 | N22 | H123 | 179.9° | 179.9° |
| C73 | C72 | H118 | H119 | 117.5° | 120.0° |
| C72 | C73 | C74 | H120 | 120.5° | 120.0° |
| C72 | C73 | C74 | H121 | 120.5° | 120.0° |
| C72 | C73 | H120 | H121 | 118.5° | 120.0° |
| C72 | C73 | C74 | O19 | 76.1° | 0.0° |
| C72 | C73 | C74 | O20 | 104.3° | 180.0° |
| H118 | C72 | C73 | C74 | 41.4° | 60.0° |
| H118 | C72 | C73 | H120 | 161.9° | 180.0° |
| H118 | C72 | C73 | H121 | 79.1° | 60.0° |
| H119 | C72 | C73 | C74 | 77.0° | 60.0° |
| H119 | C72 | C73 | H120 | 43.5° | 60.0° |
| H119 | C72 | C73 | H121 | 162.5° | 180.0° |
| C74 | C73 | H120 | H121 | 118.5° | 120.1° |
| C73 | C74 | O19 | O20 | 179.6° | 180.0° |
| C73 | C74 | O20 | H122 | 179.6° | 180.0° |
| H120 | C73 | C74 | O19 | 163.4° | 120.0° |
| H120 | C73 | C74 | O20 | 16.2° | 60.0° |
| H121 | C73 | C74 | O19 | 44.4° | 120.0° |
| H121 | C73 | C74 | O20 | 135.2° | 60.0° |
| O19 | C74 | O20 | H122 | 0.0° | 0.0° |
| C75 | N22 | H123 | C71 | 180.0° | 180.0° |
| N22 | C75 | C76 | C83 | 118.0° | 120.0° |
| N22 | C75 | C76 | H124 | 120.7° | 120.0° |
| N22 | C75 | C83 | H124 | 120.7° | 120.0° |
| N22 | C75 | C76 | C77 | 173.6° | 65.0° |
| N22 | C75 | C76 | H125 | 65.5° | 55.1° |
| N22 | C75 | C76 | H126 | 52.8° | 175.0° |
| N22 | C75 | C83 | C84 | 78.2° | 65.0° |
| N22 | C75 | C83 | H132 | 161.3° | 175.0° |
| N22 | C75 | C83 | H133 | 42.4° | 55.1° |
| H123 | N22 | C75 | C76 | 41.7° | 95.0° |
| H123 | N22 | C75 | C83 | 78.2° | 25.0° |
| H123 | N22 | C75 | H124 | 161.7° | 145.0° |
| C76 | C75 | C83 | H124 | 121.2° | 120.0° |
| C75 | C76 | C77 | H125 | 120.9° | 120.0° |
| C75 | C76 | C77 | H126 | 120.8° | 120.0° |
| C75 | C76 | H125 | H126 | 117.4° | 120.0° |
| C75 | C76 | C77 | C78 | 84.2° | 90.0° |
| C75 | C76 | C77 | C82 | 97.5° | 90.3° |
| C76 | C75 | C83 | C84 | 163.8° | 175.0° |
| C76 | C75 | C83 | H132 | 43.2° | 55.0° |
| C76 | C75 | C83 | H133 | 75.7° | 65.0° |
| C76 | C75 | N22 | C71 | 138.3° | 85.0° |
| C83 | C75 | C76 | C77 | 55.6° | 175.0° |
| C83 | C75 | C76 | H125 | 176.4° | 65.0° |
| C83 | C75 | C76 | H126 | 65.2° | 55.0° |
| C75 | C83 | C84 | H132 | 120.5° | 120.0° |
| C75 | C83 | C84 | H133 | 120.5° | 120.0° |
| C75 | C83 | H132 | H133 | 118.4° | 120.0° |
| C75 | C83 | C84 | O21 | 59.9° | 0.0° |
| C83 | C75 | N22 | C71 | 101.8° | 155.0° |
| C75 | C83 | C84 | N23 | 119.9° | 180.0° |
| H124 | C75 | C76 | C77 | 65.7° | 55.0° |
| H124 | C75 | C76 | H125 | 55.1° | 175.0° |
| H124 | C75 | C76 | H126 | 173.5° | 65.0° |
| H124 | C75 | C83 | C84 | 42.5° | 55.0° |
| H124 | C75 | C83 | H132 | 78.0° | 65.0° |
| H124 | C75 | C83 | H133 | 163.1° | 175.0° |
| H124 | C75 | N22 | C71 | 18.3° | 35.0° |
| C77 | C76 | H125 | H126 | 117.3° | 120.0° |
| C76 | C77 | C78 | C82 | 178.3° | 179.7° |
| C76 | C77 | C78 | C79 | 179.6° | 180.0° |
| C76 | C77 | C78 | H127 | 0.4° | 0.1° |
| C76 | C77 | C82 | C81 | 179.6° | 179.8° |
| C76 | C77 | C82 | H131 | 0.4° | 0.0° |
| H125 | C76 | C77 | C78 | 36.7° | 30.0° |
| H125 | C76 | C77 | C82 | 141.6° | 149.7° |
| H126 | C76 | C77 | C78 | 155.0° | 150.0° |
| H126 | C76 | C77 | C82 | 23.3° | 29.7° |
| C77 | C78 | C79 | H127 | 180.0° | 179.9° |
| C77 | C78 | C79 | C80 | 1.1° | 0.1° |
| C77 | C78 | C79 | H128 | 178.9° | 179.9° |
| C78 | C77 | C82 | C81 | 1.3° | 0.5° |
| C78 | C77 | C82 | H131 | 178.7° | 179.7° |
| C82 | C77 | C78 | C79 | 1.3° | 0.3° |
| C82 | C77 | C78 | H127 | 178.7° | 179.8° |
| C77 | C82 | C81 | C80 | 1.1° | 0.4° |
| C77 | C82 | C81 | H131 | 180.0° | 179.7° |
| C77 | C82 | C81 | H130 | 178.9° | 179.7° |
| C78 | C79 | C80 | H128 | 180.0° | 180.0° |
| C78 | C79 | C80 | C81 | 0.9° | 0.0° |
| C78 | C79 | C80 | H129 | 179.1° | 180.0° |
| H127 | C78 | C79 | C80 | 178.9° | 180.0° |
| H127 | C78 | C79 | H128 | 1.1° | 0.1° |
| C79 | C80 | C81 | H129 | 180.0° | 180.0° |
| C79 | C80 | C81 | C82 | 0.9° | 0.2° |
| C79 | C80 | C81 | H130 | 179.1° | 180.0° |
| H128 | C79 | C80 | C81 | 179.1° | 180.0° |
| H128 | C79 | C80 | H129 | 0.9° | 0.0° |
| C80 | C81 | C82 | H130 | 180.0° | 179.8° |
| C80 | C81 | C82 | H131 | 178.9° | 179.8° |
| H129 | C80 | C81 | C82 | 179.1° | 179.8° |
| H129 | C80 | C81 | H130 | 0.9° | 0.0° |
| H130 | C81 | C82 | H131 | 1.1° | 0.0° |
| C84 | C83 | H132 | H133 | 118.4° | 120.0° |
| C83 | C84 | O21 | N23 | 179.8° | 179.9° |
| C83 | C84 | N23 | C85 | 177.3° | 174.7° |
| C83 | C84 | N23 | H134 | 2.7° | 5.2° |
| H132 | C83 | C84 | O21 | 60.7° | 120.1° |
| H132 | C83 | C84 | N23 | 119.5° | 60.0° |
| H133 | C83 | C84 | O21 | 179.6° | 120.0° |
| H133 | C83 | C84 | N23 | 0.6° | 59.9° |
| O21 | C84 | N23 | C85 | 2.9° | 5.3° |
| O21 | C84 | N23 | H134 | 177.1° | 174.7° |
| C85 | N23 | H134 | C84 | 180.0° | 180.0° |
| N23 | C85 | C86 | C87 | 127.5° | 120.0° |
| N23 | C85 | C86 | H135 | 119.1° | 120.0° |
| N23 | C85 | C87 | H135 | 114.1° | 120.0° |
| N23 | C85 | C86 | O22 | 144.4° | 0.0° |
| N23 | C85 | C87 | C88 | 155.2° | 65.8° |
| N23 | C85 | C87 | H136 | 34.7° | 54.2° |
| N23 | C85 | C87 | H137 | 84.4° | 174.3° |
| N23 | C85 | C86 | N25 | 35.5° | 180.0° |
| H134 | N23 | C85 | C86 | 126.0° | 97.4° |
| H134 | N23 | C85 | C87 | 1.8° | 22.6° |
| H134 | N23 | C85 | H135 | 115.3° | 142.6° |
| C86 | C85 | C87 | H135 | 113.4° | 120.0° |
| C85 | C86 | O22 | N25 | 179.9° | 180.0° |
| C86 | C85 | C87 | C88 | 72.3° | 174.3° |
| C86 | C85 | C87 | H136 | 167.2° | 65.7° |
| C86 | C85 | C87 | H137 | 48.1° | 54.3° |
| C85 | C86 | N25 | C89 | 177.0° | 180.0° |
| C85 | C86 | N25 | H140 | 3.0° | 0.0° |
| C86 | C85 | N23 | C84 | 54.0° | 82.7° |
| C87 | C85 | C86 | O22 | 88.1° | 120.0° |
| C85 | C87 | C88 | H136 | 120.5° | 120.0° |
| C85 | C87 | C88 | H137 | 120.4° | 120.0° |
| C85 | C87 | H136 | H137 | 118.6° | 120.1° |
| C85 | C87 | C88 | O23 | 67.9° | 4.9° |
| C85 | C87 | C88 | N24 | 113.1° | 175.2° |
| C87 | C85 | N23 | C84 | 178.2° | 157.4° |
| C87 | C85 | C86 | N25 | 92.0° | 60.0° |
| H135 | C85 | C86 | O22 | 25.3° | 120.0° |
| H135 | C85 | C87 | C88 | 41.1° | 54.3° |
| H135 | C85 | C87 | H136 | 79.3° | 174.3° |
| H135 | C85 | C87 | H137 | 161.6° | 65.7° |
| H135 | C85 | N23 | C84 | 64.7° | 37.4° |
| H135 | C85 | C86 | N25 | 154.6° | 60.0° |
| O22 | C86 | N25 | C89 | 3.1° | 0.0° |
| O22 | C86 | N25 | H140 | 176.9° | 180.0° |
| C88 | C87 | H136 | H137 | 118.6° | 119.9° |
| C87 | C88 | O23 | N24 | 178.9° | 179.9° |
| C87 | C88 | N24 | H138 | 179.0° | 0.1° |
| C87 | C88 | N24 | H139 | 1.0° | 180.0° |
| H136 | C87 | C88 | O23 | 52.5° | 115.2° |
| H136 | C87 | C88 | N24 | 126.5° | 64.8° |
| H137 | C87 | C88 | O23 | 171.6° | 124.9° |
| H137 | C87 | C88 | N24 | 7.4° | 55.2° |
| O23 | C88 | N24 | H138 | 0.0° | 180.0° |
| O23 | C88 | N24 | H139 | 180.0° | 0.0° |
| C88 | N24 | H138 | H139 | 180.0° | 179.9° |
| C89 | N25 | H140 | C86 | 180.0° | 180.0° |
| N25 | C89 | C90 | C91 | 126.0° | 120.0° |
| N25 | C89 | C90 | H141 | 118.3° | 120.0° |
| N25 | C89 | C91 | H141 | 116.4° | 120.0° |
| N25 | C89 | C90 | O24 | 143.9° | 0.1° |
| N25 | C89 | C91 | H142 | 180.0° | 60.0° |
| N25 | C89 | C91 | H143 | 60.0° | 180.0° |
| N25 | C89 | C91 | H144 | 60.0° | 60.0° |
| N25 | C89 | C90 | N26 | 34.4° | 180.0° |
| H140 | N25 | C89 | C90 | 114.6° | 25.0° |
| H140 | N25 | C89 | C91 | 11.7° | 95.0° |
| H140 | N25 | C89 | H141 | 127.6° | 145.1° |
| C90 | C89 | C91 | H141 | 115.6° | 120.0° |
| C89 | C90 | O24 | N26 | 178.2° | 179.9° |
| C90 | C89 | C91 | H142 | 52.0° | 60.0° |
| C90 | C89 | C91 | H143 | 172.0° | 59.9° |
| C90 | C89 | C91 | H144 | 68.0° | 180.0° |
| C89 | C90 | N26 | C92 | 174.5° | 180.0° |
| C89 | C90 | N26 | H145 | 5.4° | 0.1° |
| C90 | C89 | N25 | C86 | 65.4° | 155.0° |
| C91 | C89 | C90 | O24 | 90.0° | 120.0° |
| C89 | C91 | H142 | H143 | 120.0° | 120.0° |
| C89 | C91 | H142 | H144 | 120.0° | 120.0° |
| C89 | C91 | H143 | H144 | 120.0° | 120.0° |
| C91 | C89 | N25 | C86 | 168.3° | 85.0° |
| C91 | C89 | C90 | N26 | 91.7° | 59.9° |
| H141 | C89 | C90 | O24 | 25.6° | 120.1° |
| H141 | C89 | C91 | H142 | 63.6° | 180.0° |
| H141 | C89 | C91 | H143 | 56.4° | 60.0° |
| H141 | C89 | C91 | H144 | 176.4° | 60.0° |
| H141 | C89 | N25 | C86 | 52.4° | 35.0° |
| H141 | C89 | C90 | N26 | 152.7° | 60.0° |
| O24 | C90 | N26 | C92 | 7.2° | 0.1° |
| O24 | C90 | N26 | H145 | 172.8° | 180.0° |
| H142 | C91 | H143 | H144 | 119.9° | 120.0° |
| C92 | N26 | H145 | C90 | 180.0° | 180.0° |
| N26 | C92 | C93 | C94 | 123.9° | 120.0° |
| N26 | C92 | C93 | H146 | 120.3° | 120.0° |
| N26 | C92 | C94 | H146 | 117.2° | 120.0° |
| N26 | C92 | C93 | O25 | 173.8° | 0.0° |
| N26 | C92 | C94 | C95 | 60.2° | 65.0° |
| N26 | C92 | C94 | H147 | 60.4° | 55.0° |
| N26 | C92 | C94 | H148 | 179.2° | 175.0° |
| N26 | C92 | C93 | N27 | 7.1° | 180.0° |
| H145 | N26 | C92 | C93 | 47.5° | 25.0° |
| H145 | N26 | C92 | C94 | 76.1° | 95.0° |
| H145 | N26 | C92 | H146 | 167.3° | 145.0° |
| C93 | C92 | C94 | H146 | 115.9° | 120.0° |
| C92 | C93 | O25 | N27 | 179.0° | 180.0° |
| C93 | C92 | C94 | C95 | 172.8° | 175.0° |
| C93 | C92 | C94 | H147 | 66.6° | 65.0° |
| C93 | C92 | C94 | H148 | 52.2° | 55.0° |
| C92 | C93 | N27 | C103 | 178.9° | 175.0° |
| C92 | C93 | N27 | H157 | 1.2° | 5.1° |
| C93 | C92 | N26 | C90 | 132.6° | 155.0° |
| C94 | C92 | C93 | O25 | 62.3° | 120.0° |
| C92 | C94 | C95 | H147 | 120.6° | 120.0° |
| C92 | C94 | C95 | H148 | 120.6° | 120.0° |
| C92 | C94 | H147 | H148 | 118.1° | 120.0° |
| C92 | C94 | C95 | C96 | 81.3° | 90.0° |
| C92 | C94 | C95 | C97 | 98.5° | 90.3° |
| C94 | C92 | N26 | C90 | 103.8° | 85.0° |
| C94 | C92 | C93 | N27 | 116.8° | 60.0° |
| H146 | C92 | C93 | O25 | 53.5° | 120.0° |
| H146 | C92 | C94 | C95 | 57.0° | 55.0° |
| H146 | C92 | C94 | H147 | 177.6° | 175.0° |
| H146 | C92 | C94 | H148 | 63.6° | 65.0° |
| H146 | C92 | N26 | C90 | 12.7° | 35.0° |
| H146 | C92 | C93 | N27 | 127.4° | 60.0° |
| O25 | C93 | N27 | C103 | 0.2° | 5.0° |
| O25 | C93 | N27 | H157 | 179.8° | 174.9° |
| C95 | C94 | H147 | H148 | 118.2° | 120.0° |
| C94 | C95 | C96 | C97 | 179.7° | 179.7° |
| C94 | C95 | C96 | C98 | 179.5° | 180.0° |
| C94 | C95 | C96 | H149 | 0.5° | 0.0° |
| C94 | C95 | C97 | C99 | 179.6° | 180.0° |
| C94 | C95 | C97 | H150 | 0.4° | 0.0° |
| H147 | C94 | C95 | C96 | 158.1° | 30.0° |
| H147 | C94 | C95 | C97 | 22.1° | 149.7° |
| H148 | C94 | C95 | C96 | 39.3° | 150.0° |
| H148 | C94 | C95 | C97 | 140.9° | 29.7° |
| C95 | C96 | C98 | H149 | 180.0° | 179.9° |
| C96 | C95 | C97 | C99 | 0.2° | 0.3° |
| C96 | C95 | C97 | H150 | 179.9° | 179.7° |
| C95 | C96 | C98 | C100 | 0.4° | 0.1° |
| C95 | C96 | C98 | H151 | 179.6° | 180.0° |
| C97 | C95 | C96 | C98 | 0.2° | 0.3° |
| C97 | C95 | C96 | H149 | 179.8° | 179.8° |
| C95 | C97 | C99 | H150 | 180.0° | 180.0° |
| C95 | C97 | C99 | C100 | 0.2° | 0.0° |
| C95 | C97 | C99 | H152 | 179.8° | 180.0° |
| C96 | C98 | C100 | H151 | 180.0° | 180.0° |
| C96 | C98 | C100 | C99 | 0.4° | 0.2° |
| C96 | C98 | C100 | O26 | 179.8° | 180.0° |
| H149 | C96 | C98 | C100 | 179.6° | 180.0° |
| H149 | C96 | C98 | H151 | 0.4° | 0.1° |
| C97 | C99 | C100 | C98 | 0.4° | 0.3° |
| C97 | C99 | C100 | H152 | 180.0° | 180.0° |
| C97 | C99 | C100 | O26 | 179.9° | 180.0° |
| H150 | C97 | C99 | C100 | 179.8° | 180.0° |
| H150 | C97 | C99 | H152 | 0.2° | 0.0° |
| C98 | C100 | C99 | O26 | 179.8° | 179.7° |
| C98 | C100 | C99 | H152 | 179.7° | 179.7° |
| C98 | C100 | O26 | H153 | 180.0° | 90.0° |
| H151 | C98 | C100 | C99 | 179.6° | 179.7° |
| H151 | C98 | C100 | O26 | 0.2° | 0.0° |
| C99 | C100 | O26 | H153 | 0.2° | 89.7° |
| H152 | C99 | C100 | O26 | 0.1° | 0.0° |
| O27 | C101 | C102 | N28 | 179.8° | 179.9° |
| O27 | C101 | C102 | C103 | 117.0° | 4.5° |
| O27 | C101 | C102 | H154 | 2.6° | 115.5° |
| O27 | C101 | C102 | H155 | 123.4° | 124.5° |
| O27 | C101 | N28 | H165 | 0.0° | 0.0° |
| O27 | C101 | N28 | H166 | 180.0° | 179.9° |
| C101 | C102 | C103 | H154 | 119.6° | 120.0° |
| C101 | C102 | C103 | H155 | 119.6° | 120.0° |
| C101 | C102 | H154 | H155 | 121.3° | 120.0° |
| C101 | C102 | C103 | C104 | 165.3° | 173.9° |
| C101 | C102 | C103 | N27 | 73.6° | 66.1° |
| C101 | C102 | C103 | H156 | 47.0° | 54.0° |
| C102 | C101 | N28 | H165 | 179.7° | 180.0° |
| C102 | C101 | N28 | H166 | 0.2° | 0.0° |
| C103 | C102 | H154 | H155 | 121.3° | 120.0° |
| C102 | C103 | C104 | N27 | 119.9° | 120.0° |
| C102 | C103 | C104 | H156 | 118.5° | 120.0° |
| C102 | C103 | N27 | H156 | 120.0° | 120.0° |
| C102 | C103 | N27 | H157 | 48.8° | 54.3° |
| C102 | C103 | C104 | C105 | 171.4° | 175.0° |
| C102 | C103 | C104 | H158 | 68.4° | 65.0° |
| C102 | C103 | C104 | H159 | 51.2° | 55.0° |
| C102 | C103 | N27 | C93 | 131.2° | 125.7° |
| C103 | C102 | C101 | N28 | 62.8° | 175.4° |
| H154 | C102 | C103 | C104 | 75.1° | 66.1° |
| H154 | C102 | C103 | N27 | 46.0° | 54.0° |
| H154 | C102 | C103 | H156 | 166.5° | 174.0° |
| H154 | C102 | C101 | N28 | 177.6° | 64.6° |
| H155 | C102 | C103 | C104 | 45.7° | 53.9° |
| H155 | C102 | C103 | N27 | 166.8° | 173.9° |
| H155 | C102 | C103 | H156 | 72.6° | 66.0° |
| H155 | C102 | C101 | N28 | 56.8° | 55.4° |
| C104 | C103 | N27 | H156 | 121.0° | 120.0° |
| C104 | C103 | N27 | H157 | 70.2° | 65.7° |
| C103 | C104 | C105 | H158 | 120.2° | 119.9° |
| C103 | C104 | C105 | H159 | 120.2° | 120.0° |
| C103 | C104 | H158 | H159 | 119.4° | 120.0° |
| C103 | C104 | C105 | C106 | 97.0° | 90.0° |
| C103 | C104 | C105 | C110 | 83.6° | 90.3° |
| C104 | C103 | N27 | C93 | 109.8° | 114.3° |
| C103 | N27 | H157 | C93 | 180.0° | 179.9° |
| N27 | C103 | C104 | C105 | 68.7° | 65.0° |
| N27 | C103 | C104 | H158 | 51.5° | 55.0° |
| N27 | C103 | C104 | H159 | 171.1° | 175.0° |
| H156 | C103 | N27 | H157 | 168.8° | 174.3° |
| H156 | C103 | C104 | C105 | 52.9° | 55.0° |
| H156 | C103 | C104 | H158 | 173.1° | 175.0° |
| H156 | C103 | C104 | H159 | 67.3° | 65.0° |
| H156 | C103 | N27 | C93 | 11.2° | 5.7° |
| C105 | C104 | H158 | H159 | 119.3° | 120.1° |
| C104 | C105 | C106 | C110 | 179.4° | 179.7° |
| C104 | C105 | C106 | C107 | 179.8° | 180.0° |
| C104 | C105 | C106 | H160 | 0.1° | 0.0° |
| C104 | C105 | C110 | C109 | 180.0° | 179.7° |
| C104 | C105 | C110 | H164 | 0.0° | 0.0° |
| H158 | C104 | C105 | C106 | 142.7° | 29.9° |
| H158 | C104 | C105 | C110 | 36.6° | 149.8° |
| H159 | C104 | C105 | C106 | 23.2° | 150.0° |
| H159 | C104 | C105 | C110 | 156.2° | 29.7° |
| C105 | C106 | C107 | H160 | 180.0° | 180.0° |
| C105 | C106 | C107 | C108 | 0.1° | 0.0° |
| C105 | C106 | C107 | H161 | 179.9° | 179.9° |
| C106 | C105 | C110 | C109 | 0.6° | 0.6° |
| C106 | C105 | C110 | H164 | 179.4° | 179.7° |
| C110 | C105 | C106 | C107 | 0.5° | 0.3° |
| C110 | C105 | C106 | H160 | 179.5° | 179.7° |
| C105 | C110 | C109 | C108 | 0.2° | 0.6° |
| C105 | C110 | C109 | H164 | 180.0° | 179.7° |
| C105 | C110 | C109 | H163 | 179.8° | 179.7° |
| C106 | C107 | C108 | H161 | 180.0° | 179.9° |
| C106 | C107 | C108 | C109 | 0.6° | 0.0° |
| C106 | C107 | C108 | O28 | 179.7° | 180.0° |
| H160 | C106 | C107 | C108 | 179.9° | 180.0° |
| H160 | C106 | C107 | H161 | 0.1° | 0.1° |
| C107 | C108 | C109 | O28 | 179.7° | 180.0° |
| C107 | C108 | O28 | H162 | 180.0° | 90.0° |
| C107 | C108 | C109 | C110 | 0.5° | 0.3° |
| C107 | C108 | C109 | H163 | 179.6° | 180.0° |
| H161 | C107 | C108 | C109 | 179.4° | 179.9° |
| H161 | C107 | C108 | O28 | 0.3° | 0.0° |
| C109 | C108 | O28 | H162 | 0.2° | 90.1° |
| C108 | C109 | C110 | H163 | 180.0° | 179.7° |
| C108 | C109 | C110 | H164 | 179.8° | 179.7° |
| O28 | C108 | C109 | C110 | 179.8° | 179.7° |
| O28 | C108 | C109 | H163 | 0.2° | 0.0° |
| H163 | C109 | C110 | H164 | 0.2° | 0.0° |
| H165 | N28 | H166 | C101 | 180.0° | 179.9° |
