PRD_000162
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.45Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | doub | 1.38Å | 1.36Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.36Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | C11 | doub | 1.38Å | 1.36Å | Aromatic |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.38Å | 1.36Å | Aromatic |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| N2 | C12 | sing | 1.46Å | 1.46Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | O3 | doub | 1.21Å | 1.23Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | C16 | sing | 1.47Å | 1.45Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | O4 | doub | 1.21Å | 1.23Å | |
| C18 | O5 | sing | 1.43Å | 1.42Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| O5 | H24 | sing | 0.97Å | 0.95Å | |
| N4 | C19 | sing | 1.46Å | 1.46Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | O6 | doub | 1.21Å | 1.23Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| N5 | C23 | sing | 1.46Å | 1.48Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.53Å | 1.56Å | |
| C23 | C26 | sing | 1.53Å | 1.56Å | |
| C23 | C27 | sing | 1.51Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | O7 | doub | 1.21Å | 1.22Å | |
| N6 | C28 | sing | 1.47Å | 1.45Å | |
| N6 | H41 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | O8 | doub | 1.21Å | 1.23Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| C33 | H51 | sing | 1.09Å | 1.10Å | |
| N7 | C34 | sing | 1.46Å | 1.45Å | |
| N7 | H52 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.51Å | 1.53Å | |
| C34 | C36 | sing | 1.53Å | 1.53Å | |
| C34 | H53 | sing | 1.09Å | 1.10Å | |
| C35 | O9 | doub | 1.21Å | 1.23Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.51Å | 1.53Å | |
| C37 | H56 | sing | 1.09Å | 1.10Å | |
| C37 | H57 | sing | 1.09Å | 1.10Å | |
| C38 | O10 | doub | 1.21Å | 1.22Å | |
| C38 | N8 | sing | 1.35Å | 1.33Å | |
| N8 | H58 | sing | 0.97Å | 1.00Å | |
| N8 | H59 | sing | 0.97Å | 1.00Å | |
| N9 | C39 | sing | 1.46Å | 1.45Å | |
| N9 | H60 | sing | 0.97Å | 1.00Å | |
| C39 | C40 | sing | 1.51Å | 1.53Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| C40 | O11 | doub | 1.21Å | 1.23Å | |
| N10 | C41 | sing | 1.47Å | 1.46Å | |
| N10 | H63 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.51Å | 1.53Å | |
| C41 | C43 | sing | 1.53Å | 1.53Å | |
| C41 | C44 | sing | 1.53Å | 1.53Å | |
| C42 | O12 | doub | 1.21Å | 1.23Å | |
| C43 | H64 | sing | 1.09Å | 1.10Å | |
| C43 | H65 | sing | 1.09Å | 1.10Å | |
| C43 | H66 | sing | 1.09Å | 1.10Å | |
| C44 | H67 | sing | 1.09Å | 1.10Å | |
| C44 | H68 | sing | 1.09Å | 1.10Å | |
| C44 | H69 | sing | 1.09Å | 1.10Å | |
| N11 | C45 | sing | 1.47Å | 1.46Å | |
| N11 | H70 | sing | 0.97Å | 1.00Å | |
| C45 | C46 | sing | 1.51Å | 1.53Å | |
| C45 | C47 | sing | 1.53Å | 1.53Å | |
| C45 | C48 | sing | 1.53Å | 1.53Å | |
| C46 | O13 | doub | 1.21Å | 1.23Å | |
| C47 | H71 | sing | 1.09Å | 1.10Å | |
| C47 | H72 | sing | 1.09Å | 1.10Å | |
| C47 | H73 | sing | 1.09Å | 1.10Å | |
| C48 | H74 | sing | 1.09Å | 1.10Å | |
| C48 | H75 | sing | 1.09Å | 1.10Å | |
| C48 | H76 | sing | 1.09Å | 1.10Å | |
| N12 | C49 | sing | 1.46Å | 1.45Å | |
| N12 | H77 | sing | 0.97Å | 1.00Å | |
| C49 | C50 | sing | 1.51Å | 1.53Å | |
| C49 | C51 | sing | 1.53Å | 1.53Å | |
| C49 | H78 | sing | 1.09Å | 1.10Å | |
| C50 | O14 | doub | 1.21Å | 1.23Å | |
| C51 | H79 | sing | 1.09Å | 1.10Å | |
| C51 | H80 | sing | 1.09Å | 1.10Å | |
| C51 | H81 | sing | 1.09Å | 1.10Å | |
| N13 | C52 | sing | 1.46Å | 1.45Å | |
| N13 | H82 | sing | 0.97Å | 1.00Å | |
| C52 | C53 | sing | 1.51Å | 1.53Å | |
| C52 | C54 | sing | 1.53Å | 1.53Å | |
| C52 | H83 | sing | 1.09Å | 1.10Å | |
| C53 | O15 | doub | 1.21Å | 1.23Å | |
| C54 | H84 | sing | 1.09Å | 1.10Å | |
| C54 | H85 | sing | 1.09Å | 1.10Å | |
| C54 | H86 | sing | 1.09Å | 1.10Å | |
| N14 | C55 | sing | 1.47Å | 1.46Å | |
| N14 | H87 | sing | 0.97Å | 1.00Å | |
| C55 | C56 | sing | 1.51Å | 1.53Å | |
| C55 | C57 | sing | 1.53Å | 1.53Å | |
| C55 | C58 | sing | 1.53Å | 1.53Å | |
| C56 | O16 | doub | 1.21Å | 1.23Å | |
| C57 | H88 | sing | 1.09Å | 1.10Å | |
| C57 | H89 | sing | 1.09Å | 1.10Å | |
| C57 | H90 | sing | 1.09Å | 1.10Å | |
| C58 | H91 | sing | 1.09Å | 1.10Å | |
| C58 | H92 | sing | 1.09Å | 1.10Å | |
| C58 | H93 | sing | 1.09Å | 1.10Å | |
| N15 | C59 | sing | 1.47Å | 1.45Å | |
| N15 | C63 | sing | 1.47Å | 1.46Å | |
| C59 | C60 | sing | 1.51Å | 1.53Å | |
| C59 | C61 | sing | 1.54Å | 1.52Å | |
| C59 | H94 | sing | 1.09Å | 1.10Å | |
| C60 | O17 | doub | 1.21Å | 1.23Å | |
| C61 | C62 | sing | 1.55Å | 1.52Å | |
| C61 | H95 | sing | 1.09Å | 1.10Å | |
| C61 | H96 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | sing | 1.55Å | 1.52Å | |
| C62 | H97 | sing | 1.09Å | 1.10Å | |
| C62 | H98 | sing | 1.09Å | 1.10Å | |
| C63 | H99 | sing | 1.09Å | 1.10Å | |
| C63 | H100 | sing | 1.09Å | 1.10Å | |
| N16 | C64 | sing | 1.46Å | 1.46Å | |
| N16 | H101 | sing | 0.97Å | 1.00Å | |
| C64 | C65 | sing | 1.51Å | 1.53Å | |
| C64 | C66 | sing | 1.53Å | 1.53Å | |
| C64 | C67 | sing | 1.53Å | 1.53Å | |
| C65 | O18 | doub | 1.21Å | 1.23Å | |
| C66 | H102 | sing | 1.09Å | 1.10Å | |
| C66 | H103 | sing | 1.09Å | 1.10Å | |
| C66 | H104 | sing | 1.09Å | 1.10Å | |
| C67 | H105 | sing | 1.09Å | 1.10Å | |
| C67 | H106 | sing | 1.09Å | 1.10Å | |
| C67 | H107 | sing | 1.09Å | 1.10Å | |
| N17 | C68 | sing | 1.46Å | 1.46Å | |
| N17 | H108 | sing | 0.97Å | 1.00Å | |
| C68 | C69 | sing | 1.51Å | 1.53Å | |
| C68 | C70 | sing | 1.53Å | 1.53Å | |
| C68 | C71 | sing | 1.53Å | 1.53Å | |
| C69 | O19 | doub | 1.21Å | 1.23Å | |
| C70 | H109 | sing | 1.09Å | 1.10Å | |
| C70 | H110 | sing | 1.09Å | 1.10Å | |
| C70 | H111 | sing | 1.09Å | 1.10Å | |
| C71 | H112 | sing | 1.09Å | 1.10Å | |
| C71 | H113 | sing | 1.09Å | 1.10Å | |
| C71 | H114 | sing | 1.09Å | 1.10Å | |
| N18 | C72 | sing | 1.47Å | 1.46Å | |
| N18 | H115 | sing | 0.97Å | 1.00Å | |
| C72 | C73 | sing | 1.51Å | 1.53Å | |
| C72 | C74 | sing | 1.53Å | 1.53Å | |
| C72 | C75 | sing | 1.53Å | 1.53Å | |
| C73 | O20 | doub | 1.21Å | 1.23Å | |
| C74 | H116 | sing | 1.09Å | 1.10Å | |
| C74 | H117 | sing | 1.09Å | 1.10Å | |
| C74 | H118 | sing | 1.09Å | 1.10Å | |
| C75 | H119 | sing | 1.09Å | 1.10Å | |
| C75 | H120 | sing | 1.09Å | 1.10Å | |
| C75 | H121 | sing | 1.09Å | 1.10Å | |
| N19 | C76 | sing | 1.46Å | 1.45Å | |
| N19 | H122 | sing | 0.97Å | 1.00Å | |
| C76 | C77 | sing | 1.51Å | 1.53Å | |
| C76 | C78 | sing | 1.53Å | 1.53Å | |
| C76 | H123 | sing | 1.09Å | 1.10Å | |
| C77 | O21 | doub | 1.21Å | 1.23Å | |
| C78 | C79 | sing | 1.53Å | 1.53Å | |
| C78 | H124 | sing | 1.09Å | 1.10Å | |
| C78 | H125 | sing | 1.09Å | 1.10Å | |
| C79 | C80 | sing | 1.51Å | 1.53Å | |
| C79 | H126 | sing | 1.09Å | 1.10Å | |
| C79 | H127 | sing | 1.09Å | 1.10Å | |
| C80 | O22 | doub | 1.21Å | 1.22Å | |
| C80 | N20 | sing | 1.35Å | 1.33Å | |
| N20 | H128 | sing | 0.97Å | 1.00Å | |
| N20 | H129 | sing | 0.97Å | 1.00Å | |
| N21 | C81 | sing | 1.47Å | 1.46Å | |
| N21 | H130 | sing | 0.97Å | 1.00Å | |
| C81 | C82 | sing | 1.53Å | 1.55Å | |
| C81 | C91 | sing | 1.53Å | 1.55Å | |
| C81 | H131 | sing | 1.09Å | 1.10Å | |
| C82 | C83 | sing | 1.51Å | 1.50Å | |
| C82 | H132 | sing | 1.09Å | 1.10Å | |
| C82 | H133 | sing | 1.09Å | 1.10Å | |
| C83 | C84 | doub | 1.34Å | 1.34Å | Aromatic |
| C83 | C85 | sing | 1.47Å | 1.51Å | Aromatic |
| C84 | N22 | sing | 1.37Å | 1.31Å | Aromatic |
| C84 | H134 | sing | 1.08Å | 1.08Å | |
| C85 | C86 | sing | 1.40Å | 1.39Å | Aromatic |
| C85 | C87 | doub | 1.41Å | 1.38Å | Aromatic |
| C86 | C88 | doub | 1.37Å | 1.40Å | Aromatic |
| C86 | H135 | sing | 1.08Å | 1.08Å | |
| C87 | N22 | sing | 1.38Å | 1.35Å | Aromatic |
| C87 | C89 | sing | 1.39Å | 1.39Å | Aromatic |
| N22 | H136 | sing | 0.97Å | 1.00Å | |
| C88 | C90 | sing | 1.39Å | 1.40Å | Aromatic |
| C88 | H137 | sing | 1.08Å | 1.08Å | |
| C89 | C90 | doub | 1.38Å | 1.40Å | Aromatic |
| C89 | H138 | sing | 1.08Å | 1.08Å | |
| C90 | H139 | sing | 1.08Å | 1.08Å | |
| C91 | O23 | sing | 1.43Å | 1.44Å | |
| C91 | H140 | sing | 1.09Å | 1.10Å | |
| C91 | H141 | sing | 1.09Å | 1.10Å | |
| O23 | H142 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.32Å | |
| C4 | N2 | sing | 1.35Å | 1.35Å | |
| C13 | N3 | sing | 1.35Å | 1.33Å | |
| C17 | N4 | sing | 1.35Å | 1.35Å | |
| C20 | N5 | sing | 1.35Å | 1.35Å | |
| C27 | N6 | sing | 1.35Å | 1.33Å | |
| C40 | N10 | sing | 1.35Å | 1.35Å | |
| C42 | N11 | sing | 1.35Å | 1.34Å | |
| C46 | N12 | sing | 1.35Å | 1.33Å | |
| C53 | N14 | sing | 1.35Å | 1.35Å | |
| C56 | N15 | sing | 1.35Å | 1.36Å | |
| C60 | N16 | sing | 1.35Å | 1.34Å | |
| C65 | N17 | sing | 1.35Å | 1.34Å | |
| C69 | N18 | sing | 1.35Å | 1.34Å | |
| C73 | N19 | sing | 1.35Å | 1.32Å | |
| C77 | N21 | sing | 1.35Å | 1.35Å | |
| C29 | N7 | sing | 1.35Å | 1.32Å | |
| C35 | N9 | sing | 1.35Å | 1.32Å | |
| C50 | N13 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.5° | 120.0° |
| O1 | C1 | N1 | 124.5° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.4° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 115.0° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 119.5° | 120.0° |
| N1 | C3 | C4 | 111.0° | 109.5° |
| N1 | C3 | C5 | 107.0° | 109.5° |
| N1 | C3 | H5 | 110.6° | 109.4° |
| C3 | N1 | C1 | 121.0° | 120.0° |
| H4 | N1 | C1 | 119.5° | 120.0° |
| C4 | C3 | C5 | 109.0° | 109.5° |
| C4 | C3 | H5 | 109.6° | 109.5° |
| C3 | C4 | O2 | 120.5° | 120.0° |
| C3 | C4 | N2 | 116.5° | 120.0° |
| C5 | C3 | H5 | 109.6° | 109.5° |
| C3 | C5 | C6 | 114.0° | 109.5° |
| C3 | C5 | H6 | 108.3° | 109.5° |
| C3 | C5 | H7 | 108.3° | 109.5° |
| O2 | C4 | N2 | 123.0° | 120.0° |
| C6 | C5 | H6 | 108.3° | 109.4° |
| C6 | C5 | H7 | 108.3° | 109.5° |
| C5 | C6 | C7 | 120.0° | 120.0° |
| C5 | C6 | C8 | 120.0° | 120.0° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C7 | C6 | C8 | 120.0° | 120.0° |
| C6 | C7 | C9 | 120.0° | 120.0° |
| C6 | C7 | H8 | 120.0° | 120.0° |
| C6 | C8 | C10 | 120.0° | 120.0° |
| C6 | C8 | H9 | 120.0° | 120.0° |
| C9 | C7 | H8 | 120.0° | 120.0° |
| C7 | C9 | C11 | 120.0° | 120.0° |
| C7 | C9 | H10 | 120.0° | 120.0° |
| C10 | C8 | H9 | 120.0° | 120.1° |
| C8 | C10 | C11 | 120.1° | 120.0° |
| C8 | C10 | H11 | 120.0° | 120.0° |
| C11 | C9 | H10 | 120.0° | 120.0° |
| C9 | C11 | C10 | 119.9° | 120.0° |
| C9 | C11 | H12 | 120.0° | 120.0° |
| C11 | C10 | H11 | 120.0° | 119.9° |
| C10 | C11 | H12 | 120.0° | 120.0° |
| C12 | N2 | H13 | 118.9° | 120.0° |
| N2 | C12 | C13 | 111.0° | 109.5° |
| N2 | C12 | C14 | 106.9° | 109.5° |
| N2 | C12 | C15 | 110.9° | 109.5° |
| C12 | N2 | C4 | 122.1° | 120.0° |
| H13 | N2 | C4 | 119.0° | 120.0° |
| C13 | C12 | C14 | 106.4° | 109.4° |
| C13 | C12 | C15 | 110.7° | 109.5° |
| C12 | C13 | O3 | 120.5° | 120.0° |
| C12 | C13 | N3 | 115.0° | 120.0° |
| C14 | C12 | C15 | 110.8° | 109.5° |
| C12 | C14 | H14 | 109.5° | 109.5° |
| C12 | C14 | H15 | 109.5° | 109.4° |
| C12 | C14 | H16 | 109.5° | 109.5° |
| C12 | C15 | H17 | 109.5° | 109.5° |
| C12 | C15 | H18 | 109.4° | 109.5° |
| C12 | C15 | H19 | 109.4° | 109.5° |
| O3 | C13 | N3 | 124.5° | 120.0° |
| H14 | C14 | H15 | 109.4° | 109.5° |
| H14 | C14 | H16 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.4° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H17 | C15 | H19 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.4° |
| C16 | N3 | H20 | 119.5° | 119.9° |
| N3 | C16 | C17 | 110.0° | 109.5° |
| N3 | C16 | C18 | 111.1° | 109.5° |
| N3 | C16 | H21 | 109.1° | 109.5° |
| C16 | N3 | C13 | 121.0° | 120.0° |
| H20 | N3 | C13 | 119.5° | 120.1° |
| C17 | C16 | C18 | 110.3° | 109.4° |
| C17 | C16 | H21 | 108.1° | 109.5° |
| C16 | C17 | O4 | 120.5° | 120.0° |
| C16 | C17 | N4 | 116.6° | 120.0° |
| C18 | C16 | H21 | 108.1° | 109.5° |
| C16 | C18 | O5 | 112.0° | 109.5° |
| C16 | C18 | H22 | 108.8° | 109.5° |
| C16 | C18 | H23 | 108.8° | 109.5° |
| O4 | C17 | N4 | 122.9° | 120.0° |
| O5 | C18 | H22 | 108.8° | 109.5° |
| O5 | C18 | H23 | 108.8° | 109.5° |
| C18 | O5 | H24 | 109.5° | 114.0° |
| H22 | C18 | H23 | 109.5° | 109.4° |
| C19 | N4 | H25 | 118.9° | 120.1° |
| N4 | C19 | C20 | 111.0° | 109.4° |
| N4 | C19 | C21 | 106.9° | 109.5° |
| N4 | C19 | C22 | 110.9° | 109.5° |
| C19 | N4 | C17 | 122.1° | 120.0° |
| H25 | N4 | C17 | 118.9° | 120.0° |
| C20 | C19 | C21 | 106.4° | 109.5° |
| C20 | C19 | C22 | 110.7° | 109.4° |
| C19 | C20 | O6 | 120.5° | 120.0° |
| C19 | C20 | N5 | 115.8° | 120.0° |
| C21 | C19 | C22 | 110.8° | 109.5° |
| C19 | C21 | H26 | 109.5° | 109.5° |
| C19 | C21 | H27 | 109.5° | 109.4° |
| C19 | C21 | H28 | 109.5° | 109.5° |
| C19 | C22 | H29 | 109.5° | 109.5° |
| C19 | C22 | H30 | 109.5° | 109.5° |
| C19 | C22 | H31 | 109.5° | 109.4° |
| O6 | C20 | N5 | 123.6° | 120.0° |
| H26 | C21 | H27 | 109.4° | 109.5° |
| H26 | C21 | H28 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H29 | C22 | H30 | 109.5° | 109.5° |
| H29 | C22 | H31 | 109.5° | 109.4° |
| H30 | C22 | H31 | 109.4° | 109.5° |
| C23 | N5 | H32 | 118.0° | 120.0° |
| N5 | C23 | C24 | 111.5° | 109.5° |
| N5 | C23 | C26 | 110.4° | 109.5° |
| N5 | C23 | C27 | 107.0° | 109.5° |
| C23 | N5 | C20 | 124.1° | 120.1° |
| H32 | N5 | C20 | 117.9° | 120.0° |
| C24 | C23 | C26 | 114.5° | 109.5° |
| C24 | C23 | C27 | 106.3° | 109.5° |
| C23 | C24 | C25 | 115.5° | 109.5° |
| C23 | C24 | H33 | 107.9° | 109.5° |
| C23 | C24 | H34 | 108.0° | 109.5° |
| C26 | C23 | C27 | 106.7° | 109.5° |
| C23 | C26 | H38 | 109.5° | 109.5° |
| C23 | C26 | H39 | 109.5° | 109.5° |
| C23 | C26 | H40 | 109.5° | 109.5° |
| C23 | C27 | O7 | 116.9° | 120.0° |
| C23 | C27 | N6 | 118.3° | 120.0° |
| C25 | C24 | H33 | 107.9° | 109.4° |
| C25 | C24 | H34 | 107.9° | 109.5° |
| C24 | C25 | H35 | 109.5° | 109.5° |
| C24 | C25 | H36 | 109.5° | 109.5° |
| C24 | C25 | H37 | 109.5° | 109.5° |
| H33 | C24 | H34 | 109.5° | 109.5° |
| H35 | C25 | H36 | 109.5° | 109.5° |
| H35 | C25 | H37 | 109.5° | 109.4° |
| H36 | C25 | H37 | 109.5° | 109.5° |
| H38 | C26 | H39 | 109.5° | 109.5° |
| H38 | C26 | H40 | 109.5° | 109.5° |
| H39 | C26 | H40 | 109.5° | 109.5° |
| O7 | C27 | N6 | 124.8° | 120.0° |
| C28 | N6 | H41 | 119.7° | 120.0° |
| N6 | C28 | C29 | 109.3° | 109.5° |
| N6 | C28 | C30 | 110.5° | 109.5° |
| N6 | C28 | H42 | 108.3° | 109.4° |
| C28 | N6 | C27 | 120.7° | 120.0° |
| H41 | N6 | C27 | 119.6° | 120.0° |
| C29 | C28 | C30 | 113.7° | 109.5° |
| C29 | C28 | H42 | 107.4° | 109.5° |
| C28 | C29 | O8 | 120.5° | 120.0° |
| C28 | C29 | N7 | 115.0° | 120.0° |
| C30 | C28 | H42 | 107.4° | 109.5° |
| C28 | C30 | C31 | 116.0° | 109.5° |
| C28 | C30 | H43 | 107.8° | 109.5° |
| C28 | C30 | H44 | 107.8° | 109.5° |
| O8 | C29 | N7 | 124.5° | 120.0° |
| C31 | C30 | H43 | 107.8° | 109.5° |
| C31 | C30 | H44 | 107.8° | 109.5° |
| C30 | C31 | C32 | 111.0° | 109.5° |
| C30 | C31 | C33 | 111.0° | 109.5° |
| C30 | C31 | H45 | 107.5° | 109.5° |
| H43 | C30 | H44 | 109.5° | 109.4° |
| C32 | C31 | C33 | 112.0° | 109.5° |
| C32 | C31 | H45 | 107.5° | 109.5° |
| C31 | C32 | H46 | 109.5° | 109.5° |
| C31 | C32 | H47 | 109.4° | 109.4° |
| C31 | C32 | H48 | 109.4° | 109.5° |
| C33 | C31 | H45 | 107.6° | 109.5° |
| C31 | C33 | H49 | 109.5° | 109.5° |
| C31 | C33 | H50 | 109.5° | 109.4° |
| C31 | C33 | H51 | 109.5° | 109.4° |
| H46 | C32 | H47 | 109.5° | 109.5° |
| H46 | C32 | H48 | 109.5° | 109.5° |
| H47 | C32 | H48 | 109.5° | 109.5° |
| H49 | C33 | H50 | 109.5° | 109.5° |
| H49 | C33 | H51 | 109.5° | 109.5° |
| H50 | C33 | H51 | 109.4° | 109.5° |
| C34 | N7 | H52 | 119.5° | 120.0° |
| N7 | C34 | C35 | 110.3° | 109.5° |
| N7 | C34 | C36 | 111.0° | 109.5° |
| N7 | C34 | H53 | 108.8° | 109.5° |
| C34 | N7 | C29 | 121.0° | 120.0° |
| H52 | N7 | C29 | 119.5° | 120.0° |
| C35 | C34 | C36 | 111.0° | 109.5° |
| C35 | C34 | H53 | 107.8° | 109.5° |
| C34 | C35 | O9 | 120.5° | 120.0° |
| C34 | C35 | N9 | 115.0° | 120.0° |
| C36 | C34 | H53 | 107.8° | 109.4° |
| C34 | C36 | C37 | 111.0° | 109.5° |
| C34 | C36 | H54 | 109.1° | 109.5° |
| C34 | C36 | H55 | 109.1° | 109.5° |
| O9 | C35 | N9 | 124.5° | 119.9° |
| C37 | C36 | H54 | 109.1° | 109.5° |
| C37 | C36 | H55 | 109.1° | 109.4° |
| C36 | C37 | C38 | 111.0° | 109.5° |
| C36 | C37 | H56 | 109.1° | 109.5° |
| C36 | C37 | H57 | 109.1° | 109.4° |
| H54 | C36 | H55 | 109.4° | 109.4° |
| C38 | C37 | H56 | 109.1° | 109.5° |
| C38 | C37 | H57 | 109.1° | 109.5° |
| C37 | C38 | O10 | 121.9° | 120.0° |
| C37 | C38 | N8 | 114.0° | 120.0° |
| H56 | C37 | H57 | 109.5° | 109.4° |
| O10 | C38 | N8 | 124.1° | 120.0° |
| C38 | N8 | H58 | 120.0° | 120.0° |
| C38 | N8 | H59 | 120.0° | 120.0° |
| H58 | N8 | H59 | 120.0° | 120.0° |
| C39 | N9 | H60 | 119.5° | 120.0° |
| N9 | C39 | C40 | 111.0° | 109.5° |
| N9 | C39 | H61 | 109.1° | 109.4° |
| N9 | C39 | H62 | 109.1° | 109.5° |
| C39 | N9 | C35 | 121.0° | 120.0° |
| H60 | N9 | C35 | 119.5° | 120.0° |
| C40 | C39 | H61 | 109.1° | 109.4° |
| C40 | C39 | H62 | 109.1° | 109.5° |
| C39 | C40 | O11 | 120.5° | 120.0° |
| C39 | C40 | N10 | 116.5° | 120.0° |
| H61 | C39 | H62 | 109.5° | 109.5° |
| O11 | C40 | N10 | 123.0° | 120.0° |
| C41 | N10 | H63 | 118.9° | 119.9° |
| N10 | C41 | C42 | 111.0° | 109.5° |
| N10 | C41 | C43 | 106.9° | 109.5° |
| N10 | C41 | C44 | 110.9° | 109.5° |
| C41 | N10 | C40 | 122.1° | 120.0° |
| H63 | N10 | C40 | 118.9° | 120.0° |
| C42 | C41 | C43 | 106.4° | 109.5° |
| C42 | C41 | C44 | 110.6° | 109.4° |
| C41 | C42 | O12 | 120.5° | 120.0° |
| C41 | C42 | N11 | 116.6° | 120.0° |
| C43 | C41 | C44 | 110.8° | 109.5° |
| C41 | C43 | H64 | 109.5° | 109.5° |
| C41 | C43 | H65 | 109.5° | 109.5° |
| C41 | C43 | H66 | 109.5° | 109.5° |
| C41 | C44 | H67 | 109.5° | 109.5° |
| C41 | C44 | H68 | 109.5° | 109.5° |
| C41 | C44 | H69 | 109.5° | 109.5° |
| O12 | C42 | N11 | 122.9° | 120.0° |
| H64 | C43 | H65 | 109.5° | 109.5° |
| H64 | C43 | H66 | 109.5° | 109.5° |
| H65 | C43 | H66 | 109.5° | 109.4° |
| H67 | C44 | H68 | 109.5° | 109.5° |
| H67 | C44 | H69 | 109.4° | 109.5° |
| H68 | C44 | H69 | 109.5° | 109.4° |
| C45 | N11 | H70 | 118.9° | 119.9° |
| N11 | C45 | C46 | 111.0° | 109.5° |
| N11 | C45 | C47 | 106.9° | 109.5° |
| N11 | C45 | C48 | 110.9° | 109.4° |
| C45 | N11 | C42 | 122.2° | 120.0° |
| H70 | N11 | C42 | 118.9° | 120.0° |
| C46 | C45 | C47 | 106.4° | 109.5° |
| C46 | C45 | C48 | 110.6° | 109.5° |
| C45 | C46 | O13 | 120.5° | 119.9° |
| C45 | C46 | N12 | 115.0° | 120.0° |
| C47 | C45 | C48 | 110.8° | 109.5° |
| C45 | C47 | H71 | 109.5° | 109.5° |
| C45 | C47 | H72 | 109.5° | 109.5° |
| C45 | C47 | H73 | 109.5° | 109.4° |
| C45 | C48 | H74 | 109.5° | 109.5° |
| C45 | C48 | H75 | 109.4° | 109.4° |
| C45 | C48 | H76 | 109.4° | 109.4° |
| O13 | C46 | N12 | 124.5° | 120.1° |
| H71 | C47 | H72 | 109.5° | 109.5° |
| H71 | C47 | H73 | 109.5° | 109.5° |
| H72 | C47 | H73 | 109.5° | 109.5° |
| H74 | C48 | H75 | 109.5° | 109.5° |
| H74 | C48 | H76 | 109.5° | 109.6° |
| H75 | C48 | H76 | 109.5° | 109.4° |
| C49 | N12 | H77 | 119.5° | 119.9° |
| N12 | C49 | C50 | 109.3° | 109.5° |
| N12 | C49 | C51 | 109.5° | 109.5° |
| N12 | C49 | H78 | 109.2° | 109.4° |
| C49 | N12 | C46 | 121.0° | 120.0° |
| H77 | N12 | C46 | 119.5° | 120.0° |
| C50 | C49 | C51 | 112.4° | 109.5° |
| C50 | C49 | H78 | 108.2° | 109.4° |
| C49 | C50 | O14 | 120.5° | 120.0° |
| C49 | C50 | N13 | 115.0° | 120.0° |
| C51 | C49 | H78 | 108.1° | 109.5° |
| C49 | C51 | H79 | 109.5° | 109.4° |
| C49 | C51 | H80 | 109.5° | 109.5° |
| C49 | C51 | H81 | 109.5° | 109.5° |
| O14 | C50 | N13 | 124.5° | 120.0° |
| H79 | C51 | H80 | 109.5° | 109.4° |
| H79 | C51 | H81 | 109.5° | 109.5° |
| H80 | C51 | H81 | 109.4° | 109.5° |
| C52 | N13 | H82 | 119.5° | 120.0° |
| N13 | C52 | C53 | 109.3° | 109.5° |
| N13 | C52 | C54 | 109.5° | 109.5° |
| N13 | C52 | H83 | 109.2° | 109.5° |
| C52 | N13 | C50 | 121.0° | 120.0° |
| H82 | N13 | C50 | 119.5° | 120.0° |
| C53 | C52 | C54 | 112.4° | 109.5° |
| C53 | C52 | H83 | 108.2° | 109.5° |
| C52 | C53 | O15 | 120.5° | 120.0° |
| C52 | C53 | N14 | 116.5° | 120.0° |
| C54 | C52 | H83 | 108.2° | 109.5° |
| C52 | C54 | H84 | 109.5° | 109.4° |
| C52 | C54 | H85 | 109.5° | 109.5° |
| C52 | C54 | H86 | 109.5° | 109.4° |
| O15 | C53 | N14 | 123.0° | 120.0° |
| H84 | C54 | H85 | 109.5° | 109.5° |
| H84 | C54 | H86 | 109.4° | 109.5° |
| H85 | C54 | H86 | 109.5° | 109.5° |
| C55 | N14 | H87 | 119.0° | 120.0° |
| N14 | C55 | C56 | 111.0° | 109.5° |
| N14 | C55 | C57 | 106.9° | 109.5° |
| N14 | C55 | C58 | 110.9° | 109.5° |
| C55 | N14 | C53 | 122.1° | 120.0° |
| H87 | N14 | C53 | 119.0° | 120.0° |
| C56 | C55 | C57 | 106.4° | 109.5° |
| C56 | C55 | C58 | 110.7° | 109.5° |
| C55 | C56 | O16 | 120.4° | 120.0° |
| C55 | C56 | N15 | 115.0° | 120.0° |
| C57 | C55 | C58 | 110.8° | 109.5° |
| C55 | C57 | H88 | 109.5° | 109.5° |
| C55 | C57 | H89 | 109.5° | 109.5° |
| C55 | C57 | H90 | 109.5° | 109.4° |
| C55 | C58 | H91 | 109.5° | 109.5° |
| C55 | C58 | H92 | 109.5° | 109.4° |
| C55 | C58 | H93 | 109.5° | 109.5° |
| O16 | C56 | N15 | 124.5° | 120.0° |
| H88 | C57 | H89 | 109.5° | 109.5° |
| H88 | C57 | H90 | 109.5° | 109.5° |
| H89 | C57 | H90 | 109.5° | 109.5° |
| H91 | C58 | H92 | 109.4° | 109.4° |
| H91 | C58 | H93 | 109.5° | 109.5° |
| H92 | C58 | H93 | 109.4° | 109.5° |
| C59 | N15 | C63 | 113.0° | 108.7° |
| N15 | C59 | C60 | 111.0° | 109.9° |
| N15 | C59 | C61 | 105.0° | 107.3° |
| N15 | C59 | H94 | 109.9° | 109.9° |
| C59 | N15 | C56 | 121.0° | 125.7° |
| N15 | C63 | C62 | 104.7° | 104.7° |
| N15 | C63 | H99 | 110.6° | 110.4° |
| N15 | C63 | H100 | 110.6° | 110.3° |
| C63 | N15 | C56 | 126.0° | 125.6° |
| C60 | C59 | C61 | 113.0° | 109.8° |
| C60 | C59 | H94 | 108.9° | 109.9° |
| C59 | C60 | O17 | 120.5° | 120.0° |
| C59 | C60 | N16 | 116.5° | 120.0° |
| C61 | C59 | H94 | 109.0° | 110.0° |
| C59 | C61 | C62 | 105.9° | 102.9° |
| C59 | C61 | H95 | 110.3° | 110.8° |
| C59 | C61 | H96 | 110.4° | 110.7° |
| O17 | C60 | N16 | 123.0° | 120.0° |
| C62 | C61 | H95 | 110.4° | 110.7° |
| C62 | C61 | H96 | 110.3° | 110.7° |
| C61 | C62 | C63 | 107.9° | 101.5° |
| C61 | C62 | H97 | 109.9° | 111.0° |
| C61 | C62 | H98 | 109.9° | 111.0° |
| H95 | C61 | H96 | 109.5° | 110.8° |
| C63 | C62 | H97 | 109.9° | 111.2° |
| C63 | C62 | H98 | 109.9° | 110.8° |
| C62 | C63 | H99 | 110.7° | 110.5° |
| C62 | C63 | H100 | 110.7° | 110.3° |
| H97 | C62 | H98 | 109.5° | 110.9° |
| H99 | C63 | H100 | 109.5° | 110.4° |
| C64 | N16 | H101 | 119.0° | 120.0° |
| N16 | C64 | C65 | 111.0° | 109.5° |
| N16 | C64 | C66 | 106.9° | 109.5° |
| N16 | C64 | C67 | 110.9° | 109.4° |
| C64 | N16 | C60 | 122.1° | 120.0° |
| H101 | N16 | C60 | 118.9° | 120.0° |
| C65 | C64 | C66 | 106.4° | 109.5° |
| C65 | C64 | C67 | 110.7° | 109.4° |
| C64 | C65 | O18 | 120.5° | 120.0° |
| C64 | C65 | N17 | 116.5° | 120.0° |
| C66 | C64 | C67 | 110.8° | 109.5° |
| C64 | C66 | H102 | 109.5° | 109.4° |
| C64 | C66 | H103 | 109.5° | 109.5° |
| C64 | C66 | H104 | 109.4° | 109.5° |
| C64 | C67 | H105 | 109.5° | 109.5° |
| C64 | C67 | H106 | 109.5° | 109.5° |
| C64 | C67 | H107 | 109.5° | 109.5° |
| O18 | C65 | N17 | 123.0° | 120.0° |
| H102 | C66 | H103 | 109.5° | 109.4° |
| H102 | C66 | H104 | 109.5° | 109.5° |
| H103 | C66 | H104 | 109.5° | 109.5° |
| H105 | C67 | H106 | 109.5° | 109.5° |
| H105 | C67 | H107 | 109.4° | 109.5° |
| H106 | C67 | H107 | 109.5° | 109.5° |
| C68 | N17 | H108 | 118.9° | 120.0° |
| N17 | C68 | C69 | 111.0° | 109.5° |
| N17 | C68 | C70 | 106.9° | 109.5° |
| N17 | C68 | C71 | 110.9° | 109.4° |
| C68 | N17 | C65 | 122.1° | 120.0° |
| H108 | N17 | C65 | 118.9° | 120.0° |
| C69 | C68 | C70 | 106.4° | 109.5° |
| C69 | C68 | C71 | 110.7° | 109.4° |
| C68 | C69 | O19 | 120.5° | 119.9° |
| C68 | C69 | N18 | 116.5° | 120.0° |
| C70 | C68 | C71 | 110.8° | 109.5° |
| C68 | C70 | H109 | 109.5° | 109.5° |
| C68 | C70 | H110 | 109.5° | 109.5° |
| C68 | C70 | H111 | 109.5° | 109.4° |
| C68 | C71 | H112 | 109.5° | 109.5° |
| C68 | C71 | H113 | 109.5° | 109.5° |
| C68 | C71 | H114 | 109.5° | 109.5° |
| O19 | C69 | N18 | 123.0° | 120.1° |
| H109 | C70 | H110 | 109.5° | 109.5° |
| H109 | C70 | H111 | 109.5° | 109.4° |
| H110 | C70 | H111 | 109.5° | 109.5° |
| H112 | C71 | H113 | 109.5° | 109.4° |
| H112 | C71 | H114 | 109.5° | 109.5° |
| H113 | C71 | H114 | 109.5° | 109.5° |
| C72 | N18 | H115 | 118.9° | 120.0° |
| N18 | C72 | C73 | 111.0° | 109.4° |
| N18 | C72 | C74 | 106.9° | 109.4° |
| N18 | C72 | C75 | 110.9° | 109.5° |
| C72 | N18 | C69 | 122.1° | 120.0° |
| H115 | N18 | C69 | 118.9° | 120.1° |
| C73 | C72 | C74 | 106.4° | 109.5° |
| C73 | C72 | C75 | 110.7° | 109.5° |
| C72 | C73 | O20 | 120.5° | 120.0° |
| C72 | C73 | N19 | 115.0° | 120.0° |
| C74 | C72 | C75 | 110.8° | 109.5° |
| C72 | C74 | H116 | 109.5° | 109.5° |
| C72 | C74 | H117 | 109.4° | 109.5° |
| C72 | C74 | H118 | 109.4° | 109.5° |
| C72 | C75 | H119 | 109.5° | 109.5° |
| C72 | C75 | H120 | 109.5° | 109.4° |
| C72 | C75 | H121 | 109.5° | 109.5° |
| O20 | C73 | N19 | 124.5° | 120.0° |
| H116 | C74 | H117 | 109.5° | 109.5° |
| H116 | C74 | H118 | 109.5° | 109.4° |
| H117 | C74 | H118 | 109.5° | 109.5° |
| H119 | C75 | H120 | 109.5° | 109.5° |
| H119 | C75 | H121 | 109.4° | 109.5° |
| H120 | C75 | H121 | 109.4° | 109.5° |
| C76 | N19 | H122 | 119.5° | 120.0° |
| N19 | C76 | C77 | 110.3° | 109.4° |
| N19 | C76 | C78 | 111.0° | 109.5° |
| N19 | C76 | H123 | 108.8° | 109.5° |
| C76 | N19 | C73 | 121.0° | 120.0° |
| H122 | N19 | C73 | 119.5° | 120.0° |
| C77 | C76 | C78 | 111.0° | 109.5° |
| C77 | C76 | H123 | 107.8° | 109.5° |
| C76 | C77 | O21 | 120.5° | 120.0° |
| C76 | C77 | N21 | 118.3° | 120.0° |
| C78 | C76 | H123 | 107.8° | 109.5° |
| C76 | C78 | C79 | 111.0° | 109.5° |
| C76 | C78 | H124 | 109.1° | 109.5° |
| C76 | C78 | H125 | 109.1° | 109.5° |
| O21 | C77 | N21 | 121.2° | 120.0° |
| C79 | C78 | H124 | 109.1° | 109.4° |
| C79 | C78 | H125 | 109.1° | 109.5° |
| C78 | C79 | C80 | 111.0° | 109.5° |
| C78 | C79 | H126 | 109.1° | 109.5° |
| C78 | C79 | H127 | 109.1° | 109.5° |
| H124 | C78 | H125 | 109.5° | 109.5° |
| C80 | C79 | H126 | 109.1° | 109.5° |
| C80 | C79 | H127 | 109.1° | 109.5° |
| C79 | C80 | O22 | 121.9° | 120.0° |
| C79 | C80 | N20 | 114.0° | 120.0° |
| H126 | C79 | H127 | 109.4° | 109.5° |
| O22 | C80 | N20 | 124.0° | 120.0° |
| C80 | N20 | H128 | 120.0° | 120.0° |
| C80 | N20 | H129 | 120.0° | 120.0° |
| H128 | N20 | H129 | 120.0° | 120.0° |
| C81 | N21 | H130 | 119.4° | 119.9° |
| N21 | C81 | C82 | 108.8° | 109.5° |
| N21 | C81 | C91 | 111.7° | 109.5° |
| N21 | C81 | H131 | 109.6° | 109.4° |
| C81 | N21 | C77 | 121.2° | 120.0° |
| H130 | N21 | C77 | 119.4° | 120.1° |
| C82 | C81 | C91 | 109.6° | 109.5° |
| C82 | C81 | H131 | 108.5° | 109.5° |
| C81 | C82 | C83 | 109.6° | 109.5° |
| C81 | C82 | H132 | 109.4° | 109.5° |
| C81 | C82 | H133 | 109.5° | 109.4° |
| C91 | C81 | H131 | 108.5° | 109.5° |
| C81 | C91 | O23 | 108.9° | 109.5° |
| C81 | C91 | H140 | 109.6° | 109.5° |
| C81 | C91 | H141 | 109.6° | 109.5° |
| C83 | C82 | H132 | 109.4° | 109.5° |
| C83 | C82 | H133 | 109.4° | 109.4° |
| C82 | C83 | C84 | 128.5° | 126.6° |
| C82 | C83 | C85 | 124.2° | 126.5° |
| H132 | C82 | H133 | 109.4° | 109.5° |
| C84 | C83 | C85 | 107.3° | 107.0° |
| C83 | C84 | N22 | 109.1° | 109.9° |
| C83 | C84 | H134 | 125.5° | 125.0° |
| C83 | C85 | C86 | 134.9° | 134.0° |
| C83 | C85 | C87 | 102.3° | 106.1° |
| N22 | C84 | H134 | 125.5° | 125.1° |
| C84 | N22 | C87 | 111.8° | 109.9° |
| C84 | N22 | H136 | 124.1° | 125.0° |
| C86 | C85 | C87 | 122.8° | 119.9° |
| C85 | C86 | C88 | 116.5° | 119.7° |
| C85 | C86 | H135 | 121.8° | 120.1° |
| C85 | C87 | N22 | 109.5° | 107.1° |
| C85 | C87 | C89 | 121.3° | 119.4° |
| C88 | C86 | H135 | 121.8° | 120.2° |
| C86 | C88 | C90 | 121.2° | 120.6° |
| C86 | C88 | H137 | 119.4° | 119.7° |
| N22 | C87 | C89 | 129.2° | 133.5° |
| C87 | N22 | H136 | 124.0° | 125.1° |
| C87 | C89 | C90 | 117.0° | 119.8° |
| C87 | C89 | H138 | 121.5° | 120.2° |
| C90 | C88 | H137 | 119.4° | 119.7° |
| C88 | C90 | C89 | 121.3° | 120.6° |
| C88 | C90 | H139 | 119.3° | 119.7° |
| C90 | C89 | H138 | 121.5° | 120.1° |
| C89 | C90 | H139 | 119.4° | 119.7° |
| O23 | C91 | H140 | 109.6° | 109.5° |
| O23 | C91 | H141 | 109.6° | 109.5° |
| C91 | O23 | H142 | 109.5° | 114.0° |
| H140 | C91 | H141 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.9° | 179.8° |
| O1 | C1 | C2 | H1 | 0.0° | 90.0° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 29.9° |
| O1 | C1 | N1 | C3 | 0.0° | 0.0° |
| O1 | C1 | N1 | H4 | 180.0° | 179.9° |
| 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 | 179.9° | 179.8° |
| C2 | C1 | N1 | H4 | 0.1° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 179.9° | 89.8° |
| H2 | C2 | C1 | N1 | 60.1° | 30.2° |
| H3 | C2 | C1 | N1 | 59.9° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 117.6° | 120.0° |
| N1 | C3 | C4 | H5 | 122.5° | 120.0° |
| N1 | C3 | C5 | H5 | 120.0° | 120.0° |
| N1 | C3 | C4 | O2 | 141.9° | 20.0° |
| N1 | C3 | C5 | C6 | 169.6° | 65.0° |
| N1 | C3 | C5 | H6 | 48.9° | 55.0° |
| N1 | C3 | C5 | H7 | 69.8° | 175.0° |
| N1 | C3 | C4 | N2 | 38.1° | 160.0° |
| H4 | N1 | C3 | C4 | 124.2° | 119.9° |
| H4 | N1 | C3 | C5 | 5.4° | 120.0° |
| H4 | N1 | C3 | H5 | 113.9° | 0.0° |
| C4 | C3 | C5 | H5 | 119.9° | 120.0° |
| C3 | C4 | O2 | N2 | 180.0° | 180.0° |
| C4 | C3 | C5 | C6 | 70.3° | 175.0° |
| C4 | C3 | C5 | H6 | 169.0° | 65.0° |
| C4 | C3 | C5 | H7 | 50.3° | 55.0° |
| C3 | C4 | N2 | C12 | 175.9° | 180.0° |
| C3 | C4 | N2 | H13 | 4.1° | 0.0° |
| C4 | C3 | N1 | C1 | 55.8° | 60.0° |
| C5 | C3 | C4 | O2 | 100.5° | 100.0° |
| C3 | C5 | C6 | H6 | 120.7° | 120.0° |
| C3 | C5 | C6 | H7 | 120.7° | 120.0° |
| C3 | C5 | H6 | H7 | 117.9° | 120.0° |
| C3 | C5 | C6 | C7 | 82.4° | 90.0° |
| C3 | C5 | C6 | C8 | 97.5° | 90.3° |
| C5 | C3 | N1 | C1 | 174.6° | 60.0° |
| C5 | C3 | C4 | N2 | 79.5° | 80.0° |
| H5 | C3 | C4 | O2 | 19.4° | 140.0° |
| H5 | C3 | C5 | C6 | 49.6° | 55.0° |
| H5 | C3 | C5 | H6 | 71.1° | 175.0° |
| H5 | C3 | C5 | H7 | 170.2° | 65.0° |
| H5 | C3 | N1 | C1 | 66.1° | 180.0° |
| H5 | C3 | C4 | N2 | 160.6° | 40.1° |
| O2 | C4 | N2 | C12 | 4.1° | 0.0° |
| O2 | C4 | N2 | H13 | 175.9° | 180.0° |
| C6 | C5 | H6 | H7 | 117.9° | 120.0° |
| C5 | C6 | C7 | C8 | 179.9° | 179.7° |
| C5 | C6 | C7 | C9 | 180.0° | 180.0° |
| C5 | C6 | C7 | H8 | 0.0° | 0.0° |
| C5 | C6 | C8 | C10 | 180.0° | 180.0° |
| C5 | C6 | C8 | H9 | 0.0° | 0.0° |
| H6 | C5 | C6 | C7 | 38.3° | 30.0° |
| H6 | C5 | C6 | C8 | 141.8° | 149.7° |
| H7 | C5 | C6 | C7 | 156.9° | 150.0° |
| H7 | C5 | C6 | C8 | 23.2° | 29.7° |
| C6 | C7 | C9 | H8 | 180.0° | 180.0° |
| C7 | C6 | C8 | C10 | 0.1° | 0.4° |
| C7 | C6 | C8 | H9 | 179.9° | 179.7° |
| C6 | C7 | C9 | C11 | 0.0° | NaN° |
| C6 | C7 | C9 | H10 | 180.0° | 179.9° |
| C8 | C6 | C7 | C9 | 0.0° | 0.3° |
| C8 | C6 | C7 | H8 | 180.0° | 179.7° |
| C6 | C8 | C10 | H9 | 180.0° | 179.9° |
| C6 | C8 | C10 | C11 | 0.1° | 0.1° |
| C6 | C8 | C10 | H11 | 179.9° | 180.0° |
| C7 | C9 | C11 | H10 | 180.0° | 179.9° |
| C7 | C9 | C11 | C10 | 0.0° | 0.2° |
| C7 | C9 | C11 | H12 | 180.0° | 180.0° |
| H8 | C7 | C9 | C11 | 180.0° | 180.0° |
| H8 | C7 | C9 | H10 | 0.0° | 0.1° |
| C8 | C10 | C11 | C9 | 0.0° | 0.2° |
| C8 | C10 | C11 | H11 | 180.0° | 179.9° |
| C8 | C10 | C11 | H12 | 180.0° | 180.0° |
| H9 | C8 | C10 | C11 | 179.9° | 180.0° |
| H9 | C8 | C10 | H11 | 0.1° | 0.1° |
| C9 | C11 | C10 | H12 | 180.0° | 179.8° |
| C9 | C11 | C10 | H11 | 180.0° | 179.7° |
| H10 | C9 | C11 | C10 | 180.0° | 179.8° |
| H10 | C9 | C11 | H12 | 0.0° | 0.1° |
| H11 | C10 | C11 | H12 | 0.0° | 0.1° |
| C12 | N2 | H13 | C4 | 180.0° | 180.0° |
| N2 | C12 | C13 | C14 | 116.0° | 120.0° |
| N2 | C12 | C13 | C15 | 123.6° | 120.0° |
| N2 | C12 | C14 | C15 | 121.0° | 120.0° |
| N2 | C12 | C13 | O3 | 131.0° | 145.0° |
| N2 | C12 | C14 | H14 | 180.0° | 60.0° |
| N2 | C12 | C14 | H15 | 60.0° | 180.0° |
| N2 | C12 | C14 | H16 | 60.0° | 60.0° |
| N2 | C12 | C15 | H17 | 180.0° | 60.0° |
| N2 | C12 | C15 | H18 | 60.0° | 180.0° |
| N2 | C12 | C15 | H19 | 60.0° | 60.0° |
| N2 | C12 | C13 | N3 | 48.3° | 35.0° |
| H13 | N2 | C12 | C13 | 123.0° | 0.0° |
| H13 | N2 | C12 | C14 | 7.4° | 120.0° |
| H13 | N2 | C12 | C15 | 113.6° | 120.0° |
| C13 | C12 | C14 | C15 | 120.4° | 120.0° |
| C12 | C13 | O3 | N3 | 179.2° | 180.0° |
| C13 | C12 | C14 | H14 | 61.3° | 180.0° |
| C13 | C12 | C14 | H15 | 178.7° | 60.0° |
| C13 | C12 | C14 | H16 | 58.7° | 60.0° |
| C13 | C12 | C15 | H17 | 56.4° | 60.0° |
| C13 | C12 | C15 | H18 | 63.6° | 60.0° |
| C13 | C12 | C15 | H19 | 176.4° | 180.0° |
| C12 | C13 | N3 | C16 | 179.3° | 180.0° |
| C12 | C13 | N3 | H20 | 0.7° | 0.0° |
| C13 | C12 | N2 | C4 | 57.0° | 180.0° |
| C14 | C12 | C13 | O3 | 113.0° | 25.0° |
| C12 | C14 | H14 | H15 | 120.0° | 120.0° |
| C12 | C14 | H14 | H16 | 120.0° | 120.0° |
| C12 | C14 | H15 | H16 | 120.0° | 120.0° |
| C14 | C12 | C15 | H17 | 61.4° | 180.0° |
| C14 | C12 | C15 | H18 | 178.6° | 59.9° |
| C14 | C12 | C15 | H19 | 58.6° | 60.0° |
| C14 | C12 | N2 | C4 | 172.7° | 60.1° |
| C14 | C12 | C13 | N3 | 67.7° | 155.0° |
| C15 | C12 | C13 | O3 | 7.5° | 95.0° |
| C15 | C12 | C14 | H14 | 59.0° | 60.0° |
| C15 | C12 | C14 | H15 | 60.9° | 60.0° |
| C15 | C12 | C14 | H16 | 179.1° | 180.0° |
| C12 | C15 | H17 | H18 | 120.0° | 120.0° |
| C12 | C15 | H17 | H19 | 120.0° | 120.0° |
| C12 | C15 | H18 | H19 | 120.0° | 120.0° |
| C15 | C12 | N2 | C4 | 66.4° | 60.0° |
| C15 | C12 | C13 | N3 | 171.8° | 85.0° |
| O3 | C13 | N3 | C16 | 0.0° | 0.0° |
| O3 | C13 | N3 | H20 | 180.0° | 180.0° |
| H14 | C14 | H15 | H16 | 120.0° | 120.0° |
| H17 | C15 | H18 | H19 | 120.0° | 120.0° |
| C16 | N3 | H20 | C13 | 180.0° | 180.0° |
| N3 | C16 | C17 | C18 | 122.9° | 120.0° |
| N3 | C16 | C17 | H21 | 119.1° | 120.0° |
| N3 | C16 | C18 | H21 | 119.7° | 120.0° |
| N3 | C16 | C17 | O4 | 168.7° | 0.0° |
| N3 | C16 | C18 | O5 | 59.6° | 65.0° |
| N3 | C16 | C18 | H22 | 60.8° | 175.0° |
| N3 | C16 | C18 | H23 | 179.9° | 55.0° |
| N3 | C16 | C17 | N4 | 11.3° | 180.0° |
| H20 | N3 | C16 | C17 | 97.6° | 25.0° |
| H20 | N3 | C16 | C18 | 24.8° | 95.0° |
| H20 | N3 | C16 | H21 | 143.9° | 145.0° |
| C17 | C16 | C18 | H21 | 118.1° | 120.0° |
| C16 | C17 | O4 | N4 | 180.0° | 180.0° |
| C17 | C16 | C18 | O5 | 178.2° | 55.0° |
| C17 | C16 | C18 | H22 | 61.4° | 65.0° |
| C17 | C16 | C18 | H23 | 57.8° | 175.0° |
| C16 | C17 | N4 | C19 | 175.9° | 180.0° |
| C16 | C17 | N4 | H25 | 4.1° | 0.0° |
| C17 | C16 | N3 | C13 | 82.4° | 155.0° |
| C18 | C16 | C17 | O4 | 68.5° | 120.0° |
| C16 | C18 | O5 | H22 | 120.4° | 120.0° |
| C16 | C18 | O5 | H23 | 120.4° | 120.0° |
| C16 | C18 | H22 | H23 | 118.8° | 120.0° |
| C16 | C18 | O5 | H24 | 180.0° | 180.0° |
| C18 | C16 | N3 | C13 | 155.2° | 85.0° |
| C18 | C16 | C17 | N4 | 111.6° | 60.0° |
| H21 | C16 | C17 | O4 | 49.6° | 120.0° |
| H21 | C16 | C18 | O5 | 60.1° | 175.0° |
| H21 | C16 | C18 | H22 | 179.5° | 54.9° |
| H21 | C16 | C18 | H23 | 60.2° | 65.0° |
| H21 | C16 | N3 | C13 | 36.1° | 35.1° |
| H21 | C16 | C17 | N4 | 130.4° | 60.0° |
| O4 | C17 | N4 | C19 | 4.1° | 0.0° |
| O4 | C17 | N4 | H25 | 175.9° | 179.9° |
| O5 | C18 | H22 | H23 | 118.8° | 120.0° |
| H22 | C18 | O5 | H24 | 59.6° | 60.0° |
| H23 | C18 | O5 | H24 | 59.6° | 60.0° |
| C19 | N4 | H25 | C17 | 180.0° | 180.0° |
| N4 | C19 | C20 | C21 | 116.0° | 120.0° |
| N4 | C19 | C20 | C22 | 123.6° | 120.0° |
| N4 | C19 | C21 | C22 | 120.9° | 120.1° |
| N4 | C19 | C20 | O6 | 133.9° | 145.0° |
| N4 | C19 | C21 | H26 | 180.0° | 60.1° |
| N4 | C19 | C21 | H27 | 60.0° | 179.9° |
| N4 | C19 | C21 | H28 | 60.0° | 59.9° |
| N4 | C19 | C22 | H29 | 180.0° | 59.9° |
| N4 | C19 | C22 | H30 | 60.0° | 180.0° |
| N4 | C19 | C22 | H31 | 60.0° | 60.0° |
| N4 | C19 | C20 | N5 | 45.4° | 35.0° |
| H25 | N4 | C19 | C20 | 103.2° | 0.0° |
| H25 | N4 | C19 | C21 | 12.5° | 120.0° |
| H25 | N4 | C19 | C22 | 133.4° | 119.9° |
| C20 | C19 | C21 | C22 | 120.3° | 120.0° |
| C19 | C20 | O6 | N5 | 179.2° | 180.0° |
| C20 | C19 | C21 | H26 | 61.3° | 180.0° |
| C20 | C19 | C21 | H27 | 178.8° | 60.0° |
| C20 | C19 | C21 | H28 | 58.7° | 60.0° |
| C20 | C19 | C22 | H29 | 56.3° | 60.0° |
| C20 | C19 | C22 | H30 | 63.7° | 60.0° |
| C20 | C19 | C22 | H31 | 176.3° | 180.0° |
| C19 | C20 | N5 | C23 | 178.4° | 180.0° |
| C19 | C20 | N5 | H32 | 1.5° | 0.1° |
| C20 | C19 | N4 | C17 | 76.8° | 180.0° |
| C21 | C19 | C20 | O6 | 110.1° | 25.0° |
| C19 | C21 | H26 | H27 | 120.0° | 120.0° |
| C19 | C21 | H26 | H28 | 120.0° | 120.0° |
| C19 | C21 | H27 | H28 | 120.0° | 120.0° |
| C21 | C19 | C22 | H29 | 61.5° | 180.0° |
| C21 | C19 | C22 | H30 | 178.5° | 60.0° |
| C21 | C19 | C22 | H31 | 58.6° | 60.1° |
| C21 | C19 | N4 | C17 | 167.5° | 60.0° |
| C21 | C19 | C20 | N5 | 70.6° | 155.0° |
| C22 | C19 | C20 | O6 | 10.3° | 95.0° |
| C22 | C19 | C21 | H26 | 59.1° | 60.0° |
| C22 | C19 | C21 | H27 | 60.9° | 60.0° |
| C22 | C19 | C21 | H28 | 179.0° | 180.0° |
| C19 | C22 | H29 | H30 | 120.0° | 120.1° |
| C19 | C22 | H29 | H31 | 120.0° | 119.9° |
| C19 | C22 | H30 | H31 | 120.0° | 120.0° |
| C22 | C19 | N4 | C17 | 46.6° | 60.0° |
| C22 | C19 | C20 | N5 | 169.0° | 85.1° |
| O6 | C20 | N5 | C23 | 0.8° | 0.1° |
| O6 | C20 | N5 | H32 | 179.2° | 179.9° |
| H26 | C21 | H27 | H28 | 120.0° | 120.0° |
| H29 | C22 | H30 | H31 | 120.0° | 120.0° |
| C23 | N5 | H32 | C20 | 180.0° | 179.9° |
| N5 | C23 | C24 | C26 | 126.2° | 120.0° |
| N5 | C23 | C24 | C27 | 116.2° | 120.0° |
| N5 | C23 | C26 | C27 | 115.9° | 120.0° |
| N5 | C23 | C24 | C25 | 64.5° | 55.0° |
| N5 | C23 | C24 | H33 | 174.6° | 65.0° |
| N5 | C23 | C24 | H34 | 56.4° | 175.0° |
| N5 | C23 | C26 | H38 | 180.0° | 60.0° |
| N5 | C23 | C26 | H39 | 60.0° | 180.0° |
| N5 | C23 | C26 | H40 | 60.0° | 60.0° |
| N5 | C23 | C27 | O7 | 135.6° | 145.0° |
| N5 | C23 | C27 | N6 | 44.3° | 35.0° |
| H32 | N5 | C23 | C24 | 131.3° | 120.1° |
| H32 | N5 | C23 | C26 | 2.9° | 119.9° |
| H32 | N5 | C23 | C27 | 112.9° | 0.1° |
| C24 | C23 | C26 | C27 | 117.3° | 120.0° |
| C23 | C24 | C25 | H33 | 120.9° | 120.0° |
| C23 | C24 | C25 | H34 | 120.9° | 120.0° |
| C23 | C24 | H33 | H34 | 117.3° | 120.0° |
| C23 | C24 | C25 | H35 | 180.0° | 60.0° |
| C23 | C24 | C25 | H36 | 60.0° | 60.0° |
| C23 | C24 | C25 | H37 | 60.0° | 180.0° |
| C24 | C23 | C26 | H38 | 53.2° | 180.0° |
| C24 | C23 | C26 | H39 | 66.8° | 60.0° |
| C24 | C23 | C26 | H40 | 173.2° | 60.0° |
| C24 | C23 | C27 | O7 | 16.4° | 25.0° |
| C24 | C23 | N5 | C20 | 48.7° | 60.0° |
| C24 | C23 | C27 | N6 | 163.5° | 155.0° |
| C26 | C23 | C24 | C25 | 61.7° | 175.0° |
| C26 | C23 | C24 | H33 | 59.1° | 55.0° |
| C26 | C23 | C24 | H34 | 177.4° | 65.0° |
| C23 | C26 | H38 | H39 | 120.0° | 120.0° |
| C23 | C26 | H38 | H40 | 120.0° | 120.0° |
| C23 | C26 | H39 | H40 | 120.0° | 120.0° |
| C26 | C23 | C27 | O7 | 106.2° | 95.0° |
| C26 | C23 | N5 | C20 | 177.2° | 59.9° |
| C26 | C23 | C27 | N6 | 73.9° | 85.0° |
| C27 | C23 | C24 | C25 | 179.3° | 65.0° |
| C27 | C23 | C24 | H33 | 58.4° | 175.0° |
| C27 | C23 | C24 | H34 | 59.8° | 55.0° |
| C27 | C23 | C26 | H38 | 64.1° | 60.0° |
| C27 | C23 | C26 | H39 | 175.9° | 60.0° |
| C27 | C23 | C26 | H40 | 55.9° | 180.0° |
| C23 | C27 | O7 | N6 | 179.9° | 180.0° |
| C23 | C27 | N6 | C28 | 180.0° | 180.0° |
| C23 | C27 | N6 | H41 | 0.1° | 0.0° |
| C27 | C23 | N5 | C20 | 67.1° | 180.0° |
| C25 | C24 | H33 | H34 | 117.2° | 120.0° |
| C24 | C25 | H35 | H36 | 120.0° | 120.0° |
| C24 | C25 | H35 | H37 | 120.0° | 120.0° |
| C24 | C25 | H36 | H37 | 120.0° | 120.0° |
| H33 | C24 | C25 | H35 | 59.1° | 180.0° |
| H33 | C24 | C25 | H36 | 179.1° | 60.0° |
| H33 | C24 | C25 | H37 | 60.9° | 60.0° |
| H34 | C24 | C25 | H35 | 59.1° | 60.0° |
| H34 | C24 | C25 | H36 | 60.9° | 180.0° |
| H34 | C24 | C25 | H37 | 179.1° | 60.0° |
| H35 | C25 | H36 | H37 | 120.0° | 120.0° |
| H38 | C26 | H39 | H40 | 120.0° | 120.0° |
| O7 | C27 | N6 | C28 | 0.1° | 0.0° |
| O7 | C27 | N6 | H41 | 179.9° | 180.0° |
| C28 | N6 | H41 | C27 | 180.0° | 180.0° |
| N6 | C28 | C29 | C30 | 124.0° | 120.0° |
| N6 | C28 | C29 | H42 | 117.3° | 120.0° |
| N6 | C28 | C30 | H42 | 118.0° | 120.0° |
| N6 | C28 | C29 | O8 | 139.3° | 0.0° |
| N6 | C28 | C30 | C31 | 121.7° | 65.0° |
| N6 | C28 | C30 | H43 | 0.8° | 55.1° |
| N6 | C28 | C30 | H44 | 117.3° | 175.0° |
| N6 | C28 | C29 | N7 | 40.7° | 180.0° |
| H41 | N6 | C28 | C29 | 134.0° | 25.0° |
| H41 | N6 | C28 | C30 | 8.1° | 95.0° |
| H41 | N6 | C28 | H42 | 109.3° | 145.0° |
| C29 | C28 | C30 | H42 | 118.7° | 120.0° |
| C28 | C29 | O8 | N7 | 180.0° | 180.0° |
| C29 | C28 | C30 | C31 | 114.9° | 175.0° |
| C29 | C28 | C30 | H43 | 124.1° | 65.0° |
| C29 | C28 | C30 | H44 | 6.0° | 55.0° |
| C28 | C29 | N7 | C34 | 180.0° | 180.0° |
| C28 | C29 | N7 | H52 | 0.0° | 0.1° |
| C29 | C28 | N6 | C27 | 46.0° | 155.0° |
| C30 | C28 | C29 | O8 | 96.7° | 120.0° |
| C28 | C30 | C31 | H43 | 121.0° | 120.0° |
| C28 | C30 | C31 | H44 | 120.9° | 120.0° |
| C28 | C30 | H43 | H44 | 117.0° | 120.0° |
| C28 | C30 | C31 | C32 | 44.4° | 175.0° |
| C28 | C30 | C31 | C33 | 169.6° | 65.0° |
| C28 | C30 | C31 | H45 | 73.0° | 55.0° |
| C30 | C28 | N6 | C27 | 171.9° | 85.0° |
| C30 | C28 | C29 | N7 | 83.3° | 60.0° |
| H42 | C28 | C29 | O8 | 22.0° | 120.0° |
| H42 | C28 | C30 | C31 | 3.8° | 55.0° |
| H42 | C28 | C30 | H43 | 117.2° | 175.0° |
| H42 | C28 | C30 | H44 | 124.7° | 65.1° |
| H42 | C28 | N6 | C27 | 70.7° | 35.0° |
| H42 | C28 | C29 | N7 | 158.0° | 60.0° |
| O8 | C29 | N7 | C34 | 0.0° | 0.0° |
| O8 | C29 | N7 | H52 | 180.0° | 179.9° |
| C31 | C30 | H43 | H44 | 117.0° | 120.0° |
| C30 | C31 | C32 | C33 | 124.7° | 120.0° |
| C30 | C31 | C32 | H45 | 117.4° | 120.0° |
| C30 | C31 | C33 | H45 | 117.4° | 120.0° |
| C30 | C31 | C32 | H46 | 180.0° | 60.0° |
| C30 | C31 | C32 | H47 | 60.0° | 180.0° |
| C30 | C31 | C32 | H48 | 60.0° | 60.0° |
| C30 | C31 | C33 | H49 | 180.0° | 60.0° |
| C30 | C31 | C33 | H50 | 60.0° | 60.0° |
| C30 | C31 | C33 | H51 | 60.0° | 180.0° |
| H43 | C30 | C31 | C32 | 76.6° | 55.0° |
| H43 | C30 | C31 | C33 | 48.6° | 174.9° |
| H43 | C30 | C31 | H45 | 166.0° | 65.0° |
| H44 | C30 | C31 | C32 | 165.3° | 65.0° |
| H44 | C30 | C31 | C33 | 69.5° | 55.0° |
| H44 | C30 | C31 | H45 | 47.9° | 175.0° |
| C32 | C31 | C33 | H45 | 117.9° | 120.0° |
| C31 | C32 | H46 | H47 | 120.0° | 120.0° |
| C31 | C32 | H46 | H48 | 120.0° | 120.0° |
| C31 | C32 | H47 | H48 | 120.0° | 120.0° |
| C32 | C31 | C33 | H49 | 55.3° | 60.0° |
| C32 | C31 | C33 | H50 | 64.7° | 180.0° |
| C32 | C31 | C33 | H51 | 175.3° | 60.0° |
| C33 | C31 | C32 | H46 | 55.3° | 60.0° |
| C33 | C31 | C32 | H47 | 175.3° | 60.0° |
| C33 | C31 | C32 | H48 | 64.7° | 180.0° |
| C31 | C33 | H49 | H50 | 120.0° | 120.0° |
| C31 | C33 | H49 | H51 | 120.0° | 120.0° |
| C31 | C33 | H50 | H51 | 120.0° | 120.0° |
| H45 | C31 | C32 | H46 | 62.6° | NaN° |
| H45 | C31 | C32 | H47 | 57.4° | 60.0° |
| H45 | C31 | C32 | H48 | 177.4° | 60.0° |
| H45 | C31 | C33 | H49 | 62.6° | 180.0° |
| H45 | C31 | C33 | H50 | 177.4° | 60.0° |
| H45 | C31 | C33 | H51 | 57.4° | 60.0° |
| H46 | C32 | H47 | H48 | 120.0° | 120.0° |
| H49 | C33 | H50 | H51 | 120.0° | 120.0° |
| C34 | N7 | H52 | C29 | 180.0° | 179.9° |
| N7 | C34 | C35 | C36 | 123.4° | 120.0° |
| N7 | C34 | C35 | H53 | 118.7° | 120.0° |
| N7 | C34 | C36 | H53 | 119.1° | 120.0° |
| N7 | C34 | C35 | O9 | 144.9° | 0.0° |
| N7 | C34 | C36 | C37 | 94.7° | 65.0° |
| N7 | C34 | C36 | H54 | 25.5° | 55.0° |
| N7 | C34 | C36 | H55 | 145.0° | 175.0° |
| N7 | C34 | C35 | N9 | 35.0° | 180.0° |
| H52 | N7 | C34 | C35 | 114.3° | 25.1° |
| H52 | N7 | C34 | C36 | 9.1° | 94.9° |
| H52 | N7 | C34 | H53 | 127.6° | 145.1° |
| C35 | C34 | C36 | H53 | 117.9° | 120.0° |
| C34 | C35 | O9 | N9 | 179.9° | 180.0° |
| C35 | C34 | C36 | C37 | 142.2° | 175.0° |
| C35 | C34 | C36 | H54 | 97.5° | 65.0° |
| C35 | C34 | C36 | H55 | 22.0° | 55.0° |
| C34 | C35 | N9 | C39 | 180.0° | 180.0° |
| C34 | C35 | N9 | H60 | 0.0° | 0.0° |
| C35 | C34 | N7 | C29 | 65.7° | 155.0° |
| C36 | C34 | C35 | O9 | 91.7° | 120.0° |
| C34 | C36 | C37 | H54 | 120.2° | 120.0° |
| C34 | C36 | C37 | H55 | 120.2° | 120.0° |
| C34 | C36 | H54 | H55 | 119.3° | 120.0° |
| C34 | C36 | C37 | C38 | 149.5° | 180.0° |
| C34 | C36 | C37 | H56 | 29.3° | 60.0° |
| C34 | C36 | C37 | H57 | 90.3° | 60.0° |
| C36 | C34 | N7 | C29 | 170.9° | 85.0° |
| C36 | C34 | C35 | N9 | 88.4° | 60.0° |
| H53 | C34 | C35 | O9 | 26.2° | 120.0° |
| H53 | C34 | C36 | C37 | 24.3° | 55.0° |
| H53 | C34 | C36 | H54 | 144.6° | 175.0° |
| H53 | C34 | C36 | H55 | 95.9° | 65.0° |
| H53 | C34 | N7 | C29 | 52.4° | 35.0° |
| H53 | C34 | C35 | N9 | 153.7° | 60.0° |
| O9 | C35 | N9 | C39 | 0.1° | 0.0° |
| O9 | C35 | N9 | H60 | 180.0° | 180.0° |
| C37 | C36 | H54 | H55 | 119.3° | 119.9° |
| C36 | C37 | C38 | H56 | 120.2° | 120.0° |
| C36 | C37 | C38 | H57 | 120.2° | 120.0° |
| C36 | C37 | H56 | H57 | 119.3° | 119.9° |
| C36 | C37 | C38 | O10 | 34.9° | 0.0° |
| C36 | C37 | C38 | N8 | 145.2° | 180.0° |
| H54 | C36 | C37 | C38 | 90.2° | 59.9° |
| H54 | C36 | C37 | H56 | 149.5° | 180.0° |
| H54 | C36 | C37 | H57 | 30.0° | 60.1° |
| H55 | C36 | C37 | C38 | 29.3° | 60.0° |
| H55 | C36 | C37 | H56 | 91.0° | 60.1° |
| H55 | C36 | C37 | H57 | 149.5° | 180.0° |
| C38 | C37 | H56 | H57 | 119.3° | 120.0° |
| C37 | C38 | O10 | N8 | 179.9° | 179.9° |
| C37 | C38 | N8 | H58 | 179.9° | 0.1° |
| C37 | C38 | N8 | H59 | 0.1° | 180.0° |
| H56 | C37 | C38 | O10 | 85.3° | 120.0° |
| H56 | C37 | C38 | N8 | 94.6° | 59.9° |
| H57 | C37 | C38 | O10 | 155.1° | 120.0° |
| H57 | C37 | C38 | N8 | 24.9° | 60.1° |
| O10 | C38 | N8 | H58 | 0.0° | 179.9° |
| O10 | C38 | N8 | H59 | 180.0° | 0.1° |
| C38 | N8 | H58 | H59 | 180.0° | 179.8° |
| C39 | N9 | H60 | C35 | 180.0° | 180.0° |
| N9 | C39 | C40 | H61 | 120.2° | 120.0° |
| N9 | C39 | C40 | H62 | 120.2° | 120.0° |
| N9 | C39 | H61 | H62 | 119.3° | 120.0° |
| N9 | C39 | C40 | O11 | 138.2° | 0.0° |
| N9 | C39 | C40 | N10 | 41.8° | 180.0° |
| H60 | N9 | C39 | C40 | 100.2° | 0.0° |
| H60 | N9 | C39 | H61 | 139.6° | 119.9° |
| H60 | N9 | C39 | H62 | 20.0° | 120.0° |
| C40 | C39 | H61 | H62 | 119.3° | 120.0° |
| C39 | C40 | O11 | N10 | 180.0° | 180.0° |
| C39 | C40 | N10 | C41 | 175.9° | 180.0° |
| C39 | C40 | N10 | H63 | 4.1° | 0.0° |
| C40 | C39 | N9 | C35 | 79.8° | 180.0° |
| H61 | C39 | C40 | O11 | 18.0° | 120.0° |
| H61 | C39 | C40 | N10 | 162.0° | 60.0° |
| H61 | C39 | N9 | C35 | 40.4° | 60.0° |
| H62 | C39 | C40 | O11 | 101.6° | 120.0° |
| H62 | C39 | C40 | N10 | 78.4° | 60.0° |
| H62 | C39 | N9 | C35 | 160.0° | 60.0° |
| O11 | C40 | N10 | C41 | 4.1° | 0.0° |
| O11 | C40 | N10 | H63 | 175.9° | 180.0° |
| C41 | N10 | H63 | C40 | 180.0° | 180.0° |
| N10 | C41 | C42 | C43 | 116.0° | 120.0° |
| N10 | C41 | C42 | C44 | 123.6° | 120.0° |
| N10 | C41 | C43 | C44 | 121.0° | 120.0° |
| N10 | C41 | C42 | O12 | 128.7° | 145.0° |
| N10 | C41 | C43 | H64 | 180.0° | 60.0° |
| N10 | C41 | C43 | H65 | 60.0° | 180.0° |
| N10 | C41 | C43 | H66 | 60.0° | 60.0° |
| N10 | C41 | C44 | H67 | 180.0° | 60.0° |
| N10 | C41 | C44 | H68 | 60.0° | 179.9° |
| N10 | C41 | C44 | H69 | 60.0° | 60.0° |
| N10 | C41 | C42 | N11 | 50.6° | 35.0° |
| H63 | N10 | C41 | C42 | 125.3° | 0.0° |
| H63 | N10 | C41 | C43 | 9.7° | 120.0° |
| H63 | N10 | C41 | C44 | 111.2° | 120.0° |
| C42 | C41 | C43 | C44 | 120.3° | 120.0° |
| C41 | C42 | O12 | N11 | 179.2° | 180.0° |
| C42 | C41 | C43 | H64 | 61.3° | 180.0° |
| C42 | C41 | C43 | H65 | 178.7° | 60.0° |
| C42 | C41 | C43 | H66 | 58.7° | 60.0° |
| C42 | C41 | C44 | H67 | 56.3° | 60.0° |
| C42 | C41 | C44 | H68 | 63.7° | 60.0° |
| C42 | C41 | C44 | H69 | 176.3° | 179.9° |
| C41 | C42 | N11 | C45 | 175.1° | 180.0° |
| C41 | C42 | N11 | H70 | 4.9° | 0.0° |
| C42 | C41 | N10 | C40 | 54.6° | 180.0° |
| C43 | C41 | C42 | O12 | 115.4° | 25.0° |
| C41 | C43 | H64 | H65 | 120.0° | 120.0° |
| C41 | C43 | H64 | H66 | 120.0° | 120.0° |
| C41 | C43 | H65 | H66 | 120.0° | 120.0° |
| C43 | C41 | C44 | H67 | 61.4° | 180.0° |
| C43 | C41 | C44 | H68 | 178.6° | 60.0° |
| C43 | C41 | C44 | H69 | 58.6° | 59.9° |
| C43 | C41 | N10 | C40 | 170.3° | 60.0° |
| C43 | C41 | C42 | N11 | 65.4° | 155.0° |
| C44 | C41 | C42 | O12 | 5.1° | 95.0° |
| C44 | C41 | C43 | H64 | 59.0° | 60.0° |
| C44 | C41 | C43 | H65 | 61.0° | 60.0° |
| C44 | C41 | C43 | H66 | 179.1° | 180.0° |
| C41 | C44 | H67 | H68 | 120.0° | 120.0° |
| C41 | C44 | H67 | H69 | 120.0° | 120.0° |
| C41 | C44 | H68 | H69 | 120.0° | 119.9° |
| C44 | C41 | N10 | C40 | 68.8° | 60.0° |
| C44 | C41 | C42 | N11 | 174.2° | 85.0° |
| O12 | C42 | N11 | C45 | 4.1° | 0.0° |
| O12 | C42 | N11 | H70 | 175.8° | 180.0° |
| H64 | C43 | H65 | H66 | 120.0° | 120.0° |
| H67 | C44 | H68 | H69 | 120.0° | 120.0° |
| C45 | N11 | H70 | C42 | 180.0° | 180.0° |
| N11 | C45 | C46 | C47 | 116.0° | 120.0° |
| N11 | C45 | C46 | C48 | 123.6° | 120.0° |
| N11 | C45 | C47 | C48 | 120.9° | 120.0° |
| N11 | C45 | C46 | O13 | 149.9° | 145.0° |
| N11 | C45 | C47 | H71 | 180.0° | 59.9° |
| N11 | C45 | C47 | H72 | 60.0° | 180.0° |
| N11 | C45 | C47 | H73 | 60.0° | 60.0° |
| N11 | C45 | C48 | H74 | 180.0° | 60.1° |
| N11 | C45 | C48 | H75 | 60.0° | 180.0° |
| N11 | C45 | C48 | H76 | 60.0° | 60.0° |
| N11 | C45 | C46 | N12 | 29.4° | 35.0° |
| H70 | N11 | C45 | C46 | 117.9° | 0.0° |
| H70 | N11 | C45 | C47 | 2.2° | 120.0° |
| H70 | N11 | C45 | C48 | 118.7° | 120.0° |
| C46 | C45 | C47 | C48 | 120.3° | 120.0° |
| C45 | C46 | O13 | N12 | 179.2° | 180.0° |
| C46 | C45 | C47 | H71 | 61.3° | 180.0° |
| C46 | C45 | C47 | H72 | 178.7° | 60.0° |
| C46 | C45 | C47 | H73 | 58.7° | 60.0° |
| C46 | C45 | C48 | H74 | 56.4° | 59.9° |
| C46 | C45 | C48 | H75 | 63.6° | 60.0° |
| C46 | C45 | C48 | H76 | 176.3° | 180.0° |
| C45 | C46 | N12 | C49 | 179.2° | 180.0° |
| C45 | C46 | N12 | H77 | 0.8° | 0.0° |
| C46 | C45 | N11 | C42 | 62.1° | 180.0° |
| C47 | C45 | C46 | O13 | 94.0° | 25.0° |
| C45 | C47 | H71 | H72 | 120.0° | 120.0° |
| C45 | C47 | H71 | H73 | 120.0° | 119.9° |
| C45 | C47 | H72 | H73 | 120.0° | 119.9° |
| C47 | C45 | C48 | H74 | 61.4° | 180.0° |
| C47 | C45 | C48 | H75 | 178.6° | 60.0° |
| C47 | C45 | C48 | H76 | 58.6° | 59.9° |
| C47 | C45 | N11 | C42 | 177.8° | 60.0° |
| C47 | C45 | C46 | N12 | 86.7° | 155.0° |
| C48 | C45 | C46 | O13 | 26.4° | 95.1° |
| C48 | C45 | C47 | H71 | 59.1° | 60.0° |
| C48 | C45 | C47 | H72 | 61.0° | 60.0° |
| C48 | C45 | C47 | H73 | 179.1° | 180.0° |
| C45 | C48 | H74 | H75 | 120.0° | 119.9° |
| C45 | C48 | H74 | H76 | 120.0° | 120.0° |
| C45 | C48 | H75 | H76 | 120.0° | 119.9° |
| C48 | C45 | N11 | C42 | 61.3° | 60.0° |
| C48 | C45 | C46 | N12 | 152.9° | 85.0° |
| O13 | C46 | N12 | C49 | 0.0° | 0.0° |
| O13 | C46 | N12 | H77 | 180.0° | 180.0° |
| H71 | C47 | H72 | H73 | 120.0° | 120.0° |
| H74 | C48 | H75 | H76 | 120.0° | 120.1° |
| C49 | N12 | H77 | C46 | 180.0° | 180.0° |
| N12 | C49 | C50 | C51 | 121.8° | 120.1° |
| N12 | C49 | C50 | H78 | 118.8° | 120.0° |
| N12 | C49 | C51 | H78 | 118.9° | 120.0° |
| N12 | C49 | C50 | O14 | 167.2° | 0.1° |
| N12 | C49 | C51 | H79 | 180.0° | 60.1° |
| N12 | C49 | C51 | H80 | 60.0° | 180.0° |
| N12 | C49 | C51 | H81 | 60.0° | 59.9° |
| N12 | C49 | C50 | N13 | 12.9° | 180.0° |
| H77 | N12 | C49 | C50 | 94.7° | 25.0° |
| H77 | N12 | C49 | C51 | 28.9° | 95.0° |
| H77 | N12 | C49 | H78 | 147.2° | 145.0° |
| C50 | C49 | C51 | H78 | 119.4° | 120.0° |
| C49 | C50 | O14 | N13 | 180.0° | 179.9° |
| C50 | C49 | C51 | H79 | 58.3° | 60.0° |
| C50 | C49 | C51 | H80 | 178.3° | 59.9° |
| C50 | C49 | C51 | H81 | 61.8° | 180.0° |
| C49 | C50 | N13 | C52 | 180.0° | 180.0° |
| C49 | C50 | N13 | H82 | 0.0° | 0.0° |
| C50 | C49 | N12 | C46 | 85.4° | 155.0° |
| C51 | C49 | C50 | O14 | 71.0° | 120.0° |
| C49 | C51 | H79 | H80 | 120.0° | 120.0° |
| C49 | C51 | H79 | H81 | 120.0° | 120.0° |
| C49 | C51 | H80 | H81 | 120.0° | 120.0° |
| C51 | C49 | N12 | C46 | 151.1° | 85.0° |
| C51 | C49 | C50 | N13 | 109.0° | 59.9° |
| H78 | C49 | C50 | O14 | 48.4° | 120.0° |
| H78 | C49 | C51 | H79 | 61.1° | 180.0° |
| H78 | C49 | C51 | H80 | 58.9° | 60.0° |
| H78 | C49 | C51 | H81 | 178.9° | 60.0° |
| H78 | C49 | N12 | C46 | 32.8° | 35.0° |
| H78 | C49 | C50 | N13 | 131.7° | 60.1° |
| O14 | C50 | N13 | C52 | 0.0° | 0.1° |
| O14 | C50 | N13 | H82 | 180.0° | 179.9° |
| H79 | C51 | H80 | H81 | 120.0° | 120.1° |
| C52 | N13 | H82 | C50 | 180.0° | 180.0° |
| N13 | C52 | C53 | C54 | 121.8° | 120.0° |
| N13 | C52 | C53 | H83 | 118.8° | 120.0° |
| N13 | C52 | C54 | H83 | 119.0° | 120.0° |
| N13 | C52 | C53 | O15 | 165.6° | 0.0° |
| N13 | C52 | C54 | H84 | 180.0° | 60.0° |
| N13 | C52 | C54 | H85 | 60.0° | 180.0° |
| N13 | C52 | C54 | H86 | 60.0° | 60.0° |
| N13 | C52 | C53 | N14 | 14.3° | 180.0° |
| H82 | N13 | C52 | C53 | 77.9° | 25.0° |
| H82 | N13 | C52 | C54 | 45.5° | 95.0° |
| H82 | N13 | C52 | H83 | 163.9° | 145.0° |
| C53 | C52 | C54 | H83 | 119.4° | 120.0° |
| C52 | C53 | O15 | N14 | 179.9° | 180.0° |
| C53 | C52 | C54 | H84 | 58.3° | 60.0° |
| C53 | C52 | C54 | H85 | 178.4° | 60.0° |
| C53 | C52 | C54 | H86 | 61.6° | 180.0° |
| C52 | C53 | N14 | C55 | 175.9° | 180.0° |
| C52 | C53 | N14 | H87 | 4.1° | 0.0° |
| C53 | C52 | N13 | C50 | 102.0° | 155.0° |
| C54 | C52 | C53 | O15 | 72.6° | 120.0° |
| C52 | C54 | H84 | H85 | 120.0° | 120.0° |
| C52 | C54 | H84 | H86 | 120.0° | 119.9° |
| C52 | C54 | H85 | H86 | 120.0° | 120.0° |
| C54 | C52 | C53 | N14 | 107.5° | 60.0° |
| C54 | C52 | N13 | C50 | 134.5° | 85.0° |
| H83 | C52 | C53 | O15 | 46.8° | 120.0° |
| H83 | C52 | C54 | H84 | 61.0° | 180.0° |
| H83 | C52 | C54 | H85 | 59.0° | 60.0° |
| H83 | C52 | C54 | H86 | 179.0° | 60.0° |
| H83 | C52 | C53 | N14 | 133.1° | 60.0° |
| H83 | C52 | N13 | C50 | 16.1° | 35.0° |
| O15 | C53 | N14 | C55 | 4.0° | 0.0° |
| O15 | C53 | N14 | H87 | 176.0° | 180.0° |
| H84 | C54 | H85 | H86 | 120.0° | 120.0° |
| C55 | N14 | H87 | C53 | 180.0° | 180.0° |
| N14 | C55 | C56 | C57 | 115.9° | 120.0° |
| N14 | C55 | C56 | C58 | 123.6° | 120.0° |
| N14 | C55 | C57 | C58 | 120.9° | 120.0° |
| N14 | C55 | C56 | O16 | 131.4° | 132.9° |
| N14 | C55 | C57 | H88 | 180.0° | 60.0° |
| N14 | C55 | C57 | H89 | 60.0° | 180.0° |
| N14 | C55 | C57 | H90 | 60.0° | 60.0° |
| N14 | C55 | C58 | H91 | 180.0° | 60.0° |
| N14 | C55 | C58 | H92 | 60.0° | 180.0° |
| N14 | C55 | C58 | H93 | 60.0° | 60.0° |
| N14 | C55 | C56 | N15 | 47.9° | 47.1° |
| H87 | N14 | C55 | C56 | 135.6° | 2.7° |
| H87 | N14 | C55 | C57 | 20.0° | 117.3° |
| H87 | N14 | C55 | C58 | 100.9° | 122.7° |
| C56 | C55 | C57 | C58 | 120.4° | 120.0° |
| C55 | C56 | O16 | N15 | 179.2° | 180.0° |
| C56 | C55 | C57 | H88 | 61.3° | 180.0° |
| C56 | C55 | C57 | H89 | 178.7° | 60.0° |
| C56 | C55 | C57 | H90 | 58.7° | 60.0° |
| C56 | C55 | C58 | H91 | 56.3° | 60.0° |
| C56 | C55 | C58 | H92 | 63.7° | 60.0° |
| C56 | C55 | C58 | H93 | 176.3° | 180.0° |
| C55 | C56 | N15 | C59 | 179.3° | 176.5° |
| C55 | C56 | N15 | C63 | 0.8° | 3.1° |
| C56 | C55 | N14 | C53 | 44.4° | 177.3° |
| C57 | C55 | C56 | O16 | 112.7° | 12.9° |
| C55 | C57 | H88 | H89 | 120.0° | 120.0° |
| C55 | C57 | H88 | H90 | 120.0° | 119.9° |
| C55 | C57 | H89 | H90 | 120.0° | 120.0° |
| C57 | C55 | C58 | H91 | 61.5° | 179.9° |
| C57 | C55 | C58 | H92 | 178.5° | 60.0° |
| C57 | C55 | C58 | H93 | 58.5° | 60.0° |
| C57 | C55 | N14 | C53 | 160.0° | 62.7° |
| C57 | C55 | C56 | N15 | 68.0° | 167.1° |
| C58 | C55 | C56 | O16 | 7.7° | 107.1° |
| C58 | C55 | C57 | H88 | 59.1° | 60.0° |
| C58 | C55 | C57 | H89 | 61.0° | 60.0° |
| C58 | C55 | C57 | H90 | 179.1° | 180.0° |
| C55 | C58 | H91 | H92 | 120.0° | 119.9° |
| C55 | C58 | H91 | H93 | 120.0° | 120.0° |
| C55 | C58 | H92 | H93 | 120.0° | 120.0° |
| C58 | C55 | N14 | C53 | 79.1° | 57.3° |
| C58 | C55 | C56 | N15 | 171.5° | 72.9° |
| O16 | C56 | N15 | C59 | 0.1° | 3.5° |
| O16 | C56 | N15 | C63 | 180.0° | 176.9° |
| H88 | C57 | H89 | H90 | 120.0° | 120.0° |
| H91 | C58 | H92 | H93 | 120.0° | 120.1° |
| C59 | N15 | C63 | C56 | 179.9° | 179.7° |
| N15 | C59 | C60 | C61 | 117.7° | 117.8° |
| N15 | C59 | C60 | H94 | 121.1° | 121.1° |
| N15 | C59 | C61 | H94 | 117.7° | 119.6° |
| N15 | C59 | C60 | O17 | 122.2° | 0.0° |
| N15 | C59 | C61 | C62 | 18.7° | 22.2° |
| N15 | C59 | C61 | H95 | 138.1° | 140.5° |
| N15 | C59 | C61 | H96 | 100.8° | 96.2° |
| C59 | N15 | C63 | C62 | 8.6° | 24.5° |
| C59 | N15 | C63 | H99 | 127.9° | 94.5° |
| C59 | N15 | C63 | H100 | 110.6° | 143.2° |
| N15 | C59 | C60 | N16 | 57.8° | 180.0° |
| C63 | N15 | C59 | C60 | 105.0° | 120.7° |
| C63 | N15 | C59 | C61 | 17.4° | 1.4° |
| C63 | N15 | C59 | H94 | 134.5° | 118.3° |
| N15 | C63 | C62 | C61 | 3.8° | 37.3° |
| N15 | C63 | C62 | H99 | 119.2° | 118.8° |
| N15 | C63 | C62 | H100 | 119.2° | 118.7° |
| N15 | C63 | C62 | H97 | 115.9° | 80.8° |
| N15 | C63 | C62 | H98 | 123.6° | 155.3° |
| N15 | C63 | H99 | H100 | 122.2° | 122.3° |
| C60 | C59 | C61 | H94 | 121.2° | 121.0° |
| C59 | C60 | O17 | N16 | 180.0° | 179.9° |
| C60 | C59 | C61 | C62 | 102.5° | 97.2° |
| C60 | C59 | C61 | H95 | 17.0° | 21.1° |
| C60 | C59 | C61 | H96 | 138.1° | 144.4° |
| C59 | C60 | N16 | C64 | 175.9° | 180.0° |
| C59 | C60 | N16 | H101 | 4.1° | 0.1° |
| C60 | C59 | N15 | C56 | 75.0° | 59.6° |
| C61 | C59 | C60 | O17 | 120.1° | 117.8° |
| C59 | C61 | C62 | H95 | 119.4° | 118.4° |
| C59 | C61 | C62 | H96 | 119.5° | 118.3° |
| C59 | C61 | H95 | H96 | 121.7° | 123.2° |
| C59 | C61 | C62 | C63 | 14.0° | 35.7° |
| C59 | C61 | C62 | H97 | 105.7° | 82.6° |
| C59 | C61 | C62 | H98 | 133.8° | 153.5° |
| C61 | C59 | N15 | C56 | 162.5° | 179.0° |
| C61 | C59 | C60 | N16 | 59.9° | 62.2° |
| H94 | C59 | C60 | O17 | 1.1° | 121.0° |
| H94 | C59 | C61 | C62 | 136.3° | 141.7° |
| H94 | C59 | C61 | H95 | 104.2° | 99.9° |
| H94 | C59 | C61 | H96 | 16.9° | 23.4° |
| H94 | C59 | N15 | C56 | 45.5° | 61.4° |
| H94 | C59 | C60 | N16 | 178.9° | 58.9° |
| O17 | C60 | N16 | C64 | 4.1° | 0.1° |
| O17 | C60 | N16 | H101 | 175.9° | 180.0° |
| C62 | C61 | H95 | H96 | 121.6° | 123.2° |
| C61 | C62 | C63 | H97 | 119.8° | 118.1° |
| C61 | C62 | C63 | H98 | 119.8° | 118.0° |
| C61 | C62 | H97 | H98 | 120.7° | 123.9° |
| C61 | C62 | C63 | H99 | 115.4° | 81.5° |
| C61 | C62 | C63 | H100 | 123.1° | 156.0° |
| H95 | C61 | C62 | C63 | 133.5° | 154.0° |
| H95 | C61 | C62 | H97 | 13.7° | 35.8° |
| H95 | C61 | C62 | H98 | 106.8° | 88.1° |
| H96 | C61 | C62 | C63 | 105.4° | 82.7° |
| H96 | C61 | C62 | H97 | 134.8° | 159.1° |
| H96 | C61 | C62 | H98 | 14.3° | 35.2° |
| C63 | C62 | H97 | H98 | 120.7° | 123.9° |
| C62 | C63 | H99 | H100 | 122.2° | 122.4° |
| C62 | C63 | N15 | C56 | 171.3° | 155.8° |
| H97 | C62 | C63 | H99 | 124.9° | 160.4° |
| H97 | C62 | C63 | H100 | 3.3° | 37.9° |
| H98 | C62 | C63 | H99 | 4.4° | 36.4° |
| H98 | C62 | C63 | H100 | 117.2° | 86.0° |
| H99 | C63 | N15 | C56 | 52.1° | 85.2° |
| H100 | C63 | N15 | C56 | 69.4° | 37.1° |
| C64 | N16 | H101 | C60 | 180.0° | 179.9° |
| N16 | C64 | C65 | C66 | 115.9° | 120.1° |
| N16 | C64 | C65 | C67 | 123.6° | 120.0° |
| N16 | C64 | C66 | C67 | 120.9° | 120.0° |
| N16 | C64 | C65 | O18 | 135.8° | 145.0° |
| N16 | C64 | C66 | H102 | 180.0° | 60.0° |
| N16 | C64 | C66 | H103 | 60.0° | 180.0° |
| N16 | C64 | C66 | H104 | 60.0° | 60.0° |
| N16 | C64 | C67 | H105 | 180.0° | 60.0° |
| N16 | C64 | C67 | H106 | 60.0° | 180.0° |
| N16 | C64 | C67 | H107 | 60.0° | 60.1° |
| N16 | C64 | C65 | N17 | 43.5° | 34.9° |
| H101 | N16 | C64 | C65 | 146.8° | 0.1° |
| H101 | N16 | C64 | C66 | 31.2° | 119.9° |
| H101 | N16 | C64 | C67 | 89.7° | 120.0° |
| C65 | C64 | C66 | C67 | 120.4° | 119.9° |
| C64 | C65 | O18 | N17 | 179.2° | 180.0° |
| C65 | C64 | C66 | H102 | 61.4° | 180.0° |
| C65 | C64 | C66 | H103 | 178.6° | 60.0° |
| C65 | C64 | C66 | H104 | 58.7° | 60.1° |
| C65 | C64 | C67 | H105 | 56.4° | 60.0° |
| C65 | C64 | C67 | H106 | 63.7° | 60.0° |
| C65 | C64 | C67 | H107 | 176.3° | 180.0° |
| C64 | C65 | N17 | C68 | 175.1° | 180.0° |
| C64 | C65 | N17 | H108 | 4.9° | 0.0° |
| C65 | C64 | N16 | C60 | 33.2° | 180.0° |
| C66 | C64 | C65 | O18 | 108.3° | 25.0° |
| C64 | C66 | H102 | H103 | 120.0° | 120.0° |
| C64 | C66 | H102 | H104 | 120.0° | 120.0° |
| C64 | C66 | H103 | H104 | 119.9° | 120.0° |
| C66 | C64 | C67 | H105 | 61.4° | 180.0° |
| C66 | C64 | C67 | H106 | 178.6° | 60.0° |
| C66 | C64 | C67 | H107 | 58.5° | 60.0° |
| C66 | C64 | N16 | C60 | 148.8° | 59.9° |
| C66 | C64 | C65 | N17 | 72.5° | 155.0° |
| C67 | C64 | C65 | O18 | 12.2° | 95.0° |
| C67 | C64 | C66 | H102 | 59.0° | 60.0° |
| C67 | C64 | C66 | H103 | 61.0° | 59.9° |
| C67 | C64 | C66 | H104 | 179.1° | 180.0° |
| C64 | C67 | H105 | H106 | 120.0° | 120.0° |
| C64 | C67 | H105 | H107 | 120.0° | 120.0° |
| C64 | C67 | H106 | H107 | 120.0° | 120.0° |
| C67 | C64 | N16 | C60 | 90.3° | 60.1° |
| C67 | C64 | C65 | N17 | 167.1° | 85.0° |
| O18 | C65 | N17 | C68 | 4.1° | 0.0° |
| O18 | C65 | N17 | H108 | 175.9° | 180.0° |
| H102 | C66 | H103 | H104 | 120.0° | 120.0° |
| H105 | C67 | H106 | H107 | 120.0° | 120.0° |
| C68 | N17 | H108 | C65 | 180.0° | 180.0° |
| N17 | C68 | C69 | C70 | 116.0° | 120.1° |
| N17 | C68 | C69 | C71 | 123.6° | 119.9° |
| N17 | C68 | C70 | C71 | 120.9° | 120.0° |
| N17 | C68 | C69 | O19 | 129.0° | 145.0° |
| N17 | C68 | C70 | H109 | 180.0° | 59.9° |
| N17 | C68 | C70 | H110 | 60.0° | 180.0° |
| N17 | C68 | C70 | H111 | 60.0° | 60.0° |
| N17 | C68 | C71 | H112 | 180.0° | 60.0° |
| N17 | C68 | C71 | H113 | 60.0° | 180.0° |
| N17 | C68 | C71 | H114 | 60.0° | 60.0° |
| N17 | C68 | C69 | N18 | 50.2° | 34.9° |
| H108 | N17 | C68 | C69 | 104.9° | 0.1° |
| H108 | N17 | C68 | C70 | 10.8° | 120.0° |
| H108 | N17 | C68 | C71 | 131.6° | 120.0° |
| C69 | C68 | C70 | C71 | 120.4° | 120.0° |
| C68 | C69 | O19 | N18 | 179.2° | 179.9° |
| C69 | C68 | C70 | H109 | 61.3° | 180.0° |
| C69 | C68 | C70 | H110 | 178.7° | 59.9° |
| C69 | C68 | C70 | H111 | 58.7° | 60.1° |
| C69 | C68 | C71 | H112 | 56.3° | 59.9° |
| C69 | C68 | C71 | H113 | 63.7° | 60.0° |
| C69 | C68 | C71 | H114 | 176.3° | 180.0° |
| C68 | C69 | N18 | C72 | 175.1° | 180.0° |
| C68 | C69 | N18 | H115 | 4.9° | 0.1° |
| C69 | C68 | N17 | C65 | 75.1° | 180.0° |
| C70 | C68 | C69 | O19 | 115.0° | 24.9° |
| C68 | C70 | H109 | H110 | 120.0° | 120.1° |
| C68 | C70 | H109 | H111 | 120.0° | 119.9° |
| C68 | C70 | H110 | H111 | 120.0° | 120.0° |
| C70 | C68 | C71 | H112 | 61.5° | 180.0° |
| C70 | C68 | C71 | H113 | 178.5° | 60.0° |
| C70 | C68 | C71 | H114 | 58.5° | 60.0° |
| C70 | C68 | N17 | C65 | 169.2° | 60.0° |
| C70 | C68 | C69 | N18 | 65.7° | 155.0° |
| C71 | C68 | C69 | O19 | 5.4° | 95.1° |
| C71 | C68 | C70 | H109 | 59.1° | 60.1° |
| C71 | C68 | C70 | H110 | 60.9° | 60.1° |
| C71 | C68 | C70 | H111 | 179.1° | 179.9° |
| C68 | C71 | H112 | H113 | 120.0° | 120.0° |
| C68 | C71 | H112 | H114 | 120.0° | 120.1° |
| C68 | C71 | H113 | H114 | 120.0° | 120.0° |
| C71 | C68 | N17 | C65 | 48.4° | 60.0° |
| C71 | C68 | C69 | N18 | 173.8° | 85.0° |
| O19 | C69 | N18 | C72 | 4.1° | 0.1° |
| O19 | C69 | N18 | H115 | 175.9° | 180.0° |
| H109 | C70 | H110 | H111 | 120.0° | 119.9° |
| H112 | C71 | H113 | H114 | 120.0° | 119.9° |
| C72 | N18 | H115 | C69 | 180.0° | 179.9° |
| N18 | C72 | C73 | C74 | 116.0° | 119.9° |
| N18 | C72 | C73 | C75 | 123.6° | 120.0° |
| N18 | C72 | C74 | C75 | 120.9° | 120.0° |
| N18 | C72 | C73 | O20 | 158.3° | 145.0° |
| N18 | C72 | C74 | H116 | 180.0° | 60.0° |
| N18 | C72 | C74 | H117 | 60.0° | 180.0° |
| N18 | C72 | C74 | H118 | 60.0° | 59.9° |
| N18 | C72 | C75 | H119 | 180.0° | 60.0° |
| N18 | C72 | C75 | H120 | 60.0° | 180.0° |
| N18 | C72 | C75 | H121 | 60.0° | 60.0° |
| N18 | C72 | C73 | N19 | 21.1° | 35.1° |
| H115 | N18 | C72 | C73 | 133.3° | 0.1° |
| H115 | N18 | C72 | C74 | 17.6° | 120.0° |
| H115 | N18 | C72 | C75 | 103.2° | 119.9° |
| C73 | C72 | C74 | C75 | 120.3° | 120.1° |
| C72 | C73 | O20 | N19 | 179.3° | 179.9° |
| C73 | C72 | C74 | H116 | 61.3° | 179.9° |
| C73 | C72 | C74 | H117 | 178.8° | 60.0° |
| C73 | C72 | C74 | H118 | 58.8° | 60.0° |
| C73 | C72 | C75 | H119 | 56.4° | 59.9° |
| C73 | C72 | C75 | H120 | 63.7° | 60.0° |
| C73 | C72 | C75 | H121 | 176.4° | 180.0° |
| C72 | C73 | N19 | C76 | 179.3° | 179.9° |
| C72 | C73 | N19 | H122 | 0.8° | 0.0° |
| C73 | C72 | N18 | C69 | 46.7° | 180.0° |
| C74 | C72 | C73 | O20 | 85.7° | 25.1° |
| C72 | C74 | H116 | H117 | 120.0° | 120.0° |
| C72 | C74 | H116 | H118 | 120.0° | 120.0° |
| C72 | C74 | H117 | H118 | 120.0° | 120.0° |
| C74 | C72 | C75 | H119 | 61.4° | 180.0° |
| C74 | C72 | C75 | H120 | 178.5° | 60.0° |
| C74 | C72 | C75 | H121 | 58.6° | 59.9° |
| C74 | C72 | N18 | C69 | 162.4° | 60.1° |
| C74 | C72 | C73 | N19 | 94.9° | 155.0° |
| C75 | C72 | C73 | O20 | 34.7° | 95.0° |
| C75 | C72 | C74 | H116 | 59.1° | 60.0° |
| C75 | C72 | C74 | H117 | 60.9° | 60.0° |
| C75 | C72 | C74 | H118 | 179.1° | 179.9° |
| C72 | C75 | H119 | H120 | 120.0° | 119.9° |
| C72 | C75 | H119 | H121 | 120.0° | 120.1° |
| C72 | C75 | H120 | H121 | 120.0° | 120.0° |
| C75 | C72 | N18 | C69 | 76.8° | 59.9° |
| C75 | C72 | C73 | N19 | 144.7° | 84.9° |
| O20 | C73 | N19 | C76 | 0.0° | 0.0° |
| O20 | C73 | N19 | H122 | 179.9° | 179.9° |
| H116 | C74 | H117 | H118 | 120.0° | 119.9° |
| H119 | C75 | H120 | H121 | 119.9° | 120.0° |
| C76 | N19 | H122 | C73 | 180.0° | 179.9° |
| N19 | C76 | C77 | C78 | 123.5° | 120.0° |
| N19 | C76 | C77 | H123 | 118.7° | 120.0° |
| N19 | C76 | C78 | H123 | 119.0° | 120.0° |
| N19 | C76 | C77 | O21 | 131.7° | 0.0° |
| N19 | C76 | C78 | C79 | 61.0° | 65.0° |
| N19 | C76 | C78 | H124 | 59.3° | 55.0° |
| N19 | C76 | C78 | H125 | 178.8° | 175.0° |
| N19 | C76 | C77 | N21 | 48.4° | 180.0° |
| H122 | N19 | C76 | C77 | 104.7° | 25.1° |
| H122 | N19 | C76 | C78 | 18.8° | 94.9° |
| H122 | N19 | C76 | H123 | 137.3° | 145.1° |
| C77 | C76 | C78 | H123 | 117.9° | 120.0° |
| C76 | C77 | O21 | N21 | 179.9° | 180.0° |
| C77 | C76 | C78 | C79 | 176.0° | 175.0° |
| C77 | C76 | C78 | H124 | 63.8° | 65.0° |
| C77 | C76 | C78 | H125 | 55.7° | 55.0° |
| C76 | C77 | N21 | C81 | 176.7° | 180.0° |
| C76 | C77 | N21 | H130 | 3.3° | 0.0° |
| C77 | C76 | N19 | C73 | 75.3° | 155.0° |
| C78 | C76 | C77 | O21 | 104.9° | 120.0° |
| C76 | C78 | C79 | H124 | 120.2° | 120.0° |
| C76 | C78 | C79 | H125 | 120.3° | 120.0° |
| C76 | C78 | H124 | H125 | 119.3° | 120.0° |
| C76 | C78 | C79 | C80 | 69.9° | 180.0° |
| C76 | C78 | C79 | H126 | 50.3° | 60.0° |
| C76 | C78 | C79 | H127 | 169.9° | 60.0° |
| C78 | C76 | N19 | C73 | 161.2° | 85.0° |
| C78 | C76 | C77 | N21 | 75.1° | 60.0° |
| H123 | C76 | C77 | O21 | 13.0° | 120.0° |
| H123 | C76 | C78 | C79 | 58.1° | 55.0° |
| H123 | C76 | C78 | H124 | 178.3° | 175.0° |
| H123 | C76 | C78 | H125 | 62.2° | 65.0° |
| H123 | C76 | N19 | C73 | 42.7° | 35.0° |
| H123 | C76 | C77 | N21 | 167.1° | 60.0° |
| O21 | C77 | N21 | C81 | 3.3° | 0.0° |
| O21 | C77 | N21 | H130 | 176.7° | 180.0° |
| C79 | C78 | H124 | H125 | 119.3° | 120.0° |
| C78 | C79 | C80 | H126 | 120.2° | 120.0° |
| C78 | C79 | C80 | H127 | 120.3° | 120.0° |
| C78 | C79 | H126 | H127 | 119.3° | 120.0° |
| C78 | C79 | C80 | O22 | 74.0° | 0.0° |
| C78 | C79 | C80 | N20 | 106.0° | 180.0° |
| H124 | C78 | C79 | C80 | 169.9° | 60.0° |
| H124 | C78 | C79 | H126 | 69.9° | 180.0° |
| H124 | C78 | C79 | H127 | 49.6° | 60.0° |
| H125 | C78 | C79 | C80 | 50.4° | 60.0° |
| H125 | C78 | C79 | H126 | 170.6° | 60.0° |
| H125 | C78 | C79 | H127 | 69.9° | 180.0° |
| C80 | C79 | H126 | H127 | 119.3° | 120.0° |
| C79 | C80 | O22 | N20 | 180.0° | 180.0° |
| C79 | C80 | N20 | H128 | 180.0° | 0.0° |
| C79 | C80 | N20 | H129 | 0.0° | 179.9° |
| H126 | C79 | C80 | O22 | 165.7° | 120.0° |
| H126 | C79 | C80 | N20 | 14.3° | 60.0° |
| H127 | C79 | C80 | O22 | 46.2° | 120.0° |
| H127 | C79 | C80 | N20 | 133.8° | 60.0° |
| O22 | C80 | N20 | H128 | 0.0° | 180.0° |
| O22 | C80 | N20 | H129 | 180.0° | 0.1° |
| C80 | N20 | H128 | H129 | 180.0° | 179.9° |
| C81 | N21 | H130 | C77 | 180.0° | 180.0° |
| N21 | C81 | C82 | C91 | 122.4° | 120.0° |
| N21 | C81 | C82 | H131 | 119.2° | 120.0° |
| N21 | C81 | C91 | H131 | 121.0° | 120.0° |
| N21 | C81 | C82 | C83 | 31.7° | 65.0° |
| N21 | C81 | C82 | H132 | 88.3° | 55.0° |
| N21 | C81 | C82 | H133 | 151.8° | 175.0° |
| N21 | C81 | C91 | O23 | 84.3° | 65.0° |
| N21 | C81 | C91 | H140 | 155.8° | 55.0° |
| N21 | C81 | C91 | H141 | 35.6° | 175.0° |
| H130 | N21 | C81 | C82 | 25.1° | 25.0° |
| H130 | N21 | C81 | C91 | 96.1° | 95.0° |
| H130 | N21 | C81 | H131 | 143.6° | 145.0° |
| C82 | C81 | C91 | H131 | 118.4° | 120.0° |
| C81 | C82 | C83 | H132 | 120.0° | 120.0° |
| C81 | C82 | C83 | H133 | 120.1° | 119.9° |
| C81 | C82 | H132 | H133 | 119.9° | 120.0° |
| C81 | C82 | C83 | C84 | 141.5° | 95.0° |
| C81 | C82 | C83 | C85 | 37.9° | 84.7° |
| C82 | C81 | C91 | O23 | 155.0° | 55.0° |
| C82 | C81 | C91 | H140 | 35.1° | 175.0° |
| C82 | C81 | C91 | H141 | 85.1° | 65.0° |
| C82 | C81 | N21 | C77 | 154.9° | 155.0° |
| C91 | C81 | C82 | C83 | 154.1° | 175.0° |
| C91 | C81 | C82 | H132 | 34.1° | 65.0° |
| C91 | C81 | C82 | H133 | 85.8° | 55.0° |
| C81 | C91 | O23 | H140 | 119.9° | 120.0° |
| C81 | C91 | O23 | H141 | 119.9° | 120.0° |
| C81 | C91 | H140 | H141 | 120.2° | 120.0° |
| C81 | C91 | O23 | H142 | 28.3° | 179.9° |
| C91 | C81 | N21 | C77 | 83.9° | 85.0° |
| H131 | C81 | C82 | C83 | 87.5° | 54.9° |
| H131 | C81 | C82 | H132 | 152.5° | 175.0° |
| H131 | C81 | C82 | H133 | 32.5° | 65.0° |
| H131 | C81 | C91 | O23 | 36.6° | 175.0° |
| H131 | C81 | C91 | H140 | 83.3° | 65.0° |
| H131 | C81 | C91 | H141 | 156.6° | 55.0° |
| H131 | C81 | N21 | C77 | 36.4° | 35.0° |
| C83 | C82 | H132 | H133 | 119.9° | 120.0° |
| C82 | C83 | C84 | C85 | 179.5° | 179.7° |
| C82 | C83 | C84 | N22 | 179.3° | 180.0° |
| C82 | C83 | C84 | H134 | 0.7° | 0.0° |
| C82 | C83 | C85 | C86 | 0.6° | 0.0° |
| C82 | C83 | C85 | C87 | 179.2° | 180.0° |
| H132 | C82 | C83 | C84 | 21.4° | 145.0° |
| H132 | C82 | C83 | C85 | 158.0° | 35.3° |
| H133 | C82 | C83 | C84 | 98.5° | 25.0° |
| H133 | C82 | C83 | C85 | 82.1° | 155.3° |
| C83 | C84 | N22 | H134 | 180.0° | 180.0° |
| C84 | C83 | C85 | C86 | 179.8° | 179.8° |
| C84 | C83 | C85 | C87 | 0.3° | 0.3° |
| C83 | C84 | N22 | C87 | 0.0° | 0.2° |
| C83 | C84 | N22 | H136 | 180.0° | 180.0° |
| C85 | C83 | C84 | N22 | 0.2° | 0.3° |
| C85 | C83 | C84 | H134 | 179.8° | 179.7° |
| C83 | C85 | C86 | C87 | 179.8° | 179.9° |
| C83 | C85 | C86 | C88 | 179.4° | 179.9° |
| C83 | C85 | C86 | H135 | 0.6° | 0.0° |
| C83 | C85 | C87 | N22 | 0.3° | 0.2° |
| C83 | C85 | C87 | C89 | 179.6° | 179.9° |
| C84 | N22 | C87 | C85 | 0.2° | 0.0° |
| C84 | N22 | C87 | H136 | 180.0° | 179.9° |
| C84 | N22 | C87 | C89 | 179.7° | 179.9° |
| H134 | C84 | N22 | C87 | 180.0° | 179.8° |
| H134 | C84 | N22 | H136 | 0.0° | 0.0° |
| C85 | C86 | C88 | H135 | 180.0° | 180.0° |
| C86 | C85 | C87 | N22 | 179.8° | 179.9° |
| C86 | C85 | C87 | C89 | 0.3° | 0.0° |
| C85 | C86 | C88 | C90 | 0.5° | 0.0° |
| C85 | C86 | C88 | H137 | 179.5° | 180.0° |
| C87 | C85 | C86 | C88 | 0.4° | 0.0° |
| C87 | C85 | C86 | H135 | 179.6° | 180.0° |
| C85 | C87 | N22 | C89 | 179.9° | 179.9° |
| C85 | C87 | N22 | H136 | 179.7° | 179.8° |
| C85 | C87 | C89 | C90 | 0.1° | 0.1° |
| C85 | C87 | C89 | H138 | 179.8° | 180.0° |
| C86 | C88 | C90 | H137 | 180.0° | 180.0° |
| C86 | C88 | C90 | C89 | 0.4° | 0.1° |
| C86 | C88 | C90 | H139 | 179.6° | 180.0° |
| H135 | C86 | C88 | C90 | 179.5° | 180.0° |
| H135 | C86 | C88 | H137 | 0.5° | 0.0° |
| N22 | C87 | C89 | C90 | 180.0° | 179.8° |
| N22 | C87 | C89 | H138 | 0.1° | 0.1° |
| C89 | C87 | N22 | H136 | 0.3° | 0.0° |
| C87 | C89 | C90 | C88 | 0.2° | 0.1° |
| C87 | C89 | C90 | H138 | 180.0° | 179.9° |
| C87 | C89 | C90 | H139 | 179.8° | 179.9° |
| C88 | C90 | C89 | H139 | 180.0° | 180.0° |
| C88 | C90 | C89 | H138 | 179.8° | 180.0° |
| H137 | C88 | C90 | C89 | 179.6° | 180.0° |
| H137 | C88 | C90 | H139 | 0.4° | 0.0° |
| H138 | C89 | C90 | H139 | 0.2° | 0.1° |
| O23 | C91 | H140 | H141 | 120.3° | 120.0° |
| H140 | C91 | O23 | H142 | 148.3° | 60.1° |
| H141 | C91 | O23 | H142 | 91.6° | 59.9° |
