PRD_002585
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.47Å | 1.50Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.24Å | |
| C5 | S1 | sing | 1.81Å | 1.81Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | C6 | sing | 1.48Å | 1.47Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.21Å | 1.24Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C10 | sing | 1.53Å | 1.52Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| N3 | C11 | sing | 1.48Å | 1.47Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.54Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | O4 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | O5 | doub | 1.21Å | 1.25Å | |
| C15 | O6 | sing | 1.34Å | 1.25Å | |
| O6 | H23 | sing | 0.97Å | 0.95Å | |
| N4 | C16 | sing | 1.48Å | 1.47Å | |
| N4 | H24 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C16 | C18 | sing | 1.53Å | 1.54Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | O7 | doub | 1.21Å | 1.23Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | N5 | sing | 1.47Å | 1.46Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| N5 | C21 | sing | 1.37Å | 1.34Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| C21 | N6 | sing | 1.33Å | 1.34Å | |
| C21 | N7 | doub | 1.33Å | 1.33Å | |
| N6 | H33 | sing | 0.97Å | 1.00Å | |
| N6 | H34 | sing | 0.97Å | 1.00Å | |
| N7 | H35 | sing | 0.97Å | 1.00Å | |
| N7 | H36 | sing | 0.97Å | 1.00Å | |
| N8 | C22 | sing | 1.48Å | 1.48Å | |
| N8 | H37 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.54Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | O8 | doub | 1.21Å | 1.24Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | H41 | sing | 1.08Å | 1.08Å | |
| C27 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | H42 | sing | 1.08Å | 1.08Å | |
| C28 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | H43 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | H44 | sing | 1.08Å | 1.08Å | |
| C30 | H45 | sing | 1.08Å | 1.08Å | |
| N9 | C31 | sing | 1.48Å | 1.46Å | |
| N9 | H46 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | O9 | doub | 1.21Å | 1.23Å | |
| C33 | S2 | sing | 1.81Å | 1.80Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| N10 | C34 | sing | 1.46Å | 1.48Å | |
| N10 | H50 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.51Å | 1.54Å | |
| C34 | C36 | sing | 1.53Å | 1.54Å | |
| C34 | H51 | sing | 1.09Å | 1.10Å | |
| C35 | O10 | doub | 1.21Å | 1.23Å | |
| C36 | C37 | sing | 1.51Å | 1.52Å | |
| C36 | H52 | sing | 1.09Å | 1.10Å | |
| C36 | H53 | sing | 1.09Å | 1.10Å | |
| C37 | O11 | doub | 1.21Å | 1.25Å | |
| C37 | O12 | sing | 1.34Å | 1.25Å | |
| O12 | H54 | sing | 0.97Å | 0.95Å | |
| N11 | C38 | sing | 1.47Å | 1.47Å | |
| N11 | H55 | sing | 0.97Å | 1.00Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C38 | C43 | sing | 1.51Å | 1.51Å | |
| C38 | H56 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C39 | C41 | sing | 1.53Å | 1.54Å | |
| C39 | C42 | sing | 1.53Å | 1.52Å | |
| C40 | H57 | sing | 1.09Å | 1.10Å | |
| C40 | H58 | sing | 1.09Å | 1.10Å | |
| C40 | H59 | sing | 1.09Å | 1.10Å | |
| C41 | H60 | sing | 1.09Å | 1.10Å | |
| C41 | H61 | sing | 1.09Å | 1.10Å | |
| C41 | H62 | sing | 1.09Å | 1.10Å | |
| C42 | H63 | sing | 1.09Å | 1.10Å | |
| C42 | H64 | sing | 1.09Å | 1.10Å | |
| C42 | H65 | sing | 1.09Å | 1.10Å | |
| C43 | O13 | doub | 1.21Å | 1.23Å | |
| N12 | C44 | sing | 1.47Å | 1.47Å | |
| N12 | H66 | sing | 0.97Å | 1.00Å | |
| C44 | C45 | sing | 1.51Å | 1.53Å | |
| C44 | C46 | sing | 1.53Å | 1.54Å | |
| C44 | H67 | sing | 1.09Å | 1.10Å | |
| C45 | O14 | doub | 1.21Å | 1.23Å | |
| C46 | C47 | sing | 1.51Å | 1.52Å | |
| C46 | H68 | sing | 1.09Å | 1.10Å | |
| C46 | H69 | sing | 1.09Å | 1.10Å | |
| C47 | C48 | doub | 1.38Å | 1.40Å | Aromatic |
| C47 | C49 | sing | 1.38Å | 1.40Å | Aromatic |
| C48 | C50 | sing | 1.38Å | 1.39Å | Aromatic |
| C48 | H70 | sing | 1.08Å | 1.08Å | |
| C49 | C51 | doub | 1.38Å | 1.39Å | Aromatic |
| C49 | H71 | sing | 1.08Å | 1.08Å | |
| C50 | C52 | doub | 1.39Å | 1.39Å | Aromatic |
| C50 | H72 | sing | 1.08Å | 1.08Å | |
| C51 | C52 | sing | 1.39Å | 1.39Å | Aromatic |
| C51 | H73 | sing | 1.08Å | 1.08Å | |
| C52 | O15 | sing | 1.36Å | 1.38Å | |
| O15 | H74 | sing | 0.97Å | 0.95Å | |
| N13 | C53 | sing | 1.47Å | 1.46Å | |
| N13 | H75 | sing | 0.97Å | 1.00Å | |
| C53 | C54 | sing | 1.53Å | 1.52Å | |
| C53 | C62 | sing | 1.51Å | 1.50Å | |
| C53 | H76 | sing | 1.09Å | 1.10Å | |
| C54 | C55 | sing | 1.51Å | 1.51Å | |
| C54 | H77 | sing | 1.09Å | 1.10Å | |
| C54 | H78 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | doub | 1.34Å | 1.39Å | Aromatic |
| C55 | C57 | sing | 1.46Å | 1.47Å | Aromatic |
| C56 | N14 | sing | 1.37Å | 1.36Å | Aromatic |
| C56 | H79 | sing | 1.08Å | 1.08Å | |
| C57 | C58 | sing | 1.41Å | 1.48Å | Aromatic |
| C57 | C59 | doub | 1.40Å | 1.39Å | Aromatic |
| N14 | C58 | sing | 1.37Å | 1.34Å | Aromatic |
| N14 | H80 | sing | 0.97Å | 1.00Å | |
| C58 | N15 | doub | 1.33Å | 1.35Å | Aromatic |
| C59 | C61 | sing | 1.38Å | 1.39Å | Aromatic |
| C59 | H81 | sing | 1.08Å | 1.08Å | |
| N15 | C60 | sing | 1.32Å | 1.35Å | Aromatic |
| C60 | C61 | doub | 1.39Å | 1.41Å | Aromatic |
| C60 | H82 | sing | 1.08Å | 1.08Å | |
| C61 | H83 | sing | 1.08Å | 1.08Å | |
| C62 | O16 | doub | 1.21Å | 1.23Å | |
| N16 | C63 | sing | 1.47Å | 1.48Å | |
| N16 | H84 | sing | 0.97Å | 1.00Å | |
| C63 | C64 | sing | 1.51Å | 1.54Å | |
| C63 | C65 | sing | 1.53Å | 1.54Å | |
| C63 | H85 | sing | 1.09Å | 1.10Å | |
| C64 | O17 | doub | 1.21Å | 1.23Å | |
| C65 | C66 | sing | 1.53Å | 1.53Å | |
| C65 | H86 | sing | 1.09Å | 1.10Å | |
| C65 | H87 | sing | 1.09Å | 1.10Å | |
| C66 | C67 | sing | 1.51Å | 1.52Å | |
| C66 | H88 | sing | 1.09Å | 1.10Å | |
| C66 | H89 | sing | 1.09Å | 1.10Å | |
| C67 | O18 | doub | 1.21Å | 1.25Å | |
| C67 | O19 | sing | 1.34Å | 1.25Å | |
| O19 | H90 | sing | 0.97Å | 0.95Å | |
| N17 | C68 | sing | 1.47Å | 1.46Å | |
| N17 | H91 | sing | 0.97Å | 1.00Å | |
| C68 | C69 | sing | 1.51Å | 1.53Å | |
| C68 | C70 | sing | 1.53Å | 1.53Å | |
| C68 | H92 | sing | 1.09Å | 1.10Å | |
| C69 | O20 | doub | 1.21Å | 1.23Å | |
| C70 | C71 | sing | 1.51Å | 1.51Å | |
| C70 | H93 | sing | 1.09Å | 1.10Å | |
| C70 | H94 | sing | 1.09Å | 1.10Å | |
| C71 | C72 | doub | 1.38Å | 1.40Å | Aromatic |
| C71 | C73 | sing | 1.38Å | 1.40Å | Aromatic |
| C72 | C74 | sing | 1.38Å | 1.39Å | Aromatic |
| C72 | H95 | sing | 1.08Å | 1.08Å | |
| C73 | C75 | doub | 1.38Å | 1.39Å | Aromatic |
| C73 | H96 | sing | 1.08Å | 1.08Å | |
| C74 | C76 | doub | 1.39Å | 1.39Å | Aromatic |
| C74 | H97 | sing | 1.08Å | 1.08Å | |
| C75 | C76 | sing | 1.39Å | 1.38Å | Aromatic |
| C75 | H98 | sing | 1.08Å | 1.08Å | |
| C76 | O21 | sing | 1.36Å | 1.37Å | |
| O21 | H99 | sing | 0.97Å | 0.95Å | |
| N18 | C77 | sing | 1.47Å | 1.46Å | |
| N18 | C81 | sing | 1.47Å | 1.47Å | |
| C77 | C78 | sing | 1.51Å | 1.53Å | |
| C77 | C79 | sing | 1.54Å | 1.53Å | |
| C77 | H100 | sing | 1.09Å | 1.10Å | |
| C78 | O22 | doub | 1.21Å | 1.23Å | |
| C79 | C80 | sing | 1.55Å | 1.48Å | |
| C79 | H101 | sing | 1.09Å | 1.10Å | |
| C79 | H102 | sing | 1.09Å | 1.10Å | |
| C80 | C81 | sing | 1.55Å | 1.50Å | |
| C80 | H103 | sing | 1.09Å | 1.10Å | |
| C80 | H104 | sing | 1.09Å | 1.10Å | |
| C81 | H105 | sing | 1.09Å | 1.10Å | |
| C81 | H106 | sing | 1.09Å | 1.10Å | |
| C87 | C86 | doub | 1.38Å | 1.39Å | Aromatic |
| C87 | C88 | sing | 1.38Å | 1.39Å | Aromatic |
| C86 | C85 | sing | 1.38Å | 1.41Å | Aromatic |
| C82 | C83 | sing | 1.53Å | 1.54Å | |
| C88 | C89 | doub | 1.38Å | 1.38Å | Aromatic |
| C85 | C83 | sing | 1.51Å | 1.53Å | |
| C85 | C90 | doub | 1.38Å | 1.41Å | Aromatic |
| C89 | C90 | sing | 1.38Å | 1.39Å | Aromatic |
| C83 | N19 | sing | 1.46Å | 1.49Å | |
| C83 | C84 | sing | 1.51Å | 1.53Å | |
| O23 | C84 | doub | 1.21Å | 1.24Å | |
| C82 | H107 | sing | 1.09Å | 1.10Å | |
| C82 | H108 | sing | 1.09Å | 1.10Å | |
| C82 | H109 | sing | 1.09Å | 1.10Å | |
| N19 | H110 | sing | 0.97Å | 1.00Å | |
| C86 | H111 | sing | 1.08Å | 1.08Å | |
| C87 | H112 | sing | 1.08Å | 1.08Å | |
| C88 | H113 | sing | 1.08Å | 1.08Å | |
| C89 | H114 | sing | 1.08Å | 1.08Å | |
| C90 | H115 | sing | 1.08Å | 1.08Å | |
| N20 | C91 | sing | 1.46Å | 1.47Å | |
| N20 | H116 | sing | 0.97Å | 1.00Å | |
| C91 | C92 | sing | 1.53Å | 1.53Å | |
| C91 | C95 | sing | 1.51Å | 1.50Å | |
| C91 | H117 | sing | 1.09Å | 1.10Å | |
| C92 | C93 | sing | 1.53Å | 1.53Å | |
| C92 | H118 | sing | 1.09Å | 1.10Å | |
| C92 | H119 | sing | 1.09Å | 1.10Å | |
| C93 | C94 | sing | 1.53Å | 1.51Å | |
| C93 | H120 | sing | 1.09Å | 1.10Å | |
| C93 | H121 | sing | 1.09Å | 1.10Å | |
| C94 | H122 | sing | 1.09Å | 1.10Å | |
| C94 | H123 | sing | 1.09Å | 1.10Å | |
| C94 | H124 | sing | 1.09Å | 1.10Å | |
| C95 | O24 | doub | 1.21Å | 1.23Å | |
| N21 | H125 | sing | 0.97Å | 1.00Å | |
| N21 | H126 | sing | 0.97Å | 1.00Å | |
| C103 | C96 | sing | 1.51Å | 1.51Å | |
| C101 | C96 | doub | 1.38Å | 1.40Å | Aromatic |
| C101 | C100 | sing | 1.38Å | 1.39Å | Aromatic |
| C96 | C97 | sing | 1.38Å | 1.40Å | Aromatic |
| C100 | C99 | doub | 1.38Å | 1.40Å | Aromatic |
| C97 | C98 | doub | 1.38Å | 1.40Å | Aromatic |
| C99 | C98 | sing | 1.38Å | 1.40Å | Aromatic |
| C98 | C102 | sing | 1.51Å | 1.51Å | |
| C97 | H127 | sing | 1.08Å | 1.08Å | |
| C99 | H128 | sing | 1.08Å | 1.08Å | |
| C100 | H129 | sing | 1.08Å | 1.08Å | |
| C101 | H130 | sing | 1.08Å | 1.08Å | |
| C102 | H131 | sing | 1.09Å | 1.10Å | |
| C102 | H132 | sing | 1.09Å | 1.10Å | |
| C103 | H133 | sing | 1.09Å | 1.10Å | |
| C103 | H134 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.36Å | |
| C4 | N2 | sing | 1.37Å | 1.33Å | |
| C7 | N3 | sing | 1.36Å | 1.33Å | |
| C12 | N4 | sing | 1.37Å | 1.33Å | |
| C17 | N8 | sing | 1.36Å | 1.34Å | |
| C23 | N9 | sing | 1.37Å | 1.33Å | |
| C32 | N10 | sing | 1.35Å | 1.34Å | |
| C35 | N11 | sing | 1.35Å | 1.33Å | |
| C43 | N12 | sing | 1.35Å | 1.33Å | |
| C45 | N13 | sing | 1.35Å | 1.33Å | |
| C62 | N16 | sing | 1.35Å | 1.33Å | |
| C64 | N17 | sing | 1.35Å | 1.33Å | |
| C69 | N18 | sing | 1.35Å | 1.35Å | |
| C78 | N19 | sing | 1.35Å | 1.33Å | |
| C84 | N20 | sing | 1.35Å | 1.33Å | |
| C95 | N21 | sing | 1.35Å | 1.32Å | |
| S1 | C103 | sing | 1.81Å | 1.81Å | |
| S2 | C102 | sing | 1.81Å | 1.82Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 119.5° | 120.0° |
| O1 | C1 | N1 | 123.8° | 120.1° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 116.7° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.4° | 109.5° |
| C3 | N1 | H4 | 117.1° | 120.0° |
| N1 | C3 | C4 | 113.0° | 109.5° |
| N1 | C3 | C5 | 110.3° | 109.4° |
| N1 | C3 | H5 | 108.2° | 109.5° |
| C3 | N1 | C1 | 125.8° | 119.9° |
| H4 | N1 | C1 | 117.1° | 120.0° |
| C4 | C3 | C5 | 109.5° | 109.5° |
| C4 | C3 | H5 | 107.8° | 109.5° |
| C3 | C4 | O2 | 120.4° | 120.6° |
| C3 | C4 | N2 | 116.4° | 118.8° |
| C5 | C3 | H5 | 107.9° | 109.4° |
| C3 | C5 | S1 | 114.3° | 109.5° |
| C3 | C5 | H6 | 108.3° | 109.5° |
| C3 | C5 | H7 | 108.3° | 109.5° |
| O2 | C4 | N2 | 123.2° | 120.6° |
| S1 | C5 | H6 | 108.3° | 109.4° |
| S1 | C5 | H7 | 108.3° | 109.5° |
| C5 | S1 | C103 | 110.0° | 103.0° |
| H6 | C5 | H7 | 109.4° | 109.5° |
| C6 | N2 | H8 | 118.6° | 122.2° |
| N2 | C6 | C7 | 108.5° | 108.8° |
| N2 | C6 | C8 | 111.4° | 109.6° |
| N2 | C6 | H9 | 109.0° | 109.6° |
| C6 | N2 | C4 | 122.7° | 115.5° |
| H8 | N2 | C4 | 118.7° | 122.2° |
| C7 | C6 | C8 | 111.5° | 109.5° |
| C7 | C6 | H9 | 108.2° | 109.6° |
| C6 | C7 | O3 | 120.8° | 120.5° |
| C6 | C7 | N3 | 115.8° | 118.9° |
| C8 | C6 | H9 | 108.1° | 109.7° |
| C6 | C8 | C9 | 111.0° | 109.5° |
| C6 | C8 | C10 | 110.2° | 109.5° |
| C6 | C8 | H10 | 108.2° | 109.5° |
| O3 | C7 | N3 | 123.5° | 120.6° |
| C9 | C8 | C10 | 110.3° | 109.5° |
| C9 | C8 | H10 | 108.5° | 109.5° |
| C8 | C9 | H11 | 109.5° | 109.5° |
| C8 | C9 | H12 | 109.5° | 109.5° |
| C8 | C9 | H13 | 109.5° | 109.5° |
| C10 | C8 | H10 | 108.5° | 109.4° |
| C8 | C10 | H14 | 109.5° | 109.5° |
| C8 | C10 | H15 | 109.5° | 109.5° |
| C8 | C10 | H16 | 109.5° | 109.4° |
| H11 | C9 | H12 | 109.5° | 109.4° |
| H11 | C9 | H13 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H14 | C10 | H16 | 109.5° | 109.4° |
| H15 | C10 | H16 | 109.4° | 109.5° |
| C11 | N3 | H17 | 118.6° | 121.6° |
| N3 | C11 | C12 | 114.5° | 108.9° |
| N3 | C11 | C13 | 110.7° | 109.6° |
| N3 | C11 | H18 | 107.7° | 109.6° |
| C11 | N3 | C7 | 122.8° | 116.7° |
| H17 | N3 | C7 | 118.6° | 121.7° |
| C12 | C11 | C13 | 109.7° | 109.5° |
| C12 | C11 | H18 | 106.9° | 109.5° |
| C11 | C12 | O4 | 120.2° | 120.6° |
| C11 | C12 | N4 | 117.2° | 118.8° |
| C13 | C11 | H18 | 106.9° | 109.7° |
| C11 | C13 | C14 | 114.4° | 109.5° |
| C11 | C13 | H19 | 108.2° | 109.5° |
| C11 | C13 | H20 | 108.2° | 109.5° |
| O4 | C12 | N4 | 122.7° | 120.6° |
| C14 | C13 | H19 | 108.2° | 109.4° |
| C14 | C13 | H20 | 108.2° | 109.4° |
| C13 | C14 | C15 | 114.1° | 109.5° |
| C13 | C14 | H21 | 108.3° | 109.4° |
| C13 | C14 | H22 | 108.3° | 109.4° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| C15 | C14 | H21 | 108.3° | 109.5° |
| C15 | C14 | H22 | 108.3° | 109.5° |
| C14 | C15 | O5 | 119.3° | 120.0° |
| C14 | C15 | O6 | 118.3° | 120.1° |
| H21 | C14 | H22 | 109.5° | 109.4° |
| O5 | C15 | O6 | 122.4° | 120.0° |
| C15 | O6 | H23 | 109.5° | 117.0° |
| C16 | N4 | H24 | 119.2° | 122.2° |
| N4 | C16 | C17 | 114.9° | 108.6° |
| N4 | C16 | C18 | 111.1° | 109.6° |
| N4 | C16 | H25 | 107.1° | 109.6° |
| C16 | N4 | C12 | 121.6° | 115.5° |
| H24 | N4 | C12 | 119.2° | 122.3° |
| C17 | C16 | C18 | 110.7° | 109.6° |
| C17 | C16 | H25 | 106.3° | 109.6° |
| C16 | C17 | O7 | 119.2° | 120.5° |
| C16 | C17 | N8 | 118.1° | 119.1° |
| C18 | C16 | H25 | 106.3° | 109.8° |
| C16 | C18 | C19 | 115.9° | 109.5° |
| C16 | C18 | H26 | 107.8° | 109.5° |
| C16 | C18 | H27 | 107.8° | 109.5° |
| O7 | C17 | N8 | 122.7° | 120.4° |
| C19 | C18 | H26 | 107.9° | 109.5° |
| C19 | C18 | H27 | 107.8° | 109.5° |
| C18 | C19 | C20 | 111.0° | 109.5° |
| C18 | C19 | H28 | 109.1° | 109.4° |
| C18 | C19 | H29 | 109.1° | 109.4° |
| H26 | C18 | H27 | 109.5° | 109.4° |
| C20 | C19 | H28 | 109.1° | 109.5° |
| C20 | C19 | H29 | 109.1° | 109.5° |
| C19 | C20 | N5 | 111.6° | 109.4° |
| C19 | C20 | H30 | 108.9° | 109.5° |
| C19 | C20 | H31 | 108.9° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| N5 | C20 | H30 | 108.9° | 109.5° |
| N5 | C20 | H31 | 109.0° | 109.4° |
| C20 | N5 | C21 | 125.6° | 120.0° |
| C20 | N5 | H32 | 117.2° | 120.1° |
| H30 | C20 | H31 | 109.5° | 109.5° |
| C21 | N5 | H32 | 117.2° | 120.0° |
| N5 | C21 | N6 | 121.5° | 120.0° |
| N5 | C21 | N7 | 119.1° | 120.0° |
| N6 | C21 | N7 | 119.4° | 119.9° |
| C21 | N6 | H33 | 120.0° | 119.9° |
| C21 | N6 | H34 | 120.0° | 120.0° |
| C21 | N7 | H35 | 120.0° | 120.0° |
| C21 | N7 | H36 | 120.0° | 119.9° |
| H33 | N6 | H34 | 120.1° | 120.0° |
| H35 | N7 | H36 | 120.0° | 120.0° |
| C22 | N8 | H37 | 118.7° | 121.7° |
| N8 | C22 | C23 | 113.5° | 108.8° |
| N8 | C22 | C24 | 110.7° | 109.6° |
| N8 | C22 | H38 | 107.5° | 109.6° |
| C22 | N8 | C17 | 122.7° | 116.6° |
| H37 | N8 | C17 | 118.7° | 121.7° |
| C23 | C22 | C24 | 111.1° | 109.6° |
| C23 | C22 | H38 | 106.8° | 109.5° |
| C22 | C23 | O8 | 120.3° | 120.6° |
| C22 | C23 | N9 | 116.6° | 118.8° |
| C24 | C22 | H38 | 106.9° | 109.7° |
| C22 | C24 | C25 | 113.5° | 109.5° |
| C22 | C24 | H39 | 108.5° | 109.4° |
| C22 | C24 | H40 | 108.4° | 109.5° |
| O8 | C23 | N9 | 123.1° | 120.6° |
| C25 | C24 | H39 | 108.5° | 109.5° |
| C25 | C24 | H40 | 108.5° | 109.5° |
| C24 | C25 | C26 | 120.8° | 120.1° |
| C24 | C25 | C27 | 120.7° | 120.0° |
| H39 | C24 | H40 | 109.5° | 109.5° |
| C26 | C25 | C27 | 118.5° | 120.0° |
| C25 | C26 | C28 | 120.9° | 120.1° |
| C25 | C26 | H41 | 119.6° | 119.9° |
| C25 | C27 | C29 | 120.9° | 120.0° |
| C25 | C27 | H42 | 119.5° | 120.0° |
| C28 | C26 | H41 | 119.6° | 120.0° |
| C26 | C28 | C30 | 119.9° | 120.0° |
| C26 | C28 | H43 | 120.0° | 120.0° |
| C29 | C27 | H42 | 119.5° | 120.1° |
| C27 | C29 | C30 | 120.1° | 120.1° |
| C27 | C29 | H44 | 119.9° | 120.0° |
| C30 | C28 | H43 | 120.0° | 119.9° |
| C28 | C30 | C29 | 119.6° | 119.9° |
| C28 | C30 | H45 | 120.2° | 120.0° |
| C30 | C29 | H44 | 119.9° | 120.0° |
| C29 | C30 | H45 | 120.2° | 120.0° |
| C31 | N9 | H46 | 118.0° | 122.3° |
| N9 | C31 | C32 | 109.5° | 109.6° |
| N9 | C31 | C33 | 110.1° | 108.6° |
| N9 | C31 | H47 | 109.6° | 109.6° |
| C31 | N9 | C23 | 123.9° | 115.5° |
| H46 | N9 | C23 | 118.1° | 122.3° |
| C32 | C31 | C33 | 110.1° | 109.6° |
| C32 | C31 | H47 | 108.8° | 109.6° |
| C31 | C32 | O9 | 119.6° | 119.9° |
| C31 | C32 | N10 | 116.7° | 120.0° |
| C33 | C31 | H47 | 108.7° | 109.8° |
| C31 | C33 | S2 | 115.3° | 109.4° |
| C31 | C33 | H48 | 108.0° | 109.5° |
| C31 | C33 | H49 | 108.0° | 109.5° |
| O9 | C32 | N10 | 123.7° | 120.1° |
| S2 | C33 | H48 | 108.0° | 109.5° |
| S2 | C33 | H49 | 108.0° | 109.5° |
| C33 | S2 | C102 | 109.4° | 103.0° |
| H48 | C33 | H49 | 109.5° | 109.5° |
| C34 | N10 | H50 | 118.0° | 120.0° |
| N10 | C34 | C35 | 114.6° | 109.5° |
| N10 | C34 | C36 | 110.7° | 109.5° |
| N10 | C34 | H51 | 107.0° | 109.5° |
| C34 | N10 | C32 | 123.9° | 120.0° |
| H50 | N10 | C32 | 118.0° | 120.0° |
| C35 | C34 | C36 | 111.4° | 109.5° |
| C35 | C34 | H51 | 106.3° | 109.4° |
| C34 | C35 | O10 | 121.0° | 120.0° |
| C34 | C35 | N11 | 115.9° | 120.0° |
| C36 | C34 | H51 | 106.2° | 109.5° |
| C34 | C36 | C37 | 112.7° | 109.4° |
| C34 | C36 | H52 | 108.7° | 109.4° |
| C34 | C36 | H53 | 108.7° | 109.4° |
| O10 | C35 | N11 | 123.0° | 120.0° |
| C37 | C36 | H52 | 108.7° | 109.5° |
| C37 | C36 | H53 | 108.7° | 109.5° |
| C36 | C37 | O11 | 118.7° | 120.0° |
| C36 | C37 | O12 | 118.8° | 120.0° |
| H52 | C36 | H53 | 109.5° | 109.5° |
| O11 | C37 | O12 | 122.6° | 120.0° |
| C37 | O12 | H54 | 109.5° | 117.0° |
| C38 | N11 | H55 | 118.8° | 120.0° |
| N11 | C38 | C39 | 112.5° | 109.5° |
| N11 | C38 | C43 | 109.5° | 109.4° |
| N11 | C38 | H56 | 108.3° | 109.5° |
| C38 | N11 | C35 | 122.4° | 120.0° |
| H55 | N11 | C35 | 118.8° | 120.0° |
| C39 | C38 | C43 | 110.9° | 109.5° |
| C39 | C38 | H56 | 107.5° | 109.5° |
| C38 | C39 | C40 | 110.5° | 109.5° |
| C38 | C39 | C41 | 112.4° | 109.5° |
| C38 | C39 | C42 | 108.2° | 109.5° |
| C43 | C38 | H56 | 107.9° | 109.5° |
| C38 | C43 | O13 | 120.1° | 120.1° |
| C38 | C43 | N12 | 117.3° | 120.0° |
| C40 | C39 | C41 | 108.8° | 109.5° |
| C40 | C39 | C42 | 108.2° | 109.5° |
| C39 | C40 | H57 | 109.5° | 109.5° |
| C39 | C40 | H58 | 109.5° | 109.5° |
| C39 | C40 | H59 | 109.5° | 109.5° |
| C41 | C39 | C42 | 108.5° | 109.4° |
| C39 | C41 | H60 | 109.5° | 109.5° |
| C39 | C41 | H61 | 109.5° | 109.5° |
| C39 | C41 | H62 | 109.5° | 109.4° |
| C39 | C42 | H63 | 109.5° | 109.4° |
| C39 | C42 | H64 | 109.5° | 109.4° |
| C39 | C42 | H65 | 109.5° | 109.5° |
| H57 | C40 | H58 | 109.4° | 109.4° |
| H57 | C40 | H59 | 109.4° | 109.5° |
| H58 | C40 | H59 | 109.5° | 109.4° |
| H60 | C41 | H61 | 109.5° | 109.5° |
| H60 | C41 | H62 | 109.5° | 109.5° |
| H61 | C41 | H62 | 109.5° | 109.5° |
| H63 | C42 | H64 | 109.5° | 109.4° |
| H63 | C42 | H65 | 109.5° | 109.5° |
| H64 | C42 | H65 | 109.5° | 109.5° |
| O13 | C43 | N12 | 122.6° | 120.0° |
| C44 | N12 | H66 | 119.1° | 119.9° |
| N12 | C44 | C45 | 112.1° | 109.5° |
| N12 | C44 | C46 | 111.0° | 109.5° |
| N12 | C44 | H67 | 108.2° | 109.4° |
| C44 | N12 | C43 | 121.7° | 120.0° |
| H66 | N12 | C43 | 119.1° | 120.0° |
| C45 | C44 | C46 | 110.5° | 109.5° |
| C45 | C44 | H67 | 107.5° | 109.5° |
| C44 | C45 | O14 | 121.2° | 120.0° |
| C44 | C45 | N13 | 115.5° | 120.0° |
| C46 | C44 | H67 | 107.4° | 109.4° |
| C44 | C46 | C47 | 115.0° | 109.5° |
| C44 | C46 | H68 | 108.1° | 109.5° |
| C44 | C46 | H69 | 108.1° | 109.5° |
| O14 | C45 | N13 | 123.3° | 120.0° |
| C47 | C46 | H68 | 108.1° | 109.5° |
| C47 | C46 | H69 | 108.0° | 109.4° |
| C46 | C47 | C48 | 121.0° | 119.9° |
| C46 | C47 | C49 | 121.0° | 120.0° |
| H68 | C46 | H69 | 109.5° | 109.5° |
| C48 | C47 | C49 | 118.0° | 120.1° |
| C47 | C48 | C50 | 121.3° | 120.0° |
| C47 | C48 | H70 | 119.4° | 120.0° |
| C47 | C49 | C51 | 121.4° | 120.1° |
| C47 | C49 | H71 | 119.3° | 120.0° |
| C50 | C48 | H70 | 119.3° | 120.0° |
| C48 | C50 | C52 | 119.7° | 119.9° |
| C48 | C50 | H72 | 120.1° | 120.0° |
| C51 | C49 | H71 | 119.3° | 120.0° |
| C49 | C51 | C52 | 119.5° | 120.0° |
| C49 | C51 | H73 | 120.3° | 120.1° |
| C52 | C50 | H72 | 120.2° | 120.1° |
| C50 | C52 | C51 | 120.2° | 119.9° |
| C50 | C52 | O15 | 119.3° | 120.1° |
| C52 | C51 | H73 | 120.2° | 120.0° |
| C51 | C52 | O15 | 120.5° | 120.1° |
| C52 | O15 | H74 | 109.5° | 114.0° |
| C53 | N13 | H75 | 118.9° | 119.9° |
| N13 | C53 | C54 | 110.7° | 109.5° |
| N13 | C53 | C62 | 108.7° | 109.5° |
| N13 | C53 | H76 | 109.6° | 109.4° |
| C53 | N13 | C45 | 122.2° | 120.0° |
| H75 | N13 | C45 | 118.9° | 120.0° |
| C54 | C53 | C62 | 109.9° | 109.5° |
| C54 | C53 | H76 | 108.8° | 109.5° |
| C53 | C54 | C55 | 110.7° | 109.5° |
| C53 | C54 | H77 | 109.2° | 109.4° |
| C53 | C54 | H78 | 109.1° | 109.5° |
| C62 | C53 | H76 | 109.1° | 109.5° |
| C53 | C62 | O16 | 119.9° | 120.0° |
| C53 | C62 | N16 | 117.2° | 120.0° |
| C55 | C54 | H77 | 109.1° | 109.5° |
| C55 | C54 | H78 | 109.1° | 109.5° |
| C54 | C55 | C56 | 127.8° | 126.6° |
| C54 | C55 | C57 | 127.3° | 126.5° |
| H77 | C54 | H78 | 109.5° | 109.5° |
| C56 | C55 | C57 | 104.9° | 106.9° |
| C55 | C56 | N14 | 111.2° | 109.9° |
| C55 | C56 | H79 | 124.4° | 125.0° |
| C55 | C57 | C58 | 105.6° | 106.2° |
| C55 | C57 | C59 | 133.9° | 134.3° |
| N14 | C56 | H79 | 124.4° | 125.1° |
| C56 | N14 | C58 | 111.1° | 110.0° |
| C56 | N14 | H80 | 124.5° | 125.0° |
| C58 | C57 | C59 | 120.5° | 119.5° |
| C57 | C58 | N14 | 107.2° | 107.0° |
| C57 | C58 | N15 | 118.1° | 119.8° |
| C57 | C59 | C61 | 118.1° | 118.0° |
| C57 | C59 | H81 | 120.9° | 121.0° |
| C58 | N14 | H80 | 124.4° | 125.0° |
| N14 | C58 | N15 | 134.7° | 133.2° |
| C58 | N15 | C60 | 121.4° | 121.7° |
| C61 | C59 | H81 | 121.0° | 121.0° |
| C59 | C61 | C60 | 120.3° | 119.4° |
| C59 | C61 | H83 | 119.8° | 120.3° |
| N15 | C60 | C61 | 121.7° | 121.6° |
| N15 | C60 | H82 | 119.2° | 119.2° |
| C61 | C60 | H82 | 119.2° | 119.2° |
| C60 | C61 | H83 | 119.8° | 120.3° |
| O16 | C62 | N16 | 122.9° | 120.0° |
| C63 | N16 | H84 | 119.2° | 120.0° |
| N16 | C63 | C64 | 112.8° | 109.5° |
| N16 | C63 | C65 | 110.8° | 109.5° |
| N16 | C63 | H85 | 107.9° | 109.5° |
| C63 | N16 | C62 | 121.6° | 120.0° |
| H84 | N16 | C62 | 119.2° | 120.0° |
| C64 | C63 | C65 | 110.8° | 109.4° |
| C64 | C63 | H85 | 107.1° | 109.4° |
| C63 | C64 | O17 | 120.1° | 120.0° |
| C63 | C64 | N17 | 116.5° | 120.0° |
| C65 | C63 | H85 | 107.2° | 109.5° |
| C63 | C65 | C66 | 114.1° | 109.5° |
| C63 | C65 | H86 | 108.3° | 109.5° |
| C63 | C65 | H87 | 108.3° | 109.5° |
| O17 | C64 | N17 | 123.4° | 120.0° |
| C66 | C65 | H86 | 108.3° | 109.5° |
| C66 | C65 | H87 | 108.3° | 109.5° |
| C65 | C66 | C67 | 113.8° | 109.5° |
| C65 | C66 | H88 | 108.4° | 109.5° |
| C65 | C66 | H89 | 108.4° | 109.5° |
| H86 | C65 | H87 | 109.5° | 109.5° |
| C67 | C66 | H88 | 108.4° | 109.5° |
| C67 | C66 | H89 | 108.4° | 109.5° |
| C66 | C67 | O18 | 120.4° | 120.0° |
| C66 | C67 | O19 | 118.1° | 120.0° |
| H88 | C66 | H89 | 109.4° | 109.4° |
| O18 | C67 | O19 | 121.5° | 120.0° |
| C67 | O19 | H90 | 109.5° | 117.0° |
| C68 | N17 | H91 | 118.0° | 119.9° |
| N17 | C68 | C69 | 107.3° | 109.5° |
| N17 | C68 | C70 | 110.5° | 109.5° |
| N17 | C68 | H92 | 110.3° | 109.5° |
| C68 | N17 | C64 | 124.0° | 120.0° |
| H91 | N17 | C64 | 118.0° | 120.0° |
| C69 | C68 | C70 | 110.2° | 109.5° |
| C69 | C68 | H92 | 109.3° | 109.5° |
| C68 | C69 | O20 | 119.9° | 120.0° |
| C68 | C69 | N18 | 117.6° | 120.0° |
| C70 | C68 | H92 | 109.3° | 109.5° |
| C68 | C70 | C71 | 113.9° | 109.4° |
| C68 | C70 | H93 | 108.4° | 109.5° |
| C68 | C70 | H94 | 108.4° | 109.6° |
| O20 | C69 | N18 | 122.5° | 120.0° |
| C71 | C70 | H93 | 108.3° | 109.4° |
| C71 | C70 | H94 | 108.4° | 109.5° |
| C70 | C71 | C72 | 120.9° | 120.0° |
| C70 | C71 | C73 | 121.1° | 119.9° |
| H93 | C70 | H94 | 109.5° | 109.4° |
| C72 | C71 | C73 | 118.0° | 120.1° |
| C71 | C72 | C74 | 121.1° | 120.1° |
| C71 | C72 | H95 | 119.4° | 120.0° |
| C71 | C73 | C75 | 121.2° | 120.1° |
| C71 | C73 | H96 | 119.4° | 120.0° |
| C74 | C72 | H95 | 119.4° | 120.0° |
| C72 | C74 | C76 | 119.7° | 119.9° |
| C72 | C74 | H97 | 120.2° | 120.0° |
| C75 | C73 | H96 | 119.4° | 119.9° |
| C73 | C75 | C76 | 119.5° | 119.9° |
| C73 | C75 | H98 | 120.2° | 120.1° |
| C76 | C74 | H97 | 120.2° | 120.0° |
| C74 | C76 | C75 | 120.4° | 119.9° |
| C74 | C76 | O21 | 119.5° | 120.0° |
| C76 | C75 | H98 | 120.2° | 120.1° |
| C75 | C76 | O21 | 120.1° | 120.0° |
| C76 | O21 | H99 | 109.5° | 114.0° |
| C77 | N18 | C81 | 111.6° | 108.7° |
| N18 | C77 | C78 | 111.8° | 109.9° |
| N18 | C77 | C79 | 103.3° | 107.3° |
| N18 | C77 | H100 | 110.7° | 109.9° |
| C77 | N18 | C69 | 119.6° | 125.6° |
| N18 | C81 | C80 | 103.8° | 104.8° |
| N18 | C81 | H105 | 110.9° | 110.3° |
| N18 | C81 | H106 | 110.9° | 110.4° |
| C81 | N18 | C69 | 128.6° | 125.7° |
| C78 | C77 | C79 | 111.3° | 109.8° |
| C78 | C77 | H100 | 109.8° | 109.9° |
| C77 | C78 | O22 | 119.8° | 120.0° |
| C77 | C78 | N19 | 115.8° | 120.0° |
| C79 | C77 | H100 | 109.8° | 110.0° |
| C77 | C79 | C80 | 104.1° | 102.9° |
| C77 | C79 | H101 | 110.8° | 110.7° |
| C77 | C79 | H102 | 110.8° | 110.7° |
| O22 | C78 | N19 | 124.3° | 119.9° |
| C80 | C79 | H101 | 110.8° | 110.7° |
| C80 | C79 | H102 | 110.8° | 110.7° |
| C79 | C80 | C81 | 106.3° | 101.5° |
| C79 | C80 | H103 | 110.2° | 111.0° |
| C79 | C80 | H104 | 110.3° | 111.0° |
| H101 | C79 | H102 | 109.4° | 110.8° |
| C81 | C80 | H103 | 110.3° | 111.2° |
| C81 | C80 | H104 | 110.3° | 111.0° |
| C80 | C81 | H105 | 110.9° | 110.5° |
| C80 | C81 | H106 | 110.9° | 110.3° |
| H103 | C80 | H104 | 109.5° | 110.9° |
| H105 | C81 | H106 | 109.5° | 110.4° |
| C86 | C87 | C88 | 120.6° | 120.0° |
| C87 | C86 | C85 | 120.9° | 120.0° |
| C87 | C86 | H111 | 119.6° | 120.0° |
| C86 | C87 | H112 | 119.7° | 120.0° |
| C87 | C88 | C89 | 119.8° | 120.0° |
| C88 | C87 | H112 | 119.7° | 120.1° |
| C87 | C88 | H113 | 120.1° | 120.0° |
| C86 | C85 | C83 | 122.1° | 120.0° |
| C86 | C85 | C90 | 117.3° | 120.0° |
| C85 | C86 | H111 | 119.6° | 120.0° |
| C82 | C83 | C85 | 110.9° | 109.5° |
| C82 | C83 | N19 | 104.5° | 109.5° |
| C82 | C83 | C84 | 112.8° | 109.5° |
| C83 | C82 | H107 | 109.5° | 109.5° |
| C83 | C82 | H108 | 109.5° | 109.5° |
| C83 | C82 | H109 | 109.4° | 109.5° |
| C88 | C89 | C90 | 119.8° | 120.0° |
| C89 | C88 | H113 | 120.1° | 120.0° |
| C88 | C89 | H114 | 120.1° | 120.0° |
| C83 | C85 | C90 | 120.6° | 120.0° |
| C85 | C83 | N19 | 111.8° | 109.4° |
| C85 | C83 | C84 | 104.5° | 109.5° |
| C85 | C90 | C89 | 121.6° | 120.0° |
| C85 | C90 | H115 | 119.2° | 120.0° |
| C90 | C89 | H114 | 120.1° | 120.0° |
| C89 | C90 | H115 | 119.2° | 120.1° |
| N19 | C83 | C84 | 112.6° | 109.5° |
| C83 | N19 | H110 | 117.7° | 119.9° |
| C83 | N19 | C78 | 124.5° | 120.1° |
| C83 | C84 | O23 | 121.1° | 120.0° |
| C83 | C84 | N20 | 115.7° | 120.0° |
| O23 | C84 | N20 | 123.2° | 120.0° |
| H107 | C82 | H108 | 109.5° | 109.4° |
| H107 | C82 | H109 | 109.5° | 109.5° |
| H108 | C82 | H109 | 109.5° | 109.5° |
| H110 | N19 | C78 | 117.7° | 120.0° |
| C91 | N20 | H116 | 118.4° | 120.0° |
| N20 | C91 | C92 | 111.1° | 109.5° |
| N20 | C91 | C95 | 110.3° | 109.5° |
| N20 | C91 | H117 | 109.3° | 109.4° |
| C91 | N20 | C84 | 123.3° | 120.0° |
| H116 | N20 | C84 | 118.3° | 120.0° |
| C92 | C91 | C95 | 108.6° | 109.5° |
| C92 | C91 | H117 | 108.6° | 109.4° |
| C91 | C92 | C93 | 113.1° | 109.5° |
| C91 | C92 | H118 | 108.5° | 109.5° |
| C91 | C92 | H119 | 108.5° | 109.5° |
| C95 | C91 | H117 | 108.9° | 109.5° |
| C91 | C95 | O24 | 121.2° | 120.0° |
| C91 | C95 | N21 | 127.9° | 120.0° |
| C93 | C92 | H118 | 108.6° | 109.4° |
| C93 | C92 | H119 | 108.6° | 109.5° |
| C92 | C93 | C94 | 110.8° | 109.5° |
| C92 | C93 | H120 | 109.1° | 109.4° |
| C92 | C93 | H121 | 109.1° | 109.5° |
| H118 | C92 | H119 | 109.5° | 109.5° |
| C94 | C93 | H120 | 109.2° | 109.4° |
| C94 | C93 | H121 | 109.1° | 109.5° |
| C93 | C94 | H122 | 109.5° | 109.5° |
| C93 | C94 | H123 | 109.5° | 109.4° |
| C93 | C94 | H124 | 109.4° | 109.5° |
| H120 | C93 | H121 | 109.5° | 109.5° |
| H122 | C94 | H123 | 109.5° | 109.5° |
| H122 | C94 | H124 | 109.5° | 109.5° |
| H123 | C94 | H124 | 109.5° | 109.5° |
| O24 | C95 | N21 | 110.9° | 120.0° |
| H125 | N21 | H126 | 120.0° | 120.0° |
| H125 | N21 | C95 | 120.0° | 120.0° |
| H126 | N21 | C95 | 120.0° | 120.0° |
| C103 | C96 | C101 | 119.9° | 120.0° |
| C103 | C96 | C97 | 120.2° | 120.0° |
| C96 | C103 | H133 | 107.7° | 109.5° |
| C96 | C103 | H134 | 107.7° | 109.5° |
| C96 | C103 | S1 | 116.6° | 109.5° |
| C96 | C101 | C100 | 119.6° | 120.0° |
| C101 | C96 | C97 | 119.9° | 120.0° |
| C96 | C101 | H130 | 120.2° | 120.0° |
| C101 | C100 | C99 | 120.5° | 120.0° |
| C101 | C100 | H129 | 119.7° | 120.0° |
| C100 | C101 | H130 | 120.2° | 120.0° |
| C96 | C97 | C98 | 120.4° | 120.0° |
| C96 | C97 | H127 | 119.8° | 120.0° |
| C100 | C99 | C98 | 120.4° | 119.9° |
| C100 | C99 | H128 | 119.8° | 120.0° |
| C99 | C100 | H129 | 119.7° | 120.0° |
| C97 | C98 | C99 | 119.1° | 120.1° |
| C97 | C98 | C102 | 123.5° | 120.0° |
| C98 | C97 | H127 | 119.8° | 120.0° |
| C99 | C98 | C102 | 117.4° | 119.9° |
| C98 | C99 | H128 | 119.8° | 120.0° |
| C98 | C102 | H131 | 106.5° | 109.5° |
| C98 | C102 | H132 | 106.5° | 109.5° |
| C98 | C102 | S2 | 121.2° | 109.5° |
| H131 | C102 | H132 | 109.5° | 109.5° |
| H131 | C102 | S2 | 106.5° | 109.5° |
| H132 | C102 | S2 | 106.4° | 109.4° |
| H133 | C103 | H134 | 109.5° | 109.5° |
| H133 | C103 | S1 | 107.7° | 109.5° |
| H134 | C103 | S1 | 107.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.5° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 90.0° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 30.0° |
| O1 | C1 | N1 | C3 | 1.9° | 0.0° |
| O1 | C1 | N1 | H4 | 178.1° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 177.6° | 179.7° |
| C2 | C1 | N1 | H4 | 2.4° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 179.5° | 89.7° |
| H2 | C2 | C1 | N1 | 60.4° | 30.3° |
| H3 | C2 | C1 | N1 | 59.5° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 123.3° | 120.0° |
| N1 | C3 | C4 | H5 | 119.6° | 120.0° |
| N1 | C3 | C5 | H5 | 118.0° | 119.9° |
| N1 | C3 | C4 | O2 | 60.4° | 174.8° |
| N1 | C3 | C5 | S1 | 172.7° | 154.2° |
| N1 | C3 | C5 | H6 | 52.0° | 34.3° |
| N1 | C3 | C5 | H7 | 66.5° | 85.8° |
| N1 | C3 | C4 | N2 | 120.2° | 5.2° |
| H4 | N1 | C3 | C4 | 104.1° | 95.0° |
| H4 | N1 | C3 | C5 | 18.8° | 25.1° |
| H4 | N1 | C3 | H5 | 136.6° | 145.0° |
| C4 | C3 | C5 | H5 | 117.1° | 120.1° |
| C3 | C4 | O2 | N2 | 179.4° | 180.0° |
| C4 | C3 | C5 | S1 | 62.4° | 85.8° |
| C4 | C3 | C5 | H6 | 176.9° | 154.3° |
| C4 | C3 | C5 | H7 | 58.4° | 34.2° |
| C3 | C4 | N2 | C6 | 180.0° | 178.9° |
| C3 | C4 | N2 | H8 | 0.0° | 1.1° |
| C4 | C3 | N1 | C1 | 75.9° | 85.0° |
| C5 | C3 | C4 | O2 | 62.9° | 54.8° |
| C3 | C5 | S1 | H6 | 120.7° | 120.0° |
| C3 | C5 | S1 | H7 | 120.7° | 120.0° |
| C3 | C5 | H6 | H7 | 117.8° | 120.0° |
| C5 | C3 | N1 | C1 | 161.2° | 154.9° |
| C5 | C3 | C4 | N2 | 116.5° | 125.2° |
| C3 | C5 | S1 | C103 | 130.8° | 118.9° |
| H5 | C3 | C4 | O2 | 179.9° | 65.2° |
| H5 | C3 | C5 | S1 | 54.7° | 34.3° |
| H5 | C3 | C5 | H6 | 66.0° | 85.7° |
| H5 | C3 | C5 | H7 | 175.4° | 154.3° |
| H5 | C3 | N1 | C1 | 43.4° | 35.0° |
| H5 | C3 | C4 | N2 | 0.6° | 114.8° |
| O2 | C4 | N2 | C6 | 0.6° | 1.1° |
| O2 | C4 | N2 | H8 | 179.4° | 178.9° |
| S1 | C5 | H6 | H7 | 117.8° | 120.0° |
| C5 | S1 | C103 | C96 | 155.3° | 135.5° |
| C5 | S1 | C103 | H133 | 83.7° | 104.5° |
| C5 | S1 | C103 | H134 | 34.2° | 15.5° |
| H6 | C5 | S1 | C103 | 10.1° | 1.2° |
| H7 | C5 | S1 | C103 | 108.5° | 121.1° |
| C6 | N2 | H8 | C4 | 180.0° | 180.0° |
| N2 | C6 | C7 | C8 | 123.1° | 119.8° |
| N2 | C6 | C7 | H9 | 118.2° | 119.8° |
| N2 | C6 | C8 | H9 | 119.8° | 120.4° |
| N2 | C6 | C7 | O3 | 86.0° | 22.8° |
| N2 | C6 | C8 | C9 | 178.2° | 173.8° |
| N2 | C6 | C8 | C10 | 55.7° | 53.8° |
| N2 | C6 | C8 | H10 | 62.8° | 66.1° |
| N2 | C6 | C7 | N3 | 93.9° | 157.3° |
| H8 | N2 | C6 | C7 | 90.8° | 78.7° |
| H8 | N2 | C6 | C8 | 32.3° | 161.5° |
| H8 | N2 | C6 | H9 | 151.5° | 41.1° |
| C7 | C6 | C8 | H9 | 118.8° | 120.3° |
| C6 | C7 | O3 | N3 | 179.9° | 179.9° |
| C7 | C6 | C8 | C9 | 60.4° | 66.9° |
| C7 | C6 | C8 | C10 | 177.2° | 173.1° |
| C7 | C6 | C8 | H10 | 58.6° | 53.2° |
| C6 | C7 | N3 | C11 | 169.0° | 179.6° |
| C6 | C7 | N3 | H17 | 11.0° | 0.4° |
| C7 | C6 | N2 | C4 | 89.2° | 101.3° |
| C8 | C6 | C7 | O3 | 37.1° | 142.6° |
| C6 | C8 | C9 | C10 | 122.5° | 120.0° |
| C6 | C8 | C9 | H10 | 118.8° | 120.0° |
| C6 | C8 | C10 | H10 | 118.4° | 120.0° |
| C6 | C8 | C9 | H11 | 180.0° | 152.6° |
| C6 | C8 | C9 | H12 | 60.0° | 87.4° |
| C6 | C8 | C9 | H13 | 60.0° | 32.6° |
| C6 | C8 | C10 | H14 | 180.0° | 61.5° |
| C6 | C8 | C10 | H15 | 60.0° | 178.4° |
| C6 | C8 | C10 | H16 | 60.0° | 58.4° |
| C8 | C6 | N2 | C4 | 147.7° | 18.4° |
| C8 | C6 | C7 | N3 | 143.0° | 37.5° |
| H9 | C6 | C7 | O3 | 155.8° | 97.1° |
| H9 | C6 | C8 | C9 | 58.4° | 53.4° |
| H9 | C6 | C8 | C10 | 64.0° | 66.6° |
| H9 | C6 | C8 | H10 | 177.4° | 173.5° |
| H9 | C6 | N2 | C4 | 28.5° | 138.9° |
| H9 | C6 | C7 | N3 | 24.3° | 82.8° |
| O3 | C7 | N3 | C11 | 10.8° | 0.3° |
| O3 | C7 | N3 | H17 | 169.1° | 179.7° |
| C9 | C8 | C10 | H10 | 118.7° | 120.0° |
| C8 | C9 | H11 | H12 | 120.0° | 120.0° |
| C8 | C9 | H11 | H13 | 120.0° | 120.1° |
| C8 | C9 | H12 | H13 | 120.0° | 120.0° |
| C9 | C8 | C10 | H14 | 57.1° | 178.5° |
| C9 | C8 | C10 | H15 | 62.9° | 58.4° |
| C9 | C8 | C10 | H16 | 177.1° | 61.6° |
| C10 | C8 | C9 | H11 | 57.6° | 32.6° |
| C10 | C8 | C9 | H12 | 177.5° | 152.6° |
| C10 | C8 | C9 | H13 | 62.5° | 87.4° |
| C8 | C10 | H14 | H15 | 120.0° | 120.0° |
| C8 | C10 | H14 | H16 | 120.0° | 119.9° |
| C8 | C10 | H15 | H16 | 120.0° | 120.0° |
| H10 | C8 | C9 | H11 | 61.2° | 87.3° |
| H10 | C8 | C9 | H12 | 58.8° | 32.6° |
| H10 | C8 | C9 | H13 | 178.8° | 152.6° |
| H10 | C8 | C10 | H14 | 61.6° | 58.5° |
| H10 | C8 | C10 | H15 | 178.3° | 61.6° |
| H10 | C8 | C10 | H16 | 58.4° | 178.4° |
| H11 | C9 | H12 | H13 | 120.0° | 120.0° |
| H14 | C10 | H15 | H16 | 120.0° | 120.0° |
| C11 | N3 | H17 | C7 | 180.0° | 180.0° |
| N3 | C11 | C12 | C13 | 125.2° | 119.8° |
| N3 | C11 | C12 | H18 | 119.2° | 119.9° |
| N3 | C11 | C13 | H18 | 117.0° | 120.4° |
| N3 | C11 | C12 | O4 | 149.9° | 19.2° |
| N3 | C11 | C13 | C14 | 66.7° | 65.0° |
| N3 | C11 | C13 | H19 | 54.0° | 55.0° |
| N3 | C11 | C13 | H20 | 172.6° | 175.0° |
| N3 | C11 | C12 | N4 | 28.9° | 160.7° |
| H17 | N3 | C11 | C12 | 114.5° | 46.1° |
| H17 | N3 | C11 | C13 | 10.1° | 73.7° |
| H17 | N3 | C11 | H18 | 126.7° | 165.9° |
| C12 | C11 | C13 | H18 | 115.6° | 120.2° |
| C11 | C12 | O4 | N4 | 178.7° | 180.0° |
| C12 | C11 | C13 | C14 | 165.9° | 175.6° |
| C12 | C11 | C13 | H19 | 73.3° | 64.4° |
| C12 | C11 | C13 | H20 | 45.2° | 55.6° |
| C11 | C12 | N4 | C16 | 179.5° | 179.6° |
| C11 | C12 | N4 | H24 | 0.4° | 0.4° |
| C12 | C11 | N3 | C7 | 65.4° | 133.9° |
| C13 | C11 | C12 | O4 | 84.9° | 100.6° |
| C11 | C13 | C14 | H19 | 120.7° | 120.0° |
| C11 | C13 | C14 | H20 | 120.7° | 120.0° |
| C11 | C13 | H19 | H20 | 117.8° | 120.0° |
| C11 | C13 | C14 | C15 | 179.6° | 180.0° |
| C11 | C13 | C14 | H21 | 59.7° | 60.0° |
| C11 | C13 | C14 | H22 | 58.9° | 59.9° |
| C13 | C11 | N3 | C7 | 169.9° | 106.3° |
| C13 | C11 | C12 | N4 | 96.3° | 79.4° |
| H18 | C11 | C12 | O4 | 30.7° | 139.1° |
| H18 | C11 | C13 | C14 | 50.3° | 55.4° |
| H18 | C11 | C13 | H19 | 171.1° | 175.4° |
| H18 | C11 | C13 | H20 | 70.4° | 64.6° |
| H18 | C11 | N3 | C7 | 53.3° | 14.1° |
| H18 | C11 | C12 | N4 | 148.1° | 40.9° |
| O4 | C12 | N4 | C16 | 0.8° | 0.4° |
| O4 | C12 | N4 | H24 | 179.2° | 179.6° |
| C14 | C13 | H19 | H20 | 117.8° | 120.0° |
| C13 | C14 | C15 | H21 | 120.7° | 120.0° |
| C13 | C14 | C15 | H22 | 120.7° | 120.0° |
| C13 | C14 | H21 | H22 | 117.9° | 119.9° |
| C13 | C14 | C15 | O5 | 8.7° | 0.0° |
| C13 | C14 | C15 | O6 | 171.2° | 180.0° |
| H19 | C13 | C14 | C15 | 58.8° | 60.0° |
| H19 | C13 | C14 | H21 | 179.5° | NaN° |
| H19 | C13 | C14 | H22 | 61.9° | 60.1° |
| H20 | C13 | C14 | C15 | 59.7° | 60.0° |
| H20 | C13 | C14 | H21 | 61.0° | 60.0° |
| H20 | C13 | C14 | H22 | 179.6° | 179.9° |
| C15 | C14 | H21 | H22 | 117.9° | 120.0° |
| C14 | C15 | O5 | O6 | 179.9° | 180.0° |
| C14 | C15 | O6 | H23 | 179.9° | 179.9° |
| H21 | C14 | C15 | O5 | 129.4° | 120.0° |
| H21 | C14 | C15 | O6 | 50.6° | 60.0° |
| H22 | C14 | C15 | O5 | 112.0° | 120.0° |
| H22 | C14 | C15 | O6 | 68.1° | 60.0° |
| O5 | C15 | O6 | H23 | 0.0° | 0.0° |
| C16 | N4 | H24 | C12 | 180.0° | 180.0° |
| N4 | C16 | C17 | C18 | 126.7° | 119.7° |
| N4 | C16 | C17 | H25 | 118.3° | 119.7° |
| N4 | C16 | C18 | H25 | 116.2° | 120.5° |
| N4 | C16 | C17 | O7 | 162.7° | 30.2° |
| N4 | C16 | C18 | C19 | 67.9° | 66.5° |
| N4 | C16 | C18 | H26 | 171.2° | 173.5° |
| N4 | C16 | C18 | H27 | 53.0° | 53.6° |
| N4 | C16 | C17 | N8 | 18.2° | 149.9° |
| H24 | N4 | C16 | C17 | 114.6° | 54.1° |
| H24 | N4 | C16 | C18 | 12.0° | 173.8° |
| H24 | N4 | C16 | H25 | 127.6° | 65.7° |
| C17 | C16 | C18 | H25 | 115.0° | 120.5° |
| C16 | C17 | O7 | N8 | 179.0° | 179.9° |
| C17 | C16 | C18 | C19 | 60.9° | 52.6° |
| C17 | C16 | C18 | H26 | 60.0° | 67.4° |
| C17 | C16 | C18 | H27 | 178.1° | 172.6° |
| C16 | C17 | N8 | C22 | 173.8° | 179.8° |
| C16 | C17 | N8 | H37 | 6.2° | 0.2° |
| C17 | C16 | N4 | C12 | 65.4° | 126.0° |
| C18 | C16 | C17 | O7 | 70.5° | 149.9° |
| C16 | C18 | C19 | H26 | 120.9° | 120.0° |
| C16 | C18 | C19 | H27 | 120.9° | 120.1° |
| C16 | C18 | H26 | H27 | 117.1° | 120.0° |
| C16 | C18 | C19 | C20 | 177.9° | 173.8° |
| C16 | C18 | C19 | H28 | 57.6° | 53.7° |
| C16 | C18 | C19 | H29 | 61.9° | 66.2° |
| C18 | C16 | N4 | C12 | 168.0° | 6.2° |
| C18 | C16 | C17 | N8 | 108.5° | 30.2° |
| H25 | C16 | C17 | O7 | 44.5° | 89.5° |
| H25 | C16 | C18 | C19 | 175.9° | 173.1° |
| H25 | C16 | C18 | H26 | 55.0° | 53.1° |
| H25 | C16 | C18 | H27 | 63.1° | 66.9° |
| H25 | C16 | N4 | C12 | 52.4° | 114.3° |
| H25 | C16 | C17 | N8 | 136.5° | 90.4° |
| O7 | C17 | N8 | C22 | 7.2° | 0.3° |
| O7 | C17 | N8 | H37 | 172.8° | 179.7° |
| C19 | C18 | H26 | H27 | 117.1° | 120.0° |
| C18 | C19 | C20 | H28 | 120.2° | 120.0° |
| C18 | C19 | C20 | H29 | 120.2° | 120.0° |
| C18 | C19 | H28 | H29 | 119.3° | 119.9° |
| C18 | C19 | C20 | N5 | 169.3° | 180.0° |
| C18 | C19 | C20 | H30 | 70.3° | 60.0° |
| C18 | C19 | C20 | H31 | 49.0° | 60.1° |
| H26 | C18 | C19 | C20 | 61.2° | 66.2° |
| H26 | C18 | C19 | H28 | 178.5° | 173.7° |
| H26 | C18 | C19 | H29 | 59.0° | 53.8° |
| H27 | C18 | C19 | C20 | 56.9° | 53.7° |
| H27 | C18 | C19 | H28 | 63.3° | 66.3° |
| H27 | C18 | C19 | H29 | 177.2° | 173.8° |
| C20 | C19 | H28 | H29 | 119.3° | 120.1° |
| C19 | C20 | N5 | H30 | 120.3° | 120.0° |
| C19 | C20 | N5 | H31 | 120.3° | 119.9° |
| C19 | C20 | H30 | H31 | 119.0° | 120.0° |
| C19 | C20 | N5 | C21 | 75.8° | 180.0° |
| C19 | C20 | N5 | H32 | 104.1° | 0.0° |
| H28 | C19 | C20 | N5 | 49.1° | 60.0° |
| H28 | C19 | C20 | H30 | 169.4° | 180.0° |
| H28 | C19 | C20 | H31 | 71.2° | 59.9° |
| H29 | C19 | C20 | N5 | 70.4° | 60.1° |
| H29 | C19 | C20 | H30 | 49.9° | 59.9° |
| H29 | C19 | C20 | H31 | 169.2° | 180.0° |
| N5 | C20 | H30 | H31 | 119.1° | 120.0° |
| C20 | N5 | C21 | H32 | 180.0° | 180.0° |
| C20 | N5 | C21 | N6 | 0.3° | 0.0° |
| C20 | N5 | C21 | N7 | 179.0° | 180.0° |
| H30 | C20 | N5 | C21 | 163.9° | 60.0° |
| H30 | C20 | N5 | H32 | 16.2° | 120.0° |
| H31 | C20 | N5 | C21 | 44.5° | 60.0° |
| H31 | C20 | N5 | H32 | 135.6° | 120.0° |
| N5 | C21 | N6 | N7 | 179.3° | 180.0° |
| N5 | C21 | N6 | H33 | 179.3° | 0.0° |
| N5 | C21 | N6 | H34 | 0.7° | 180.0° |
| N5 | C21 | N7 | H35 | 179.3° | 180.0° |
| N5 | C21 | N7 | H36 | 0.7° | 0.0° |
| H32 | N5 | C21 | N6 | 179.8° | 180.0° |
| H32 | N5 | C21 | N7 | 0.9° | 0.0° |
| C21 | N6 | H33 | H34 | 180.0° | 179.9° |
| N6 | C21 | N7 | H35 | 0.0° | 0.1° |
| N6 | C21 | N7 | H36 | 180.0° | 180.0° |
| N7 | C21 | N6 | H33 | 0.0° | 180.0° |
| N7 | C21 | N6 | H34 | 180.0° | 0.1° |
| C21 | N7 | H35 | H36 | 180.0° | 179.9° |
| C22 | N8 | H37 | C17 | 180.0° | 180.0° |
| N8 | C22 | C23 | C24 | 125.5° | 119.8° |
| N8 | C22 | C23 | H38 | 118.3° | 119.8° |
| N8 | C22 | C24 | H38 | 116.8° | 120.3° |
| N8 | C22 | C23 | O8 | 177.5° | 24.0° |
| N8 | C22 | C24 | C25 | 68.9° | 65.0° |
| N8 | C22 | C24 | H39 | 51.7° | 55.0° |
| N8 | C22 | C24 | H40 | 170.5° | 175.0° |
| N8 | C22 | C23 | N9 | 3.8° | 156.0° |
| H37 | N8 | C22 | C23 | 76.1° | 58.7° |
| H37 | N8 | C22 | C24 | 49.6° | 61.1° |
| H37 | N8 | C22 | H38 | 166.0° | 178.5° |
| C23 | C22 | C24 | H38 | 116.2° | 120.3° |
| C22 | C23 | O8 | N9 | 178.5° | 180.0° |
| C23 | C22 | C24 | C25 | 164.1° | 175.7° |
| C23 | C22 | C24 | H39 | 75.3° | 64.4° |
| C23 | C22 | C24 | H40 | 43.5° | 55.6° |
| C22 | C23 | N9 | C31 | 175.4° | 179.9° |
| C22 | C23 | N9 | H46 | 4.6° | 0.2° |
| C23 | C22 | N8 | C17 | 103.9° | 121.3° |
| C24 | C22 | C23 | O8 | 52.1° | 95.8° |
| C22 | C24 | C25 | H39 | 120.6° | 120.0° |
| C22 | C24 | C25 | H40 | 120.6° | 120.0° |
| C22 | C24 | H39 | H40 | 118.2° | 120.0° |
| C22 | C24 | C25 | C26 | 78.2° | 90.0° |
| C22 | C24 | C25 | C27 | 101.2° | 90.3° |
| C24 | C22 | N8 | C17 | 130.4° | 118.9° |
| C24 | C22 | C23 | N9 | 129.3° | 84.2° |
| H38 | C22 | C23 | O8 | 64.2° | 143.8° |
| H38 | C22 | C24 | C25 | 47.9° | 55.4° |
| H38 | C22 | C24 | H39 | 168.5° | 175.3° |
| H38 | C22 | C24 | H40 | 72.7° | 64.6° |
| H38 | C22 | N8 | C17 | 14.0° | 1.5° |
| H38 | C22 | C23 | N9 | 114.5° | 36.2° |
| O8 | C23 | N9 | C31 | 3.2° | 0.1° |
| O8 | C23 | N9 | H46 | 176.8° | 179.9° |
| C25 | C24 | H39 | H40 | 118.2° | 120.0° |
| C24 | C25 | C26 | C27 | 179.4° | 179.7° |
| C24 | C25 | C26 | C28 | 178.9° | 180.0° |
| C24 | C25 | C26 | H41 | 1.2° | 0.1° |
| C24 | C25 | C27 | C29 | 179.2° | 180.0° |
| C24 | C25 | C27 | H42 | 0.8° | 0.0° |
| H39 | C24 | C25 | C26 | 161.2° | 30.0° |
| H39 | C24 | C25 | C27 | 19.4° | 149.7° |
| H40 | C24 | C25 | C26 | 42.4° | 150.0° |
| H40 | C24 | C25 | C27 | 138.2° | 29.7° |
| C25 | C26 | C28 | H41 | 180.0° | 179.9° |
| C26 | C25 | C27 | C29 | 0.2° | 0.3° |
| C26 | C25 | C27 | H42 | 179.8° | 179.7° |
| C25 | C26 | C28 | C30 | 0.6° | 0.1° |
| C25 | C26 | C28 | H43 | 179.4° | 179.9° |
| C27 | C25 | C26 | C28 | 0.6° | 0.3° |
| C27 | C25 | C26 | H41 | 179.4° | 179.8° |
| C25 | C27 | C29 | H42 | 180.0° | 179.9° |
| C25 | C27 | C29 | C30 | 0.1° | 0.0° |
| C25 | C27 | C29 | H44 | 179.9° | 180.0° |
| C26 | C28 | C30 | H43 | 180.0° | 180.0° |
| C26 | C28 | C30 | C29 | 0.3° | 0.2° |
| C26 | C28 | C30 | H45 | 179.8° | 180.0° |
| H41 | C26 | C28 | C30 | 179.4° | 180.0° |
| H41 | C26 | C28 | H43 | 0.6° | 0.0° |
| C27 | C29 | C30 | C28 | 0.1° | 0.2° |
| C27 | C29 | C30 | H44 | 180.0° | 180.0° |
| C27 | C29 | C30 | H45 | 179.9° | 180.0° |
| H42 | C27 | C29 | C30 | 179.9° | 179.9° |
| H42 | C27 | C29 | H44 | 0.1° | 0.0° |
| C28 | C30 | C29 | H45 | 180.0° | 179.8° |
| C28 | C30 | C29 | H44 | 179.9° | 179.7° |
| H43 | C28 | C30 | C29 | 179.8° | 179.8° |
| H43 | C28 | C30 | H45 | 0.2° | 0.0° |
| H44 | C29 | C30 | H45 | 0.1° | 0.1° |
| C31 | N9 | H46 | C23 | 180.0° | 179.9° |
| N9 | C31 | C32 | C33 | 121.2° | 119.1° |
| N9 | C31 | C32 | H47 | 119.8° | 120.3° |
| N9 | C31 | C33 | H47 | 120.1° | 119.8° |
| N9 | C31 | C32 | O9 | 54.6° | 20.0° |
| N9 | C31 | C33 | S2 | 169.4° | 135.6° |
| N9 | C31 | C33 | H48 | 69.7° | 15.6° |
| N9 | C31 | C33 | H49 | 48.6° | 104.4° |
| N9 | C31 | C32 | N10 | 125.4° | 160.0° |
| H46 | N9 | C31 | C32 | 94.6° | 59.1° |
| H46 | N9 | C31 | C33 | 26.6° | 60.7° |
| H46 | N9 | C31 | H47 | 146.1° | 179.4° |
| C32 | C31 | C33 | H47 | 119.1° | 120.4° |
| C31 | C32 | O9 | N10 | 180.0° | 180.0° |
| C32 | C31 | C33 | S2 | 48.7° | 104.6° |
| C32 | C31 | C33 | H48 | 169.5° | 135.4° |
| C32 | C31 | C33 | H49 | 72.2° | 15.3° |
| C31 | C32 | N10 | C34 | 178.5° | 175.0° |
| C31 | C32 | N10 | H50 | 1.5° | 5.1° |
| C32 | C31 | N9 | C23 | 85.4° | 120.9° |
| C33 | C31 | C32 | O9 | 66.6° | 99.1° |
| C31 | C33 | S2 | H48 | 120.8° | 120.0° |
| C31 | C33 | S2 | H49 | 120.9° | 120.0° |
| C31 | C33 | H48 | H49 | 117.3° | 120.1° |
| C33 | C31 | N9 | C23 | 153.4° | 119.4° |
| C33 | C31 | C32 | N10 | 113.4° | 80.9° |
| C31 | C33 | S2 | C102 | 74.6° | 130.8° |
| H47 | C31 | C32 | O9 | 174.4° | 140.3° |
| H47 | C31 | C33 | S2 | 70.4° | 15.8° |
| H47 | C31 | C33 | H48 | 50.4° | 104.1° |
| H47 | C31 | C33 | H49 | 168.7° | 135.8° |
| H47 | C31 | N9 | C23 | 33.9° | 0.5° |
| H47 | C31 | C32 | N10 | 5.6° | 39.6° |
| O9 | C32 | N10 | C34 | 1.5° | 5.0° |
| O9 | C32 | N10 | H50 | 178.5° | 174.9° |
| S2 | C33 | H48 | H49 | 117.4° | 120.0° |
| C33 | S2 | C102 | C98 | 62.3° | 157.0° |
| C33 | S2 | C102 | H131 | 59.3° | 36.9° |
| C33 | S2 | C102 | H132 | 176.1° | 83.1° |
| H48 | C33 | S2 | C102 | 46.2° | 109.2° |
| H49 | C33 | S2 | C102 | 164.5° | 10.9° |
| C34 | N10 | H50 | C32 | 180.0° | 179.9° |
| N10 | C34 | C35 | C36 | 126.7° | 120.0° |
| N10 | C34 | C35 | H51 | 118.0° | 120.0° |
| N10 | C34 | C36 | H51 | 115.9° | 120.0° |
| N10 | C34 | C35 | O10 | 145.3° | 0.0° |
| N10 | C34 | C36 | C37 | 64.2° | 62.8° |
| N10 | C34 | C36 | H52 | 56.3° | 57.2° |
| N10 | C34 | C36 | H53 | 175.3° | 177.2° |
| N10 | C34 | C35 | N11 | 35.8° | 180.0° |
| H50 | N10 | C34 | C35 | 121.1° | 99.0° |
| H50 | N10 | C34 | C36 | 111.9° | 21.0° |
| H50 | N10 | C34 | H51 | 3.5° | 141.1° |
| C35 | C34 | C36 | H51 | 115.3° | 120.0° |
| C34 | C35 | O10 | N11 | 178.9° | 179.9° |
| C35 | C34 | C36 | C37 | 167.0° | 177.2° |
| C35 | C34 | C36 | H52 | 72.5° | 62.8° |
| C35 | C34 | C36 | H53 | 46.5° | 57.2° |
| C34 | C35 | N11 | C38 | 173.6° | 180.0° |
| C34 | C35 | N11 | H55 | 6.4° | 0.1° |
| C35 | C34 | N10 | C32 | 58.9° | 80.9° |
| C36 | C34 | C35 | O10 | 18.6° | 120.0° |
| C34 | C36 | C37 | H52 | 120.5° | 120.0° |
| C34 | C36 | C37 | H53 | 120.5° | 120.0° |
| C34 | C36 | H52 | H53 | 118.5° | 120.0° |
| C34 | C36 | C37 | O11 | 35.3° | 4.8° |
| C34 | C36 | C37 | O12 | 145.6° | 175.2° |
| C36 | C34 | N10 | C32 | 68.1° | 159.1° |
| C36 | C34 | C35 | N11 | 162.5° | 59.9° |
| H51 | C34 | C35 | O10 | 96.7° | 120.0° |
| H51 | C34 | C36 | C37 | 51.7° | 57.2° |
| H51 | C34 | C36 | H52 | 172.2° | 177.2° |
| H51 | C34 | C36 | H53 | 68.8° | 62.8° |
| H51 | C34 | N10 | C32 | 176.5° | 39.0° |
| H51 | C34 | C35 | N11 | 82.2° | 60.1° |
| O10 | C35 | N11 | C38 | 5.3° | 0.1° |
| O10 | C35 | N11 | H55 | 174.7° | 180.0° |
| C37 | C36 | H52 | H53 | 118.5° | 120.1° |
| C36 | C37 | O11 | O12 | 179.1° | 180.0° |
| C36 | C37 | O12 | H54 | 179.1° | 180.0° |
| H52 | C36 | C37 | O11 | 155.7° | 115.2° |
| H52 | C36 | C37 | O12 | 25.1° | 64.8° |
| H53 | C36 | C37 | O11 | 85.3° | 124.8° |
| H53 | C36 | C37 | O12 | 93.9° | 55.2° |
| O11 | C37 | O12 | H54 | 0.0° | 0.0° |
| C38 | N11 | H55 | C35 | 180.0° | 179.9° |
| N11 | C38 | C39 | C43 | 123.1° | 120.0° |
| N11 | C38 | C39 | H56 | 119.2° | 120.0° |
| N11 | C38 | C43 | H56 | 117.7° | 120.0° |
| N11 | C38 | C39 | C40 | 175.7° | 64.6° |
| N11 | C38 | C39 | C41 | 53.9° | 175.4° |
| N11 | C38 | C39 | C42 | 66.0° | 55.5° |
| N11 | C38 | C43 | O13 | 38.4° | 11.2° |
| N11 | C38 | C43 | N12 | 140.7° | 168.8° |
| H55 | N11 | C38 | C39 | 15.5° | 95.0° |
| H55 | N11 | C38 | C43 | 108.4° | 25.0° |
| H55 | N11 | C38 | H56 | 134.2° | 145.0° |
| C39 | C38 | C43 | H56 | 117.5° | 120.0° |
| C38 | C39 | C40 | C41 | 123.9° | 120.0° |
| C38 | C39 | C40 | C42 | 118.3° | 120.0° |
| C38 | C39 | C41 | C42 | 119.6° | 120.0° |
| C38 | C39 | C40 | H57 | 180.0° | 55.2° |
| C38 | C39 | C40 | H58 | 60.0° | 175.2° |
| C38 | C39 | C40 | H59 | 60.0° | 64.8° |
| C38 | C39 | C41 | H60 | 180.0° | 58.3° |
| C38 | C39 | C41 | H61 | 60.0° | 178.3° |
| C38 | C39 | C41 | H62 | 60.0° | 61.6° |
| C38 | C39 | C42 | H63 | 180.0° | 60.1° |
| C38 | C39 | C42 | H64 | 60.0° | 180.0° |
| C38 | C39 | C42 | H65 | 60.0° | 60.0° |
| C39 | C38 | C43 | O13 | 86.4° | 108.8° |
| C39 | C38 | N11 | C35 | 164.5° | 85.0° |
| C39 | C38 | C43 | N12 | 94.5° | 71.3° |
| C43 | C38 | C39 | C40 | 52.6° | 55.4° |
| C43 | C38 | C39 | C41 | 69.2° | 64.6° |
| C43 | C38 | C39 | C42 | 170.9° | 175.4° |
| C38 | C43 | O13 | N12 | 179.1° | 180.0° |
| C38 | C43 | N12 | C44 | 177.0° | 175.3° |
| C38 | C43 | N12 | H66 | 3.1° | 4.8° |
| C43 | C38 | N11 | C35 | 71.6° | 155.1° |
| H56 | C38 | C39 | C40 | 65.1° | 175.4° |
| H56 | C38 | C39 | C41 | 173.1° | 55.4° |
| H56 | C38 | C39 | C42 | 53.2° | 64.5° |
| H56 | C38 | C43 | O13 | 156.0° | 131.2° |
| H56 | C38 | N11 | C35 | 45.8° | 35.0° |
| H56 | C38 | C43 | N12 | 23.1° | 48.8° |
| C40 | C39 | C41 | C42 | 117.6° | 120.0° |
| C39 | C40 | H57 | H58 | 120.0° | 120.0° |
| C39 | C40 | H57 | H59 | 120.0° | 120.0° |
| C39 | C40 | H58 | H59 | 120.0° | 120.0° |
| C40 | C39 | C41 | H60 | 57.2° | 178.3° |
| C40 | C39 | C41 | H61 | 177.2° | 61.7° |
| C40 | C39 | C41 | H62 | 62.8° | 58.4° |
| C40 | C39 | C42 | H63 | 60.2° | 59.9° |
| C40 | C39 | C42 | H64 | 59.8° | 60.0° |
| C40 | C39 | C42 | H65 | 179.8° | 180.0° |
| C41 | C39 | C40 | H57 | 56.0° | 64.8° |
| C41 | C39 | C40 | H58 | 64.0° | 55.2° |
| C41 | C39 | C40 | H59 | 176.0° | 175.2° |
| C39 | C41 | H60 | H61 | 120.0° | 120.0° |
| C39 | C41 | H60 | H62 | 120.0° | 119.9° |
| C39 | C41 | H61 | H62 | 120.0° | 120.0° |
| C41 | C39 | C42 | H63 | 57.7° | 180.0° |
| C41 | C39 | C42 | H64 | 177.7° | 60.1° |
| C41 | C39 | C42 | H65 | 62.3° | 60.0° |
| C42 | C39 | C40 | H57 | 61.7° | 175.2° |
| C42 | C39 | C40 | H58 | 178.3° | 64.8° |
| C42 | C39 | C40 | H59 | 58.2° | 55.2° |
| C42 | C39 | C41 | H60 | 60.4° | 61.6° |
| C42 | C39 | C41 | H61 | 59.6° | 58.4° |
| C42 | C39 | C41 | H62 | 179.6° | 178.4° |
| C39 | C42 | H63 | H64 | 120.0° | 119.9° |
| C39 | C42 | H63 | H65 | 120.0° | 120.0° |
| C39 | C42 | H64 | H65 | 120.0° | 120.0° |
| H57 | C40 | H58 | H59 | 120.0° | 120.0° |
| H60 | C41 | H61 | H62 | 120.0° | 120.0° |
| H63 | C42 | H64 | H65 | 120.0° | 120.1° |
| O13 | C43 | N12 | C44 | 4.0° | 4.8° |
| O13 | C43 | N12 | H66 | 176.0° | 175.2° |
| C44 | N12 | H66 | C43 | 180.0° | 179.9° |
| N12 | C44 | C45 | C46 | 124.4° | 120.0° |
| N12 | C44 | C45 | H67 | 118.8° | 120.0° |
| N12 | C44 | C46 | H67 | 118.0° | 119.9° |
| N12 | C44 | C45 | O14 | 17.8° | 1.9° |
| N12 | C44 | C46 | C47 | 63.2° | 65.0° |
| N12 | C44 | C46 | H68 | 175.9° | 55.0° |
| N12 | C44 | C46 | H69 | 57.6° | 175.1° |
| N12 | C44 | C45 | N13 | 161.6° | 178.2° |
| H66 | N12 | C44 | C45 | 35.2° | 30.6° |
| H66 | N12 | C44 | C46 | 88.9° | 89.4° |
| H66 | N12 | C44 | H67 | 153.6° | 150.6° |
| C45 | C44 | C46 | H67 | 116.9° | 120.0° |
| C44 | C45 | O14 | N13 | 179.5° | 180.0° |
| C45 | C44 | C46 | C47 | 61.8° | 175.0° |
| C45 | C44 | C46 | H68 | 59.0° | 65.0° |
| C45 | C44 | C46 | H69 | 177.4° | 55.0° |
| C44 | C45 | N13 | C53 | 178.0° | 176.3° |
| C44 | C45 | N13 | H75 | 2.0° | 3.6° |
| C45 | C44 | N12 | C43 | 144.8° | 149.4° |
| C46 | C44 | C45 | O14 | 106.5° | 118.2° |
| C44 | C46 | C47 | H68 | 120.8° | 120.0° |
| C44 | C46 | C47 | H69 | 120.8° | 120.0° |
| C44 | C46 | H68 | H69 | 117.5° | 120.0° |
| C44 | C46 | C47 | C48 | 79.1° | 90.0° |
| C44 | C46 | C47 | C49 | 101.0° | 90.3° |
| C46 | C44 | N12 | C43 | 91.1° | 90.5° |
| C46 | C44 | C45 | N13 | 74.0° | 61.8° |
| H67 | C44 | C45 | O14 | 136.6° | 121.8° |
| H67 | C44 | C46 | C47 | 178.8° | 55.0° |
| H67 | C44 | C46 | H68 | 57.9° | 175.0° |
| H67 | C44 | C46 | H69 | 60.4° | 65.0° |
| H67 | C44 | N12 | C43 | 26.5° | 29.4° |
| H67 | C44 | C45 | N13 | 42.9° | 58.2° |
| O14 | C45 | N13 | C53 | 2.5° | 3.7° |
| O14 | C45 | N13 | H75 | 177.5° | 176.4° |
| C47 | C46 | H68 | H69 | 117.4° | 120.0° |
| C46 | C47 | C48 | C49 | 179.9° | 179.7° |
| C46 | C47 | C48 | C50 | 179.8° | 180.0° |
| C46 | C47 | C48 | H70 | 0.2° | 0.1° |
| C46 | C47 | C49 | C51 | 179.8° | 180.0° |
| C46 | C47 | C49 | H71 | 0.2° | 0.0° |
| H68 | C46 | C47 | C48 | 160.0° | 30.0° |
| H68 | C46 | C47 | C49 | 19.8° | 149.7° |
| H69 | C46 | C47 | C48 | 41.7° | 150.0° |
| H69 | C46 | C47 | C49 | 138.2° | 29.7° |
| C47 | C48 | C50 | H70 | 180.0° | 179.9° |
| C48 | C47 | C49 | C51 | 0.0° | 0.3° |
| C48 | C47 | C49 | H71 | 179.9° | 179.7° |
| C47 | C48 | C50 | C52 | 0.5° | 0.0° |
| C47 | C48 | C50 | H72 | 179.5° | 179.9° |
| C49 | C47 | C48 | C50 | 0.3° | 0.3° |
| C49 | C47 | C48 | H70 | 179.7° | 179.8° |
| C47 | C49 | C51 | H71 | 180.0° | 180.0° |
| C47 | C49 | C51 | C52 | 0.1° | 0.0° |
| C47 | C49 | C51 | H73 | 179.9° | 180.0° |
| C48 | C50 | C52 | H72 | 180.0° | 180.0° |
| C48 | C50 | C52 | C51 | 0.4° | 0.3° |
| C48 | C50 | C52 | O15 | 179.8° | 180.0° |
| H70 | C48 | C50 | C52 | 179.4° | 179.9° |
| H70 | C48 | C50 | H72 | 0.6° | 0.0° |
| C49 | C51 | C52 | C50 | 0.1° | 0.3° |
| C49 | C51 | C52 | H73 | 180.0° | 180.0° |
| C49 | C51 | C52 | O15 | 179.5° | 180.0° |
| H71 | C49 | C51 | C52 | 179.8° | 180.0° |
| H71 | C49 | C51 | H73 | 0.2° | 0.0° |
| C50 | C52 | C51 | O15 | 179.3° | 179.7° |
| C50 | C52 | C51 | H73 | 179.9° | 179.7° |
| C50 | C52 | O15 | H74 | 180.0° | 90.0° |
| H72 | C50 | C52 | C51 | 179.5° | 179.7° |
| H72 | C50 | C52 | O15 | 0.2° | 0.0° |
| C51 | C52 | O15 | H74 | 0.7° | 89.8° |
| H73 | C51 | C52 | O15 | 0.6° | 0.1° |
| C53 | N13 | H75 | C45 | 180.0° | 180.0° |
| N13 | C53 | C54 | C62 | 120.1° | 120.0° |
| N13 | C53 | C54 | H76 | 120.6° | 119.9° |
| N13 | C53 | C62 | H76 | 119.5° | 120.0° |
| N13 | C53 | C54 | C55 | 68.9° | 65.3° |
| N13 | C53 | C54 | H77 | 51.2° | 54.7° |
| N13 | C53 | C54 | H78 | 170.9° | 174.7° |
| N13 | C53 | C62 | O16 | 51.8° | 0.0° |
| N13 | C53 | C62 | N16 | 126.7° | 179.9° |
| H75 | N13 | C53 | C54 | 15.6° | 82.3° |
| H75 | N13 | C53 | C62 | 105.2° | 37.7° |
| H75 | N13 | C53 | H76 | 135.7° | 157.7° |
| C54 | C53 | C62 | H76 | 119.2° | 120.0° |
| C53 | C54 | C55 | H77 | 120.2° | 119.9° |
| C53 | C54 | C55 | H78 | 120.2° | 120.0° |
| C53 | C54 | H77 | H78 | 119.4° | 120.0° |
| C53 | C54 | C55 | C56 | 92.7° | 87.9° |
| C53 | C54 | C55 | C57 | 86.7° | 91.9° |
| C54 | C53 | C62 | O16 | 69.5° | 120.0° |
| C54 | C53 | N13 | C45 | 164.4° | 97.6° |
| C54 | C53 | C62 | N16 | 112.0° | 60.0° |
| C62 | C53 | C54 | C55 | 171.0° | 174.7° |
| C62 | C53 | C54 | H77 | 68.8° | 65.4° |
| C62 | C53 | C54 | H78 | 50.8° | 54.7° |
| C53 | C62 | O16 | N16 | 178.4° | 179.9° |
| C53 | C62 | N16 | C63 | 178.0° | 180.0° |
| C53 | C62 | N16 | H84 | 2.0° | 0.1° |
| C62 | C53 | N13 | C45 | 74.8° | 142.3° |
| H76 | C53 | C54 | C55 | 51.6° | 54.6° |
| H76 | C53 | C54 | H77 | 171.8° | 174.6° |
| H76 | C53 | C54 | H78 | 68.5° | 65.4° |
| H76 | C53 | C62 | O16 | 171.3° | 119.9° |
| H76 | C53 | N13 | C45 | 44.3° | 22.3° |
| H76 | C53 | C62 | N16 | 7.2° | 60.0° |
| C55 | C54 | H77 | H78 | 119.4° | 120.0° |
| C54 | C55 | C56 | C57 | 179.5° | 179.8° |
| C54 | C55 | C56 | N14 | 179.9° | 180.0° |
| C54 | C55 | C56 | H79 | 0.1° | 0.0° |
| C54 | C55 | C57 | C58 | 179.8° | 180.0° |
| C54 | C55 | C57 | C59 | 0.4° | 0.0° |
| H77 | C54 | C55 | C56 | 27.5° | 152.2° |
| H77 | C54 | C55 | C57 | 153.1° | 28.1° |
| H78 | C54 | C55 | C56 | 147.2° | 32.1° |
| H78 | C54 | C55 | C57 | 33.5° | 148.2° |
| C55 | C56 | N14 | H79 | 180.0° | 180.0° |
| C56 | C55 | C57 | C58 | 0.7° | 0.2° |
| C56 | C55 | C57 | C59 | 179.0° | 179.8° |
| C55 | C56 | N14 | C58 | 0.1° | 0.1° |
| C55 | C56 | N14 | H80 | 179.9° | 180.0° |
| C57 | C55 | C56 | N14 | 0.4° | 0.2° |
| C57 | C55 | C56 | H79 | 179.6° | 179.7° |
| C55 | C57 | C58 | C59 | 179.8° | 180.0° |
| C55 | C57 | C58 | N14 | 0.9° | 0.1° |
| C55 | C57 | C58 | N15 | 179.4° | 180.0° |
| C55 | C57 | C59 | C61 | 179.7° | 180.0° |
| C55 | C57 | C59 | H81 | 0.3° | 0.0° |
| C56 | N14 | C58 | C57 | 0.6° | 0.0° |
| C56 | N14 | C58 | H80 | 180.0° | 179.8° |
| C56 | N14 | C58 | N15 | 178.8° | 179.8° |
| H79 | C56 | N14 | C58 | 179.8° | 179.8° |
| H79 | C56 | N14 | H80 | 0.2° | 0.0° |
| C57 | C58 | N14 | N15 | 178.2° | 179.8° |
| C57 | C58 | N14 | H80 | 179.4° | 179.8° |
| C58 | C57 | C59 | C61 | 0.0° | 0.0° |
| C58 | C57 | C59 | H81 | 179.9° | 180.0° |
| C57 | C58 | N15 | C60 | 0.9° | 0.0° |
| C59 | C57 | C58 | N14 | 179.0° | 179.9° |
| C59 | C57 | C58 | N15 | 0.4° | 0.0° |
| C57 | C59 | C61 | H81 | 180.0° | 180.0° |
| C57 | C59 | C61 | C60 | 0.1° | 0.0° |
| C57 | C59 | C61 | H83 | 179.9° | 179.9° |
| N14 | C58 | N15 | C60 | 178.9° | 179.8° |
| H80 | N14 | C58 | N15 | 1.2° | 0.0° |
| C58 | N15 | C60 | C61 | 1.0° | 0.0° |
| C58 | N15 | C60 | H82 | 179.0° | 180.0° |
| C59 | C61 | C60 | N15 | 0.6° | 0.1° |
| C59 | C61 | C60 | H83 | 180.0° | 180.0° |
| C59 | C61 | C60 | H82 | 179.5° | 180.0° |
| H81 | C59 | C61 | C60 | 179.9° | 179.9° |
| H81 | C59 | C61 | H83 | 0.1° | 0.1° |
| N15 | C60 | C61 | H82 | 180.0° | 180.0° |
| N15 | C60 | C61 | H83 | 179.4° | 179.9° |
| H82 | C60 | C61 | H83 | 0.5° | 0.0° |
| O16 | C62 | N16 | C63 | 0.5° | 0.1° |
| O16 | C62 | N16 | H84 | 179.5° | 180.0° |
| C63 | N16 | H84 | C62 | 180.0° | 179.9° |
| N16 | C63 | C64 | C65 | 124.8° | 120.0° |
| N16 | C63 | C64 | H85 | 118.6° | 120.0° |
| N16 | C63 | C65 | H85 | 117.4° | 120.1° |
| N16 | C63 | C64 | O17 | 147.3° | 0.0° |
| N16 | C63 | C65 | C66 | 168.8° | 65.0° |
| N16 | C63 | C65 | H86 | 48.1° | 55.0° |
| N16 | C63 | C65 | H87 | 70.6° | 175.0° |
| N16 | C63 | C64 | N17 | 32.7° | 180.0° |
| H84 | N16 | C63 | C64 | 114.6° | 24.9° |
| H84 | N16 | C63 | C65 | 10.2° | 95.1° |
| H84 | N16 | C63 | H85 | 127.2° | 144.9° |
| C64 | C63 | C65 | H85 | 116.6° | 120.0° |
| C63 | C64 | O17 | N17 | 180.0° | 180.0° |
| C64 | C63 | C65 | C66 | 65.2° | 175.0° |
| C64 | C63 | C65 | H86 | 174.1° | 65.0° |
| C64 | C63 | C65 | H87 | 55.4° | 55.0° |
| C63 | C64 | N17 | C68 | 174.0° | 180.0° |
| C63 | C64 | N17 | H91 | 6.0° | 0.0° |
| C64 | C63 | N16 | C62 | 65.3° | 155.0° |
| C65 | C63 | C64 | O17 | 87.9° | 120.0° |
| C63 | C65 | C66 | H86 | 120.7° | 120.0° |
| C63 | C65 | C66 | H87 | 120.7° | 120.0° |
| C63 | C65 | H86 | H87 | 117.9° | 120.0° |
| C63 | C65 | C66 | C67 | 162.7° | 180.0° |
| C63 | C65 | C66 | H88 | 76.6° | 60.0° |
| C63 | C65 | C66 | H89 | 42.0° | 60.0° |
| C65 | C63 | N16 | C62 | 169.8° | 85.1° |
| C65 | C63 | C64 | N17 | 92.1° | 60.0° |
| H85 | C63 | C64 | O17 | 28.7° | 120.0° |
| H85 | C63 | C65 | C66 | 51.3° | 55.0° |
| H85 | C63 | C65 | H86 | 69.3° | 175.0° |
| H85 | C63 | C65 | H87 | 172.0° | 65.0° |
| H85 | C63 | N16 | C62 | 52.8° | 35.0° |
| H85 | C63 | C64 | N17 | 151.3° | 59.9° |
| O17 | C64 | N17 | C68 | 6.0° | 0.0° |
| O17 | C64 | N17 | H91 | 174.0° | 180.0° |
| C66 | C65 | H86 | H87 | 117.9° | 120.0° |
| C65 | C66 | C67 | H88 | 120.7° | 120.0° |
| C65 | C66 | C67 | H89 | 120.7° | 120.0° |
| C65 | C66 | H88 | H89 | 118.0° | 120.0° |
| C65 | C66 | C67 | O18 | 24.2° | 0.0° |
| C65 | C66 | C67 | O19 | 155.5° | 180.0° |
| H86 | C65 | C66 | C67 | 42.0° | 60.0° |
| H86 | C65 | C66 | H88 | 162.7° | 180.0° |
| H86 | C65 | C66 | H89 | 78.6° | 60.0° |
| H87 | C65 | C66 | C67 | 76.6° | 60.0° |
| H87 | C65 | C66 | H88 | 44.0° | 60.1° |
| H87 | C65 | C66 | H89 | 162.7° | 180.0° |
| C67 | C66 | H88 | H89 | 118.0° | 120.0° |
| C66 | C67 | O18 | O19 | 179.7° | 179.9° |
| C66 | C67 | O19 | H90 | 179.7° | 180.0° |
| H88 | C66 | C67 | O18 | 96.4° | 120.0° |
| H88 | C66 | C67 | O19 | 83.8° | 60.0° |
| H89 | C66 | C67 | O18 | 144.9° | 120.0° |
| H89 | C66 | C67 | O19 | 34.8° | 60.0° |
| O18 | C67 | O19 | H90 | 0.0° | 0.1° |
| C68 | N17 | H91 | C64 | 180.0° | 180.0° |
| N17 | C68 | C69 | C70 | 120.4° | 120.0° |
| N17 | C68 | C69 | H92 | 119.6° | 120.0° |
| N17 | C68 | C70 | H92 | 121.5° | 120.0° |
| N17 | C68 | C69 | O20 | 95.2° | 25.6° |
| N17 | C68 | C70 | C71 | 66.2° | 63.5° |
| N17 | C68 | C70 | H93 | 54.5° | 56.4° |
| N17 | C68 | C70 | H94 | 173.2° | 176.4° |
| N17 | C68 | C69 | N18 | 83.7° | 154.3° |
| H91 | N17 | C68 | C69 | 59.3° | 25.0° |
| H91 | N17 | C68 | C70 | 60.9° | 95.0° |
| H91 | N17 | C68 | H92 | 178.2° | 145.0° |
| C69 | C68 | C70 | H92 | 120.1° | 120.0° |
| C68 | C69 | O20 | N18 | 178.9° | 179.9° |
| C69 | C68 | C70 | C71 | 175.4° | 176.4° |
| C69 | C68 | C70 | H93 | 64.0° | 63.6° |
| C69 | C68 | C70 | H94 | 54.7° | 56.4° |
| C68 | C69 | N18 | C77 | 174.9° | 175.3° |
| C68 | C69 | N18 | C81 | 10.9° | 4.5° |
| C69 | C68 | N17 | C64 | 120.7° | 155.0° |
| C70 | C68 | C69 | O20 | 25.1° | 94.5° |
| C68 | C70 | C71 | H93 | 120.7° | 120.0° |
| C68 | C70 | C71 | H94 | 120.7° | 120.1° |
| C68 | C70 | H93 | H94 | 118.0° | 120.1° |
| C68 | C70 | C71 | C72 | 75.5° | 90.0° |
| C68 | C70 | C71 | C73 | 103.6° | 90.3° |
| C70 | C68 | N17 | C64 | 119.1° | 85.0° |
| C70 | C68 | C69 | N18 | 155.9° | 85.6° |
| H92 | C68 | C69 | O20 | 145.2° | 145.6° |
| H92 | C68 | C70 | C71 | 55.3° | 56.5° |
| H92 | C68 | C70 | H93 | 175.9° | 176.4° |
| H92 | C68 | C70 | H94 | 65.4° | 63.6° |
| H92 | C68 | N17 | C64 | 1.8° | 35.0° |
| H92 | C68 | C69 | N18 | 35.9° | 34.3° |
| O20 | C69 | N18 | C77 | 3.9° | 4.6° |
| O20 | C69 | N18 | C81 | 170.2° | 175.6° |
| C71 | C70 | H93 | H94 | 118.0° | 120.0° |
| C70 | C71 | C72 | C73 | 179.1° | 179.7° |
| C70 | C71 | C72 | C74 | 179.3° | 180.0° |
| C70 | C71 | C72 | H95 | 0.7° | 0.1° |
| C70 | C71 | C73 | C75 | 179.3° | 179.9° |
| C70 | C71 | C73 | H96 | 0.7° | 0.0° |
| H93 | C70 | C71 | C72 | 45.1° | 30.0° |
| H93 | C70 | C71 | C73 | 135.8° | 149.7° |
| H94 | C70 | C71 | C72 | 163.8° | 149.9° |
| H94 | C70 | C71 | C73 | 17.1° | 29.8° |
| C71 | C72 | C74 | H95 | 180.0° | 179.9° |
| C72 | C71 | C73 | C75 | 0.2° | 0.3° |
| C72 | C71 | C73 | H96 | 179.8° | 179.7° |
| C71 | C72 | C74 | C76 | 0.1° | 0.0° |
| C71 | C72 | C74 | H97 | 180.0° | 180.0° |
| C73 | C71 | C72 | C74 | 0.2° | 0.3° |
| C73 | C71 | C72 | H95 | 179.8° | 179.8° |
| C71 | C73 | C75 | H96 | 180.0° | 179.9° |
| C71 | C73 | C75 | C76 | 0.2° | 0.1° |
| C71 | C73 | C75 | H98 | 179.8° | 180.0° |
| C72 | C74 | C76 | H97 | 180.0° | 179.9° |
| C72 | C74 | C76 | C75 | 0.4° | 0.4° |
| C72 | C74 | C76 | O21 | 179.8° | 180.0° |
| H95 | C72 | C74 | C76 | 179.9° | 179.9° |
| H95 | C72 | C74 | H97 | 0.0° | 0.0° |
| C73 | C75 | C76 | C74 | 0.5° | 0.4° |
| C73 | C75 | C76 | H98 | 180.0° | 180.0° |
| C73 | C75 | C76 | O21 | 179.7° | 179.9° |
| H96 | C73 | C75 | C76 | 179.8° | 180.0° |
| H96 | C73 | C75 | H98 | 0.1° | 0.1° |
| C74 | C76 | C75 | O21 | 179.8° | 179.7° |
| C74 | C76 | C75 | H98 | 179.6° | 179.7° |
| C74 | C76 | O21 | H99 | 180.0° | 90.0° |
| H97 | C74 | C76 | C75 | 179.6° | 179.7° |
| H97 | C74 | C76 | O21 | 0.2° | 0.0° |
| C75 | C76 | O21 | H99 | 0.2° | 89.7° |
| H98 | C75 | C76 | O21 | 0.3° | 0.0° |
| C77 | N18 | C81 | C69 | 174.5° | 179.8° |
| N18 | C77 | C78 | C79 | 115.0° | 117.8° |
| N18 | C77 | C78 | H100 | 123.3° | 121.1° |
| N18 | C77 | C79 | H100 | 118.2° | 119.5° |
| N18 | C77 | C78 | O22 | 47.7° | 0.0° |
| N18 | C77 | C79 | C80 | 28.4° | 22.2° |
| N18 | C77 | C79 | H101 | 147.6° | 140.5° |
| N18 | C77 | C79 | H102 | 90.7° | 96.1° |
| C77 | N18 | C81 | C80 | 6.8° | 24.5° |
| C77 | N18 | C81 | H105 | 112.3° | 94.5° |
| C77 | N18 | C81 | H106 | 125.8° | 143.2° |
| N18 | C77 | C78 | N19 | 130.8° | 180.0° |
| C81 | N18 | C77 | C78 | 106.3° | 120.7° |
| C81 | N18 | C77 | C79 | 13.4° | 1.3° |
| C81 | N18 | C77 | H100 | 130.9° | 118.3° |
| N18 | C81 | C80 | C79 | 25.2° | 37.3° |
| N18 | C81 | C80 | H105 | 119.1° | 118.9° |
| N18 | C81 | C80 | H106 | 119.1° | 118.8° |
| N18 | C81 | C80 | H103 | 94.3° | 80.8° |
| N18 | C81 | C80 | H104 | 144.7° | 155.3° |
| N18 | C81 | H105 | H106 | 122.6° | 122.3° |
| C78 | C77 | C79 | H100 | 121.7° | 121.1° |
| C77 | C78 | O22 | N19 | 178.3° | 180.0° |
| C78 | C77 | C79 | C80 | 91.7° | 97.2° |
| C78 | C77 | C79 | H101 | 27.5° | 21.1° |
| C78 | C77 | C79 | H102 | 149.1° | 144.5° |
| C77 | C78 | N19 | C83 | 177.7° | 180.0° |
| C77 | C78 | N19 | H110 | 2.3° | 0.1° |
| C78 | C77 | N18 | C69 | 68.7° | 59.5° |
| C79 | C77 | C78 | O22 | 67.3° | 117.8° |
| C77 | C79 | C80 | H101 | 119.1° | 118.4° |
| C77 | C79 | C80 | H102 | 119.2° | 118.3° |
| C77 | C79 | H101 | H102 | 122.5° | 123.3° |
| C77 | C79 | C80 | C81 | 33.6° | 35.6° |
| C77 | C79 | C80 | H103 | 85.9° | 82.6° |
| C77 | C79 | C80 | H104 | 153.2° | 153.6° |
| C79 | C77 | N18 | C69 | 171.5° | 178.9° |
| C79 | C77 | C78 | N19 | 114.3° | 62.2° |
| H100 | C77 | C78 | O22 | 171.0° | 121.1° |
| H100 | C77 | C79 | C80 | 146.6° | 141.7° |
| H100 | C77 | C79 | H101 | 94.2° | 100.0° |
| H100 | C77 | C79 | H102 | 27.4° | 23.4° |
| H100 | C77 | N18 | C69 | 54.0° | 61.5° |
| H100 | C77 | C78 | N19 | 7.4° | 58.9° |
| O22 | C78 | N19 | C83 | 0.7° | 0.0° |
| O22 | C78 | N19 | H110 | 179.3° | 180.0° |
| C80 | C79 | H101 | H102 | 122.5° | 123.2° |
| C79 | C80 | C81 | H103 | 119.5° | 118.1° |
| C79 | C80 | C81 | H104 | 119.5° | 118.0° |
| C79 | C80 | H103 | H104 | 121.4° | 123.8° |
| C79 | C80 | C81 | H105 | 93.9° | 81.6° |
| C79 | C80 | C81 | H106 | 144.2° | 156.1° |
| H101 | C79 | C80 | C81 | 152.8° | 154.0° |
| H101 | C79 | C80 | H103 | 33.2° | 35.7° |
| H101 | C79 | C80 | H104 | 87.7° | 88.0° |
| H102 | C79 | C80 | C81 | 85.5° | 82.7° |
| H102 | C79 | C80 | H103 | 154.9° | 159.0° |
| H102 | C79 | C80 | H104 | 34.0° | 35.3° |
| C81 | C80 | H103 | H104 | 121.5° | 124.0° |
| C80 | C81 | H105 | H106 | 122.7° | 122.3° |
| C80 | C81 | N18 | C69 | 167.8° | 155.7° |
| H103 | C80 | C81 | H105 | 146.6° | 160.3° |
| H103 | C80 | C81 | H106 | 24.7° | 38.0° |
| H104 | C80 | C81 | H105 | 25.6° | 36.4° |
| H104 | C80 | C81 | H106 | 96.3° | 86.0° |
| H105 | C81 | N18 | C69 | 73.2° | 85.3° |
| H106 | C81 | N18 | C69 | 48.7° | 37.0° |
| C86 | C87 | C88 | H112 | 180.0° | 179.9° |
| C87 | C86 | C85 | H111 | 180.0° | 180.0° |
| C86 | C87 | C88 | C89 | 0.9° | 0.1° |
| C87 | C86 | C85 | C83 | 179.0° | 180.0° |
| C87 | C86 | C85 | C90 | 1.1° | 0.2° |
| C86 | C87 | C88 | H113 | 179.1° | 180.0° |
| C88 | C87 | C86 | C85 | 0.0° | 0.0° |
| C87 | C88 | C89 | H113 | 180.0° | 180.0° |
| C87 | C88 | C89 | C90 | 0.7° | 0.1° |
| C88 | C87 | C86 | H111 | 180.0° | 180.0° |
| C87 | C88 | C89 | H114 | 179.3° | 180.0° |
| C86 | C85 | C83 | C82 | 32.7° | 120.2° |
| C86 | C85 | C83 | C90 | 177.8° | 179.8° |
| C86 | C85 | C90 | C89 | 1.3° | 0.4° |
| C86 | C85 | C83 | N19 | 148.8° | 0.3° |
| C86 | C85 | C83 | C84 | 89.1° | 119.8° |
| C85 | C86 | C87 | H112 | 179.9° | 180.0° |
| C86 | C85 | C90 | H115 | 178.7° | 179.7° |
| C82 | C83 | C85 | N19 | 116.2° | 120.0° |
| C82 | C83 | C85 | C84 | 121.7° | 120.0° |
| C82 | C83 | C85 | C90 | 149.5° | 60.0° |
| C82 | C83 | N19 | C84 | 122.7° | 120.0° |
| C82 | C83 | C84 | O23 | 14.8° | 25.0° |
| C83 | C82 | H107 | H108 | 120.0° | 120.0° |
| C83 | C82 | H107 | H109 | 120.0° | 120.0° |
| C83 | C82 | H108 | H109 | 119.9° | 120.0° |
| C82 | C83 | N19 | H110 | 105.8° | 120.0° |
| C82 | C83 | N19 | C78 | 74.2° | 60.0° |
| C82 | C83 | C84 | N20 | 165.3° | 155.0° |
| C88 | C89 | C90 | C85 | 0.5° | 0.4° |
| C88 | C89 | C90 | H114 | 180.0° | 179.9° |
| C89 | C88 | C87 | H112 | 179.1° | 180.0° |
| C88 | C89 | C90 | H115 | 179.5° | 179.8° |
| C83 | C85 | C90 | C89 | 179.2° | 179.8° |
| C85 | C83 | N19 | C84 | 117.3° | 120.0° |
| C85 | C83 | C84 | O23 | 105.7° | 95.0° |
| C85 | C83 | C82 | H107 | 180.0° | 60.0° |
| C85 | C83 | C82 | H108 | 60.0° | 60.0° |
| C85 | C83 | C82 | H109 | 60.0° | 180.0° |
| C85 | C83 | N19 | H110 | 14.2° | 120.0° |
| C83 | C85 | C86 | H111 | 1.0° | 0.0° |
| C83 | C85 | C90 | H115 | 0.8° | 0.1° |
| C85 | C83 | N19 | C78 | 165.8° | 60.0° |
| C85 | C83 | C84 | N20 | 74.2° | 85.0° |
| C85 | C90 | C89 | H115 | 180.0° | 179.9° |
| C90 | C85 | C83 | N19 | 33.3° | 179.9° |
| C90 | C85 | C83 | C84 | 88.7° | 60.0° |
| C90 | C85 | C86 | H111 | 178.9° | 179.8° |
| C85 | C90 | C89 | H114 | 179.5° | 179.7° |
| C90 | C89 | C88 | H113 | 179.3° | 179.8° |
| N19 | C83 | C84 | O23 | 132.8° | 145.0° |
| N19 | C83 | C82 | H107 | 59.4° | 60.0° |
| N19 | C83 | C82 | H108 | 60.6° | 180.0° |
| N19 | C83 | C82 | H109 | 179.4° | 60.0° |
| C83 | N19 | H110 | C78 | 180.0° | 180.0° |
| N19 | C83 | C84 | N20 | 47.3° | 35.0° |
| C83 | C84 | O23 | N20 | 179.8° | 179.9° |
| C84 | C83 | C82 | H107 | 63.2° | 180.0° |
| C84 | C83 | C82 | H108 | 176.8° | 60.0° |
| C84 | C83 | C82 | H109 | 56.8° | 60.0° |
| C84 | C83 | N19 | H110 | 131.5° | 0.0° |
| C83 | C84 | N20 | C91 | 175.7° | 180.0° |
| C83 | C84 | N20 | H116 | 4.3° | 0.0° |
| C84 | C83 | N19 | C78 | 48.5° | 180.0° |
| O23 | C84 | N20 | C91 | 4.1° | 0.1° |
| O23 | C84 | N20 | H116 | 175.9° | 180.0° |
| H107 | C82 | H108 | H109 | 120.0° | 120.0° |
| H111 | C86 | C87 | H112 | 0.0° | 0.0° |
| H112 | C87 | C88 | H113 | 0.9° | 0.0° |
| H113 | C88 | C89 | H114 | 0.7° | 0.1° |
| H114 | C89 | C90 | H115 | 0.4° | 0.1° |
| C91 | N20 | H116 | C84 | 180.0° | 180.0° |
| N20 | C91 | C92 | C95 | 121.5° | 120.0° |
| N20 | C91 | C92 | H117 | 120.2° | 120.0° |
| N20 | C91 | C95 | H117 | 120.0° | 120.0° |
| N20 | C91 | C92 | C93 | 57.7° | 64.9° |
| N20 | C91 | C92 | H118 | 62.9° | 55.0° |
| N20 | C91 | C92 | H119 | 178.2° | 175.0° |
| N20 | C91 | C95 | O24 | 174.9° | 0.0° |
| N20 | C91 | C95 | N21 | 4.6° | 180.0° |
| H116 | N20 | C91 | C92 | 25.4° | 25.0° |
| H116 | N20 | C91 | C95 | 95.1° | 95.0° |
| H116 | N20 | C91 | H117 | 145.2° | 145.0° |
| C92 | C91 | C95 | H117 | 118.0° | 120.0° |
| C91 | C92 | C93 | H118 | 120.5° | 119.9° |
| C91 | C92 | C93 | H119 | 120.5° | 120.0° |
| C91 | C92 | H118 | H119 | 118.3° | 120.0° |
| C91 | C92 | C93 | C94 | 155.0° | 180.0° |
| C91 | C92 | C93 | H120 | 84.8° | 60.1° |
| C91 | C92 | C93 | H121 | 34.8° | 60.0° |
| C92 | C91 | C95 | O24 | 53.0° | 120.0° |
| C92 | C91 | N20 | C84 | 154.6° | 155.0° |
| C92 | C91 | C95 | N21 | 126.5° | 60.0° |
| C95 | C91 | C92 | C93 | 179.2° | 175.1° |
| C95 | C91 | C92 | H118 | 58.6° | 65.0° |
| C95 | C91 | C92 | H119 | 60.3° | 55.0° |
| C91 | C95 | O24 | N21 | 179.6° | 180.0° |
| C91 | C95 | N21 | H125 | 179.6° | 0.0° |
| C91 | C95 | N21 | H126 | 0.4° | 180.0° |
| C95 | C91 | N20 | C84 | 85.0° | 85.0° |
| H117 | C91 | C92 | C93 | 62.6° | 55.0° |
| H117 | C91 | C92 | H118 | 176.9° | 174.9° |
| H117 | C91 | C92 | H119 | 58.0° | 65.0° |
| H117 | C91 | C95 | O24 | 65.1° | 120.0° |
| H117 | C91 | N20 | C84 | 34.8° | 35.0° |
| H117 | C91 | C95 | N21 | 115.4° | 60.0° |
| C93 | C92 | H118 | H119 | 118.4° | 120.0° |
| C92 | C93 | C94 | H120 | 120.2° | 119.9° |
| C92 | C93 | C94 | H121 | 120.2° | 120.0° |
| C92 | C93 | H120 | H121 | 119.4° | 120.0° |
| C92 | C93 | C94 | H122 | 180.0° | 180.0° |
| C92 | C93 | C94 | H123 | 60.0° | 60.0° |
| C92 | C93 | C94 | H124 | 60.0° | 60.0° |
| H118 | C92 | C93 | C94 | 34.5° | 60.1° |
| H118 | C92 | C93 | H120 | 154.7° | 180.0° |
| H118 | C92 | C93 | H121 | 85.7° | 60.0° |
| H119 | C92 | C93 | C94 | 84.4° | 59.9° |
| H119 | C92 | C93 | H120 | 35.8° | 60.0° |
| H119 | C92 | C93 | H121 | 155.4° | 180.0° |
| C94 | C93 | H120 | H121 | 119.4° | 120.1° |
| C93 | C94 | H122 | H123 | 120.0° | 119.9° |
| C93 | C94 | H122 | H124 | 120.0° | 120.0° |
| C93 | C94 | H123 | H124 | 120.0° | 120.0° |
| H120 | C93 | C94 | H122 | 59.8° | 60.1° |
| H120 | C93 | C94 | H123 | 179.8° | 179.9° |
| H120 | C93 | C94 | H124 | 60.2° | 59.9° |
| H121 | C93 | C94 | H122 | 59.8° | 60.0° |
| H121 | C93 | C94 | H123 | 60.2° | 60.0° |
| H121 | C93 | C94 | H124 | 179.8° | 180.0° |
| H122 | C94 | H123 | H124 | 120.0° | 120.0° |
| O24 | C95 | N21 | H125 | 0.0° | 180.0° |
| O24 | C95 | N21 | H126 | 180.0° | 0.0° |
| H125 | N21 | H126 | C95 | 180.0° | 180.0° |
| C103 | C96 | C101 | C97 | 179.3° | 179.9° |
| C103 | C96 | C101 | C100 | 179.7° | 179.9° |
| C103 | C96 | C97 | C98 | 179.7° | 179.9° |
| C103 | C96 | C97 | H127 | 0.3° | 0.1° |
| C103 | C96 | C101 | H130 | 0.3° | 0.1° |
| C96 | C103 | H133 | H134 | 116.8° | 120.0° |
| C96 | C103 | H133 | S1 | 126.5° | 120.0° |
| C96 | C103 | H134 | S1 | 126.5° | 120.0° |
| C96 | C101 | C100 | H130 | 180.0° | 180.0° |
| C96 | C101 | C100 | C99 | 0.0° | 0.0° |
| C101 | C96 | C97 | C98 | 0.4° | 0.1° |
| C101 | C96 | C97 | H127 | 179.5° | 180.0° |
| C96 | C101 | C100 | H129 | 180.0° | 180.0° |
| C101 | C96 | C103 | H133 | 122.5° | 4.6° |
| C101 | C96 | C103 | H134 | 4.6° | 115.4° |
| C101 | C96 | C103 | S1 | 116.5° | 124.6° |
| C100 | C101 | C96 | C97 | 0.4° | 0.1° |
| C101 | C100 | C99 | H129 | 180.0° | 180.0° |
| C101 | C100 | C99 | C98 | 0.5° | 0.0° |
| C101 | C100 | C99 | H128 | 179.5° | 180.0° |
| C96 | C97 | C98 | H127 | 180.0° | 180.0° |
| C96 | C97 | C98 | C99 | 0.0° | 0.0° |
| C96 | C97 | C98 | C102 | 179.5° | 179.9° |
| C97 | C96 | C101 | H130 | 179.6° | 180.0° |
| C97 | C96 | C103 | H133 | 58.2° | 175.5° |
| C97 | C96 | C103 | H134 | 176.2° | 64.5° |
| C97 | C96 | C103 | S1 | 62.8° | 55.5° |
| C100 | C99 | C98 | C97 | 0.4° | 0.0° |
| C100 | C99 | C98 | H128 | 180.0° | 180.0° |
| C100 | C99 | C98 | C102 | 180.0° | 179.9° |
| C99 | C100 | C101 | H130 | 180.0° | 180.0° |
| C97 | C98 | C99 | C102 | 179.5° | 179.9° |
| C97 | C98 | C99 | H128 | 179.5° | 180.0° |
| C97 | C98 | C102 | H131 | 143.2° | 66.4° |
| C97 | C98 | C102 | H132 | 100.0° | 173.6° |
| C97 | C98 | C102 | S2 | 21.6° | 53.7° |
| C99 | C98 | C97 | H127 | 180.0° | 180.0° |
| C98 | C99 | C100 | H129 | 179.6° | 180.0° |
| C99 | C98 | C102 | H131 | 37.3° | 113.6° |
| C99 | C98 | C102 | H132 | 79.5° | 6.5° |
| C99 | C98 | C102 | S2 | 158.9° | 126.4° |
| C102 | C98 | C97 | H127 | 0.5° | 0.1° |
| C102 | C98 | C99 | H128 | 0.0° | 0.1° |
| C98 | C102 | H131 | H132 | 114.7° | 120.0° |
| C98 | C102 | H131 | S2 | 130.6° | 120.0° |
| C98 | C102 | H132 | S2 | 130.5° | 120.0° |
| H128 | C99 | C100 | H129 | 0.4° | 0.0° |
| H129 | C100 | C101 | H130 | 0.0° | 0.0° |
| H131 | C102 | H132 | S2 | 114.7° | 120.0° |
| H133 | C103 | H134 | S1 | 116.8° | 120.0° |
