PRD_001229
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.47Å | 1.49Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C13 | sing | 1.51Å | 1.50Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | doub | 1.34Å | 1.39Å | Aromatic |
| C5 | C12 | sing | 1.47Å | 1.48Å | Aromatic |
| C6 | N2 | sing | 1.37Å | 1.36Å | Aromatic |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | C7 | sing | 1.38Å | 1.34Å | Aromatic |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.41Å | 1.48Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.37Å | 1.40Å | Aromatic |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | O2 | doub | 1.21Å | 1.24Å | |
| N3 | C14 | sing | 1.48Å | 1.44Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | O3 | doub | 1.21Å | 1.23Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| N4 | C20 | sing | 1.47Å | 1.46Å | |
| N4 | H24 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | O4 | doub | 1.22Å | 1.23Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | O5 | doub | 1.21Å | 1.25Å | |
| C23 | O6 | sing | 1.34Å | 1.25Å | |
| O6 | H28 | sing | 0.97Å | 0.95Å | |
| N5 | C24 | sing | 1.48Å | 1.46Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | O7 | doub | 1.21Å | 1.23Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | O8 | doub | 1.21Å | 1.23Å | |
| C28 | N6 | sing | 1.35Å | 1.33Å | |
| N6 | H35 | sing | 0.97Å | 1.00Å | |
| N6 | H36 | sing | 0.97Å | 1.00Å | |
| N7 | C29 | sing | 1.48Å | 1.46Å | |
| N7 | H37 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | O9 | doub | 1.21Å | 1.22Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | C33 | sing | 1.53Å | 1.52Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | C34 | sing | 1.53Å | 1.51Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | H45 | sing | 1.09Å | 1.10Å | |
| C34 | H46 | sing | 1.09Å | 1.10Å | |
| C34 | H47 | sing | 1.09Å | 1.10Å | |
| N8 | C35 | sing | 1.48Å | 1.46Å | |
| N8 | H48 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.51Å | 1.53Å | |
| C35 | C37 | sing | 1.53Å | 1.55Å | |
| C35 | H49 | sing | 1.09Å | 1.10Å | |
| C36 | O10 | doub | 1.21Å | 1.23Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C37 | C39 | sing | 1.53Å | 1.53Å | |
| C37 | H50 | sing | 1.09Å | 1.10Å | |
| C38 | H51 | sing | 1.09Å | 1.10Å | |
| C38 | H52 | sing | 1.09Å | 1.10Å | |
| C38 | H53 | sing | 1.09Å | 1.10Å | |
| C39 | H54 | sing | 1.09Å | 1.10Å | |
| C39 | H55 | sing | 1.09Å | 1.10Å | |
| C39 | H56 | sing | 1.09Å | 1.10Å | |
| N9 | C40 | sing | 1.48Å | 1.46Å | |
| N9 | H57 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.51Å | 1.49Å | |
| C40 | C42 | sing | 1.53Å | 1.53Å | |
| C40 | H58 | sing | 1.09Å | 1.10Å | |
| C41 | O11 | doub | 1.21Å | 1.22Å | |
| C42 | C43 | sing | 1.51Å | 1.51Å | |
| C42 | H59 | sing | 1.09Å | 1.10Å | |
| C42 | H60 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | doub | 1.34Å | 1.39Å | Aromatic |
| C43 | C45 | sing | 1.47Å | 1.47Å | Aromatic |
| C44 | N10 | sing | 1.37Å | 1.37Å | Aromatic |
| C44 | H61 | sing | 1.08Å | 1.08Å | |
| C45 | C46 | doub | 1.41Å | 1.47Å | Aromatic |
| C45 | C47 | sing | 1.40Å | 1.39Å | Aromatic |
| N10 | C46 | sing | 1.38Å | 1.35Å | Aromatic |
| N10 | H62 | sing | 0.97Å | 1.00Å | |
| C46 | C48 | sing | 1.39Å | 1.39Å | Aromatic |
| C47 | C49 | doub | 1.37Å | 1.40Å | Aromatic |
| C47 | H63 | sing | 1.08Å | 1.08Å | |
| C48 | C50 | doub | 1.38Å | 1.40Å | Aromatic |
| C48 | H64 | sing | 1.08Å | 1.08Å | |
| C49 | C50 | sing | 1.39Å | 1.41Å | Aromatic |
| C49 | H65 | sing | 1.08Å | 1.08Å | |
| C50 | H66 | sing | 1.08Å | 1.08Å | |
| N11 | C51 | sing | 1.48Å | 1.46Å | |
| N11 | H67 | sing | 0.97Å | 1.00Å | |
| C51 | C52 | sing | 1.51Å | 1.53Å | |
| C51 | C53 | sing | 1.53Å | 1.53Å | |
| C51 | H68 | sing | 1.09Å | 1.10Å | |
| C52 | O12 | doub | 1.21Å | 1.23Å | |
| C53 | C54 | sing | 1.51Å | 1.50Å | |
| C53 | H69 | sing | 1.09Å | 1.10Å | |
| C53 | H70 | sing | 1.09Å | 1.10Å | |
| C54 | C55 | doub | 1.38Å | 1.39Å | Aromatic |
| C54 | C56 | sing | 1.38Å | 1.39Å | Aromatic |
| C55 | C57 | sing | 1.38Å | 1.39Å | Aromatic |
| C55 | H71 | sing | 1.08Å | 1.08Å | |
| C56 | C58 | doub | 1.38Å | 1.39Å | Aromatic |
| C56 | H72 | sing | 1.08Å | 1.08Å | |
| C57 | C59 | doub | 1.38Å | 1.39Å | Aromatic |
| C57 | H73 | sing | 1.08Å | 1.08Å | |
| C58 | C59 | sing | 1.38Å | 1.39Å | Aromatic |
| C58 | H74 | sing | 1.08Å | 1.08Å | |
| C59 | H75 | sing | 1.08Å | 1.08Å | |
| N12 | C60 | sing | 1.48Å | 1.47Å | |
| N12 | H76 | sing | 0.97Å | 1.00Å | |
| C60 | C61 | sing | 1.50Å | 1.53Å | |
| C60 | C62 | sing | 1.53Å | 1.53Å | |
| C60 | H77 | sing | 1.09Å | 1.10Å | |
| C61 | O13 | doub | 1.21Å | 1.23Å | |
| C62 | C63 | sing | 1.51Å | 1.52Å | |
| C62 | H78 | sing | 1.09Å | 1.10Å | |
| C62 | H79 | sing | 1.09Å | 1.10Å | |
| C63 | O14 | doub | 1.21Å | 1.23Å | |
| C63 | N13 | sing | 1.35Å | 1.33Å | |
| N13 | H80 | sing | 0.97Å | 1.00Å | |
| N13 | H81 | sing | 0.97Å | 1.00Å | |
| N14 | C64 | sing | 1.48Å | 1.47Å | |
| N14 | H82 | sing | 0.97Å | 1.00Å | |
| C64 | C65 | sing | 1.49Å | 1.52Å | |
| C64 | C66 | sing | 1.52Å | 1.53Å | |
| C64 | H83 | sing | 1.10Å | 1.10Å | |
| C65 | O15 | doub | 1.23Å | 1.23Å | |
| C66 | H84 | sing | 1.09Å | 1.10Å | |
| C66 | H85 | sing | 1.09Å | 1.10Å | |
| C66 | H86 | sing | 1.09Å | 1.10Å | |
| N15 | C67 | sing | 1.48Å | 1.46Å | |
| N15 | C71 | sing | 1.46Å | 1.48Å | |
| C67 | C68 | sing | 1.50Å | 1.54Å | |
| C67 | C69 | sing | 1.53Å | 1.53Å | |
| C67 | H87 | sing | 1.10Å | 1.10Å | |
| C68 | O16 | doub | 1.21Å | 1.23Å | |
| C69 | C70 | sing | 1.54Å | 1.49Å | |
| C69 | H88 | sing | 1.09Å | 1.10Å | |
| C69 | H89 | sing | 1.09Å | 1.10Å | |
| C70 | C71 | sing | 1.54Å | 1.51Å | |
| C70 | H90 | sing | 1.09Å | 1.10Å | |
| C70 | H91 | sing | 1.09Å | 1.10Å | |
| C71 | H92 | sing | 1.09Å | 1.10Å | |
| C71 | H93 | sing | 1.09Å | 1.10Å | |
| N16 | C72 | sing | 1.47Å | 1.47Å | |
| N16 | H94 | sing | 0.97Å | 1.00Å | |
| C72 | C73 | sing | 1.51Å | 1.52Å | |
| C72 | H95 | sing | 1.09Å | 1.10Å | |
| C72 | H96 | sing | 1.10Å | 1.10Å | |
| C73 | O17 | doub | 1.21Å | 1.23Å | |
| N17 | C74 | sing | 1.48Å | 1.47Å | |
| N17 | H97 | sing | 0.97Å | 1.00Å | |
| C74 | C75 | sing | 1.51Å | 1.53Å | |
| C74 | C76 | sing | 1.53Å | 1.54Å | |
| C74 | H98 | sing | 1.09Å | 1.10Å | |
| C75 | O18 | doub | 1.22Å | 1.23Å | |
| C76 | C77 | sing | 1.51Å | 1.52Å | |
| C76 | H99 | sing | 1.09Å | 1.10Å | |
| C76 | H100 | sing | 1.09Å | 1.10Å | |
| C77 | O19 | doub | 1.21Å | 1.25Å | |
| C77 | O20 | sing | 1.34Å | 1.25Å | |
| O20 | H101 | sing | 0.97Å | 0.95Å | |
| N18 | C78 | sing | 1.48Å | 1.46Å | |
| N18 | H102 | sing | 0.97Å | 1.00Å | |
| C78 | C79 | sing | 1.51Å | 1.53Å | |
| C78 | C80 | sing | 1.53Å | 1.53Å | |
| C78 | H103 | sing | 1.09Å | 1.10Å | |
| C79 | O21 | doub | 1.21Å | 1.23Å | |
| C80 | C81 | sing | 1.53Å | 1.53Å | |
| C80 | H104 | sing | 1.09Å | 1.10Å | |
| C80 | H105 | sing | 1.09Å | 1.10Å | |
| C81 | C82 | sing | 1.53Å | 1.52Å | |
| C81 | C83 | sing | 1.53Å | 1.52Å | |
| C81 | H106 | sing | 1.09Å | 1.10Å | |
| C82 | H107 | sing | 1.09Å | 1.10Å | |
| C82 | H108 | sing | 1.09Å | 1.10Å | |
| C82 | H109 | sing | 1.09Å | 1.10Å | |
| C83 | H110 | sing | 1.09Å | 1.10Å | |
| C83 | H111 | sing | 1.09Å | 1.10Å | |
| C83 | H112 | sing | 1.09Å | 1.10Å | |
| N19 | C84 | sing | 1.48Å | 1.47Å | |
| N19 | H113 | sing | 0.97Å | 1.00Å | |
| C84 | C85 | sing | 1.51Å | 1.50Å | |
| C84 | C86 | sing | 1.53Å | 1.53Å | |
| C84 | H114 | sing | 1.09Å | 1.10Å | |
| C85 | O22 | doub | 1.21Å | 1.24Å | |
| C86 | C87 | sing | 1.51Å | 1.51Å | |
| C86 | H115 | sing | 1.09Å | 1.10Å | |
| C86 | H116 | sing | 1.09Å | 1.10Å | |
| C87 | N20 | sing | 1.34Å | 1.35Å | Aromatic |
| C87 | C88 | doub | 1.35Å | 1.40Å | Aromatic |
| N20 | C89 | doub | 1.31Å | 1.35Å | Aromatic |
| N20 | H117 | sing | 0.97Å | 1.00Å | |
| C88 | N21 | sing | 1.37Å | 1.35Å | Aromatic |
| C88 | H118 | sing | 1.08Å | 1.08Å | |
| C89 | N21 | sing | 1.35Å | 1.34Å | Aromatic |
| C89 | H119 | sing | 1.08Å | 1.08Å | |
| N21 | H120 | sing | 0.97Å | 1.00Å | |
| N22 | C90 | sing | 1.48Å | 1.46Å | |
| N22 | H121 | sing | 0.97Å | 1.00Å | |
| C90 | C91 | sing | 1.51Å | 1.53Å | |
| C90 | C92 | sing | 1.53Å | 1.53Å | |
| C90 | H122 | sing | 1.09Å | 1.10Å | |
| C91 | O23 | doub | 1.21Å | 1.23Å | |
| C92 | C93 | sing | 1.53Å | 1.54Å | |
| C92 | H123 | sing | 1.09Å | 1.10Å | |
| C92 | H124 | sing | 1.09Å | 1.10Å | |
| C93 | C94 | sing | 1.53Å | 1.53Å | |
| C93 | C95 | sing | 1.53Å | 1.52Å | |
| C93 | H125 | sing | 1.09Å | 1.10Å | |
| C94 | H126 | sing | 1.09Å | 1.10Å | |
| C94 | H127 | sing | 1.09Å | 1.10Å | |
| C94 | H128 | sing | 1.09Å | 1.10Å | |
| C95 | H129 | sing | 1.09Å | 1.10Å | |
| C95 | H130 | sing | 1.09Å | 1.10Å | |
| C95 | H131 | sing | 1.09Å | 1.10Å | |
| N23 | C96 | sing | 1.48Å | 1.46Å | |
| N23 | H132 | sing | 0.97Å | 1.00Å | |
| C96 | C97 | sing | 1.51Å | 1.53Å | |
| C96 | C98 | sing | 1.53Å | 1.53Å | |
| C96 | H133 | sing | 1.09Å | 1.10Å | |
| C97 | O24 | doub | 1.21Å | 1.23Å | |
| C98 | S1 | sing | 1.82Å | 1.80Å | |
| C98 | H134 | sing | 1.09Å | 1.10Å | |
| C98 | H135 | sing | 1.09Å | 1.10Å | |
| N24 | C99 | sing | 1.46Å | 0.00Å | |
| N24 | H136 | sing | 0.97Å | 0.00Å | |
| C99 | C100 | sing | 1.51Å | 0.00Å | |
| C99 | H137 | sing | 1.09Å | 0.00Å | |
| C99 | H138 | sing | 1.09Å | 0.00Å | |
| C100 | O25 | doub | 1.21Å | 0.00Å | |
| C100 | O26 | sing | 1.34Å | 0.00Å | |
| O26 | H139 | sing | 0.97Å | 0.00Å | |
| C1 | N1 | sing | 1.36Å | 1.33Å | |
| C2 | S1 | sing | 1.81Å | 1.85Å | |
| C13 | N3 | sing | 1.36Å | 1.33Å | |
| C15 | N4 | sing | 1.36Å | 1.33Å | |
| C21 | N5 | sing | 1.36Å | 1.33Å | |
| C25 | N7 | sing | 1.36Å | 1.33Å | |
| C30 | N8 | sing | 1.36Å | 1.32Å | |
| C36 | N9 | sing | 1.35Å | 1.33Å | |
| C41 | N11 | sing | 1.36Å | 1.33Å | |
| C52 | N12 | sing | 1.36Å | 1.33Å | |
| C61 | N14 | sing | 1.36Å | 1.33Å | |
| C65 | N15 | sing | 1.34Å | 1.35Å | |
| C68 | N16 | sing | 1.36Å | 1.33Å | |
| C73 | N17 | sing | 1.37Å | 1.33Å | |
| C75 | N18 | sing | 1.35Å | 1.33Å | |
| C79 | N19 | sing | 1.36Å | 1.33Å | |
| C85 | N22 | sing | 1.36Å | 1.33Å | |
| C91 | N23 | sing | 1.36Å | 1.33Å | |
| C97 | N24 | sing | 1.35Å | 56.66Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 119.5° | 119.8° |
| O1 | C1 | N1 | 124.3° | 120.4° |
| C1 | C2 | H1 | 102.8° | 109.5° |
| C1 | C2 | H2 | 102.8° | 109.3° |
| C2 | C1 | N1 | 115.4° | 119.8° |
| C1 | C2 | S1 | 135.0° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | S1 | 102.8° | 109.5° |
| H2 | C2 | S1 | 102.8° | 109.5° |
| C3 | N1 | H3 | 119.5° | 121.7° |
| N1 | C3 | C4 | 108.5° | 109.4° |
| N1 | C3 | C13 | 108.7° | 109.6° |
| N1 | C3 | H4 | 109.9° | 109.6° |
| C3 | N1 | C1 | 121.1° | 116.9° |
| H3 | N1 | C1 | 119.5° | 121.4° |
| C4 | C3 | C13 | 110.4° | 109.3° |
| C4 | C3 | H4 | 109.5° | 109.6° |
| C3 | C4 | C5 | 108.5° | 109.5° |
| C3 | C4 | H5 | 109.7° | 109.5° |
| C3 | C4 | H6 | 109.7° | 109.5° |
| C13 | C3 | H4 | 109.8° | 109.4° |
| C3 | C13 | O2 | 121.4° | 119.8° |
| C3 | C13 | N3 | 114.5° | 120.1° |
| C5 | C4 | H5 | 109.7° | 109.5° |
| C5 | C4 | H6 | 109.7° | 109.5° |
| C4 | C5 | C6 | 127.1° | 126.5° |
| C4 | C5 | C12 | 128.2° | 126.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| C6 | C5 | C12 | 104.7° | 107.0° |
| C5 | C6 | N2 | 111.2° | 109.9° |
| C5 | C6 | H7 | 124.4° | 125.0° |
| C5 | C12 | C7 | 105.7° | 106.0° |
| C5 | C12 | C11 | 133.1° | 134.0° |
| N2 | C6 | H7 | 124.4° | 125.0° |
| C6 | N2 | C7 | 111.4° | 109.9° |
| C6 | N2 | H8 | 124.3° | 125.0° |
| C7 | N2 | H8 | 124.3° | 125.1° |
| N2 | C7 | C8 | 134.4° | 133.6° |
| N2 | C7 | C12 | 106.9° | 107.2° |
| C8 | C7 | C12 | 118.6° | 119.3° |
| C7 | C8 | C9 | 119.1° | 119.8° |
| C7 | C8 | H9 | 120.5° | 120.1° |
| C7 | C12 | C11 | 121.1° | 120.0° |
| C9 | C8 | H9 | 120.4° | 120.1° |
| C8 | C9 | C10 | 121.8° | 120.6° |
| C8 | C9 | H10 | 119.1° | 119.7° |
| C10 | C9 | H10 | 119.1° | 119.7° |
| C9 | C10 | C11 | 121.4° | 120.5° |
| C9 | C10 | H11 | 119.3° | 119.7° |
| C11 | C10 | H11 | 119.3° | 119.8° |
| C10 | C11 | C12 | 118.0° | 119.8° |
| C10 | C11 | H12 | 121.0° | 120.1° |
| C12 | C11 | H12 | 121.0° | 120.1° |
| O2 | C13 | N3 | 124.1° | 120.1° |
| C14 | N3 | H13 | 118.8° | 121.7° |
| N3 | C14 | C15 | 110.9° | 109.6° |
| N3 | C14 | C16 | 110.4° | 109.5° |
| N3 | C14 | H14 | 108.9° | 109.6° |
| C14 | N3 | C13 | 122.4° | 116.5° |
| H13 | N3 | C13 | 118.8° | 121.8° |
| C15 | C14 | C16 | 110.6° | 109.3° |
| C15 | C14 | H14 | 108.0° | 109.4° |
| C14 | C15 | O3 | 120.1° | 119.7° |
| C14 | C15 | N4 | 116.1° | 119.9° |
| C16 | C14 | H14 | 107.9° | 109.5° |
| C14 | C16 | C17 | 116.7° | 109.5° |
| C14 | C16 | H15 | 107.6° | 109.4° |
| C14 | C16 | H16 | 107.6° | 109.5° |
| O3 | C15 | N4 | 123.8° | 120.4° |
| C17 | C16 | H15 | 107.6° | 109.5° |
| C17 | C16 | H16 | 107.6° | 109.5° |
| C16 | C17 | C18 | 111.3° | 109.5° |
| C16 | C17 | C19 | 110.0° | 109.5° |
| C16 | C17 | H17 | 108.2° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| C18 | C17 | C19 | 110.6° | 109.4° |
| C18 | C17 | H17 | 108.3° | 109.4° |
| C17 | C18 | H18 | 109.5° | 109.4° |
| C17 | C18 | H19 | 109.5° | 109.5° |
| C17 | C18 | H20 | 109.5° | 109.4° |
| C19 | C17 | H17 | 108.3° | 109.5° |
| C17 | C19 | H21 | 109.5° | 109.5° |
| C17 | C19 | H22 | 109.5° | 109.5° |
| C17 | C19 | H23 | 109.5° | 109.4° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H20 | 109.4° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H21 | C19 | H23 | 109.5° | 109.4° |
| H22 | C19 | H23 | 109.4° | 109.5° |
| C20 | N4 | H24 | 118.8° | 121.5° |
| N4 | C20 | C21 | 112.1° | 109.5° |
| N4 | C20 | C22 | 111.0° | 109.5° |
| N4 | C20 | H25 | 108.1° | 109.7° |
| C20 | N4 | C15 | 122.3° | 117.4° |
| H24 | N4 | C15 | 118.8° | 121.1° |
| C21 | C20 | C22 | 110.7° | 109.3° |
| C21 | C20 | H25 | 107.3° | 109.4° |
| C20 | C21 | O4 | 120.6° | 120.0° |
| C20 | C21 | N5 | 116.1° | 119.6° |
| C22 | C20 | H25 | 107.3° | 109.6° |
| C20 | C22 | C23 | 112.7° | 109.5° |
| C20 | C22 | H26 | 108.7° | 109.5° |
| C20 | C22 | H27 | 108.7° | 109.4° |
| O4 | C21 | N5 | 123.3° | 120.4° |
| C23 | C22 | H26 | 108.6° | 109.5° |
| C23 | C22 | H27 | 108.7° | 109.5° |
| C22 | C23 | O5 | 117.9° | 120.0° |
| C22 | C23 | O6 | 119.1° | 120.0° |
| H26 | C22 | H27 | 109.5° | 109.5° |
| O5 | C23 | O6 | 123.0° | 120.0° |
| C23 | O6 | H28 | 109.5° | 117.0° |
| C24 | N5 | H29 | 118.9° | 121.7° |
| N5 | C24 | C25 | 113.2° | 108.9° |
| N5 | C24 | C26 | 110.3° | 109.7° |
| N5 | C24 | H30 | 108.5° | 109.8° |
| C24 | N5 | C21 | 122.3° | 116.4° |
| H29 | N5 | C21 | 118.8° | 121.9° |
| C25 | C24 | C26 | 109.7° | 109.5° |
| C25 | C24 | H30 | 107.5° | 109.4° |
| C24 | C25 | O7 | 120.3° | 120.0° |
| C24 | C25 | N7 | 116.9° | 119.2° |
| C26 | C24 | H30 | 107.5° | 109.5° |
| C24 | C26 | C27 | 113.8° | 109.5° |
| C24 | C26 | H31 | 108.4° | 109.5° |
| C24 | C26 | H32 | 108.3° | 109.5° |
| O7 | C25 | N7 | 122.8° | 120.9° |
| C27 | C26 | H31 | 108.4° | 109.5° |
| C27 | C26 | H32 | 108.4° | 109.5° |
| C26 | C27 | C28 | 112.5° | 109.4° |
| C26 | C27 | H33 | 108.7° | 109.5° |
| C26 | C27 | H34 | 108.7° | 109.5° |
| H31 | C26 | H32 | 109.5° | 109.5° |
| C28 | C27 | H33 | 108.7° | 109.5° |
| C28 | C27 | H34 | 108.7° | 109.5° |
| C27 | C28 | O8 | 120.8° | 120.0° |
| C27 | C28 | N6 | 116.5° | 119.9° |
| H33 | C27 | H34 | 109.4° | 109.5° |
| O8 | C28 | N6 | 122.6° | 120.1° |
| C28 | N6 | H35 | 120.0° | 120.0° |
| C28 | N6 | H36 | 120.0° | 119.9° |
| H35 | N6 | H36 | 120.0° | 120.0° |
| C29 | N7 | H37 | 119.5° | 121.7° |
| N7 | C29 | C30 | 113.2° | 108.6° |
| N7 | C29 | C31 | 111.8° | 109.7° |
| N7 | C29 | H38 | 107.8° | 110.1° |
| C29 | N7 | C25 | 121.0° | 117.3° |
| H37 | N7 | C25 | 119.5° | 121.1° |
| C30 | C29 | C31 | 109.6° | 109.3° |
| C30 | C29 | H38 | 107.1° | 109.4° |
| C29 | C30 | O9 | 120.3° | 120.1° |
| C29 | C30 | N8 | 117.2° | 119.2° |
| C31 | C29 | H38 | 106.9° | 109.7° |
| C29 | C31 | C32 | 110.4° | 109.5° |
| C29 | C31 | C33 | 110.0° | 109.4° |
| C29 | C31 | H39 | 108.0° | 109.5° |
| O9 | C30 | N8 | 122.5° | 120.7° |
| C32 | C31 | C33 | 112.0° | 109.5° |
| C32 | C31 | H39 | 108.1° | 109.5° |
| C31 | C32 | C34 | 113.5° | 109.4° |
| C31 | C32 | H40 | 108.5° | 109.5° |
| C31 | C32 | H41 | 108.5° | 109.5° |
| C33 | C31 | H39 | 108.2° | 109.5° |
| C31 | C33 | H42 | 109.5° | 109.5° |
| C31 | C33 | H43 | 109.5° | 109.5° |
| C31 | C33 | H44 | 109.5° | 109.5° |
| C34 | C32 | H40 | 108.5° | 109.5° |
| C34 | C32 | H41 | 108.5° | 109.5° |
| C32 | C34 | H45 | 109.5° | 109.5° |
| C32 | C34 | H46 | 109.5° | 109.5° |
| C32 | C34 | H47 | 109.5° | 109.5° |
| H40 | C32 | H41 | 109.5° | 109.5° |
| H42 | C33 | H43 | 109.4° | 109.4° |
| H42 | C33 | H44 | 109.5° | 109.4° |
| H43 | C33 | H44 | 109.5° | 109.5° |
| H45 | C34 | H46 | 109.5° | 109.4° |
| H45 | C34 | H47 | 109.5° | 109.4° |
| H46 | C34 | H47 | 109.4° | 109.5° |
| C35 | N8 | H48 | 119.9° | 121.6° |
| N8 | C35 | C36 | 109.0° | 108.2° |
| N8 | C35 | C37 | 111.4° | 109.9° |
| N8 | C35 | H49 | 109.0° | 110.2° |
| C35 | N8 | C30 | 120.4° | 116.9° |
| H48 | N8 | C30 | 119.8° | 121.5° |
| C36 | C35 | C37 | 111.2° | 109.5° |
| C36 | C35 | H49 | 108.2° | 109.3° |
| C35 | C36 | O10 | 120.4° | 119.9° |
| C35 | C36 | N9 | 116.2° | 119.1° |
| C37 | C35 | H49 | 107.9° | 109.7° |
| C35 | C37 | C38 | 111.1° | 109.4° |
| C35 | C37 | C39 | 110.6° | 109.5° |
| C35 | C37 | H50 | 107.9° | 109.5° |
| O10 | C36 | N9 | 123.4° | 121.0° |
| C38 | C37 | C39 | 110.7° | 109.5° |
| C38 | C37 | H50 | 108.2° | 109.5° |
| C37 | C38 | H51 | 109.5° | 109.5° |
| C37 | C38 | H52 | 109.5° | 109.5° |
| C37 | C38 | H53 | 109.5° | 109.5° |
| C39 | C37 | H50 | 108.2° | 109.5° |
| C37 | C39 | H54 | 109.5° | 109.5° |
| C37 | C39 | H55 | 109.5° | 109.4° |
| C37 | C39 | H56 | 109.4° | 109.5° |
| H51 | C38 | H52 | 109.4° | 109.4° |
| H51 | C38 | H53 | 109.5° | 109.5° |
| H52 | C38 | H53 | 109.5° | 109.5° |
| H54 | C39 | H55 | 109.5° | 109.5° |
| H54 | C39 | H56 | 109.5° | 109.5° |
| H55 | C39 | H56 | 109.5° | 109.5° |
| C40 | N9 | H57 | 118.4° | 121.6° |
| N9 | C40 | C41 | 110.0° | 108.5° |
| N9 | C40 | C42 | 111.4° | 109.6° |
| N9 | C40 | H58 | 108.8° | 110.1° |
| C40 | N9 | C36 | 123.2° | 117.3° |
| H57 | N9 | C36 | 118.4° | 121.1° |
| C41 | C40 | C42 | 110.1° | 109.4° |
| C41 | C40 | H58 | 108.4° | 109.5° |
| C40 | C41 | O11 | 120.1° | 119.9° |
| C40 | C41 | N11 | 116.8° | 119.4° |
| C42 | C40 | H58 | 108.0° | 109.8° |
| C40 | C42 | C43 | 114.7° | 109.4° |
| C40 | C42 | H59 | 108.1° | 109.4° |
| C40 | C42 | H60 | 108.2° | 109.4° |
| O11 | C41 | N11 | 123.1° | 120.7° |
| C43 | C42 | H59 | 108.2° | 109.5° |
| C43 | C42 | H60 | 108.1° | 109.5° |
| C42 | C43 | C44 | 127.5° | 126.5° |
| C42 | C43 | C45 | 127.4° | 126.5° |
| H59 | C42 | H60 | 109.5° | 109.5° |
| C44 | C43 | C45 | 105.1° | 107.0° |
| C43 | C44 | N10 | 110.9° | 109.9° |
| C43 | C44 | H61 | 124.6° | 125.1° |
| C43 | C45 | C46 | 106.1° | 106.1° |
| C43 | C45 | C47 | 134.8° | 134.0° |
| N10 | C44 | H61 | 124.6° | 125.0° |
| C44 | N10 | C46 | 110.8° | 109.9° |
| C44 | N10 | H62 | 124.6° | 125.0° |
| C46 | C45 | C47 | 119.1° | 119.9° |
| C45 | C46 | N10 | 107.1° | 107.1° |
| C45 | C46 | C48 | 122.0° | 119.3° |
| C45 | C47 | C49 | 118.4° | 119.7° |
| C45 | C47 | H63 | 120.8° | 120.2° |
| C46 | N10 | H62 | 124.6° | 125.1° |
| N10 | C46 | C48 | 130.9° | 133.6° |
| C46 | C48 | C50 | 117.0° | 119.8° |
| C46 | C48 | H64 | 121.5° | 120.0° |
| C49 | C47 | H63 | 120.8° | 120.1° |
| C47 | C49 | C50 | 121.7° | 120.5° |
| C47 | C49 | H65 | 119.2° | 119.7° |
| C50 | C48 | H64 | 121.5° | 120.2° |
| C48 | C50 | C49 | 121.9° | 120.7° |
| C48 | C50 | H66 | 119.1° | 119.7° |
| C50 | C49 | H65 | 119.2° | 119.7° |
| C49 | C50 | H66 | 119.0° | 119.6° |
| C51 | N11 | H67 | 118.9° | 120.8° |
| N11 | C51 | C52 | 111.1° | 108.2° |
| N11 | C51 | C53 | 110.4° | 109.5° |
| N11 | C51 | H68 | 108.8° | 110.4° |
| C51 | N11 | C41 | 122.3° | 117.8° |
| H67 | N11 | C41 | 118.9° | 121.4° |
| C52 | C51 | C53 | 110.7° | 109.4° |
| C52 | C51 | H68 | 107.9° | 109.6° |
| C51 | C52 | O12 | 120.1° | 119.7° |
| C51 | C52 | N12 | 116.6° | 119.9° |
| C53 | C51 | H68 | 107.8° | 109.7° |
| C51 | C53 | C54 | 114.2° | 109.5° |
| C51 | C53 | H69 | 108.3° | 109.5° |
| C51 | C53 | H70 | 108.3° | 109.5° |
| O12 | C52 | N12 | 123.3° | 120.4° |
| C54 | C53 | H69 | 108.3° | 109.5° |
| C54 | C53 | H70 | 108.3° | 109.5° |
| C53 | C54 | C55 | 120.7° | 120.0° |
| C53 | C54 | C56 | 120.6° | 120.0° |
| H69 | C53 | H70 | 109.5° | 109.5° |
| C55 | C54 | C56 | 118.6° | 120.0° |
| C54 | C55 | C57 | 120.9° | 120.0° |
| C54 | C55 | H71 | 119.5° | 120.0° |
| C54 | C56 | C58 | 120.8° | 120.0° |
| C54 | C56 | H72 | 119.6° | 120.0° |
| C57 | C55 | H71 | 119.6° | 120.0° |
| C55 | C57 | C59 | 119.9° | 120.0° |
| C55 | C57 | H73 | 120.0° | 120.0° |
| C58 | C56 | H72 | 119.6° | 120.0° |
| C56 | C58 | C59 | 120.0° | 120.0° |
| C56 | C58 | H74 | 120.0° | 120.0° |
| C59 | C57 | H73 | 120.1° | 120.1° |
| C57 | C59 | C58 | 119.8° | 120.1° |
| C57 | C59 | H75 | 120.1° | 120.0° |
| C59 | C58 | H74 | 120.0° | 120.0° |
| C58 | C59 | H75 | 120.1° | 120.0° |
| C60 | N12 | H76 | 118.6° | 121.2° |
| N12 | C60 | C61 | 115.3° | 110.6° |
| N12 | C60 | C62 | 110.9° | 109.2° |
| N12 | C60 | H77 | 106.9° | 109.6° |
| C60 | N12 | C52 | 122.7° | 117.4° |
| H76 | N12 | C52 | 118.7° | 121.4° |
| C61 | C60 | C62 | 110.6° | 109.3° |
| C61 | C60 | H77 | 106.3° | 108.9° |
| C60 | C61 | O13 | 120.1° | 119.5° |
| C60 | C61 | N14 | 117.2° | 119.9° |
| C62 | C60 | H77 | 106.3° | 109.4° |
| C60 | C62 | C63 | 112.7° | 109.5° |
| C60 | C62 | H78 | 108.7° | 109.5° |
| C60 | C62 | H79 | 108.6° | 109.4° |
| O13 | C61 | N14 | 122.7° | 120.6° |
| C63 | C62 | H78 | 108.7° | 109.5° |
| C63 | C62 | H79 | 108.6° | 109.4° |
| C62 | C63 | O14 | 121.1° | 120.0° |
| C62 | C63 | N13 | 116.4° | 120.0° |
| H78 | C62 | H79 | 109.5° | 109.5° |
| O14 | C63 | N13 | 122.5° | 120.0° |
| C63 | N13 | H80 | 120.0° | 120.0° |
| C63 | N13 | H81 | 120.0° | 120.0° |
| H80 | N13 | H81 | 120.0° | 120.0° |
| C64 | N14 | H82 | 118.8° | 120.6° |
| N14 | C64 | C65 | 110.1° | 109.0° |
| N14 | C64 | C66 | 110.6° | 107.9° |
| N14 | C64 | H83 | 109.1° | 108.4° |
| C64 | N14 | C61 | 122.4° | 117.0° |
| H82 | N14 | C61 | 118.8° | 122.4° |
| C65 | C64 | C66 | 110.2° | 113.3° |
| C65 | C64 | H83 | 108.4° | 109.1° |
| C64 | C65 | O15 | 119.5° | 116.1° |
| C64 | C65 | N15 | 117.7° | 128.0° |
| C66 | C64 | H83 | 108.4° | 109.0° |
| C64 | C66 | H84 | 109.5° | 109.5° |
| C64 | C66 | H85 | 109.5° | 109.5° |
| C64 | C66 | H86 | 109.5° | 109.4° |
| O15 | C65 | N15 | 122.7° | 115.9° |
| H84 | C66 | H85 | 109.5° | 109.5° |
| H84 | C66 | H86 | 109.5° | 109.5° |
| H85 | C66 | H86 | 109.4° | 109.5° |
| C67 | N15 | C71 | 111.7° | 107.9° |
| N15 | C67 | C68 | 113.3° | 111.3° |
| N15 | C67 | C69 | 103.0° | 108.6° |
| N15 | C67 | H87 | 110.4° | 108.2° |
| C67 | N15 | C65 | 118.7° | 122.8° |
| N15 | C71 | C70 | 103.8° | 109.0° |
| N15 | C71 | H92 | 110.9° | 110.1° |
| N15 | C71 | H93 | 110.9° | 109.9° |
| C71 | N15 | C65 | 129.4° | 129.3° |
| C68 | C67 | C69 | 111.3° | 110.7° |
| C68 | C67 | H87 | 109.4° | 109.9° |
| C67 | C68 | O16 | 120.1° | 118.4° |
| C67 | C68 | N16 | 116.6° | 122.9° |
| C69 | C67 | H87 | 109.4° | 107.9° |
| C67 | C69 | C70 | 103.8° | 104.3° |
| C67 | C69 | H88 | 110.9° | 110.2° |
| C67 | C69 | H89 | 110.9° | 110.7° |
| O16 | C68 | N16 | 123.2° | 118.7° |
| C70 | C69 | H88 | 110.9° | 110.4° |
| C70 | C69 | H89 | 110.8° | 110.6° |
| C69 | C70 | C71 | 106.0° | 104.2° |
| C69 | C70 | H90 | 110.3° | 110.4° |
| C69 | C70 | H91 | 110.3° | 110.7° |
| H88 | C69 | H89 | 109.5° | 110.5° |
| C71 | C70 | H90 | 110.3° | 110.0° |
| C71 | C70 | H91 | 110.3° | 110.3° |
| C70 | C71 | H92 | 110.9° | 109.1° |
| C70 | C71 | H93 | 110.9° | 108.2° |
| H90 | C70 | H91 | 109.4° | 111.0° |
| H92 | C71 | H93 | 109.5° | 110.5° |
| C72 | N16 | H94 | 118.8° | 122.2° |
| N16 | C72 | C73 | 118.9° | 112.4° |
| N16 | C72 | H95 | 107.1° | 109.7° |
| N16 | C72 | H96 | 107.0° | 108.8° |
| C72 | N16 | C68 | 122.3° | 116.3° |
| H94 | N16 | C68 | 118.9° | 121.5° |
| C73 | C72 | H95 | 107.1° | 108.9° |
| C73 | C72 | H96 | 107.1° | 108.5° |
| C72 | C73 | O17 | 119.8° | 121.8° |
| C72 | C73 | N17 | 117.9° | 115.8° |
| H95 | C72 | H96 | 109.5° | 108.4° |
| O17 | C73 | N17 | 122.3° | 122.4° |
| C74 | N17 | H97 | 119.5° | 120.8° |
| N17 | C74 | C75 | 114.1° | 108.3° |
| N17 | C74 | C76 | 110.8° | 109.5° |
| N17 | C74 | H98 | 107.3° | 109.9° |
| C74 | N17 | C73 | 121.1° | 118.9° |
| H97 | N17 | C73 | 119.4° | 120.3° |
| C75 | C74 | C76 | 111.2° | 109.6° |
| C75 | C74 | H98 | 106.5° | 109.6° |
| C74 | C75 | O18 | 120.7° | 118.8° |
| C74 | C75 | N18 | 116.3° | 121.9° |
| C76 | C74 | H98 | 106.5° | 109.9° |
| C74 | C76 | C77 | 112.9° | 109.5° |
| C74 | C76 | H99 | 108.6° | 109.5° |
| C74 | C76 | H100 | 108.6° | 109.5° |
| O18 | C75 | N18 | 123.0° | 119.3° |
| C77 | C76 | H99 | 108.6° | 109.4° |
| C77 | C76 | H100 | 108.6° | 109.5° |
| C76 | C77 | O19 | 118.8° | 120.0° |
| C76 | C77 | O20 | 118.5° | 120.0° |
| H99 | C76 | H100 | 109.5° | 109.5° |
| O19 | C77 | O20 | 122.6° | 120.0° |
| C77 | O20 | H101 | 109.5° | 117.0° |
| C78 | N18 | H102 | 118.9° | 121.2° |
| N18 | C78 | C79 | 112.7° | 109.4° |
| N18 | C78 | C80 | 110.5° | 109.6° |
| N18 | C78 | H103 | 108.2° | 110.0° |
| C78 | N18 | C75 | 122.3° | 116.9° |
| H102 | N18 | C75 | 118.9° | 121.9° |
| C79 | C78 | C80 | 110.5° | 109.2° |
| C79 | C78 | H103 | 107.4° | 109.1° |
| C78 | C79 | O21 | 120.4° | 120.6° |
| C78 | C79 | N19 | 116.0° | 117.8° |
| C80 | C78 | H103 | 107.3° | 109.5° |
| C78 | C80 | C81 | 117.8° | 109.5° |
| C78 | C80 | H104 | 107.3° | 109.5° |
| C78 | C80 | H105 | 107.3° | 109.5° |
| O21 | C79 | N19 | 123.6° | 121.6° |
| C81 | C80 | H104 | 107.4° | 109.5° |
| C81 | C80 | H105 | 107.3° | 109.4° |
| C80 | C81 | C82 | 112.0° | 109.5° |
| C80 | C81 | C83 | 110.9° | 109.5° |
| C80 | C81 | H106 | 107.5° | 109.5° |
| H104 | C80 | H105 | 109.5° | 109.4° |
| C82 | C81 | C83 | 110.9° | 109.5° |
| C82 | C81 | H106 | 107.7° | 109.5° |
| C81 | C82 | H107 | 109.5° | 109.4° |
| C81 | C82 | H108 | 109.5° | 109.5° |
| C81 | C82 | H109 | 109.5° | 109.5° |
| C83 | C81 | H106 | 107.6° | 109.5° |
| C81 | C83 | H110 | 109.5° | 109.5° |
| C81 | C83 | H111 | 109.5° | 109.5° |
| C81 | C83 | H112 | 109.5° | 109.5° |
| H107 | C82 | H108 | 109.4° | 109.4° |
| H107 | C82 | H109 | 109.5° | 109.5° |
| H108 | C82 | H109 | 109.4° | 109.5° |
| H110 | C83 | H111 | 109.5° | 109.5° |
| H110 | C83 | H112 | 109.5° | 109.5° |
| H111 | C83 | H112 | 109.4° | 109.5° |
| C84 | N19 | H113 | 118.1° | 121.4° |
| N19 | C84 | C85 | 110.2° | 108.2° |
| N19 | C84 | C86 | 111.5° | 109.7° |
| N19 | C84 | H114 | 108.1° | 110.3° |
| C84 | N19 | C79 | 123.7° | 117.6° |
| H113 | N19 | C79 | 118.1° | 121.0° |
| C85 | C84 | C86 | 111.8° | 109.3° |
| C85 | C84 | H114 | 107.7° | 109.5° |
| C84 | C85 | O22 | 121.2° | 120.2° |
| C84 | C85 | N22 | 115.4° | 118.8° |
| C86 | C84 | H114 | 107.3° | 109.8° |
| C84 | C86 | C87 | 113.7° | 109.4° |
| C84 | C86 | H115 | 108.4° | 109.4° |
| C84 | C86 | H116 | 108.4° | 109.5° |
| O22 | C85 | N22 | 123.3° | 121.0° |
| C87 | C86 | H115 | 108.4° | 109.5° |
| C87 | C86 | H116 | 108.4° | 109.5° |
| C86 | C87 | N20 | 122.5° | 126.0° |
| C86 | C87 | C88 | 131.1° | 126.0° |
| H115 | C86 | H116 | 109.5° | 109.5° |
| N20 | C87 | C88 | 106.4° | 108.0° |
| C87 | N20 | C89 | 109.4° | 109.2° |
| C87 | N20 | H117 | 125.3° | 125.4° |
| C87 | C88 | N21 | 107.4° | 106.8° |
| C87 | C88 | H118 | 126.3° | 126.6° |
| C89 | N20 | H117 | 125.3° | 125.4° |
| N20 | C89 | N21 | 108.0° | 108.7° |
| N20 | C89 | H119 | 126.0° | 125.6° |
| N21 | C88 | H118 | 126.3° | 126.6° |
| C88 | N21 | C89 | 108.7° | 107.2° |
| C88 | N21 | H120 | 125.6° | 126.4° |
| N21 | C89 | H119 | 126.0° | 125.7° |
| C89 | N21 | H120 | 125.6° | 126.4° |
| C90 | N22 | H121 | 119.2° | 121.1° |
| N22 | C90 | C91 | 114.2° | 108.2° |
| N22 | C90 | C92 | 110.4° | 109.5° |
| N22 | C90 | H122 | 107.3° | 110.4° |
| C90 | N22 | C85 | 121.7° | 117.4° |
| H121 | N22 | C85 | 119.1° | 121.5° |
| C91 | C90 | C92 | 111.6° | 109.3° |
| C91 | C90 | H122 | 106.5° | 109.7° |
| C90 | C91 | O23 | 120.1° | 119.9° |
| C90 | C91 | N23 | 116.7° | 119.5° |
| C92 | C90 | H122 | 106.4° | 109.7° |
| C90 | C92 | C93 | 116.8° | 109.4° |
| C90 | C92 | H123 | 107.6° | 109.4° |
| C90 | C92 | H124 | 107.6° | 109.5° |
| O23 | C91 | N23 | 123.2° | 120.7° |
| C93 | C92 | H123 | 107.6° | 109.4° |
| C93 | C92 | H124 | 107.6° | 109.5° |
| C92 | C93 | C94 | 113.7° | 109.5° |
| C92 | C93 | C95 | 110.2° | 109.5° |
| C92 | C93 | H125 | 107.2° | 109.6° |
| H123 | C92 | H124 | 109.5° | 109.5° |
| C94 | C93 | C95 | 110.7° | 109.4° |
| C94 | C93 | H125 | 107.3° | 109.4° |
| C93 | C94 | H126 | 109.5° | 109.4° |
| C93 | C94 | H127 | 109.5° | 109.5° |
| C93 | C94 | H128 | 109.4° | 109.4° |
| C95 | C93 | H125 | 107.4° | 109.4° |
| C93 | C95 | H129 | 109.5° | 109.5° |
| C93 | C95 | H130 | 109.5° | 109.5° |
| C93 | C95 | H131 | 109.5° | 109.5° |
| H126 | C94 | H127 | 109.5° | 109.5° |
| H126 | C94 | H128 | 109.5° | 109.5° |
| H127 | C94 | H128 | 109.5° | 109.5° |
| H129 | C95 | H130 | 109.5° | 109.5° |
| H129 | C95 | H131 | 109.4° | 109.5° |
| H130 | C95 | H131 | 109.4° | 109.4° |
| C96 | N23 | H132 | 118.9° | 121.5° |
| N23 | C96 | C97 | 111.8° | 109.7° |
| N23 | C96 | C98 | 110.4° | 107.9° |
| N23 | C96 | H133 | 108.6° | 110.0° |
| C96 | N23 | C91 | 122.1° | 116.6° |
| H132 | N23 | C91 | 119.0° | 121.9° |
| C97 | C96 | C98 | 110.5° | 109.6° |
| C97 | C96 | H133 | 107.7° | 109.8° |
| C96 | C97 | O24 | 120.9° | 120.0° |
| C96 | C97 | N24 | 60.2° | 120.0° |
| C98 | C96 | H133 | 107.7° | 109.7° |
| C96 | C98 | S1 | 113.5° | 110.0° |
| C96 | C98 | H134 | 108.4° | 109.4° |
| C96 | C98 | H135 | 108.5° | 109.3° |
| O24 | C97 | N24 | 132.6° | 120.0° |
| S1 | C98 | H134 | 108.5° | 109.5° |
| S1 | C98 | H135 | 108.4° | 109.1° |
| C98 | S1 | C2 | 112.3° | 102.5° |
| H134 | C98 | H135 | 109.5° | 109.5° |
| C99 | N24 | H136 | 90.0° | 120.0° |
| N24 | C99 | C100 | 90.0° | 109.5° |
| N24 | C99 | H137 | 90.0° | 109.5° |
| N24 | C99 | H138 | 90.0° | 109.4° |
| C99 | N24 | C97 | 90.0° | 120.0° |
| H136 | N24 | C97 | 90.0° | 120.0° |
| C100 | C99 | H137 | 90.0° | 109.5° |
| C100 | C99 | H138 | 90.0° | 109.4° |
| C99 | C100 | O25 | 90.0° | 120.0° |
| C99 | C100 | O26 | 90.0° | 120.0° |
| H137 | C99 | H138 | 90.0° | 109.4° |
| O25 | C100 | O26 | 90.0° | 120.0° |
| C100 | O26 | H139 | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 170.4° | 179.7° |
| O1 | C1 | C2 | H1 | 168.7° | 141.0° |
| O1 | C1 | C2 | H2 | 55.0° | 99.1° |
| O1 | C1 | N1 | C3 | 5.1° | 1.1° |
| O1 | C1 | N1 | H3 | 174.9° | 179.1° |
| O1 | C1 | C2 | S1 | 68.1° | 20.8° |
| C1 | C2 | H1 | H2 | 108.7° | 119.8° |
| C1 | C2 | H1 | S1 | 142.6° | 120.1° |
| C1 | C2 | H2 | S1 | 142.6° | 119.9° |
| C2 | C1 | N1 | C3 | 175.0° | 178.6° |
| C2 | C1 | N1 | H3 | 5.0° | 1.3° |
| C1 | C2 | S1 | C98 | 79.3° | 156.6° |
| H1 | C2 | H2 | S1 | 108.7° | 120.1° |
| H1 | C2 | S1 | C98 | 43.8° | 83.3° |
| H1 | C2 | C1 | N1 | 20.9° | 38.7° |
| H2 | C2 | S1 | C98 | 157.5° | 36.8° |
| H2 | C2 | C1 | N1 | 134.6° | 81.3° |
| C3 | N1 | H3 | C1 | 180.0° | 179.8° |
| N1 | C3 | C4 | C13 | 119.0° | 120.0° |
| N1 | C3 | C4 | H4 | 120.0° | 120.1° |
| N1 | C3 | C13 | H4 | 120.2° | 120.1° |
| N1 | C3 | C4 | C5 | 87.3° | 65.0° |
| N1 | C3 | C4 | H5 | 152.9° | 175.0° |
| N1 | C3 | C4 | H6 | 32.6° | 55.0° |
| N1 | C3 | C13 | O2 | 143.0° | 13.3° |
| N1 | C3 | C13 | N3 | 36.1° | 166.5° |
| H3 | N1 | C3 | C4 | 111.6° | 89.2° |
| H3 | N1 | C3 | C13 | 128.3° | 30.6° |
| H3 | N1 | C3 | H4 | 8.2° | 150.7° |
| C4 | C3 | C13 | H4 | 120.8° | 120.0° |
| C3 | C4 | C5 | H5 | 119.8° | 120.0° |
| C3 | C4 | C5 | H6 | 119.8° | 120.0° |
| C3 | C4 | H5 | H6 | 120.4° | 120.0° |
| C3 | C4 | C5 | C6 | 127.0° | 95.0° |
| C3 | C4 | C5 | C12 | 53.5° | 84.7° |
| C4 | C3 | C13 | O2 | 24.1° | 106.6° |
| C4 | C3 | N1 | C1 | 68.5° | 90.6° |
| C4 | C3 | C13 | N3 | 155.0° | 73.6° |
| C13 | C3 | C4 | C5 | 153.7° | 175.0° |
| C13 | C3 | C4 | H5 | 33.9° | 55.0° |
| C13 | C3 | C4 | H6 | 86.4° | 65.0° |
| C3 | C13 | O2 | N3 | 179.0° | 179.8° |
| C3 | C13 | N3 | C14 | 174.6° | 177.5° |
| C3 | C13 | N3 | H13 | 5.4° | 2.6° |
| C13 | C3 | N1 | C1 | 51.7° | 149.5° |
| H4 | C3 | C4 | C5 | 32.7° | 55.1° |
| H4 | C3 | C4 | H5 | 87.1° | 64.9° |
| H4 | C3 | C4 | H6 | 152.6° | 175.1° |
| H4 | C3 | C13 | O2 | 96.8° | 133.4° |
| H4 | C3 | N1 | C1 | 171.8° | 29.5° |
| H4 | C3 | C13 | N3 | 84.1° | 46.4° |
| C5 | C4 | H5 | H6 | 120.5° | 120.0° |
| C4 | C5 | C6 | C12 | 179.6° | 179.7° |
| C4 | C5 | C6 | N2 | 179.7° | 180.0° |
| C4 | C5 | C6 | H7 | 0.2° | 0.1° |
| C4 | C5 | C12 | C7 | 179.7° | 179.9° |
| C4 | C5 | C12 | C11 | 0.3° | 0.7° |
| H5 | C4 | C5 | C6 | 113.2° | 145.0° |
| H5 | C4 | C5 | C12 | 66.4° | 35.3° |
| H6 | C4 | C5 | C6 | 7.2° | 25.0° |
| H6 | C4 | C5 | C12 | 173.3° | 155.3° |
| C5 | C6 | N2 | H7 | 180.0° | 179.9° |
| C5 | C6 | N2 | C7 | 0.1° | 0.0° |
| C5 | C6 | N2 | H8 | 179.9° | 180.0° |
| C6 | C5 | C12 | C7 | 0.1° | 0.4° |
| C6 | C5 | C12 | C11 | 179.9° | 179.5° |
| C12 | C5 | C6 | N2 | 0.1° | 0.3° |
| C12 | C5 | C6 | H7 | 179.9° | 179.8° |
| C5 | C12 | C7 | N2 | 0.0° | 0.4° |
| C5 | C12 | C7 | C8 | 179.9° | 179.9° |
| C5 | C12 | C7 | C11 | 180.0° | 179.3° |
| C5 | C12 | C11 | C10 | 179.9° | 179.7° |
| C5 | C12 | C11 | H12 | 0.1° | 0.7° |
| C6 | N2 | C7 | H8 | 180.0° | 180.0° |
| C6 | N2 | C7 | C8 | 180.0° | 179.9° |
| C6 | N2 | C7 | C12 | 0.0° | 0.2° |
| H7 | C6 | N2 | C7 | 179.9° | 180.0° |
| H7 | C6 | N2 | H8 | 0.1° | 0.1° |
| N2 | C7 | C8 | C12 | 180.0° | 179.7° |
| N2 | C7 | C8 | C9 | 180.0° | 180.0° |
| N2 | C7 | C8 | H9 | 0.0° | 0.0° |
| N2 | C7 | C12 | C11 | 179.9° | 179.6° |
| H8 | N2 | C7 | C8 | 0.0° | 0.0° |
| H8 | N2 | C7 | C12 | 180.0° | 179.7° |
| C7 | C8 | C9 | H9 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.0° |
| C7 | C8 | C9 | H10 | 179.9° | 180.0° |
| C8 | C7 | C12 | C11 | 0.1° | 0.6° |
| C12 | C7 | C8 | C9 | 0.1° | 0.3° |
| C12 | C7 | C8 | H9 | 179.9° | 179.7° |
| C7 | C12 | C11 | C10 | 0.1° | 0.6° |
| C7 | C12 | C11 | H12 | 179.9° | 179.8° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.1° |
| C8 | C9 | C10 | H11 | 179.9° | 180.0° |
| H9 | C8 | C9 | C10 | 179.9° | 180.0° |
| H9 | C8 | C9 | H10 | 0.1° | 0.0° |
| C9 | C10 | C11 | H11 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.1° | 0.4° |
| C9 | C10 | C11 | H12 | 179.9° | 180.0° |
| H10 | C9 | C10 | C11 | 179.9° | 179.9° |
| H10 | C9 | C10 | H11 | 0.1° | 0.0° |
| C10 | C11 | C12 | H12 | 180.0° | 179.6° |
| H11 | C10 | C11 | C12 | 179.9° | 179.7° |
| H11 | C10 | C11 | H12 | 0.1° | 0.1° |
| O2 | C13 | N3 | C14 | 6.3° | 2.7° |
| O2 | C13 | N3 | H13 | 173.6° | 177.3° |
| C14 | N3 | H13 | C13 | 180.0° | 180.0° |
| N3 | C14 | C15 | C16 | 122.8° | 120.0° |
| N3 | C14 | C15 | H14 | 119.3° | 120.2° |
| N3 | C14 | C16 | H14 | 118.9° | 120.1° |
| N3 | C14 | C15 | O3 | 135.9° | 61.3° |
| N3 | C14 | C16 | C17 | 149.7° | 65.0° |
| N3 | C14 | C16 | H15 | 28.6° | 55.0° |
| N3 | C14 | C16 | H16 | 89.3° | 175.0° |
| N3 | C14 | C15 | N4 | 43.2° | 119.0° |
| H13 | N3 | C14 | C15 | 104.8° | 30.0° |
| H13 | N3 | C14 | C16 | 18.2° | 89.9° |
| H13 | N3 | C14 | H14 | 136.5° | 150.0° |
| C15 | C14 | C16 | H14 | 118.0° | 119.8° |
| C14 | C15 | O3 | N4 | 179.0° | 179.7° |
| C15 | C14 | C16 | C17 | 87.2° | 174.9° |
| C15 | C14 | C16 | H15 | 151.7° | 65.1° |
| C15 | C14 | C16 | H16 | 33.8° | 55.0° |
| C14 | C15 | N4 | C20 | 178.7° | 178.9° |
| C14 | C15 | N4 | H24 | 1.3° | 1.0° |
| C15 | C14 | N3 | C13 | 75.2° | 150.0° |
| C16 | C14 | C15 | O3 | 101.4° | 58.7° |
| C14 | C16 | C17 | H15 | 121.0° | 120.0° |
| C14 | C16 | C17 | H16 | 121.0° | 120.0° |
| C14 | C16 | H15 | H16 | 116.7° | 120.0° |
| C14 | C16 | C17 | C18 | 55.1° | 175.0° |
| C14 | C16 | C17 | C19 | 178.1° | 65.0° |
| C14 | C16 | C17 | H17 | 63.8° | 55.0° |
| C16 | C14 | N3 | C13 | 161.9° | 90.1° |
| C16 | C14 | C15 | N4 | 79.6° | 121.0° |
| H14 | C14 | C15 | O3 | 16.5° | 178.6° |
| H14 | C14 | C16 | C17 | 30.7° | 55.1° |
| H14 | C14 | C16 | H15 | 90.3° | 175.1° |
| H14 | C14 | C16 | H16 | 151.8° | 64.8° |
| H14 | C14 | N3 | C13 | 43.6° | 29.9° |
| H14 | C14 | C15 | N4 | 162.5° | 1.1° |
| O3 | C15 | N4 | C20 | 0.4° | 1.4° |
| O3 | C15 | N4 | H24 | 179.6° | 178.7° |
| C17 | C16 | H15 | H16 | 116.7° | 120.0° |
| C16 | C17 | C18 | C19 | 122.6° | 120.0° |
| C16 | C17 | C18 | H17 | 118.8° | 120.0° |
| C16 | C17 | C19 | H17 | 118.1° | 120.1° |
| C16 | C17 | C18 | H18 | 180.0° | 60.0° |
| C16 | C17 | C18 | H19 | 60.0° | 180.0° |
| C16 | C17 | C18 | H20 | 60.0° | 60.0° |
| C16 | C17 | C19 | H21 | 180.0° | 180.0° |
| C16 | C17 | C19 | H22 | 60.0° | 59.9° |
| C16 | C17 | C19 | H23 | 60.0° | 60.0° |
| H15 | C16 | C17 | C18 | 65.9° | 55.0° |
| H15 | C16 | C17 | C19 | 57.1° | 175.0° |
| H15 | C16 | C17 | H17 | 175.2° | 65.0° |
| H16 | C16 | C17 | C18 | 176.2° | 65.0° |
| H16 | C16 | C17 | C19 | 60.8° | 54.9° |
| H16 | C16 | C17 | H17 | 57.3° | 175.0° |
| C18 | C17 | C19 | H17 | 118.5° | 119.9° |
| C17 | C18 | H18 | H19 | 120.0° | 120.1° |
| C17 | C18 | H18 | H20 | 120.0° | 120.0° |
| C17 | C18 | H19 | H20 | 120.0° | 120.0° |
| C18 | C17 | C19 | H21 | 56.6° | 60.0° |
| C18 | C17 | C19 | H22 | 63.4° | 60.1° |
| C18 | C17 | C19 | H23 | 176.6° | 180.0° |
| C19 | C17 | C18 | H18 | 57.3° | 60.0° |
| C19 | C17 | C18 | H19 | 177.3° | 60.0° |
| C19 | C17 | C18 | H20 | 62.7° | 180.0° |
| C17 | C19 | H21 | H22 | 120.0° | 120.0° |
| C17 | C19 | H21 | H23 | 120.0° | 119.9° |
| C17 | C19 | H22 | H23 | 120.0° | 120.0° |
| H17 | C17 | C18 | H18 | 61.2° | 180.0° |
| H17 | C17 | C18 | H19 | 58.8° | 60.0° |
| H17 | C17 | C18 | H20 | 178.8° | 60.0° |
| H17 | C17 | C19 | H21 | 61.9° | 59.9° |
| H17 | C17 | C19 | H22 | 178.0° | 180.0° |
| H17 | C17 | C19 | H23 | 58.1° | 60.0° |
| H18 | C18 | H19 | H20 | 119.9° | 120.0° |
| H21 | C19 | H22 | H23 | 120.0° | 120.0° |
| C20 | N4 | H24 | C15 | 180.0° | 179.9° |
| N4 | C20 | C21 | C22 | 124.6° | 119.9° |
| N4 | C20 | C21 | H25 | 118.6° | 120.2° |
| N4 | C20 | C22 | H25 | 118.0° | 120.3° |
| N4 | C20 | C21 | O4 | 151.8° | 4.1° |
| N4 | C20 | C22 | C23 | 84.2° | 56.5° |
| N4 | C20 | C22 | H26 | 36.3° | 176.5° |
| N4 | C20 | C22 | H27 | 155.3° | 63.5° |
| N4 | C20 | C21 | N5 | 27.2° | 175.8° |
| H24 | N4 | C20 | C21 | 126.6° | 24.2° |
| H24 | N4 | C20 | C22 | 2.3° | 95.6° |
| H24 | N4 | C20 | H25 | 115.2° | 144.2° |
| C21 | C20 | C22 | H25 | 116.8° | 119.8° |
| C20 | C21 | O4 | N5 | 178.9° | 179.9° |
| C21 | C20 | C22 | C23 | 150.6° | 63.4° |
| C21 | C20 | C22 | H26 | 88.9° | 56.6° |
| C21 | C20 | C22 | H27 | 30.1° | 176.6° |
| C20 | C21 | N5 | C24 | 176.9° | 177.9° |
| C20 | C21 | N5 | H29 | 3.1° | 2.4° |
| C21 | C20 | N4 | C15 | 53.4° | 155.9° |
| C22 | C20 | C21 | O4 | 83.7° | 115.7° |
| C20 | C22 | C23 | H26 | 120.5° | 120.0° |
| C20 | C22 | C23 | H27 | 120.5° | 120.0° |
| C20 | C22 | H26 | H27 | 118.5° | 120.0° |
| C20 | C22 | C23 | O5 | 119.3° | 3.9° |
| C20 | C22 | C23 | O6 | 60.8° | 176.1° |
| C22 | C20 | N4 | C15 | 177.8° | 84.3° |
| C22 | C20 | C21 | N5 | 97.4° | 64.4° |
| H25 | C20 | C21 | O4 | 33.1° | 124.3° |
| H25 | C20 | C22 | C23 | 33.8° | 176.8° |
| H25 | C20 | C22 | H26 | 154.3° | 63.2° |
| H25 | C20 | C22 | H27 | 86.7° | 56.8° |
| H25 | C20 | N4 | C15 | 64.8° | 35.9° |
| H25 | C20 | C21 | N5 | 145.8° | 55.6° |
| O4 | C21 | N5 | C24 | 2.0° | 2.2° |
| O4 | C21 | N5 | H29 | 178.0° | 177.5° |
| C23 | C22 | H26 | H27 | 118.5° | 120.0° |
| C22 | C23 | O5 | O6 | 179.9° | 180.0° |
| C22 | C23 | O6 | H28 | 179.8° | 180.0° |
| H26 | C22 | C23 | O5 | 1.1° | 116.1° |
| H26 | C22 | C23 | O6 | 178.7° | 63.9° |
| H27 | C22 | C23 | O5 | 120.1° | 123.9° |
| H27 | C22 | C23 | O6 | 59.7° | 56.1° |
| O5 | C23 | O6 | H28 | 0.0° | 0.0° |
| C24 | N5 | H29 | C21 | 180.0° | 179.6° |
| N5 | C24 | C25 | C26 | 123.6° | 119.9° |
| N5 | C24 | C25 | H30 | 119.8° | 120.0° |
| N5 | C24 | C26 | H30 | 118.0° | 120.6° |
| N5 | C24 | C25 | O7 | 121.8° | 57.8° |
| N5 | C24 | C26 | C27 | 61.6° | 65.0° |
| N5 | C24 | C26 | H31 | 59.0° | 55.0° |
| N5 | C24 | C26 | H32 | 177.7° | 175.0° |
| N5 | C24 | C25 | N7 | 58.3° | 122.6° |
| H29 | N5 | C24 | C25 | 118.1° | 37.9° |
| H29 | N5 | C24 | C26 | 5.2° | 82.0° |
| H29 | N5 | C24 | H30 | 122.6° | 157.6° |
| C25 | C24 | C26 | H30 | 116.6° | 119.9° |
| C24 | C25 | O7 | N7 | 179.8° | 179.6° |
| C25 | C24 | C26 | C27 | 173.0° | 175.6° |
| C25 | C24 | C26 | H31 | 66.3° | 64.4° |
| C25 | C24 | C26 | H32 | 52.4° | 55.6° |
| C24 | C25 | N7 | C29 | 172.5° | 178.3° |
| C24 | C25 | N7 | H37 | 7.5° | 1.7° |
| C25 | C24 | N5 | C21 | 61.9° | 142.5° |
| C26 | C24 | C25 | O7 | 114.5° | 62.1° |
| C24 | C26 | C27 | H31 | 120.7° | 120.0° |
| C24 | C26 | C27 | H32 | 120.6° | 120.0° |
| C24 | C26 | H31 | H32 | 118.0° | 120.0° |
| C24 | C26 | C27 | C28 | 76.3° | 180.0° |
| C24 | C26 | C27 | H33 | 44.2° | 60.0° |
| C24 | C26 | C27 | H34 | 163.3° | 60.0° |
| C26 | C24 | N5 | C21 | 174.8° | 97.7° |
| C26 | C24 | C25 | N7 | 65.3° | 117.5° |
| H30 | C24 | C25 | O7 | 2.1° | 177.8° |
| H30 | C24 | C26 | C27 | 56.4° | 55.7° |
| H30 | C24 | C26 | H31 | 177.1° | 175.6° |
| H30 | C24 | C26 | H32 | 64.2° | 64.3° |
| H30 | C24 | N5 | C21 | 57.4° | 22.7° |
| H30 | C24 | C25 | N7 | 178.1° | 2.5° |
| O7 | C25 | N7 | C29 | 7.3° | 2.1° |
| O7 | C25 | N7 | H37 | 172.7° | 178.0° |
| C27 | C26 | H31 | H32 | 118.0° | 120.0° |
| C26 | C27 | C28 | H33 | 120.5° | 120.0° |
| C26 | C27 | C28 | H34 | 120.5° | 120.0° |
| C26 | C27 | H33 | H34 | 118.6° | 120.0° |
| C26 | C27 | C28 | O8 | 77.6° | 0.0° |
| C26 | C27 | C28 | N6 | 102.6° | 180.0° |
| H31 | C26 | C27 | C28 | 163.1° | 60.0° |
| H31 | C26 | C27 | H33 | 76.5° | 180.0° |
| H31 | C26 | C27 | H34 | 42.6° | 60.0° |
| H32 | C26 | C27 | C28 | 44.4° | 60.0° |
| H32 | C26 | C27 | H33 | 164.8° | 60.0° |
| H32 | C26 | C27 | H34 | 76.1° | 180.0° |
| C28 | C27 | H33 | H34 | 118.6° | 120.0° |
| C27 | C28 | O8 | N6 | 179.7° | 180.0° |
| C27 | C28 | N6 | H35 | 179.8° | 0.0° |
| C27 | C28 | N6 | H36 | 0.2° | 180.0° |
| H33 | C27 | C28 | O8 | 161.9° | 120.0° |
| H33 | C27 | C28 | N6 | 17.9° | 60.0° |
| H34 | C27 | C28 | O8 | 42.8° | 120.0° |
| H34 | C27 | C28 | N6 | 136.9° | 60.0° |
| O8 | C28 | N6 | H35 | 0.0° | 180.0° |
| O8 | C28 | N6 | H36 | 180.0° | 0.0° |
| C28 | N6 | H35 | H36 | 180.0° | 180.0° |
| C29 | N7 | H37 | C25 | 180.0° | 179.9° |
| N7 | C29 | C30 | C31 | 125.6° | 119.6° |
| N7 | C29 | C30 | H38 | 118.7° | 120.2° |
| N7 | C29 | C31 | H38 | 117.8° | 121.0° |
| N7 | C29 | C30 | O9 | 162.9° | 3.6° |
| N7 | C29 | C31 | C32 | 65.3° | 54.1° |
| N7 | C29 | C31 | C33 | 58.7° | 65.9° |
| N7 | C29 | C31 | H39 | 176.7° | 174.1° |
| N7 | C29 | C30 | N8 | 17.1° | 176.3° |
| H37 | N7 | C29 | C30 | 85.6° | 24.4° |
| H37 | N7 | C29 | C31 | 38.8° | 95.0° |
| H37 | N7 | C29 | H38 | 156.1° | 144.1° |
| C30 | C29 | C31 | H38 | 115.8° | 120.0° |
| C29 | C30 | O9 | N8 | 179.9° | 179.9° |
| C30 | C29 | C31 | C32 | 61.1° | 64.8° |
| C30 | C29 | C31 | C33 | 174.8° | 175.2° |
| C30 | C29 | C31 | H39 | 56.9° | 55.2° |
| C29 | C30 | N8 | C35 | 179.5° | 177.9° |
| C29 | C30 | N8 | H48 | 0.5° | 2.3° |
| C30 | C29 | N7 | C25 | 94.4° | 155.7° |
| C31 | C29 | C30 | O9 | 71.5° | 116.0° |
| C29 | C31 | C32 | C33 | 123.0° | 119.9° |
| C29 | C31 | C32 | H39 | 117.9° | 120.0° |
| C29 | C31 | C33 | H39 | 117.8° | 120.0° |
| C29 | C31 | C32 | C34 | 167.8° | 176.8° |
| C29 | C31 | C32 | H40 | 47.2° | 63.2° |
| C29 | C31 | C32 | H41 | 71.6° | 56.9° |
| C29 | C31 | C33 | H42 | 180.0° | 173.7° |
| C29 | C31 | C33 | H43 | 60.0° | 53.7° |
| C29 | C31 | C33 | H44 | 60.0° | 66.3° |
| C31 | C29 | N7 | C25 | 141.2° | 84.9° |
| C31 | C29 | C30 | N8 | 108.5° | 64.1° |
| H38 | C29 | C30 | O9 | 44.2° | 123.8° |
| H38 | C29 | C31 | C32 | 176.9° | 175.1° |
| H38 | C29 | C31 | C33 | 59.1° | 55.1° |
| H38 | C29 | C31 | H39 | 58.9° | 64.8° |
| H38 | C29 | N7 | C25 | 23.9° | 35.9° |
| H38 | C29 | C30 | N8 | 135.8° | 56.1° |
| O9 | C30 | N8 | C35 | 0.4° | 2.2° |
| O9 | C30 | N8 | H48 | 179.6° | 177.6° |
| C32 | C31 | C33 | H39 | 119.0° | 120.1° |
| C31 | C32 | C34 | H40 | 120.6° | 120.0° |
| C31 | C32 | C34 | H41 | 120.6° | 120.0° |
| C31 | C32 | H40 | H41 | 118.2° | 120.0° |
| C32 | C31 | C33 | H42 | 56.9° | 66.4° |
| C32 | C31 | C33 | H43 | 176.8° | 173.7° |
| C32 | C31 | C33 | H44 | 63.2° | 53.6° |
| C31 | C32 | C34 | H45 | 180.0° | 60.0° |
| C31 | C32 | C34 | H46 | 60.0° | 60.0° |
| C31 | C32 | C34 | H47 | 60.0° | 180.0° |
| C33 | C31 | C32 | C34 | 44.9° | 63.3° |
| C33 | C31 | C32 | H40 | 75.7° | 56.7° |
| C33 | C31 | C32 | H41 | 165.5° | 176.8° |
| C31 | C33 | H42 | H43 | 120.0° | 120.0° |
| C31 | C33 | H42 | H44 | 120.0° | 120.0° |
| C31 | C33 | H43 | H44 | 120.0° | 120.1° |
| H39 | C31 | C32 | C34 | 74.2° | 56.8° |
| H39 | C31 | C32 | H40 | 165.2° | 176.8° |
| H39 | C31 | C32 | H41 | 46.4° | 63.2° |
| H39 | C31 | C33 | H42 | 62.2° | 53.7° |
| H39 | C31 | C33 | H43 | 57.8° | 66.2° |
| H39 | C31 | C33 | H44 | 177.8° | 173.7° |
| C34 | C32 | H40 | H41 | 118.2° | 120.0° |
| C32 | C34 | H45 | H46 | 120.0° | 120.0° |
| C32 | C34 | H45 | H47 | 120.0° | 120.0° |
| C32 | C34 | H46 | H47 | 120.0° | 120.1° |
| H40 | C32 | C34 | H45 | 59.4° | 180.0° |
| H40 | C32 | C34 | H46 | 179.4° | 60.0° |
| H40 | C32 | C34 | H47 | 60.6° | 60.0° |
| H41 | C32 | C34 | H45 | 59.4° | 60.0° |
| H41 | C32 | C34 | H46 | 60.6° | 180.0° |
| H41 | C32 | C34 | H47 | 179.4° | 60.0° |
| H42 | C33 | H43 | H44 | 120.0° | 119.9° |
| H45 | C34 | H46 | H47 | 120.0° | 119.9° |
| C35 | N8 | H48 | C30 | 180.0° | 179.8° |
| N8 | C35 | C36 | C37 | 123.2° | 119.8° |
| N8 | C35 | C36 | H49 | 118.4° | 120.0° |
| N8 | C35 | C37 | H49 | 119.7° | 121.3° |
| N8 | C35 | C36 | O10 | 68.2° | 54.0° |
| N8 | C35 | C37 | C38 | 179.1° | 180.0° |
| N8 | C35 | C37 | C39 | 57.5° | 60.0° |
| N8 | C35 | C37 | H50 | 60.7° | 60.0° |
| N8 | C35 | C36 | N9 | 111.7° | 126.1° |
| H48 | N8 | C35 | C36 | 65.5° | 38.5° |
| H48 | N8 | C35 | C37 | 57.7° | 81.1° |
| H48 | N8 | C35 | H49 | 176.7° | 158.0° |
| C36 | C35 | C37 | H49 | 118.5° | 120.0° |
| C35 | C36 | O10 | N9 | 179.8° | 179.8° |
| C36 | C35 | C37 | C38 | 57.3° | 61.3° |
| C36 | C35 | C37 | C39 | 179.3° | 178.7° |
| C36 | C35 | C37 | H50 | 61.2° | 58.7° |
| C35 | C36 | N9 | C40 | 175.6° | 177.0° |
| C35 | C36 | N9 | H57 | 4.3° | 2.9° |
| C36 | C35 | N8 | C30 | 114.5° | 141.7° |
| C37 | C35 | C36 | O10 | 55.1° | 65.7° |
| C35 | C37 | C38 | C39 | 123.3° | 120.0° |
| C35 | C37 | C38 | H50 | 118.3° | 120.0° |
| C35 | C37 | C39 | H50 | 118.0° | 120.0° |
| C35 | C37 | C38 | H51 | 180.0° | 60.0° |
| C35 | C37 | C38 | H52 | 60.0° | 179.9° |
| C35 | C37 | C38 | H53 | 60.0° | 60.0° |
| C35 | C37 | C39 | H54 | 180.0° | 60.0° |
| C35 | C37 | C39 | H55 | 60.0° | 180.0° |
| C35 | C37 | C39 | H56 | 60.0° | 60.0° |
| C37 | C35 | N8 | C30 | 122.3° | 98.7° |
| C37 | C35 | C36 | N9 | 125.1° | 114.1° |
| H49 | C35 | C36 | O10 | 173.4° | 174.1° |
| H49 | C35 | C37 | C38 | 61.2° | 58.7° |
| H49 | C35 | C37 | C39 | 62.2° | 61.3° |
| H49 | C35 | C37 | H50 | 179.6° | 178.7° |
| H49 | C35 | N8 | C30 | 3.3° | 22.2° |
| H49 | C35 | C36 | N9 | 6.8° | 6.1° |
| O10 | C36 | N9 | C40 | 4.2° | 3.2° |
| O10 | C36 | N9 | H57 | 175.8° | 176.9° |
| C38 | C37 | C39 | H50 | 118.4° | 120.1° |
| C37 | C38 | H51 | H52 | 120.0° | 119.9° |
| C37 | C38 | H51 | H53 | 120.0° | 120.0° |
| C37 | C38 | H52 | H53 | 120.0° | 120.0° |
| C38 | C37 | C39 | H54 | 56.4° | 180.0° |
| C38 | C37 | C39 | H55 | 63.6° | 60.0° |
| C38 | C37 | C39 | H56 | 176.4° | 59.9° |
| C39 | C37 | C38 | H51 | 56.7° | 59.9° |
| C39 | C37 | C38 | H52 | 176.7° | 60.0° |
| C39 | C37 | C38 | H53 | 63.4° | 179.9° |
| C37 | C39 | H54 | H55 | 120.0° | 119.9° |
| C37 | C39 | H54 | H56 | 120.0° | 120.0° |
| C37 | C39 | H55 | H56 | 120.0° | 120.0° |
| H50 | C37 | C38 | H51 | 61.7° | 180.0° |
| H50 | C37 | C38 | H52 | 58.3° | 60.1° |
| H50 | C37 | C38 | H53 | 178.3° | 60.0° |
| H50 | C37 | C39 | H54 | 62.0° | 59.9° |
| H50 | C37 | C39 | H55 | 178.0° | 60.0° |
| H50 | C37 | C39 | H56 | 58.0° | 180.0° |
| H51 | C38 | H52 | H53 | 120.0° | 120.0° |
| H54 | C39 | H55 | H56 | 120.0° | 120.0° |
| C40 | N9 | H57 | C36 | 180.0° | 179.9° |
| N9 | C40 | C41 | C42 | 123.1° | 119.5° |
| N9 | C40 | C41 | H58 | 118.9° | 120.2° |
| N9 | C40 | C42 | H58 | 119.4° | 121.1° |
| N9 | C40 | C41 | O11 | 9.8° | 1.8° |
| N9 | C40 | C42 | C43 | 41.3° | 169.8° |
| N9 | C40 | C42 | H59 | 162.1° | 49.8° |
| N9 | C40 | C42 | H60 | 79.5° | 70.2° |
| N9 | C40 | C41 | N11 | 170.0° | 178.2° |
| H57 | N9 | C40 | C41 | 16.5° | 22.8° |
| H57 | N9 | C40 | C42 | 105.9° | 96.5° |
| H57 | N9 | C40 | H58 | 135.1° | 142.6° |
| C41 | C40 | C42 | H58 | 118.2° | 120.1° |
| C40 | C41 | O11 | N11 | 179.8° | 180.0° |
| C41 | C40 | C42 | C43 | 81.1° | 71.4° |
| C41 | C40 | C42 | H59 | 39.7° | 168.6° |
| C41 | C40 | C42 | H60 | 158.2° | 48.5° |
| C40 | C41 | N11 | C51 | 177.2° | 177.7° |
| C40 | C41 | N11 | H67 | 2.8° | 2.4° |
| C41 | C40 | N9 | C36 | 163.6° | 157.3° |
| C42 | C40 | C41 | O11 | 113.4° | 121.4° |
| C40 | C42 | C43 | H59 | 120.8° | 120.0° |
| C40 | C42 | C43 | H60 | 120.8° | 119.9° |
| C40 | C42 | H59 | H60 | 117.6° | 120.0° |
| C40 | C42 | C43 | C44 | 93.3° | 108.7° |
| C40 | C42 | C43 | C45 | 87.6° | 71.0° |
| C42 | C40 | N9 | C36 | 74.0° | 83.4° |
| C42 | C40 | C41 | N11 | 66.8° | 58.7° |
| H58 | C40 | C41 | O11 | 128.6° | 118.3° |
| H58 | C40 | C42 | C43 | 160.7° | 48.7° |
| H58 | C40 | C42 | H59 | 78.5° | 71.3° |
| H58 | C40 | C42 | H60 | 39.9° | 168.7° |
| H58 | C40 | N9 | C36 | 44.9° | 37.5° |
| H58 | C40 | C41 | N11 | 51.1° | 61.6° |
| O11 | C41 | N11 | C51 | 2.6° | 2.4° |
| O11 | C41 | N11 | H67 | 177.4° | 177.6° |
| C43 | C42 | H59 | H60 | 117.6° | 120.1° |
| C42 | C43 | C44 | C45 | 179.3° | 179.7° |
| C42 | C43 | C44 | N10 | 179.7° | 180.0° |
| C42 | C43 | C44 | H61 | 0.3° | 0.0° |
| C42 | C43 | C45 | C46 | 179.7° | 180.0° |
| C42 | C43 | C45 | C47 | 1.3° | 0.0° |
| H59 | C42 | C43 | C44 | 145.9° | 131.3° |
| H59 | C42 | C43 | C45 | 33.2° | 49.0° |
| H60 | C42 | C43 | C44 | 27.5° | 11.2° |
| H60 | C42 | C43 | C45 | 151.6° | 169.1° |
| C43 | C44 | N10 | H61 | 180.0° | 179.9° |
| C44 | C43 | C45 | C46 | 0.5° | 0.3° |
| C44 | C43 | C45 | C47 | 179.4° | 179.8° |
| C43 | C44 | N10 | C46 | 0.2° | 0.2° |
| C43 | C44 | N10 | H62 | 179.8° | 180.0° |
| C45 | C43 | C44 | N10 | 0.4° | 0.3° |
| C45 | C43 | C44 | H61 | 179.6° | 179.8° |
| C43 | C45 | C46 | C47 | 179.1° | 179.9° |
| C43 | C45 | C46 | N10 | 0.4° | 0.2° |
| C43 | C45 | C46 | C48 | 179.6° | 180.0° |
| C43 | C45 | C47 | C49 | 179.0° | 180.0° |
| C43 | C45 | C47 | H63 | 0.9° | 0.1° |
| C44 | N10 | C46 | C45 | 0.1° | 0.0° |
| C44 | N10 | C46 | H62 | 180.0° | 179.8° |
| C44 | N10 | C46 | C48 | 179.8° | 179.8° |
| H61 | C44 | N10 | C46 | 179.8° | 179.9° |
| H61 | C44 | N10 | H62 | 0.2° | 0.1° |
| C45 | C46 | N10 | C48 | 179.9° | 179.8° |
| C45 | C46 | N10 | H62 | 179.9° | 179.8° |
| C46 | C45 | C47 | C49 | 0.2° | 0.1° |
| C46 | C45 | C47 | H63 | 179.8° | 180.0° |
| C45 | C46 | C48 | C50 | 0.3° | 0.0° |
| C45 | C46 | C48 | H64 | 179.7° | 180.0° |
| C47 | C45 | C46 | N10 | 179.5° | 179.9° |
| C47 | C45 | C46 | C48 | 0.4° | 0.1° |
| C45 | C47 | C49 | H63 | 180.0° | 179.9° |
| C45 | C47 | C49 | C50 | 0.1° | 0.0° |
| C45 | C47 | C49 | H65 | 179.9° | 180.0° |
| N10 | C46 | C48 | C50 | 179.6° | 179.8° |
| N10 | C46 | C48 | H64 | 0.4° | 0.3° |
| H62 | N10 | C46 | C48 | 0.2° | 0.0° |
| C46 | C48 | C50 | H64 | 180.0° | 179.9° |
| C46 | C48 | C50 | C49 | 0.0° | 0.0° |
| C46 | C48 | C50 | H66 | 180.0° | 180.0° |
| C47 | C49 | C50 | C48 | 0.2° | 0.1° |
| C47 | C49 | C50 | H65 | 180.0° | 180.0° |
| C47 | C49 | C50 | H66 | 179.8° | 180.0° |
| H63 | C47 | C49 | C50 | 180.0° | 179.9° |
| H63 | C47 | C49 | H65 | 0.1° | 0.1° |
| C48 | C50 | C49 | H66 | 180.0° | 180.0° |
| C48 | C50 | C49 | H65 | 179.8° | 180.0° |
| H64 | C48 | C50 | C49 | 180.0° | 179.9° |
| H64 | C48 | C50 | H66 | 0.0° | 0.1° |
| H65 | C49 | C50 | H66 | 0.2° | 0.0° |
| C51 | N11 | H67 | C41 | 180.0° | 179.9° |
| N11 | C51 | C52 | C53 | 123.0° | 119.2° |
| N11 | C51 | C52 | H68 | 119.2° | 120.5° |
| N11 | C51 | C53 | H68 | 118.7° | 121.3° |
| N11 | C51 | C52 | O12 | 126.7° | 14.2° |
| N11 | C51 | C53 | C54 | 164.9° | 65.0° |
| N11 | C51 | C53 | H69 | 44.2° | 55.0° |
| N11 | C51 | C53 | H70 | 74.4° | 175.0° |
| N11 | C51 | C52 | N12 | 53.0° | 166.0° |
| H67 | N11 | C51 | C52 | 83.4° | 66.3° |
| H67 | N11 | C51 | C53 | 39.9° | 52.8° |
| H67 | N11 | C51 | H68 | 158.0° | 173.7° |
| C52 | C51 | C53 | H68 | 117.8° | 120.3° |
| C51 | C52 | O12 | N12 | 179.7° | 179.8° |
| C52 | C51 | C53 | C54 | 71.6° | 176.6° |
| C52 | C51 | C53 | H69 | 167.7° | 63.4° |
| C52 | C51 | C53 | H70 | 49.1° | 56.6° |
| C51 | C52 | N12 | C60 | 178.8° | 176.8° |
| C51 | C52 | N12 | H76 | 1.2° | 3.4° |
| C52 | C51 | N11 | C41 | 96.6° | 113.7° |
| C53 | C51 | C52 | O12 | 110.3° | 105.0° |
| C51 | C53 | C54 | H69 | 120.7° | 120.0° |
| C51 | C53 | C54 | H70 | 120.7° | 120.0° |
| C51 | C53 | H69 | H70 | 117.9° | 120.0° |
| C51 | C53 | C54 | C55 | 87.4° | 90.0° |
| C51 | C53 | C54 | C56 | 93.3° | 90.3° |
| C53 | C51 | N11 | C41 | 140.1° | 127.1° |
| C53 | C51 | C52 | N12 | 70.0° | 74.8° |
| H68 | C51 | C52 | O12 | 7.5° | 134.7° |
| H68 | C51 | C53 | C54 | 46.2° | 56.3° |
| H68 | C51 | C53 | H69 | 74.5° | 176.3° |
| H68 | C51 | C53 | H70 | 166.9° | 63.7° |
| H68 | C51 | N11 | C41 | 22.0° | 6.2° |
| H68 | C51 | C52 | N12 | 172.2° | 45.5° |
| O12 | C52 | N12 | C60 | 1.5° | 3.5° |
| O12 | C52 | N12 | H76 | 178.5° | 176.4° |
| C54 | C53 | H69 | H70 | 117.8° | 120.0° |
| C53 | C54 | C55 | C56 | 179.3° | 179.7° |
| C53 | C54 | C55 | C57 | 179.6° | 180.0° |
| C53 | C54 | C55 | H71 | 0.4° | 0.1° |
| C53 | C54 | C56 | C58 | 179.5° | 180.0° |
| C53 | C54 | C56 | H72 | 0.6° | 0.0° |
| H69 | C53 | C54 | C55 | 151.9° | 30.0° |
| H69 | C53 | C54 | C56 | 27.4° | 149.7° |
| H70 | C53 | C54 | C55 | 33.3° | 150.0° |
| H70 | C53 | C54 | C56 | 146.0° | 29.7° |
| C54 | C55 | C57 | H71 | 180.0° | 179.9° |
| C55 | C54 | C56 | C58 | 0.2° | 0.3° |
| C55 | C54 | C56 | H72 | 179.8° | 179.7° |
| C54 | C55 | C57 | C59 | 0.2° | 0.1° |
| C54 | C55 | C57 | H73 | 179.8° | 179.9° |
| C56 | C54 | C55 | C57 | 0.3° | 0.3° |
| C56 | C54 | C55 | H71 | 179.7° | 179.8° |
| C54 | C56 | C58 | H72 | 180.0° | 179.9° |
| C54 | C56 | C58 | C59 | 0.1° | 0.0° |
| C54 | C56 | C58 | H74 | 179.9° | 180.0° |
| C55 | C57 | C59 | H73 | 180.0° | 180.0° |
| C55 | C57 | C59 | C58 | 0.1° | 0.2° |
| C55 | C57 | C59 | H75 | 179.9° | 180.0° |
| H71 | C55 | C57 | C59 | 179.8° | 180.0° |
| H71 | C55 | C57 | H73 | 0.2° | 0.0° |
| C56 | C58 | C59 | C57 | 0.3° | 0.2° |
| C56 | C58 | C59 | H74 | 180.0° | 180.0° |
| C56 | C58 | C59 | H75 | 179.8° | 179.9° |
| H72 | C56 | C58 | C59 | 179.9° | 179.9° |
| H72 | C56 | C58 | H74 | 0.1° | 0.0° |
| C57 | C59 | C58 | H75 | 180.0° | 179.8° |
| C57 | C59 | C58 | H74 | 179.8° | 179.7° |
| H73 | C57 | C59 | C58 | 179.9° | 179.8° |
| H73 | C57 | C59 | H75 | 0.1° | 0.0° |
| H74 | C58 | C59 | H75 | 0.2° | 0.1° |
| C60 | N12 | H76 | C52 | 180.0° | 179.9° |
| N12 | C60 | C61 | C62 | 126.8° | 120.2° |
| N12 | C60 | C61 | H77 | 118.3° | 120.4° |
| N12 | C60 | C62 | H77 | 115.9° | 119.9° |
| N12 | C60 | C61 | O13 | 146.6° | 2.6° |
| N12 | C60 | C62 | C63 | 63.6° | 65.0° |
| N12 | C60 | C62 | H78 | 56.9° | 55.0° |
| N12 | C60 | C62 | H79 | 175.9° | 175.0° |
| N12 | C60 | C61 | N14 | 33.2° | 177.7° |
| H76 | N12 | C60 | C61 | 59.0° | 38.5° |
| H76 | N12 | C60 | C62 | 67.6° | 81.8° |
| H76 | N12 | C60 | H77 | 176.9° | 158.5° |
| C61 | C60 | C62 | H77 | 114.9° | 119.1° |
| C60 | C61 | O13 | N14 | 179.8° | 179.7° |
| C61 | C60 | C62 | C63 | 167.2° | 173.9° |
| C61 | C60 | C62 | H78 | 72.3° | 66.0° |
| C61 | C60 | C62 | H79 | 46.7° | 54.0° |
| C60 | C61 | N14 | C64 | 174.9° | 173.9° |
| C60 | C61 | N14 | H82 | 5.1° | 5.8° |
| C61 | C60 | N12 | C52 | 121.0° | 141.4° |
| C62 | C60 | C61 | O13 | 86.6° | 117.6° |
| C60 | C62 | C63 | H78 | 120.5° | 120.1° |
| C60 | C62 | C63 | H79 | 120.5° | 119.9° |
| C60 | C62 | H78 | H79 | 118.5° | 120.0° |
| C60 | C62 | C63 | O14 | 44.5° | 0.0° |
| C60 | C62 | C63 | N13 | 135.9° | 180.0° |
| C62 | C60 | N12 | C52 | 112.4° | 98.4° |
| C62 | C60 | C61 | N14 | 93.6° | 62.1° |
| H77 | C60 | C61 | O13 | 28.4° | 123.1° |
| H77 | C60 | C62 | C63 | 52.2° | 54.9° |
| H77 | C60 | C62 | H78 | 172.8° | 174.9° |
| H77 | C60 | C62 | H79 | 68.2° | 65.1° |
| H77 | C60 | N12 | C52 | 3.1° | 21.4° |
| H77 | C60 | C61 | N14 | 151.5° | 57.2° |
| O13 | C61 | N14 | C64 | 4.9° | 6.4° |
| O13 | C61 | N14 | H82 | 175.1° | 173.9° |
| C63 | C62 | H78 | H79 | 118.5° | 120.0° |
| C62 | C63 | O14 | N13 | 179.6° | 180.0° |
| C62 | C63 | N13 | H80 | 179.6° | 0.1° |
| C62 | C63 | N13 | H81 | 0.4° | 180.0° |
| H78 | C62 | C63 | O14 | 165.0° | 120.1° |
| H78 | C62 | C63 | N13 | 15.4° | 59.9° |
| H79 | C62 | C63 | O14 | 76.0° | 119.9° |
| H79 | C62 | C63 | N13 | 103.6° | 60.1° |
| O14 | C63 | N13 | H80 | 0.0° | 179.9° |
| O14 | C63 | N13 | H81 | 180.0° | 0.0° |
| C63 | N13 | H80 | H81 | 180.0° | 179.9° |
| C64 | N14 | H82 | C61 | 180.0° | 179.7° |
| N14 | C64 | C65 | C66 | 122.3° | 120.2° |
| N14 | C64 | C65 | H83 | 119.3° | 118.2° |
| N14 | C64 | C66 | H83 | 119.5° | 117.6° |
| N14 | C64 | C65 | O15 | 26.0° | 43.7° |
| N14 | C64 | C66 | H84 | 180.0° | 60.0° |
| N14 | C64 | C66 | H85 | 60.0° | 180.0° |
| N14 | C64 | C66 | H86 | 60.0° | 60.0° |
| N14 | C64 | C65 | N15 | 154.4° | 137.0° |
| H82 | N14 | C64 | C65 | 25.0° | 32.3° |
| H82 | N14 | C64 | C66 | 97.1° | 91.1° |
| H82 | N14 | C64 | H83 | 143.8° | 150.9° |
| C65 | C64 | C66 | H83 | 118.4° | 121.7° |
| C64 | C65 | O15 | N15 | 179.6° | 179.4° |
| C65 | C64 | C66 | H84 | 58.0° | 60.8° |
| C65 | C64 | C66 | H85 | 178.0° | 59.2° |
| C65 | C64 | C66 | H86 | 62.1° | 179.2° |
| C64 | C65 | N15 | C67 | 179.3° | 177.3° |
| C64 | C65 | N15 | C71 | 3.9° | 4.0° |
| C65 | C64 | N14 | C61 | 155.0° | 148.0° |
| C66 | C64 | C65 | O15 | 96.3° | 163.8° |
| C64 | C66 | H84 | H85 | 120.0° | 120.0° |
| C64 | C66 | H84 | H86 | 120.0° | 120.0° |
| C64 | C66 | H85 | H86 | 119.9° | 119.9° |
| C66 | C64 | N14 | C61 | 82.9° | 88.6° |
| C66 | C64 | C65 | N15 | 83.3° | 16.8° |
| H83 | C64 | C65 | O15 | 145.3° | 74.5° |
| H83 | C64 | C66 | H84 | 60.4° | 177.5° |
| H83 | C64 | C66 | H85 | 59.6° | 62.4° |
| H83 | C64 | C66 | H86 | 179.5° | 57.5° |
| H83 | C64 | N14 | C61 | 36.2° | 29.4° |
| H83 | C64 | C65 | N15 | 35.1° | 104.8° |
| O15 | C65 | N15 | C67 | 1.1° | 3.3° |
| O15 | C65 | N15 | C71 | 176.6° | 175.4° |
| H84 | C66 | H85 | H86 | 120.0° | 120.1° |
| C67 | N15 | C71 | C65 | 175.7° | 178.8° |
| N15 | C67 | C68 | C69 | 115.4° | 121.0° |
| N15 | C67 | C68 | H87 | 123.6° | 119.9° |
| N15 | C67 | C69 | H87 | 117.4° | 117.1° |
| N15 | C67 | C68 | O16 | 62.0° | 11.8° |
| N15 | C67 | C69 | C70 | 31.4° | 21.4° |
| N15 | C67 | C69 | H88 | 87.7° | 97.1° |
| N15 | C67 | C69 | H89 | 150.5° | 140.3° |
| C67 | N15 | C71 | C70 | 2.5° | 6.6° |
| C67 | N15 | C71 | H92 | 121.6° | 126.2° |
| C67 | N15 | C71 | H93 | 116.6° | 111.8° |
| N15 | C67 | C68 | N16 | 115.4° | 169.3° |
| C71 | N15 | C67 | C68 | 138.2° | 131.6° |
| C71 | N15 | C67 | C69 | 18.0° | 9.4° |
| C71 | N15 | C67 | H87 | 98.7° | 107.6° |
| N15 | C71 | C70 | C69 | 22.9° | 19.7° |
| N15 | C71 | C70 | H92 | 119.1° | 120.3° |
| N15 | C71 | C70 | H93 | 119.1° | 119.5° |
| N15 | C71 | C70 | H90 | 142.4° | 138.0° |
| N15 | C71 | C70 | H91 | 96.6° | 99.2° |
| N15 | C71 | H92 | H93 | 122.6° | 121.6° |
| C68 | C67 | C69 | H87 | 121.0° | 120.3° |
| C67 | C68 | O16 | N16 | 177.2° | 179.0° |
| C68 | C67 | C69 | C70 | 153.0° | 143.9° |
| C68 | C67 | C69 | H88 | 33.9° | 25.4° |
| C68 | C67 | C69 | H89 | 87.9° | 97.1° |
| C67 | C68 | N16 | C72 | 169.2° | 172.1° |
| C67 | C68 | N16 | H94 | 10.8° | 7.9° |
| C68 | C67 | N15 | C65 | 45.6° | 49.5° |
| C69 | C67 | C68 | O16 | 53.4° | 109.2° |
| C67 | C69 | C70 | H88 | 119.1° | 118.4° |
| C67 | C69 | C70 | H89 | 119.1° | 119.0° |
| C67 | C69 | H88 | H89 | 122.7° | 122.6° |
| C67 | C69 | C70 | C71 | 34.0° | 24.2° |
| C67 | C69 | C70 | H90 | 153.5° | 142.3° |
| C67 | C69 | C70 | H91 | 85.5° | 94.3° |
| C69 | C67 | N15 | C65 | 165.8° | 171.7° |
| C69 | C67 | C68 | N16 | 129.2° | 69.8° |
| H87 | C67 | C68 | O16 | 174.4° | 131.7° |
| H87 | C67 | C69 | C70 | 86.0° | 95.8° |
| H87 | C67 | C69 | H88 | 154.9° | 145.8° |
| H87 | C67 | C69 | H89 | 33.1° | 23.2° |
| H87 | C67 | N15 | C65 | 77.5° | 71.4° |
| H87 | C67 | C68 | N16 | 8.2° | 49.4° |
| O16 | C68 | N16 | C72 | 13.6° | 9.0° |
| O16 | C68 | N16 | H94 | 166.5° | 171.1° |
| C70 | C69 | H88 | H89 | 122.6° | 122.7° |
| C69 | C70 | C71 | H90 | 119.5° | 118.3° |
| C69 | C70 | C71 | H91 | 119.5° | 118.9° |
| C69 | C70 | H90 | H91 | 121.6° | 123.2° |
| C69 | C70 | C71 | H92 | 142.0° | 139.9° |
| C69 | C70 | C71 | H93 | 96.2° | 99.8° |
| H88 | C69 | C70 | C71 | 85.1° | 94.1° |
| H88 | C69 | C70 | H90 | 34.4° | 24.0° |
| H88 | C69 | C70 | H91 | 155.4° | 147.3° |
| H89 | C69 | C70 | C71 | 153.1° | 143.2° |
| H89 | C69 | C70 | H90 | 87.4° | 98.7° |
| H89 | C69 | C70 | H91 | 33.6° | 24.6° |
| C71 | C70 | H90 | H91 | 121.6° | 122.4° |
| C70 | C71 | H92 | H93 | 122.7° | 118.9° |
| C70 | C71 | N15 | C65 | 173.2° | 172.2° |
| H90 | C70 | C71 | H92 | 98.6° | 101.8° |
| H90 | C70 | C71 | H93 | 23.3° | 18.5° |
| H91 | C70 | C71 | H92 | 22.5° | 21.0° |
| H91 | C70 | C71 | H93 | 144.3° | 141.3° |
| H92 | C71 | N15 | C65 | 54.1° | 52.6° |
| H93 | C71 | N15 | C65 | 67.7° | 69.3° |
| C72 | N16 | H94 | C68 | 180.0° | 180.0° |
| N16 | C72 | C73 | H95 | 121.4° | 121.8° |
| N16 | C72 | C73 | H96 | 121.3° | 120.4° |
| N16 | C72 | H95 | H96 | 115.7° | 118.7° |
| N16 | C72 | C73 | O17 | 172.7° | 19.5° |
| N16 | C72 | C73 | N17 | 7.2° | 160.7° |
| H94 | N16 | C72 | C73 | 66.5° | 47.6° |
| H94 | N16 | C72 | H95 | 54.8° | 168.9° |
| H94 | N16 | C72 | H96 | 172.2° | 72.6° |
| C73 | C72 | H95 | H96 | 115.7° | 117.9° |
| C72 | C73 | O17 | N17 | 179.9° | 179.8° |
| C72 | C73 | N17 | C74 | 175.3° | 176.3° |
| C72 | C73 | N17 | H97 | 4.7° | 3.6° |
| C73 | C72 | N16 | C68 | 113.5° | 132.5° |
| H95 | C72 | C73 | O17 | 51.3° | 102.3° |
| H95 | C72 | N16 | C68 | 125.1° | 11.1° |
| H95 | C72 | C73 | N17 | 128.6° | 77.5° |
| H96 | C72 | C73 | O17 | 66.0° | 139.9° |
| H96 | C72 | N16 | C68 | 7.8° | 107.3° |
| H96 | C72 | C73 | N17 | 114.1° | 40.3° |
| O17 | C73 | N17 | C74 | 4.8° | 3.6° |
| O17 | C73 | N17 | H97 | 175.2° | 176.6° |
| C74 | N17 | H97 | C73 | 180.0° | 179.8° |
| N17 | C74 | C75 | C76 | 126.2° | 119.4° |
| N17 | C74 | C75 | H98 | 118.1° | 119.9° |
| N17 | C74 | C76 | H98 | 116.3° | 120.8° |
| N17 | C74 | C75 | O18 | 168.2° | 12.8° |
| N17 | C74 | C76 | C77 | 56.6° | 54.1° |
| N17 | C74 | C76 | H99 | 177.1° | 174.0° |
| N17 | C74 | C76 | H100 | 63.9° | 65.9° |
| N17 | C74 | C75 | N18 | 11.7° | 167.5° |
| H97 | N17 | C74 | C75 | 98.4° | 24.0° |
| H97 | N17 | C74 | C76 | 28.1° | 95.5° |
| H97 | N17 | C74 | H98 | 143.9° | 143.7° |
| C75 | C74 | C76 | H98 | 115.7° | 120.5° |
| C74 | C75 | O18 | N18 | 179.9° | 179.8° |
| C75 | C74 | C76 | C77 | 71.4° | 64.6° |
| C75 | C74 | C76 | H99 | 49.1° | 55.4° |
| C75 | C74 | C76 | H100 | 168.1° | 175.4° |
| C74 | C75 | N18 | C78 | 177.7° | 178.9° |
| C74 | C75 | N18 | H102 | 2.3° | 1.5° |
| C75 | C74 | N17 | C73 | 81.7° | 156.1° |
| C76 | C74 | C75 | O18 | 42.0° | 132.2° |
| C74 | C76 | C77 | H99 | 120.5° | 119.9° |
| C74 | C76 | C77 | H100 | 120.5° | 120.0° |
| C74 | C76 | H99 | H100 | 118.4° | 120.1° |
| C74 | C76 | C77 | O19 | 59.5° | 6.4° |
| C74 | C76 | C77 | O20 | 121.5° | 173.6° |
| C76 | C74 | N17 | C73 | 151.9° | 84.4° |
| C76 | C74 | C75 | N18 | 137.9° | 48.1° |
| H98 | C74 | C75 | O18 | 73.7° | 107.1° |
| H98 | C74 | C76 | C77 | 172.9° | 174.9° |
| H98 | C74 | C76 | H99 | 66.6° | 65.2° |
| H98 | C74 | C76 | H100 | 52.4° | 54.9° |
| H98 | C74 | N17 | C73 | 36.1° | 36.4° |
| H98 | C74 | C75 | N18 | 106.4° | 72.6° |
| O18 | C75 | N18 | C78 | 2.4° | 1.4° |
| O18 | C75 | N18 | H102 | 177.5° | 178.3° |
| C77 | C76 | H99 | H100 | 118.4° | 120.0° |
| C76 | C77 | O19 | O20 | 179.0° | 180.0° |
| C76 | C77 | O20 | H101 | 179.0° | 180.0° |
| H99 | C76 | C77 | O19 | 61.0° | 113.6° |
| H99 | C76 | C77 | O20 | 118.0° | 66.5° |
| H100 | C76 | C77 | O19 | 180.0° | 126.4° |
| H100 | C76 | C77 | O20 | 1.0° | 53.5° |
| O19 | C77 | O20 | H101 | 0.0° | 0.1° |
| C78 | N18 | H102 | C75 | 180.0° | 179.6° |
| N18 | C78 | C79 | C80 | 124.2° | 119.9° |
| N18 | C78 | C79 | H103 | 119.1° | 120.4° |
| N18 | C78 | C80 | H103 | 117.8° | 120.8° |
| N18 | C78 | C79 | O21 | 156.1° | 43.5° |
| N18 | C78 | C80 | C81 | 99.9° | 179.0° |
| N18 | C78 | C80 | H104 | 21.3° | 59.0° |
| N18 | C78 | C80 | H105 | 138.9° | 61.0° |
| N18 | C78 | C79 | N19 | 23.9° | 136.6° |
| H102 | N18 | C78 | C79 | 69.4° | 39.8° |
| H102 | N18 | C78 | C80 | 54.7° | 79.9° |
| H102 | N18 | C78 | H103 | 172.0° | 159.7° |
| C79 | C78 | C80 | H103 | 116.8° | 119.5° |
| C78 | C79 | O21 | N19 | 179.9° | 179.8° |
| C79 | C78 | C80 | C81 | 134.7° | 61.2° |
| C79 | C78 | C80 | H104 | 104.1° | 178.7° |
| C79 | C78 | C80 | H105 | 13.5° | 58.7° |
| C78 | C79 | N19 | C84 | 179.0° | 178.8° |
| C78 | C79 | N19 | H113 | 1.0° | 1.2° |
| C79 | C78 | N18 | C75 | 110.6° | 140.5° |
| C80 | C78 | C79 | O21 | 79.8° | 76.4° |
| C78 | C80 | C81 | H104 | 121.2° | 120.0° |
| C78 | C80 | C81 | H105 | 121.2° | 120.0° |
| C78 | C80 | H104 | H105 | 116.2° | 120.1° |
| C78 | C80 | C81 | C82 | 35.7° | 63.4° |
| C78 | C80 | C81 | C83 | 160.2° | 176.6° |
| C78 | C80 | C81 | H106 | 82.4° | 56.6° |
| C80 | C78 | N18 | C75 | 125.2° | 99.8° |
| C80 | C78 | C79 | N19 | 100.3° | 103.5° |
| H103 | C78 | C79 | O21 | 37.0° | 163.9° |
| H103 | C78 | C80 | C81 | 17.9° | 58.2° |
| H103 | C78 | C80 | H104 | 139.1° | 61.8° |
| H103 | C78 | C80 | H105 | 103.3° | 178.2° |
| H103 | C78 | N18 | C75 | 8.0° | 20.7° |
| H103 | C78 | C79 | N19 | 142.9° | 16.3° |
| O21 | C79 | N19 | C84 | 0.9° | 1.4° |
| O21 | C79 | N19 | H113 | 179.1° | 178.6° |
| C81 | C80 | H104 | H105 | 116.2° | 119.9° |
| C80 | C81 | C82 | C83 | 124.5° | 120.0° |
| C80 | C81 | C82 | H106 | 118.0° | 120.0° |
| C80 | C81 | C83 | H106 | 117.3° | 120.0° |
| C80 | C81 | C82 | H107 | 180.0° | 54.4° |
| C80 | C81 | C82 | H108 | 60.0° | 174.4° |
| C80 | C81 | C82 | H109 | 60.0° | 65.6° |
| C80 | C81 | C83 | H110 | 180.0° | 60.0° |
| C80 | C81 | C83 | H111 | 60.0° | 180.0° |
| C80 | C81 | C83 | H112 | 60.0° | 60.0° |
| H104 | C80 | C81 | C82 | 85.5° | 56.6° |
| H104 | C80 | C81 | C83 | 39.0° | 63.4° |
| H104 | C80 | C81 | H106 | 156.4° | 176.6° |
| H105 | C80 | C81 | C82 | 156.9° | 176.6° |
| H105 | C80 | C81 | C83 | 78.6° | 56.6° |
| H105 | C80 | C81 | H106 | 38.8° | 63.5° |
| C82 | C81 | C83 | H106 | 117.5° | 120.0° |
| C81 | C82 | H107 | H108 | 120.0° | 120.0° |
| C81 | C82 | H107 | H109 | 120.0° | 120.0° |
| C81 | C82 | H108 | H109 | 120.0° | 120.0° |
| C82 | C81 | C83 | H110 | 54.8° | 180.0° |
| C82 | C81 | C83 | H111 | 65.2° | 60.0° |
| C82 | C81 | C83 | H112 | 174.8° | 60.0° |
| C83 | C81 | C82 | H107 | 55.5° | 65.6° |
| C83 | C81 | C82 | H108 | 175.5° | 54.4° |
| C83 | C81 | C82 | H109 | 64.6° | 174.5° |
| C81 | C83 | H110 | H111 | 120.0° | 120.0° |
| C81 | C83 | H110 | H112 | 120.0° | 120.1° |
| C81 | C83 | H111 | H112 | 120.0° | 120.0° |
| H106 | C81 | C82 | H107 | 62.0° | 174.4° |
| H106 | C81 | C82 | H108 | 58.0° | 65.6° |
| H106 | C81 | C82 | H109 | 177.9° | 54.4° |
| H106 | C81 | C83 | H110 | 62.7° | 60.0° |
| H106 | C81 | C83 | H111 | 177.3° | 60.0° |
| H106 | C81 | C83 | H112 | 57.3° | 180.0° |
| H107 | C82 | H108 | H109 | 120.0° | 120.0° |
| H110 | C83 | H111 | H112 | 120.0° | 120.0° |
| C84 | N19 | H113 | C79 | 180.0° | 180.0° |
| N19 | C84 | C85 | C86 | 124.6° | 119.5° |
| N19 | C84 | C85 | H114 | 117.7° | 120.2° |
| N19 | C84 | C86 | H114 | 118.2° | 121.3° |
| N19 | C84 | C85 | O22 | 102.3° | 2.6° |
| N19 | C84 | C86 | C87 | 41.3° | 65.0° |
| N19 | C84 | C86 | H115 | 79.4° | 55.0° |
| N19 | C84 | C86 | H116 | 161.9° | 174.9° |
| N19 | C84 | C85 | N22 | 77.3° | 177.4° |
| H113 | N19 | C84 | C85 | 120.1° | 22.7° |
| H113 | N19 | C84 | C86 | 115.2° | 96.5° |
| H113 | N19 | C84 | H114 | 2.5° | 142.4° |
| C85 | C84 | C86 | H114 | 117.9° | 120.1° |
| C84 | C85 | O22 | N22 | 179.5° | 179.9° |
| C85 | C84 | C86 | C87 | 165.1° | 176.4° |
| C85 | C84 | C86 | H115 | 44.5° | 63.6° |
| C85 | C84 | C86 | H116 | 74.2° | 56.4° |
| C84 | C85 | N22 | C90 | 170.4° | 177.7° |
| C84 | C85 | N22 | H121 | 9.6° | 2.5° |
| C85 | C84 | N19 | C79 | 59.9° | 157.3° |
| C86 | C84 | C85 | O22 | 22.3° | 116.9° |
| C84 | C86 | C87 | H115 | 120.6° | 120.0° |
| C84 | C86 | C87 | H116 | 120.6° | 120.0° |
| C84 | C86 | H115 | H116 | 118.0° | 120.0° |
| C84 | C86 | C87 | N20 | 76.2° | 95.0° |
| C84 | C86 | C87 | C88 | 102.8° | 85.3° |
| C86 | C84 | N19 | C79 | 64.8° | 83.5° |
| C86 | C84 | C85 | N22 | 158.2° | 63.2° |
| H114 | C84 | C85 | O22 | 140.0° | 122.8° |
| H114 | C84 | C86 | C87 | 76.9° | 56.3° |
| H114 | C84 | C86 | H115 | 162.4° | 176.3° |
| H114 | C84 | C86 | H116 | 43.7° | 63.7° |
| H114 | C84 | N19 | C79 | 177.4° | 37.6° |
| H114 | C84 | C85 | N22 | 40.5° | 57.2° |
| O22 | C85 | N22 | C90 | 9.1° | 2.4° |
| O22 | C85 | N22 | H121 | 170.9° | 177.5° |
| C87 | C86 | H115 | H116 | 118.1° | 120.1° |
| C86 | C87 | N20 | C88 | 179.2° | 179.7° |
| C86 | C87 | N20 | C89 | 179.5° | 179.9° |
| C86 | C87 | N20 | H117 | 0.5° | 0.0° |
| C86 | C87 | C88 | N21 | 179.3° | 179.9° |
| C86 | C87 | C88 | H118 | 0.7° | 0.0° |
| H115 | C86 | C87 | N20 | 163.2° | 25.0° |
| H115 | C86 | C87 | C88 | 17.8° | 154.7° |
| H116 | C86 | C87 | N20 | 44.4° | 145.0° |
| H116 | C86 | C87 | C88 | 136.6° | 34.7° |
| C87 | N20 | C89 | H117 | 180.0° | 179.9° |
| N20 | C87 | C88 | N21 | 0.2° | 0.2° |
| N20 | C87 | C88 | H118 | 179.8° | 179.7° |
| C87 | N20 | C89 | N21 | 0.3° | 0.1° |
| C87 | N20 | C89 | H119 | 179.7° | 180.0° |
| C88 | C87 | N20 | C89 | 0.3° | 0.2° |
| C88 | C87 | N20 | H117 | 179.7° | 179.7° |
| C87 | C88 | N21 | H118 | 180.0° | 179.9° |
| C87 | C88 | N21 | C89 | 0.0° | 0.1° |
| C87 | C88 | N21 | H120 | 180.0° | 180.0° |
| N20 | C89 | N21 | C88 | 0.2° | 0.0° |
| N20 | C89 | N21 | H119 | 180.0° | 179.8° |
| N20 | C89 | N21 | H120 | 179.8° | 179.9° |
| H117 | N20 | C89 | N21 | 179.7° | 179.8° |
| H117 | N20 | C89 | H119 | 0.3° | 0.0° |
| C88 | N21 | C89 | H120 | 180.0° | 179.9° |
| C88 | N21 | C89 | H119 | 179.8° | 179.8° |
| H118 | C88 | N21 | C89 | 180.0° | 179.8° |
| H118 | C88 | N21 | H120 | 0.0° | 0.1° |
| H119 | C89 | N21 | H120 | 0.2° | 0.0° |
| C90 | N22 | H121 | C85 | 180.0° | 179.9° |
| N22 | C90 | C91 | C92 | 126.1° | 119.2° |
| N22 | C90 | C91 | H122 | 118.2° | 120.5° |
| N22 | C90 | C92 | H122 | 116.1° | 121.3° |
| N22 | C90 | C91 | O23 | 113.6° | 23.1° |
| N22 | C90 | C92 | C93 | 95.8° | 66.1° |
| N22 | C90 | C92 | H123 | 25.3° | 53.9° |
| N22 | C90 | C92 | H124 | 143.2° | 173.9° |
| N22 | C90 | C91 | N23 | 66.3° | 156.7° |
| H121 | N22 | C90 | C91 | 76.8° | 46.2° |
| H121 | N22 | C90 | C92 | 49.9° | 72.8° |
| H121 | N22 | C90 | H122 | 165.5° | 166.3° |
| C91 | C90 | C92 | H122 | 115.7° | 120.3° |
| C90 | C91 | O23 | N23 | 179.9° | 179.8° |
| C91 | C90 | C92 | C93 | 136.1° | 175.6° |
| C91 | C90 | C92 | H123 | 102.8° | 64.5° |
| C91 | C90 | C92 | H124 | 15.0° | 55.6° |
| C90 | C91 | N23 | C96 | 178.6° | 178.3° |
| C90 | C91 | N23 | H132 | 1.4° | 2.0° |
| C91 | C90 | N22 | C85 | 103.2° | 133.9° |
| C92 | C90 | C91 | O23 | 120.3° | 96.1° |
| C90 | C92 | C93 | H123 | 121.1° | 119.9° |
| C90 | C92 | C93 | H124 | 121.1° | 120.0° |
| C90 | C92 | H123 | H124 | 116.7° | 120.0° |
| C90 | C92 | C93 | C94 | 15.9° | 175.5° |
| C90 | C92 | C93 | C95 | 140.8° | 64.5° |
| C90 | C92 | C93 | H125 | 102.6° | 55.5° |
| C92 | C90 | N22 | C85 | 130.1° | 107.0° |
| C92 | C90 | C91 | N23 | 59.8° | 84.1° |
| H122 | C90 | C91 | O23 | 4.6° | 143.6° |
| H122 | C90 | C92 | C93 | 20.4° | 55.3° |
| H122 | C90 | C92 | H123 | 141.4° | 175.2° |
| H122 | C90 | C92 | H124 | 100.7° | 64.8° |
| H122 | C90 | N22 | C85 | 14.5° | 13.9° |
| H122 | C90 | C91 | N23 | 175.5° | 36.2° |
| O23 | C91 | N23 | C96 | 1.5° | 2.0° |
| O23 | C91 | N23 | H132 | 178.5° | 177.7° |
| C93 | C92 | H123 | H124 | 116.7° | 120.1° |
| C92 | C93 | C94 | C95 | 124.7° | 120.0° |
| C92 | C93 | C94 | H125 | 118.4° | 120.1° |
| C92 | C93 | C95 | H125 | 116.5° | 120.1° |
| C92 | C93 | C94 | H126 | 180.0° | 55.1° |
| C92 | C93 | C94 | H127 | 60.0° | 175.1° |
| C92 | C93 | C94 | H128 | 60.0° | 64.9° |
| C92 | C93 | C95 | H129 | 180.0° | 60.0° |
| C92 | C93 | C95 | H130 | 60.0° | 180.0° |
| C92 | C93 | C95 | H131 | 60.0° | 60.0° |
| H123 | C92 | C93 | C94 | 105.2° | 55.6° |
| H123 | C92 | C93 | C95 | 19.8° | 175.6° |
| H123 | C92 | C93 | H125 | 136.3° | 64.4° |
| H124 | C92 | C93 | C94 | 136.9° | 64.5° |
| H124 | C92 | C93 | C95 | 98.1° | 55.5° |
| H124 | C92 | C93 | H125 | 18.5° | 175.5° |
| C94 | C93 | C95 | H125 | 116.9° | 119.9° |
| C93 | C94 | H126 | H127 | 120.0° | 120.0° |
| C93 | C94 | H126 | H128 | 120.0° | 119.9° |
| C93 | C94 | H127 | H128 | 120.0° | 119.9° |
| C94 | C93 | C95 | H129 | 53.3° | 180.0° |
| C94 | C93 | C95 | H130 | 66.7° | 59.9° |
| C94 | C93 | C95 | H131 | 173.3° | 60.0° |
| C95 | C93 | C94 | H126 | 55.3° | 64.9° |
| C95 | C93 | C94 | H127 | 175.3° | 55.1° |
| C95 | C93 | C94 | H128 | 64.7° | 175.1° |
| C93 | C95 | H129 | H130 | 120.0° | 120.0° |
| C93 | C95 | H129 | H131 | 120.0° | 120.0° |
| C93 | C95 | H130 | H131 | 120.0° | 120.0° |
| H125 | C93 | C94 | H126 | 61.6° | 175.2° |
| H125 | C93 | C94 | H127 | 58.4° | 64.8° |
| H125 | C93 | C94 | H128 | 178.4° | 55.2° |
| H125 | C93 | C95 | H129 | 63.5° | 60.1° |
| H125 | C93 | C95 | H130 | 176.4° | 60.0° |
| H125 | C93 | C95 | H131 | 56.4° | 179.9° |
| H126 | C94 | H127 | H128 | 120.0° | 120.1° |
| H129 | C95 | H130 | H131 | 119.9° | 120.0° |
| C96 | N23 | H132 | C91 | 180.0° | 179.7° |
| N23 | C96 | C97 | C98 | 123.4° | 118.3° |
| N23 | C96 | C97 | H133 | 119.2° | 121.0° |
| N23 | C96 | C98 | H133 | 118.4° | 119.9° |
| N23 | C96 | C97 | O24 | 44.9° | 20.0° |
| N23 | C96 | C98 | S1 | 46.8° | 176.0° |
| N23 | C96 | C98 | H134 | 167.4° | 55.7° |
| N23 | C96 | C98 | H135 | 73.8° | 64.2° |
| N23 | C96 | C97 | N24 | 169.4° | 160.0° |
| H132 | N23 | C96 | C97 | 110.1° | 82.4° |
| H132 | N23 | C96 | C98 | 13.4° | 37.0° |
| H132 | N23 | C96 | H133 | 131.2° | 156.7° |
| C97 | C96 | C98 | H133 | 117.4° | 120.7° |
| C96 | C97 | O24 | N24 | 76.4° | 179.9° |
| C97 | C96 | C98 | S1 | 77.5° | 64.6° |
| C97 | C96 | C98 | H134 | 43.2° | 175.1° |
| C97 | C96 | C98 | H135 | 162.0° | 55.2° |
| C96 | C97 | N24 | C99 | 90.0° | 180.0° |
| C96 | C97 | N24 | H136 | 90.0° | 0.0° |
| C97 | C96 | N23 | C91 | 69.9° | 97.9° |
| C98 | C96 | C97 | O24 | 78.5° | 98.3° |
| C96 | C98 | S1 | H134 | 120.6° | 120.3° |
| C96 | C98 | S1 | H135 | 120.6° | 119.9° |
| C96 | C98 | H134 | H135 | 118.2° | 119.8° |
| C96 | C98 | S1 | C2 | 170.9° | 177.3° |
| C98 | C96 | N23 | C91 | 166.6° | 142.7° |
| C98 | C96 | C97 | N24 | 46.0° | 81.6° |
| H133 | C96 | C97 | O24 | 164.1° | 141.1° |
| H133 | C96 | C98 | S1 | 165.1° | 56.1° |
| H133 | C96 | C98 | H134 | 74.2° | 64.2° |
| H133 | C96 | C98 | H135 | 44.6° | 175.9° |
| H133 | C96 | N23 | C91 | 48.8° | 23.0° |
| H133 | C96 | C97 | N24 | 71.4° | 39.0° |
| O24 | C97 | N24 | C99 | 90.0° | 0.0° |
| O24 | C97 | N24 | H136 | 90.0° | 180.0° |
| S1 | C98 | H134 | H135 | 118.1° | 119.5° |
| H134 | C98 | S1 | C2 | 68.5° | 57.0° |
| H135 | C98 | S1 | C2 | 50.3° | 62.8° |
| C99 | N24 | H136 | C97 | 90.0° | 180.0° |
| N24 | C99 | C100 | H137 | 90.0° | 120.1° |
| N24 | C99 | C100 | H138 | 90.0° | 120.0° |
| N24 | C99 | H137 | H138 | 90.0° | 120.0° |
| N24 | C99 | C100 | O25 | 90.0° | 0.1° |
| N24 | C99 | C100 | O26 | 90.0° | 180.0° |
| H136 | N24 | C99 | C100 | 90.0° | 0.0° |
| H136 | N24 | C99 | H137 | 90.0° | 120.0° |
| H136 | N24 | C99 | H138 | 90.0° | 120.0° |
| C100 | C99 | H137 | H138 | 90.0° | 120.0° |
| C99 | C100 | O25 | O26 | 90.0° | 179.9° |
| C99 | C100 | O26 | H139 | 90.0° | 179.9° |
| C100 | C99 | N24 | C97 | 90.0° | 179.9° |
| H137 | C99 | C100 | O25 | 90.0° | 120.0° |
| H137 | C99 | C100 | O26 | 90.0° | 59.9° |
| H137 | C99 | N24 | C97 | 90.0° | 60.0° |
| H138 | C99 | C100 | O25 | 90.0° | 120.0° |
| H138 | C99 | C100 | O26 | 90.0° | 60.1° |
| H138 | C99 | N24 | C97 | 90.0° | 60.0° |
| O25 | C100 | O26 | H139 | 90.0° | 0.0° |
| N1 | C1 | C2 | S1 | 102.3° | 158.8° |
