PRD_001068
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | O2 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O2 | H4 | sing | 0.97Å | 0.95Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | C5 | sing | 1.48Å | 1.45Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | C7 | sing | 1.53Å | 1.53Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | doub | 1.21Å | 1.23Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | doub | 1.34Å | 1.34Å | Aromatic |
| C8 | C10 | sing | 1.46Å | 1.44Å | Aromatic |
| C9 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | doub | 1.41Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| N3 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C11 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C14 | doub | 1.37Å | 1.40Å | Aromatic |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| N4 | C16 | sing | 1.48Å | 1.45Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | O4 | doub | 1.21Å | 1.23Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| N5 | C22 | sing | 1.47Å | 1.45Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | O5 | doub | 1.21Å | 1.23Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | N6 | sing | 1.47Å | 1.48Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| N6 | H39 | sing | 1.01Å | 1.00Å | |
| N6 | H40 | sing | 1.01Å | 1.00Å | |
| N6 | H41 | sing | 1.01Å | 1.00Å | |
| N7 | C28 | sing | 1.48Å | 1.45Å | |
| N7 | H42 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | O6 | doub | 1.21Å | 1.23Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H48 | sing | 1.09Å | 1.10Å | |
| C32 | H49 | sing | 1.09Å | 1.10Å | |
| C33 | N8 | sing | 1.47Å | 1.48Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| C33 | H51 | sing | 1.09Å | 1.10Å | |
| N8 | H52 | sing | 1.01Å | 1.00Å | |
| N8 | H53 | sing | 1.01Å | 1.00Å | |
| N8 | H54 | sing | 1.01Å | 1.00Å | |
| N9 | C34 | sing | 1.48Å | 1.45Å | |
| N9 | H55 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.51Å | 1.53Å | |
| C34 | C36 | sing | 1.53Å | 1.53Å | |
| C34 | H56 | sing | 1.09Å | 1.10Å | |
| C35 | O7 | doub | 1.21Å | 1.23Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å | |
| C36 | H58 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | H59 | sing | 1.09Å | 1.10Å | |
| C37 | H60 | sing | 1.09Å | 1.10Å | |
| C38 | N10 | sing | 1.47Å | 1.48Å | |
| C38 | H61 | sing | 1.09Å | 1.10Å | |
| C38 | H62 | sing | 1.09Å | 1.10Å | |
| N10 | C39 | sing | 1.37Å | 1.34Å | |
| N10 | H63 | sing | 0.97Å | 1.00Å | |
| C39 | N11 | sing | 1.33Å | 1.34Å | |
| C39 | N12 | doub | 1.33Å | 1.34Å | |
| N11 | H64 | sing | 0.97Å | 1.00Å | |
| N11 | H65 | sing | 0.97Å | 1.00Å | |
| N12 | H66 | sing | 0.97Å | 1.00Å | |
| N12 | H67 | sing | 0.97Å | 1.00Å | |
| N13 | C40 | sing | 1.48Å | 1.45Å | |
| N13 | H68 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.51Å | 1.53Å | |
| C40 | C42 | sing | 1.53Å | 1.53Å | |
| C40 | H69 | sing | 1.09Å | 1.10Å | |
| C41 | O8 | doub | 1.21Å | 1.23Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | H70 | sing | 1.09Å | 1.10Å | |
| C42 | H71 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C43 | H72 | sing | 1.09Å | 1.10Å | |
| C43 | H73 | sing | 1.09Å | 1.10Å | |
| C44 | N14 | sing | 1.47Å | 1.48Å | |
| C44 | H74 | sing | 1.09Å | 1.10Å | |
| C44 | H75 | sing | 1.09Å | 1.10Å | |
| N14 | C45 | sing | 1.37Å | 1.34Å | |
| N14 | H76 | sing | 0.97Å | 1.00Å | |
| C45 | N15 | sing | 1.33Å | 1.34Å | |
| C45 | N16 | doub | 1.33Å | 1.34Å | |
| N15 | H77 | sing | 0.97Å | 1.00Å | |
| N15 | H78 | sing | 0.97Å | 1.00Å | |
| N16 | H79 | sing | 0.97Å | 1.00Å | |
| N16 | H80 | sing | 0.97Å | 1.00Å | |
| N17 | C46 | sing | 1.47Å | 1.45Å | |
| N17 | H81 | sing | 0.97Å | 1.00Å | |
| C46 | C47 | sing | 1.51Å | 1.53Å | |
| C46 | C48 | sing | 1.53Å | 1.53Å | |
| C46 | H82 | sing | 1.09Å | 1.10Å | |
| C47 | O9 | doub | 1.21Å | 1.23Å | |
| C48 | C49 | sing | 1.51Å | 1.53Å | |
| C48 | H83 | sing | 1.09Å | 1.10Å | |
| C48 | H84 | sing | 1.09Å | 1.10Å | |
| C49 | C50 | doub | 1.34Å | 1.34Å | Aromatic |
| C49 | C51 | sing | 1.46Å | 1.44Å | Aromatic |
| C50 | N18 | sing | 1.37Å | 1.38Å | Aromatic |
| C50 | H85 | sing | 1.08Å | 1.08Å | |
| C51 | C52 | doub | 1.41Å | 1.38Å | Aromatic |
| C51 | C53 | sing | 1.40Å | 1.41Å | Aromatic |
| N18 | C52 | sing | 1.38Å | 1.39Å | Aromatic |
| N18 | H86 | sing | 0.97Å | 1.00Å | |
| C52 | C54 | sing | 1.39Å | 1.40Å | Aromatic |
| C53 | C55 | doub | 1.37Å | 1.40Å | Aromatic |
| C53 | H87 | sing | 1.08Å | 1.08Å | |
| C54 | C56 | doub | 1.38Å | 1.40Å | Aromatic |
| C54 | H88 | sing | 1.08Å | 1.08Å | |
| C55 | C56 | sing | 1.39Å | 1.39Å | Aromatic |
| C55 | H89 | sing | 1.08Å | 1.08Å | |
| C56 | H90 | sing | 1.08Å | 1.08Å | |
| N19 | C57 | sing | 1.48Å | 1.45Å | |
| N19 | H91 | sing | 0.97Å | 1.00Å | |
| C57 | C58 | sing | 1.51Å | 1.53Å | |
| C57 | C59 | sing | 1.53Å | 1.53Å | |
| C57 | H92 | sing | 1.09Å | 1.10Å | |
| C58 | O10 | doub | 1.21Å | 1.23Å | |
| C59 | C60 | sing | 1.53Å | 1.53Å | |
| C59 | H93 | sing | 1.09Å | 1.10Å | |
| C59 | H94 | sing | 1.09Å | 1.10Å | |
| C60 | C61 | sing | 1.53Å | 1.53Å | |
| C60 | H95 | sing | 1.09Å | 1.10Å | |
| C60 | H96 | sing | 1.09Å | 1.10Å | |
| C61 | C62 | sing | 1.53Å | 1.53Å | |
| C61 | H97 | sing | 1.09Å | 1.10Å | |
| C61 | H98 | sing | 1.09Å | 1.10Å | |
| C62 | N20 | sing | 1.47Å | 1.48Å | |
| C62 | H99 | sing | 1.09Å | 1.10Å | |
| C62 | H100 | sing | 1.09Å | 1.10Å | |
| N20 | H101 | sing | 1.01Å | 1.00Å | |
| N20 | H102 | sing | 1.01Å | 1.00Å | |
| N20 | H103 | sing | 1.01Å | 1.00Å | |
| N21 | C63 | sing | 1.48Å | 1.45Å | |
| N21 | H104 | sing | 0.97Å | 1.00Å | |
| C63 | C64 | sing | 1.51Å | 1.53Å | |
| C63 | C65 | sing | 1.53Å | 1.53Å | |
| C63 | H105 | sing | 1.09Å | 1.10Å | |
| C64 | O11 | doub | 1.21Å | 1.23Å | |
| C65 | C66 | sing | 1.53Å | 1.53Å | |
| C65 | H106 | sing | 1.09Å | 1.10Å | |
| C65 | H107 | sing | 1.09Å | 1.10Å | |
| C66 | C67 | sing | 1.53Å | 1.53Å | |
| C66 | H108 | sing | 1.09Å | 1.10Å | |
| C66 | H109 | sing | 1.09Å | 1.10Å | |
| C67 | C68 | sing | 1.53Å | 1.53Å | |
| C67 | H110 | sing | 1.09Å | 1.10Å | |
| C67 | H111 | sing | 1.09Å | 1.10Å | |
| C68 | N22 | sing | 1.47Å | 1.48Å | |
| C68 | H112 | sing | 1.09Å | 1.10Å | |
| C68 | H113 | sing | 1.09Å | 1.10Å | |
| N22 | H114 | sing | 1.01Å | 1.00Å | |
| N22 | H115 | sing | 1.01Å | 1.00Å | |
| N22 | H116 | sing | 1.01Å | 1.00Å | |
| N23 | C69 | sing | 1.48Å | 1.45Å | |
| N23 | H117 | sing | 0.97Å | 1.00Å | |
| C69 | C70 | sing | 1.51Å | 1.53Å | |
| C69 | C71 | sing | 1.53Å | 1.53Å | |
| C69 | H118 | sing | 1.09Å | 1.10Å | |
| C70 | O12 | doub | 1.21Å | 1.23Å | |
| C71 | H119 | sing | 1.09Å | 1.10Å | |
| C71 | H120 | sing | 1.09Å | 1.10Å | |
| C71 | H121 | sing | 1.09Å | 1.10Å | |
| N24 | C72 | sing | 1.48Å | 1.45Å | |
| N24 | H122 | sing | 0.97Å | 1.00Å | |
| C72 | C73 | sing | 1.51Å | 1.53Å | |
| C72 | C74 | sing | 1.53Å | 1.53Å | |
| C72 | H123 | sing | 1.09Å | 1.10Å | |
| C73 | O13 | doub | 1.22Å | 1.23Å | |
| C74 | C75 | sing | 1.53Å | 1.53Å | |
| C74 | H124 | sing | 1.09Å | 1.10Å | |
| C74 | H125 | sing | 1.09Å | 1.10Å | |
| C75 | C76 | sing | 1.53Å | 1.53Å | |
| C75 | H126 | sing | 1.09Å | 1.10Å | |
| C75 | H127 | sing | 1.09Å | 1.10Å | |
| C76 | C77 | sing | 1.53Å | 1.53Å | |
| C76 | H128 | sing | 1.09Å | 1.10Å | |
| C76 | H129 | sing | 1.09Å | 1.10Å | |
| C77 | N25 | sing | 1.47Å | 1.48Å | |
| C77 | H130 | sing | 1.09Å | 1.10Å | |
| C77 | H131 | sing | 1.09Å | 1.10Å | |
| N25 | H132 | sing | 1.01Å | 1.00Å | |
| N25 | H133 | sing | 1.01Å | 1.00Å | |
| N25 | H134 | sing | 1.01Å | 1.00Å | |
| N26 | C78 | sing | 1.47Å | 1.49Å | |
| N26 | C81 | sing | 1.47Å | 1.48Å | |
| C78 | C79 | sing | 1.54Å | 1.54Å | |
| C78 | C82 | sing | 1.51Å | 1.57Å | |
| C78 | H135 | sing | 1.09Å | 1.10Å | |
| C79 | C80 | sing | 1.54Å | 1.53Å | |
| C79 | H136 | sing | 1.09Å | 1.10Å | |
| C79 | H137 | sing | 1.09Å | 1.10Å | |
| C80 | C81 | sing | 1.54Å | 1.53Å | |
| C80 | H138 | sing | 1.09Å | 1.10Å | |
| C80 | H139 | sing | 1.09Å | 1.10Å | |
| C81 | H140 | sing | 1.09Å | 1.10Å | |
| C81 | H141 | sing | 1.08Å | 1.10Å | |
| C82 | O14 | doub | 1.21Å | 1.23Å | |
| N27 | C83 | sing | 1.47Å | 1.49Å | |
| N27 | C87 | sing | 1.47Å | 1.47Å | |
| C83 | C84 | sing | 1.50Å | 1.57Å | |
| C83 | C85 | sing | 1.54Å | 1.55Å | |
| C83 | H142 | sing | 1.09Å | 1.10Å | |
| C84 | O15 | doub | 1.21Å | 1.23Å | |
| C85 | C86 | sing | 1.54Å | 1.53Å | |
| C85 | H143 | sing | 1.09Å | 1.10Å | |
| C85 | H144 | sing | 1.09Å | 1.10Å | |
| C86 | C87 | sing | 1.54Å | 1.53Å | |
| C86 | H145 | sing | 1.09Å | 1.10Å | |
| C86 | H146 | sing | 1.09Å | 1.10Å | |
| C87 | H147 | sing | 1.09Å | 1.10Å | |
| C87 | H148 | sing | 1.09Å | 1.10Å | |
| N1 | C84 | sing | 1.36Å | 1.34Å | |
| C2 | N2 | sing | 1.36Å | 1.33Å | |
| C6 | N4 | sing | 1.36Å | 1.33Å | |
| C17 | N5 | sing | 1.36Å | 1.33Å | |
| C23 | N7 | sing | 1.36Å | 1.32Å | |
| C29 | N9 | sing | 1.36Å | 1.33Å | |
| C35 | N13 | sing | 1.36Å | 1.32Å | |
| C41 | N17 | sing | 1.36Å | 1.32Å | |
| C47 | N19 | sing | 1.36Å | 1.33Å | |
| C58 | N21 | sing | 1.36Å | 1.32Å | |
| C64 | N23 | sing | 1.36Å | 1.32Å | |
| C70 | N24 | sing | 1.36Å | 1.32Å | |
| C73 | N26 | sing | 1.34Å | 1.36Å | |
| C82 | N27 | sing | 1.34Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 118.3° | 122.0° |
| N1 | C1 | C2 | 110.4° | 109.5° |
| N1 | C1 | C3 | 108.0° | 109.8° |
| N1 | C1 | H2 | 109.0° | 109.5° |
| C1 | N1 | C84 | 123.4° | 116.4° |
| H1 | N1 | C84 | 118.3° | 121.6° |
| C2 | C1 | C3 | 113.4° | 109.2° |
| C2 | C1 | H2 | 108.0° | 109.3° |
| C1 | C2 | O1 | 120.5° | 120.7° |
| C1 | C2 | N2 | 115.0° | 118.1° |
| C3 | C1 | H2 | 107.9° | 109.6° |
| C1 | C3 | O2 | 104.1° | 109.5° |
| C1 | C3 | C4 | 112.5° | 109.4° |
| C1 | C3 | H3 | 111.3° | 109.5° |
| O1 | C2 | N2 | 124.4° | 121.2° |
| O2 | C3 | C4 | 104.1° | 109.5° |
| O2 | C3 | H3 | 113.0° | 109.5° |
| C3 | O2 | H4 | 109.5° | 114.0° |
| C4 | C3 | H3 | 111.4° | 109.5° |
| C3 | C4 | H5 | 109.5° | 109.5° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C3 | C4 | H7 | 109.4° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.4° |
| H5 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| C5 | N2 | H8 | 119.5° | 121.3° |
| N2 | C5 | C6 | 107.9° | 108.4° |
| N2 | C5 | C7 | 111.0° | 109.8° |
| N2 | C5 | H9 | 108.9° | 109.9° |
| C5 | N2 | C2 | 121.0° | 117.5° |
| H8 | N2 | C2 | 119.5° | 121.2° |
| C6 | C5 | C7 | 113.0° | 109.5° |
| C6 | C5 | H9 | 107.9° | 109.5° |
| C5 | C6 | O3 | 120.5° | 120.0° |
| C5 | C6 | N4 | 114.9° | 119.3° |
| C7 | C5 | H9 | 107.9° | 109.7° |
| C5 | C7 | C8 | 114.1° | 109.4° |
| C5 | C7 | H10 | 108.3° | 109.5° |
| C5 | C7 | H11 | 108.3° | 109.5° |
| O3 | C6 | N4 | 124.5° | 120.7° |
| C8 | C7 | H10 | 108.3° | 109.5° |
| C8 | C7 | H11 | 108.3° | 109.5° |
| C7 | C8 | C9 | 128.0° | 126.5° |
| C7 | C8 | C10 | 126.6° | 126.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| C9 | C8 | C10 | 105.4° | 107.0° |
| C8 | C9 | N3 | 111.5° | 110.0° |
| C8 | C9 | H12 | 124.2° | 125.0° |
| C8 | C10 | C11 | 108.3° | 106.1° |
| C8 | C10 | C12 | 130.3° | 134.1° |
| N3 | C9 | H12 | 124.2° | 125.1° |
| C9 | N3 | C11 | 107.4° | 109.9° |
| C9 | N3 | H13 | 126.3° | 125.1° |
| C11 | C10 | C12 | 121.4° | 119.9° |
| C10 | C11 | N3 | 107.4° | 107.2° |
| C10 | C11 | C13 | 123.2° | 119.4° |
| C10 | C12 | C14 | 114.7° | 119.8° |
| C10 | C12 | H14 | 122.6° | 120.1° |
| C11 | N3 | H13 | 126.3° | 125.1° |
| N3 | C11 | C13 | 129.4° | 133.5° |
| C11 | C13 | C15 | 116.3° | 119.8° |
| C11 | C13 | H15 | 121.8° | 120.1° |
| C14 | C12 | H14 | 122.7° | 120.1° |
| C12 | C14 | C15 | 124.6° | 120.5° |
| C12 | C14 | H16 | 117.7° | 119.8° |
| C15 | C13 | H15 | 121.8° | 120.1° |
| C13 | C15 | C14 | 119.7° | 120.7° |
| C13 | C15 | H17 | 120.1° | 119.6° |
| C15 | C14 | H16 | 117.7° | 119.7° |
| C14 | C15 | H17 | 120.1° | 119.7° |
| C16 | N4 | H18 | 119.5° | 122.1° |
| N4 | C16 | C17 | 109.3° | 109.1° |
| N4 | C16 | C18 | 110.5° | 109.5° |
| N4 | C16 | H19 | 108.4° | 109.7° |
| C16 | N4 | C6 | 121.0° | 116.6° |
| H18 | N4 | C6 | 119.5° | 121.3° |
| C17 | C16 | C18 | 113.7° | 109.4° |
| C17 | C16 | H19 | 107.4° | 109.4° |
| C16 | C17 | O4 | 120.4° | 120.3° |
| C16 | C17 | N5 | 115.0° | 119.2° |
| C18 | C16 | H19 | 107.4° | 109.6° |
| C16 | C18 | C19 | 116.0° | 109.4° |
| C16 | C18 | H20 | 107.8° | 109.5° |
| C16 | C18 | H21 | 107.8° | 109.5° |
| O4 | C17 | N5 | 124.6° | 120.5° |
| C19 | C18 | H20 | 107.8° | 109.5° |
| C19 | C18 | H21 | 107.8° | 109.4° |
| C18 | C19 | C20 | 111.0° | 109.5° |
| C18 | C19 | C21 | 111.1° | 109.5° |
| C18 | C19 | H22 | 107.5° | 109.4° |
| H20 | C18 | H21 | 109.5° | 109.5° |
| C20 | C19 | C21 | 112.0° | 109.5° |
| C20 | C19 | H22 | 107.5° | 109.5° |
| C19 | C20 | H23 | 109.5° | 109.5° |
| C19 | C20 | H24 | 109.4° | 109.5° |
| C19 | C20 | H25 | 109.5° | 109.5° |
| C21 | C19 | H22 | 107.5° | 109.5° |
| C19 | C21 | H26 | 109.5° | 109.5° |
| C19 | C21 | H27 | 109.4° | 109.5° |
| C19 | C21 | H28 | 109.5° | 109.5° |
| H23 | C20 | H24 | 109.5° | 109.4° |
| H23 | C20 | H25 | 109.5° | 109.5° |
| H24 | C20 | H25 | 109.5° | 109.5° |
| H26 | C21 | H27 | 109.5° | 109.5° |
| H26 | C21 | H28 | 109.4° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.4° |
| C22 | N5 | H29 | 119.6° | 121.0° |
| N5 | C22 | C23 | 109.3° | 108.8° |
| N5 | C22 | C24 | 110.5° | 109.5° |
| N5 | C22 | H30 | 108.4° | 110.1° |
| C22 | N5 | C17 | 121.0° | 117.4° |
| H29 | N5 | C17 | 119.5° | 121.6° |
| C23 | C22 | C24 | 113.7° | 109.3° |
| C23 | C22 | H30 | 107.4° | 109.5° |
| C22 | C23 | O5 | 120.5° | 120.2° |
| C22 | C23 | N7 | 115.1° | 118.8° |
| C24 | C22 | H30 | 107.4° | 109.6° |
| C22 | C24 | C25 | 111.0° | 109.5° |
| C22 | C24 | H31 | 109.1° | 109.5° |
| C22 | C24 | H32 | 109.1° | 109.5° |
| O5 | C23 | N7 | 124.5° | 121.0° |
| C25 | C24 | H31 | 109.1° | 109.5° |
| C25 | C24 | H32 | 109.1° | 109.5° |
| C24 | C25 | C26 | 111.0° | 109.5° |
| C24 | C25 | H33 | 109.1° | 109.5° |
| C24 | C25 | H34 | 109.1° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.5° |
| C26 | C25 | H33 | 109.1° | 109.5° |
| C26 | C25 | H34 | 109.1° | 109.5° |
| C25 | C26 | C27 | 111.1° | 109.5° |
| C25 | C26 | H35 | 109.0° | 109.5° |
| C25 | C26 | H36 | 109.1° | 109.5° |
| H33 | C25 | H34 | 109.5° | 109.5° |
| C27 | C26 | H35 | 109.1° | 109.5° |
| C27 | C26 | H36 | 109.1° | 109.5° |
| C26 | C27 | N6 | 110.5° | 109.5° |
| C26 | C27 | H37 | 109.2° | 109.5° |
| C26 | C27 | H38 | 109.2° | 109.5° |
| H35 | C26 | H36 | 109.5° | 109.5° |
| N6 | C27 | H37 | 109.2° | 109.4° |
| N6 | C27 | H38 | 109.2° | 109.5° |
| C27 | N6 | H39 | 109.5° | 109.4° |
| C27 | N6 | H40 | 109.5° | 109.5° |
| C27 | N6 | H41 | 109.5° | 109.5° |
| H37 | C27 | H38 | 109.5° | 109.5° |
| H39 | N6 | H40 | 109.5° | 109.5° |
| H39 | N6 | H41 | 109.4° | 109.5° |
| H40 | N6 | H41 | 109.5° | 109.5° |
| C28 | N7 | H42 | 119.4° | 121.7° |
| N7 | C28 | C29 | 109.3° | 108.8° |
| N7 | C28 | C30 | 110.5° | 109.6° |
| N7 | C28 | H43 | 108.3° | 109.8° |
| C28 | N7 | C23 | 121.1° | 116.8° |
| H42 | N7 | C23 | 119.5° | 121.6° |
| C29 | C28 | C30 | 113.7° | 109.5° |
| C29 | C28 | H43 | 107.4° | 109.5° |
| C28 | C29 | O6 | 120.5° | 120.1° |
| C28 | C29 | N9 | 115.0° | 119.3° |
| C30 | C28 | H43 | 107.4° | 109.7° |
| C28 | C30 | C31 | 111.0° | 109.5° |
| C28 | C30 | H44 | 109.1° | 109.5° |
| C28 | C30 | H45 | 109.1° | 109.5° |
| O6 | C29 | N9 | 124.5° | 120.6° |
| C31 | C30 | H44 | 109.1° | 109.5° |
| C31 | C30 | H45 | 109.1° | 109.4° |
| C30 | C31 | C32 | 111.0° | 109.5° |
| C30 | C31 | H46 | 109.1° | 109.5° |
| C30 | C31 | H47 | 109.1° | 109.4° |
| H44 | C30 | H45 | 109.5° | 109.4° |
| C32 | C31 | H46 | 109.1° | 109.5° |
| C32 | C31 | H47 | 109.1° | 109.4° |
| C31 | C32 | C33 | 111.0° | 109.5° |
| C31 | C32 | H48 | 109.1° | 109.5° |
| C31 | C32 | H49 | 109.1° | 109.5° |
| H46 | C31 | H47 | 109.5° | 109.5° |
| C33 | C32 | H48 | 109.1° | 109.4° |
| C33 | C32 | H49 | 109.1° | 109.5° |
| C32 | C33 | N8 | 110.5° | 109.5° |
| C32 | C33 | H50 | 109.2° | 109.4° |
| C32 | C33 | H51 | 109.2° | 109.5° |
| H48 | C32 | H49 | 109.5° | 109.4° |
| N8 | C33 | H50 | 109.2° | 109.5° |
| N8 | C33 | H51 | 109.2° | 109.5° |
| C33 | N8 | H52 | 109.5° | 109.4° |
| C33 | N8 | H53 | 109.4° | 109.5° |
| C33 | N8 | H54 | 109.5° | 109.5° |
| H50 | C33 | H51 | 109.5° | 109.5° |
| H52 | N8 | H53 | 109.5° | 109.5° |
| H52 | N8 | H54 | 109.5° | 109.4° |
| H53 | N8 | H54 | 109.5° | 109.5° |
| C34 | N9 | H55 | 119.5° | 121.0° |
| N9 | C34 | C35 | 110.3° | 108.5° |
| N9 | C34 | C36 | 111.1° | 109.7° |
| N9 | C34 | H56 | 109.4° | 110.0° |
| C34 | N9 | C29 | 121.0° | 117.2° |
| H55 | N9 | C29 | 119.5° | 121.7° |
| C35 | C34 | C36 | 109.2° | 109.4° |
| C35 | C34 | H56 | 108.4° | 109.5° |
| C34 | C35 | O7 | 120.5° | 120.2° |
| C34 | C35 | N13 | 115.0° | 119.0° |
| C36 | C34 | H56 | 108.4° | 109.8° |
| C34 | C36 | C37 | 111.0° | 109.5° |
| C34 | C36 | H57 | 109.1° | 109.5° |
| C34 | C36 | H58 | 109.1° | 109.5° |
| O7 | C35 | N13 | 124.6° | 120.9° |
| C37 | C36 | H57 | 109.1° | 109.4° |
| C37 | C36 | H58 | 109.1° | 109.5° |
| C36 | C37 | C38 | 111.0° | 109.5° |
| C36 | C37 | H59 | 109.1° | 109.4° |
| C36 | C37 | H60 | 109.1° | 109.5° |
| H57 | C36 | H58 | 109.5° | 109.5° |
| C38 | C37 | H59 | 109.1° | 109.5° |
| C38 | C37 | H60 | 109.1° | 109.5° |
| C37 | C38 | N10 | 110.0° | 109.5° |
| C37 | C38 | H61 | 109.3° | 109.5° |
| C37 | C38 | H62 | 109.4° | 109.5° |
| H59 | C37 | H60 | 109.5° | 109.5° |
| N10 | C38 | H61 | 109.4° | 109.4° |
| N10 | C38 | H62 | 109.3° | 109.5° |
| C38 | N10 | C39 | 124.0° | 120.0° |
| C38 | N10 | H63 | 118.0° | 120.0° |
| H61 | C38 | H62 | 109.4° | 109.5° |
| C39 | N10 | H63 | 118.0° | 120.0° |
| N10 | C39 | N11 | 120.1° | 120.0° |
| N10 | C39 | N12 | 119.9° | 120.0° |
| N11 | C39 | N12 | 120.0° | 120.1° |
| C39 | N11 | H64 | 120.0° | 120.0° |
| C39 | N11 | H65 | 120.0° | 120.0° |
| C39 | N12 | H66 | 120.0° | 119.9° |
| C39 | N12 | H67 | 120.0° | 120.0° |
| H64 | N11 | H65 | 120.0° | 120.0° |
| H66 | N12 | H67 | 119.9° | 120.0° |
| C40 | N13 | H68 | 119.5° | 121.8° |
| N13 | C40 | C41 | 110.3° | 108.7° |
| N13 | C40 | C42 | 111.1° | 109.6° |
| N13 | C40 | H69 | 109.4° | 109.6° |
| C40 | N13 | C35 | 121.0° | 116.5° |
| H68 | N13 | C35 | 119.5° | 121.6° |
| C41 | C40 | C42 | 109.2° | 109.6° |
| C41 | C40 | H69 | 108.4° | 109.6° |
| C40 | C41 | O8 | 120.5° | 120.2° |
| C40 | C41 | N17 | 115.0° | 119.4° |
| C42 | C40 | H69 | 108.4° | 109.7° |
| C40 | C42 | C43 | 111.0° | 109.6° |
| C40 | C42 | H70 | 109.1° | 109.4° |
| C40 | C42 | H71 | 109.1° | 109.5° |
| O8 | C41 | N17 | 124.5° | 120.4° |
| C43 | C42 | H70 | 109.1° | 109.5° |
| C43 | C42 | H71 | 109.1° | 109.5° |
| C42 | C43 | C44 | 111.0° | 109.5° |
| C42 | C43 | H72 | 109.1° | 109.4° |
| C42 | C43 | H73 | 109.1° | 109.5° |
| H70 | C42 | H71 | 109.5° | 109.4° |
| C44 | C43 | H72 | 109.1° | 109.5° |
| C44 | C43 | H73 | 109.1° | 109.5° |
| C43 | C44 | N14 | 110.0° | 109.5° |
| C43 | C44 | H74 | 109.4° | 109.4° |
| C43 | C44 | H75 | 109.4° | 109.4° |
| H72 | C43 | H73 | 109.5° | 109.4° |
| N14 | C44 | H74 | 109.4° | 109.5° |
| N14 | C44 | H75 | 109.3° | 109.5° |
| C44 | N14 | C45 | 124.1° | 120.0° |
| C44 | N14 | H76 | 117.9° | 120.0° |
| H74 | C44 | H75 | 109.4° | 109.5° |
| C45 | N14 | H76 | 118.0° | 120.0° |
| N14 | C45 | N15 | 119.9° | 120.0° |
| N14 | C45 | N16 | 120.0° | 120.0° |
| N15 | C45 | N16 | 120.1° | 120.0° |
| C45 | N15 | H77 | 120.0° | 120.0° |
| C45 | N15 | H78 | 120.0° | 120.1° |
| C45 | N16 | H79 | 120.0° | 120.0° |
| C45 | N16 | H80 | 120.0° | 120.0° |
| H77 | N15 | H78 | 120.0° | 119.9° |
| H79 | N16 | H80 | 120.1° | 120.0° |
| C46 | N17 | H81 | 119.5° | 121.2° |
| N17 | C46 | C47 | 108.0° | 108.8° |
| N17 | C46 | C48 | 111.0° | 109.6° |
| N17 | C46 | H82 | 108.8° | 109.9° |
| C46 | N17 | C41 | 121.0° | 117.0° |
| H81 | N17 | C41 | 119.5° | 121.8° |
| C47 | C46 | C48 | 113.0° | 109.4° |
| C47 | C46 | H82 | 107.9° | 109.4° |
| C46 | C47 | O9 | 120.5° | 120.2° |
| C46 | C47 | N19 | 115.0° | 118.8° |
| C48 | C46 | H82 | 107.9° | 109.7° |
| C46 | C48 | C49 | 114.0° | 109.5° |
| C46 | C48 | H83 | 108.3° | 109.4° |
| C46 | C48 | H84 | 108.3° | 109.5° |
| O9 | C47 | N19 | 124.5° | 121.1° |
| C49 | C48 | H83 | 108.3° | 109.4° |
| C49 | C48 | H84 | 108.3° | 109.4° |
| C48 | C49 | C50 | 128.0° | 126.5° |
| C48 | C49 | C51 | 126.6° | 126.5° |
| H83 | C48 | H84 | 109.5° | 109.5° |
| C50 | C49 | C51 | 105.4° | 107.0° |
| C49 | C50 | N18 | 111.5° | 110.0° |
| C49 | C50 | H85 | 124.2° | 125.0° |
| C49 | C51 | C52 | 108.3° | 106.0° |
| C49 | C51 | C53 | 130.3° | 134.1° |
| N18 | C50 | H85 | 124.3° | 125.0° |
| C50 | N18 | C52 | 107.3° | 109.8° |
| C50 | N18 | H86 | 126.3° | 125.1° |
| C52 | C51 | C53 | 121.4° | 119.9° |
| C51 | C52 | N18 | 107.4° | 107.2° |
| C51 | C52 | C54 | 123.2° | 119.4° |
| C51 | C53 | C55 | 114.7° | 119.8° |
| C51 | C53 | H87 | 122.7° | 120.1° |
| C52 | N18 | H86 | 126.3° | 125.1° |
| N18 | C52 | C54 | 129.3° | 133.5° |
| C52 | C54 | C56 | 116.4° | 119.8° |
| C52 | C54 | H88 | 121.8° | 120.1° |
| C55 | C53 | H87 | 122.6° | 120.1° |
| C53 | C55 | C56 | 124.6° | 120.6° |
| C53 | C55 | H89 | 117.7° | 119.8° |
| C56 | C54 | H88 | 121.8° | 120.1° |
| C54 | C56 | C55 | 119.7° | 120.6° |
| C54 | C56 | H90 | 120.1° | 119.7° |
| C56 | C55 | H89 | 117.7° | 119.7° |
| C55 | C56 | H90 | 120.2° | 119.7° |
| C57 | N19 | H91 | 119.5° | 121.8° |
| N19 | C57 | C58 | 109.3° | 108.9° |
| N19 | C57 | C59 | 110.5° | 109.6° |
| N19 | C57 | H92 | 108.4° | 109.8° |
| C57 | N19 | C47 | 121.0° | 116.7° |
| H91 | N19 | C47 | 119.5° | 121.5° |
| C58 | C57 | C59 | 113.7° | 109.3° |
| C58 | C57 | H92 | 107.4° | 109.6° |
| C57 | C58 | O10 | 120.5° | 120.3° |
| C57 | C58 | N21 | 115.0° | 119.0° |
| C59 | C57 | H92 | 107.4° | 109.7° |
| C57 | C59 | C60 | 111.0° | 109.4° |
| C57 | C59 | H93 | 109.1° | 109.5° |
| C57 | C59 | H94 | 109.1° | 109.4° |
| O10 | C58 | N21 | 124.5° | 120.7° |
| C60 | C59 | H93 | 109.1° | 109.5° |
| C60 | C59 | H94 | 109.1° | 109.5° |
| C59 | C60 | C61 | 111.0° | 109.5° |
| C59 | C60 | H95 | 109.1° | 109.5° |
| C59 | C60 | H96 | 109.1° | 109.5° |
| H93 | C59 | H94 | 109.5° | 109.5° |
| C61 | C60 | H95 | 109.1° | 109.4° |
| C61 | C60 | H96 | 109.1° | 109.5° |
| C60 | C61 | C62 | 111.0° | 109.5° |
| C60 | C61 | H97 | 109.1° | 109.4° |
| C60 | C61 | H98 | 109.1° | 109.5° |
| H95 | C60 | H96 | 109.4° | 109.5° |
| C62 | C61 | H97 | 109.1° | 109.5° |
| C62 | C61 | H98 | 109.1° | 109.5° |
| C61 | C62 | N20 | 110.5° | 109.5° |
| C61 | C62 | H99 | 109.2° | 109.5° |
| C61 | C62 | H100 | 109.2° | 109.5° |
| H97 | C61 | H98 | 109.5° | 109.5° |
| N20 | C62 | H99 | 109.2° | 109.4° |
| N20 | C62 | H100 | 109.2° | 109.5° |
| C62 | N20 | H101 | 109.5° | 109.5° |
| C62 | N20 | H102 | 109.5° | 109.5° |
| C62 | N20 | H103 | 109.5° | 109.5° |
| H99 | C62 | H100 | 109.5° | 109.5° |
| H101 | N20 | H102 | 109.5° | 109.4° |
| H101 | N20 | H103 | 109.4° | 109.4° |
| H102 | N20 | H103 | 109.5° | 109.5° |
| C63 | N21 | H104 | 119.5° | 120.9° |
| N21 | C63 | C64 | 109.4° | 108.0° |
| N21 | C63 | C65 | 110.5° | 109.8° |
| N21 | C63 | H105 | 108.3° | 110.1° |
| C63 | N21 | C58 | 121.0° | 117.4° |
| H104 | N21 | C58 | 119.5° | 121.6° |
| C64 | C63 | C65 | 113.6° | 109.6° |
| C64 | C63 | H105 | 107.4° | 109.5° |
| C63 | C64 | O11 | 120.4° | 119.7° |
| C63 | C64 | N23 | 115.1° | 119.7° |
| C65 | C63 | H105 | 107.4° | 109.8° |
| C63 | C65 | C66 | 111.0° | 109.4° |
| C63 | C65 | H106 | 109.1° | 109.5° |
| C63 | C65 | H107 | 109.1° | 109.5° |
| O11 | C64 | N23 | 124.5° | 120.6° |
| C66 | C65 | H106 | 109.1° | 109.5° |
| C66 | C65 | H107 | 109.1° | 109.5° |
| C65 | C66 | C67 | 111.0° | 109.5° |
| C65 | C66 | H108 | 109.1° | 109.5° |
| C65 | C66 | H109 | 109.1° | 109.5° |
| H106 | C65 | H107 | 109.5° | 109.5° |
| C67 | C66 | H108 | 109.1° | 109.5° |
| C67 | C66 | H109 | 109.1° | 109.4° |
| C66 | C67 | C68 | 111.0° | 109.5° |
| C66 | C67 | H110 | 109.1° | 109.5° |
| C66 | C67 | H111 | 109.1° | 109.4° |
| H108 | C66 | H109 | 109.5° | 109.4° |
| C68 | C67 | H110 | 109.1° | 109.5° |
| C68 | C67 | H111 | 109.1° | 109.5° |
| C67 | C68 | N22 | 110.5° | 109.5° |
| C67 | C68 | H112 | 109.2° | 109.4° |
| C67 | C68 | H113 | 109.2° | 109.4° |
| H110 | C67 | H111 | 109.5° | 109.4° |
| N22 | C68 | H112 | 109.2° | 109.5° |
| N22 | C68 | H113 | 109.2° | 109.5° |
| C68 | N22 | H114 | 109.5° | 109.5° |
| C68 | N22 | H115 | 109.5° | 109.5° |
| C68 | N22 | H116 | 109.5° | 109.5° |
| H112 | C68 | H113 | 109.5° | 109.5° |
| H114 | N22 | H115 | 109.5° | 109.4° |
| H114 | N22 | H116 | 109.5° | 109.5° |
| H115 | N22 | H116 | 109.5° | 109.5° |
| C69 | N23 | H117 | 119.5° | 122.5° |
| N23 | C69 | C70 | 109.3° | 109.8° |
| N23 | C69 | C71 | 109.6° | 109.5° |
| N23 | C69 | H118 | 109.1° | 109.6° |
| C69 | N23 | C64 | 121.0° | 115.7° |
| H117 | N23 | C64 | 119.5° | 121.8° |
| C70 | C69 | C71 | 112.4° | 109.5° |
| C70 | C69 | H118 | 108.2° | 109.0° |
| C69 | C70 | O12 | 120.5° | 120.8° |
| C69 | C70 | N24 | 115.0° | 117.9° |
| C71 | C69 | H118 | 108.2° | 109.4° |
| C69 | C71 | H119 | 109.5° | 109.5° |
| C69 | C71 | H120 | 109.5° | 109.5° |
| C69 | C71 | H121 | 109.4° | 109.5° |
| O12 | C70 | N24 | 124.5° | 121.3° |
| H119 | C71 | H120 | 109.5° | 109.5° |
| H119 | C71 | H121 | 109.5° | 109.5° |
| H120 | C71 | H121 | 109.4° | 109.4° |
| C72 | N24 | H122 | 119.5° | 120.3° |
| N24 | C72 | C73 | 109.3° | 107.9° |
| N24 | C72 | C74 | 110.5° | 108.7° |
| N24 | C72 | H123 | 108.4° | 110.3° |
| C72 | N24 | C70 | 121.0° | 118.2° |
| H122 | N24 | C70 | 119.5° | 121.4° |
| C73 | C72 | C74 | 113.7° | 109.8° |
| C73 | C72 | H123 | 107.4° | 110.0° |
| C72 | C73 | O13 | 123.8° | 118.9° |
| C72 | C73 | N26 | 115.0° | 121.9° |
| C74 | C72 | H123 | 107.4° | 110.1° |
| C72 | C74 | C75 | 111.0° | 109.5° |
| C72 | C74 | H124 | 109.1° | 109.4° |
| C72 | C74 | H125 | 109.1° | 109.5° |
| O13 | C73 | N26 | 121.3° | 119.3° |
| C75 | C74 | H124 | 109.1° | 109.5° |
| C75 | C74 | H125 | 109.1° | 109.5° |
| C74 | C75 | C76 | 111.0° | 109.5° |
| C74 | C75 | H126 | 109.1° | 109.4° |
| C74 | C75 | H127 | 109.1° | 109.5° |
| H124 | C74 | H125 | 109.5° | 109.4° |
| C76 | C75 | H126 | 109.1° | 109.5° |
| C76 | C75 | H127 | 109.1° | 109.5° |
| C75 | C76 | C77 | 111.0° | 109.5° |
| C75 | C76 | H128 | 109.1° | 109.5° |
| C75 | C76 | H129 | 109.1° | 109.5° |
| H126 | C75 | H127 | 109.5° | 109.5° |
| C77 | C76 | H128 | 109.1° | 109.5° |
| C77 | C76 | H129 | 109.1° | 109.5° |
| C76 | C77 | N25 | 110.5° | 109.5° |
| C76 | C77 | H130 | 109.2° | 109.5° |
| C76 | C77 | H131 | 109.2° | 109.5° |
| H128 | C76 | H129 | 109.5° | 109.4° |
| N25 | C77 | H130 | 109.2° | 109.5° |
| N25 | C77 | H131 | 109.2° | 109.5° |
| C77 | N25 | H132 | 109.5° | 109.5° |
| C77 | N25 | H133 | 109.5° | 109.5° |
| C77 | N25 | H134 | 109.5° | 109.5° |
| H130 | C77 | H131 | 109.5° | 109.5° |
| H132 | N25 | H133 | 109.4° | 109.5° |
| H132 | N25 | H134 | 109.5° | 109.5° |
| H133 | N25 | H134 | 109.4° | 109.5° |
| C78 | N26 | C81 | 113.8° | 107.3° |
| N26 | C78 | C79 | 100.3° | 106.1° |
| N26 | C78 | C82 | 115.2° | 110.3° |
| N26 | C78 | H135 | 109.1° | 110.1° |
| C78 | N26 | C73 | 122.3° | 125.2° |
| N26 | C81 | C80 | 103.5° | 106.0° |
| N26 | C81 | H140 | 111.0° | 110.0° |
| N26 | C81 | H141 | 111.0° | 110.8° |
| C81 | N26 | C73 | 123.9° | 127.5° |
| C79 | C78 | C82 | 115.3° | 109.8° |
| C79 | C78 | H135 | 108.4° | 110.0° |
| C78 | C79 | C80 | 105.0° | 105.9° |
| C78 | C79 | H136 | 110.6° | 109.9° |
| C78 | C79 | H137 | 110.5° | 110.4° |
| C82 | C78 | H135 | 108.1° | 110.5° |
| C78 | C82 | O14 | 122.1° | 119.8° |
| C78 | C82 | N27 | 116.4° | 120.2° |
| C80 | C79 | H136 | 110.6° | 110.0° |
| C80 | C79 | H137 | 110.6° | 110.0° |
| C79 | C80 | C81 | 104.1° | 105.1° |
| C79 | C80 | H138 | 110.8° | 110.1° |
| C79 | C80 | H139 | 110.8° | 110.5° |
| H136 | C79 | H137 | 109.5° | 110.6° |
| C81 | C80 | H138 | 110.8° | 109.7° |
| C81 | C80 | H139 | 110.8° | 110.4° |
| C80 | C81 | H140 | 110.9° | 109.9° |
| C80 | C81 | H141 | 110.9° | 109.6° |
| H138 | C80 | H139 | 109.5° | 110.9° |
| H140 | C81 | H141 | 109.5° | 110.3° |
| O14 | C82 | N27 | 121.5° | 119.9° |
| C83 | N27 | C87 | 115.3° | 107.7° |
| N27 | C83 | C84 | 117.5° | 110.5° |
| N27 | C83 | C85 | 100.8° | 106.2° |
| N27 | C83 | H142 | 108.3° | 110.2° |
| C83 | N27 | C82 | 122.0° | 126.4° |
| N27 | C87 | C86 | 102.5° | 107.0° |
| N27 | C87 | H147 | 111.2° | 110.1° |
| N27 | C87 | H148 | 111.2° | 110.0° |
| C87 | N27 | C82 | 122.6° | 125.9° |
| C84 | C83 | C85 | 114.9° | 108.9° |
| C84 | C83 | H142 | 107.3° | 111.0° |
| C83 | C84 | O15 | 121.2° | 120.2° |
| C83 | C84 | N1 | 114.4° | 119.1° |
| C85 | C83 | H142 | 107.5° | 110.1° |
| C83 | C85 | C86 | 105.9° | 104.8° |
| C83 | C85 | H143 | 110.4° | 110.1° |
| C83 | C85 | H144 | 110.3° | 110.1° |
| O15 | C84 | N1 | 123.8° | 120.7° |
| C86 | C85 | H143 | 110.3° | 110.5° |
| C86 | C85 | H144 | 110.4° | 110.4° |
| C85 | C86 | C87 | 104.5° | 106.3° |
| C85 | C86 | H145 | 110.7° | 110.0° |
| C85 | C86 | H146 | 110.7° | 110.0° |
| H143 | C85 | H144 | 109.5° | 110.6° |
| C87 | C86 | H145 | 110.7° | 110.2° |
| C87 | C86 | H146 | 110.7° | 110.0° |
| C86 | C87 | H147 | 111.2° | 109.7° |
| C86 | C87 | H148 | 111.2° | 109.8° |
| H145 | C86 | H146 | 109.5° | 110.3° |
| H147 | C87 | H148 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C84 | 180.0° | 179.8° |
| N1 | C1 | C2 | C3 | 121.4° | 120.2° |
| N1 | C1 | C2 | H2 | 119.0° | 119.9° |
| N1 | C1 | C3 | H2 | 117.7° | 120.3° |
| N1 | C1 | C2 | O1 | 55.2° | 22.2° |
| N1 | C1 | C3 | O2 | 97.9° | 65.0° |
| N1 | C1 | C3 | C4 | 150.0° | 55.0° |
| N1 | C1 | C3 | H3 | 24.2° | 175.0° |
| C1 | N1 | C84 | C83 | 173.6° | 179.4° |
| C1 | N1 | C84 | O15 | 2.7° | 0.1° |
| N1 | C1 | C2 | N2 | 124.9° | 158.1° |
| H1 | N1 | C1 | C2 | 20.0° | 23.3° |
| H1 | N1 | C1 | C3 | 144.5° | 96.6° |
| H1 | N1 | C1 | H2 | 98.4° | 143.1° |
| H1 | N1 | C84 | C83 | 6.4° | 0.4° |
| H1 | N1 | C84 | O15 | 177.3° | 179.9° |
| C2 | C1 | C3 | H2 | 119.6° | 119.7° |
| C1 | C2 | O1 | N2 | 179.9° | 179.7° |
| C2 | C1 | C3 | O2 | 139.4° | 55.0° |
| C2 | C1 | C3 | C4 | 27.3° | 175.0° |
| C2 | C1 | C3 | H3 | 98.5° | 65.0° |
| C1 | C2 | N2 | C5 | 180.0° | 177.9° |
| C1 | C2 | N2 | H8 | 0.0° | 1.9° |
| C2 | C1 | N1 | C84 | 160.0° | 156.5° |
| C3 | C1 | C2 | O1 | 66.2° | 98.0° |
| C1 | C3 | O2 | C4 | 118.0° | 120.0° |
| C1 | C3 | O2 | H3 | 121.0° | 120.0° |
| C1 | C3 | C4 | H3 | 125.8° | 120.0° |
| C1 | C3 | O2 | H4 | 75.9° | 60.0° |
| C1 | C3 | C4 | H5 | 180.0° | 60.0° |
| C1 | C3 | C4 | H6 | 60.0° | 180.0° |
| C1 | C3 | C4 | H7 | 60.0° | 60.0° |
| C3 | C1 | N1 | C84 | 35.4° | 83.6° |
| C3 | C1 | C2 | N2 | 113.7° | 81.7° |
| H2 | C1 | C2 | O1 | 174.2° | 142.1° |
| H2 | C1 | C3 | O2 | 19.8° | 174.8° |
| H2 | C1 | C3 | C4 | 92.3° | 65.3° |
| H2 | C1 | C3 | H3 | 141.9° | 54.7° |
| H2 | C1 | N1 | C84 | 81.6° | 36.7° |
| H2 | C1 | C2 | N2 | 5.8° | 38.2° |
| O1 | C2 | N2 | C5 | 0.1° | 1.7° |
| O1 | C2 | N2 | H8 | 179.9° | 178.4° |
| O2 | C3 | C4 | H3 | 122.1° | 120.0° |
| O2 | C3 | C4 | H5 | 67.9° | 60.0° |
| O2 | C3 | C4 | H6 | 172.1° | 60.0° |
| O2 | C3 | C4 | H7 | 52.1° | 180.0° |
| C4 | C3 | O2 | H4 | 166.1° | 179.9° |
| C3 | C4 | H5 | H6 | 120.0° | 120.0° |
| C3 | C4 | H5 | H7 | 120.0° | 120.1° |
| C3 | C4 | H6 | H7 | 120.0° | 120.0° |
| H3 | C3 | O2 | H4 | 45.0° | 60.0° |
| H3 | C3 | C4 | H5 | 54.2° | 180.0° |
| H3 | C3 | C4 | H6 | 65.8° | 60.0° |
| H3 | C3 | C4 | H7 | 174.2° | 60.0° |
| H5 | C4 | H6 | H7 | 120.0° | 120.0° |
| C5 | N2 | H8 | C2 | 180.0° | 179.8° |
| N2 | C5 | C6 | C7 | 123.2° | 119.8° |
| N2 | C5 | C6 | H9 | 117.6° | 119.8° |
| N2 | C5 | C7 | H9 | 119.3° | 120.9° |
| N2 | C5 | C6 | O3 | 2.4° | 70.0° |
| N2 | C5 | C7 | C8 | 110.6° | 65.0° |
| N2 | C5 | C7 | H10 | 128.7° | 54.9° |
| N2 | C5 | C7 | H11 | 10.1° | 175.0° |
| N2 | C5 | C6 | N4 | 177.6° | 110.1° |
| H8 | N2 | C5 | C6 | 127.2° | 32.2° |
| H8 | N2 | C5 | C7 | 2.8° | 87.4° |
| H8 | N2 | C5 | H9 | 115.9° | 151.8° |
| C6 | C5 | C7 | H9 | 119.3° | 120.2° |
| C5 | C6 | O3 | N4 | 180.0° | 179.8° |
| C6 | C5 | C7 | C8 | 10.8° | 176.0° |
| C6 | C5 | C7 | H10 | 109.9° | 64.0° |
| C6 | C5 | C7 | H11 | 131.5° | 56.1° |
| C5 | C6 | N4 | C16 | 180.0° | 177.4° |
| C5 | C6 | N4 | H18 | 0.0° | 2.5° |
| C6 | C5 | N2 | C2 | 52.8° | 147.7° |
| C7 | C5 | C6 | O3 | 125.6° | 49.8° |
| C5 | C7 | C8 | H10 | 120.7° | 120.0° |
| C5 | C7 | C8 | H11 | 120.7° | 120.0° |
| C5 | C7 | H10 | H11 | 117.9° | 120.0° |
| C5 | C7 | C8 | C9 | 63.6° | 95.0° |
| C5 | C7 | C8 | C10 | 116.3° | 84.8° |
| C7 | C5 | N2 | C2 | 177.1° | 92.7° |
| C7 | C5 | C6 | N4 | 54.4° | 130.0° |
| H9 | C5 | C6 | O3 | 115.1° | 170.2° |
| H9 | C5 | C7 | C8 | 130.1° | 55.8° |
| H9 | C5 | C7 | H10 | 9.4° | 175.8° |
| H9 | C5 | C7 | H11 | 109.2° | 64.2° |
| H9 | C5 | N2 | C2 | 64.2° | 28.1° |
| H9 | C5 | C6 | N4 | 64.9° | 9.7° |
| O3 | C6 | N4 | C16 | 0.0° | 2.8° |
| O3 | C6 | N4 | H18 | 180.0° | 177.4° |
| C8 | C7 | H10 | H11 | 117.9° | 120.0° |
| C7 | C8 | C9 | C10 | 179.9° | 179.8° |
| C7 | C8 | C9 | N3 | 180.0° | 180.0° |
| C7 | C8 | C9 | H12 | 0.1° | 0.0° |
| C7 | C8 | C10 | C11 | 180.0° | 180.0° |
| C7 | C8 | C10 | C12 | 0.1° | 0.0° |
| H10 | C7 | C8 | C9 | 175.7° | 145.0° |
| H10 | C7 | C8 | C10 | 4.4° | 35.2° |
| H11 | C7 | C8 | C9 | 57.1° | 25.0° |
| H11 | C7 | C8 | C10 | 123.0° | 155.3° |
| C8 | C9 | N3 | H12 | 180.0° | 180.0° |
| C9 | C8 | C10 | C11 | 0.1° | 0.2° |
| C9 | C8 | C10 | C12 | 180.0° | 179.8° |
| C8 | C9 | N3 | C11 | 0.0° | 0.1° |
| C8 | C9 | N3 | H13 | 180.0° | 180.0° |
| C10 | C8 | C9 | N3 | 0.0° | 0.2° |
| C10 | C8 | C9 | H12 | 180.0° | 179.8° |
| C8 | C10 | C11 | C12 | 180.0° | 180.0° |
| C8 | C10 | C11 | N3 | 0.1° | 0.2° |
| C8 | C10 | C11 | C13 | 180.0° | 180.0° |
| C8 | C10 | C12 | C14 | 179.9° | 180.0° |
| C8 | C10 | C12 | H14 | 0.1° | 0.0° |
| C9 | N3 | C11 | C10 | 0.0° | 0.1° |
| C9 | N3 | C11 | H13 | 180.0° | 180.0° |
| C9 | N3 | C11 | C13 | 180.0° | 179.8° |
| H12 | C9 | N3 | C11 | 180.0° | 179.9° |
| H12 | C9 | N3 | H13 | 0.0° | 0.1° |
| C10 | C11 | N3 | C13 | 179.9° | 179.7° |
| C10 | C11 | N3 | H13 | 180.0° | 179.9° |
| C11 | C10 | C12 | C14 | 0.0° | 0.0° |
| C11 | C10 | C12 | H14 | 180.0° | 180.0° |
| C10 | C11 | C13 | C15 | 0.1° | 0.0° |
| C10 | C11 | C13 | H15 | 179.9° | 180.0° |
| C12 | C10 | C11 | N3 | 180.0° | 179.8° |
| C12 | C10 | C11 | C13 | 0.0° | 0.0° |
| C10 | C12 | C14 | H14 | 180.0° | 179.9° |
| C10 | C12 | C14 | C15 | 0.0° | 0.1° |
| C10 | C12 | C14 | H16 | 180.0° | 180.0° |
| N3 | C11 | C13 | C15 | 180.0° | 179.7° |
| N3 | C11 | C13 | H15 | 0.0° | 0.3° |
| H13 | N3 | C11 | C13 | 0.0° | 0.1° |
| C11 | C13 | C15 | H15 | 180.0° | 180.0° |
| C11 | C13 | C15 | C14 | 0.0° | 0.0° |
| C11 | C13 | C15 | H17 | 179.9° | 179.9° |
| C12 | C14 | C15 | C13 | 0.0° | 0.1° |
| C12 | C14 | C15 | H16 | 180.0° | 179.9° |
| C12 | C14 | C15 | H17 | 180.0° | 179.9° |
| H14 | C12 | C14 | C15 | 180.0° | 180.0° |
| H14 | C12 | C14 | H16 | 0.0° | 0.1° |
| C13 | C15 | C14 | H17 | 180.0° | 180.0° |
| C13 | C15 | C14 | H16 | 180.0° | 180.0° |
| H15 | C13 | C15 | C14 | 179.9° | 180.0° |
| H15 | C13 | C15 | H17 | 0.1° | 0.0° |
| H16 | C14 | C15 | H17 | 0.0° | 0.0° |
| C16 | N4 | H18 | C6 | 180.0° | 179.8° |
| N4 | C16 | C17 | C18 | 123.9° | 119.8° |
| N4 | C16 | C17 | H19 | 117.4° | 120.1° |
| N4 | C16 | C18 | H19 | 118.0° | 120.4° |
| N4 | C16 | C17 | O4 | 123.3° | 0.4° |
| N4 | C16 | C18 | C19 | 126.2° | 53.5° |
| N4 | C16 | C18 | H20 | 5.3° | 173.5° |
| N4 | C16 | C18 | H21 | 112.8° | 66.4° |
| N4 | C16 | C17 | N5 | 56.6° | 179.5° |
| H18 | N4 | C16 | C17 | 3.5° | 24.4° |
| H18 | N4 | C16 | C18 | 129.3° | 95.4° |
| H18 | N4 | C16 | H19 | 113.3° | 144.3° |
| C17 | C16 | C18 | H19 | 118.7° | 120.0° |
| C16 | C17 | O4 | N5 | 179.9° | 179.9° |
| C17 | C16 | C18 | C19 | 110.4° | 66.0° |
| C17 | C16 | C18 | H20 | 128.6° | 54.0° |
| C17 | C16 | C18 | H21 | 10.5° | 174.0° |
| C16 | C17 | N5 | C22 | 180.0° | 176.8° |
| C16 | C17 | N5 | H29 | 0.0° | 3.3° |
| C17 | C16 | N4 | C6 | 176.5° | 155.8° |
| C18 | C16 | C17 | O4 | 112.7° | 119.4° |
| C16 | C18 | C19 | H20 | 121.0° | 120.0° |
| C16 | C18 | C19 | H21 | 121.0° | 120.0° |
| C16 | C18 | H20 | H21 | 117.0° | 120.1° |
| C16 | C18 | C19 | C20 | 67.1° | 68.0° |
| C16 | C18 | C19 | C21 | 167.6° | 172.0° |
| C16 | C18 | C19 | H22 | 50.2° | 52.0° |
| C18 | C16 | N4 | C6 | 50.7° | 84.4° |
| C18 | C16 | C17 | N5 | 67.4° | 60.6° |
| H19 | C16 | C17 | O4 | 6.0° | 120.5° |
| H19 | C16 | C18 | C19 | 8.2° | 173.9° |
| H19 | C16 | C18 | H20 | 112.7° | 66.1° |
| H19 | C16 | C18 | H21 | 129.2° | 54.0° |
| H19 | C16 | N4 | C6 | 66.7° | 35.9° |
| H19 | C16 | C17 | N5 | 174.0° | 59.5° |
| O4 | C17 | N5 | C22 | 0.1° | 3.2° |
| O4 | C17 | N5 | H29 | 179.9° | 176.6° |
| C19 | C18 | H20 | H21 | 117.0° | 119.9° |
| C18 | C19 | C20 | C21 | 124.8° | 120.0° |
| C18 | C19 | C20 | H22 | 117.3° | 120.0° |
| C18 | C19 | C21 | H22 | 117.4° | 120.0° |
| C18 | C19 | C20 | H23 | 180.0° | 43.6° |
| C18 | C19 | C20 | H24 | 60.0° | 163.6° |
| C18 | C19 | C20 | H25 | 60.0° | 76.4° |
| C18 | C19 | C21 | H26 | 180.0° | 60.0° |
| C18 | C19 | C21 | H27 | 60.0° | 180.0° |
| C18 | C19 | C21 | H28 | 60.0° | 60.0° |
| H20 | C18 | C19 | C20 | 53.9° | 52.0° |
| H20 | C18 | C19 | C21 | 71.4° | 68.0° |
| H20 | C18 | C19 | H22 | 171.2° | 172.1° |
| H21 | C18 | C19 | C20 | 172.0° | 172.0° |
| H21 | C18 | C19 | C21 | 46.7° | 52.0° |
| H21 | C18 | C19 | H22 | 70.7° | 68.0° |
| C20 | C19 | C21 | H22 | 117.9° | 120.1° |
| C19 | C20 | H23 | H24 | 120.0° | 120.0° |
| C19 | C20 | H23 | H25 | 120.0° | 120.0° |
| C19 | C20 | H24 | H25 | 120.0° | 120.0° |
| C20 | C19 | C21 | H26 | 55.3° | 180.0° |
| C20 | C19 | C21 | H27 | 64.7° | 60.0° |
| C20 | C19 | C21 | H28 | 175.3° | 60.0° |
| C21 | C19 | C20 | H23 | 55.2° | 76.4° |
| C21 | C19 | C20 | H24 | 175.3° | 43.6° |
| C21 | C19 | C20 | H25 | 64.8° | 163.6° |
| C19 | C21 | H26 | H27 | 120.0° | 120.0° |
| C19 | C21 | H26 | H28 | 120.0° | 120.0° |
| C19 | C21 | H27 | H28 | 120.0° | 120.0° |
| H22 | C19 | C20 | H23 | 62.7° | 163.6° |
| H22 | C19 | C20 | H24 | 57.3° | 76.4° |
| H22 | C19 | C20 | H25 | 177.3° | 43.6° |
| H22 | C19 | C21 | H26 | 62.6° | 59.9° |
| H22 | C19 | C21 | H27 | 177.4° | 60.1° |
| H22 | C19 | C21 | H28 | 57.4° | 180.0° |
| H23 | C20 | H24 | H25 | 120.0° | 120.0° |
| H26 | C21 | H27 | H28 | 120.0° | 120.0° |
| C22 | N5 | H29 | C17 | 180.0° | 179.8° |
| N5 | C22 | C23 | C24 | 124.0° | 119.6° |
| N5 | C22 | C23 | H30 | 117.4° | 120.3° |
| N5 | C22 | C24 | H30 | 118.0° | 120.9° |
| N5 | C22 | C23 | O5 | 76.7° | 71.8° |
| N5 | C22 | C24 | C25 | 178.1° | 65.0° |
| N5 | C22 | C24 | H31 | 61.7° | 55.0° |
| N5 | C22 | C24 | H32 | 57.9° | 175.0° |
| N5 | C22 | C23 | N7 | 103.2° | 108.3° |
| H29 | N5 | C22 | C23 | 118.7° | 50.5° |
| H29 | N5 | C22 | C24 | 115.5° | 68.9° |
| H29 | N5 | C22 | H30 | 1.9° | 170.5° |
| C23 | C22 | C24 | H30 | 118.7° | 120.0° |
| C22 | C23 | O5 | N7 | 179.9° | 179.9° |
| C23 | C22 | C24 | C25 | 54.8° | 175.9° |
| C23 | C22 | C24 | H31 | 175.0° | 64.1° |
| C23 | C22 | C24 | H32 | 65.5° | 55.8° |
| C22 | C23 | N7 | C28 | 180.0° | 176.9° |
| C22 | C23 | N7 | H42 | 0.0° | 3.1° |
| C23 | C22 | N5 | C17 | 61.3° | 129.7° |
| C24 | C22 | C23 | O5 | 47.3° | 47.7° |
| C22 | C24 | C25 | H31 | 120.2° | 120.0° |
| C22 | C24 | C25 | H32 | 120.2° | 120.0° |
| C22 | C24 | H31 | H32 | 119.3° | 120.0° |
| C22 | C24 | C25 | C26 | 172.6° | 180.0° |
| C22 | C24 | C25 | H33 | 67.2° | 60.0° |
| C22 | C24 | C25 | H34 | 52.3° | 60.0° |
| C24 | C22 | N5 | C17 | 64.5° | 110.9° |
| C24 | C22 | C23 | N7 | 132.8° | 132.1° |
| H30 | C22 | C23 | O5 | 165.9° | 167.9° |
| H30 | C22 | C24 | C25 | 63.9° | 55.9° |
| H30 | C22 | C24 | H31 | 56.3° | 175.9° |
| H30 | C22 | C24 | H32 | 175.9° | 64.2° |
| H30 | C22 | N5 | C17 | 178.1° | 9.7° |
| H30 | C22 | C23 | N7 | 14.1° | 12.0° |
| O5 | C23 | N7 | C28 | 0.1° | 3.2° |
| O5 | C23 | N7 | H42 | 180.0° | 176.8° |
| C25 | C24 | H31 | H32 | 119.3° | 120.1° |
| C24 | C25 | C26 | H33 | 120.2° | 120.0° |
| C24 | C25 | C26 | H34 | 120.2° | 120.1° |
| C24 | C25 | H33 | H34 | 119.3° | 120.1° |
| C24 | C25 | C26 | C27 | 114.4° | 180.0° |
| C24 | C25 | C26 | H35 | 125.4° | 60.0° |
| C24 | C25 | C26 | H36 | 5.8° | 60.0° |
| H31 | C24 | C25 | C26 | 52.4° | 60.0° |
| H31 | C24 | C25 | H33 | 172.6° | NaN° |
| H31 | C24 | C25 | H34 | 67.9° | 60.0° |
| H32 | C24 | C25 | C26 | 67.2° | 60.0° |
| H32 | C24 | C25 | H33 | 53.0° | 60.0° |
| H32 | C24 | C25 | H34 | 172.5° | 180.0° |
| C26 | C25 | H33 | H34 | 119.3° | 120.0° |
| C25 | C26 | C27 | H35 | 120.2° | 120.0° |
| C25 | C26 | C27 | H36 | 120.2° | 120.0° |
| C25 | C26 | H35 | H36 | 119.3° | 120.0° |
| C25 | C26 | C27 | N6 | 144.7° | 180.0° |
| C25 | C26 | C27 | H37 | 95.2° | 60.0° |
| C25 | C26 | C27 | H38 | 24.5° | 60.0° |
| H33 | C25 | C26 | C27 | 5.8° | 60.0° |
| H33 | C25 | C26 | H35 | 114.4° | 180.0° |
| H33 | C25 | C26 | H36 | 126.1° | 60.0° |
| H34 | C25 | C26 | C27 | 125.4° | 60.0° |
| H34 | C25 | C26 | H35 | 5.1° | 60.0° |
| H34 | C25 | C26 | H36 | 114.4° | 180.0° |
| C27 | C26 | H35 | H36 | 119.3° | 120.0° |
| C26 | C27 | N6 | H37 | 120.1° | 120.0° |
| C26 | C27 | N6 | H38 | 120.2° | 120.0° |
| C26 | C27 | H37 | H38 | 119.5° | 120.0° |
| C26 | C27 | N6 | H39 | 180.0° | 60.0° |
| C26 | C27 | N6 | H40 | 60.0° | 60.0° |
| C26 | C27 | N6 | H41 | 60.0° | 180.0° |
| H35 | C26 | C27 | N6 | 24.5° | 60.0° |
| H35 | C26 | C27 | H37 | 144.6° | 180.0° |
| H35 | C26 | C27 | H38 | 95.7° | 60.0° |
| H36 | C26 | C27 | N6 | 95.1° | 60.0° |
| H36 | C26 | C27 | H37 | 25.1° | 60.0° |
| H36 | C26 | C27 | H38 | 144.8° | 180.0° |
| N6 | C27 | H37 | H38 | 119.5° | 120.0° |
| C27 | N6 | H39 | H40 | 120.0° | 120.0° |
| C27 | N6 | H39 | H41 | 120.0° | 120.0° |
| C27 | N6 | H40 | H41 | 120.0° | 120.0° |
| H37 | C27 | N6 | H39 | 59.8° | 180.0° |
| H37 | C27 | N6 | H40 | 179.8° | 60.0° |
| H37 | C27 | N6 | H41 | 60.1° | 60.0° |
| H38 | C27 | N6 | H39 | 59.9° | 60.0° |
| H38 | C27 | N6 | H40 | 60.1° | 180.0° |
| H38 | C27 | N6 | H41 | 179.8° | 60.0° |
| H39 | N6 | H40 | H41 | 120.0° | 120.0° |
| C28 | N7 | H42 | C23 | 180.0° | 180.0° |
| N7 | C28 | C29 | C30 | 124.0° | 119.7° |
| N7 | C28 | C29 | H43 | 117.3° | 120.0° |
| N7 | C28 | C30 | H43 | 118.0° | 120.6° |
| N7 | C28 | C29 | O6 | 124.9° | 0.7° |
| N7 | C28 | C30 | C31 | 151.1° | 65.0° |
| N7 | C28 | C30 | H44 | 30.9° | 55.1° |
| N7 | C28 | C30 | H45 | 88.7° | 175.0° |
| N7 | C28 | C29 | N9 | 55.1° | 179.1° |
| H42 | N7 | C28 | C29 | 24.5° | 24.7° |
| H42 | N7 | C28 | C30 | 101.3° | 94.9° |
| H42 | N7 | C28 | H43 | 141.3° | 144.6° |
| C29 | C28 | C30 | H43 | 118.7° | 120.2° |
| C28 | C29 | O6 | N9 | 179.9° | 179.8° |
| C29 | C28 | C30 | C31 | 85.6° | 175.8° |
| C29 | C28 | C30 | H44 | 154.2° | 64.2° |
| C29 | C28 | C30 | H45 | 34.7° | 55.8° |
| C28 | C29 | N9 | C34 | 180.0° | 177.5° |
| C28 | C29 | N9 | H55 | 0.1° | 2.8° |
| C29 | C28 | N7 | C23 | 155.4° | 155.3° |
| C30 | C28 | C29 | O6 | 111.1° | 120.5° |
| C28 | C30 | C31 | H44 | 120.2° | 120.0° |
| C28 | C30 | C31 | H45 | 120.2° | 120.0° |
| C28 | C30 | H44 | H45 | 119.3° | 120.0° |
| C28 | C30 | C31 | C32 | 149.4° | 180.0° |
| C28 | C30 | C31 | H46 | 90.3° | 60.0° |
| C28 | C30 | C31 | H47 | 29.2° | 60.0° |
| C30 | C28 | N7 | C23 | 78.7° | 85.0° |
| C30 | C28 | C29 | N9 | 68.9° | 59.4° |
| H43 | C28 | C29 | O6 | 7.6° | 119.3° |
| H43 | C28 | C30 | C31 | 33.1° | 55.6° |
| H43 | C28 | C30 | H44 | 87.1° | 175.6° |
| H43 | C28 | C30 | H45 | 153.3° | 64.4° |
| H43 | C28 | N7 | C23 | 38.7° | 35.5° |
| H43 | C28 | C29 | N9 | 172.4° | 60.9° |
| O6 | C29 | N9 | C34 | 0.0° | 2.3° |
| O6 | C29 | N9 | H55 | 180.0° | 177.4° |
| C31 | C30 | H44 | H45 | 119.3° | 119.9° |
| C30 | C31 | C32 | H46 | 120.2° | 120.0° |
| C30 | C31 | C32 | H47 | 120.2° | 119.9° |
| C30 | C31 | H46 | H47 | 119.3° | 119.9° |
| C30 | C31 | C32 | C33 | 98.5° | 179.9° |
| C30 | C31 | C32 | H48 | 141.2° | 60.0° |
| C30 | C31 | C32 | H49 | 21.7° | 60.0° |
| H44 | C30 | C31 | C32 | 29.2° | 60.0° |
| H44 | C30 | C31 | H46 | 149.4° | 180.0° |
| H44 | C30 | C31 | H47 | 91.0° | 60.0° |
| H45 | C30 | C31 | C32 | 90.3° | 60.0° |
| H45 | C30 | C31 | H46 | 29.9° | 60.1° |
| H45 | C30 | C31 | H47 | 149.5° | 179.9° |
| C32 | C31 | H46 | H47 | 119.3° | 120.0° |
| C31 | C32 | C33 | H48 | 120.2° | 120.0° |
| C31 | C32 | C33 | H49 | 120.2° | 120.0° |
| C31 | C32 | H48 | H49 | 119.3° | 120.0° |
| C31 | C32 | C33 | N8 | 134.8° | 180.0° |
| C31 | C32 | C33 | H50 | 105.0° | 60.0° |
| C31 | C32 | C33 | H51 | 14.7° | 60.0° |
| H46 | C31 | C32 | C33 | 21.7° | 60.0° |
| H46 | C31 | C32 | H48 | 98.5° | 180.0° |
| H46 | C31 | C32 | H49 | 142.0° | 60.0° |
| H47 | C31 | C32 | C33 | 141.3° | 60.0° |
| H47 | C31 | C32 | H48 | 21.0° | 60.0° |
| H47 | C31 | C32 | H49 | 98.5° | 179.9° |
| C33 | C32 | H48 | H49 | 119.3° | 120.0° |
| C32 | C33 | N8 | H50 | 120.2° | 119.9° |
| C32 | C33 | N8 | H51 | 120.2° | 120.0° |
| C32 | C33 | H50 | H51 | 119.5° | 120.0° |
| C32 | C33 | N8 | H52 | 180.0° | 179.9° |
| C32 | C33 | N8 | H53 | 60.0° | 60.0° |
| C32 | C33 | N8 | H54 | 60.0° | 60.0° |
| H48 | C32 | C33 | N8 | 14.6° | 60.0° |
| H48 | C32 | C33 | H50 | 134.7° | 180.0° |
| H48 | C32 | C33 | H51 | 105.6° | 60.0° |
| H49 | C32 | C33 | N8 | 105.0° | 60.0° |
| H49 | C32 | C33 | H50 | 15.2° | 60.0° |
| H49 | C32 | C33 | H51 | 134.9° | 180.0° |
| N8 | C33 | H50 | H51 | 119.5° | 120.0° |
| C33 | N8 | H52 | H53 | 120.0° | 120.1° |
| C33 | N8 | H52 | H54 | 120.0° | 120.0° |
| C33 | N8 | H53 | H54 | 120.0° | 120.0° |
| H50 | C33 | N8 | H52 | 59.9° | 60.0° |
| H50 | C33 | N8 | H53 | 179.9° | 180.0° |
| H50 | C33 | N8 | H54 | 60.2° | 59.9° |
| H51 | C33 | N8 | H52 | 59.8° | 60.1° |
| H51 | C33 | N8 | H53 | 60.2° | 60.0° |
| H51 | C33 | N8 | H54 | 179.8° | 180.0° |
| H52 | N8 | H53 | H54 | 120.0° | 120.0° |
| C34 | N9 | H55 | C29 | 180.0° | 179.7° |
| N9 | C34 | C35 | C36 | 122.3° | 119.6° |
| N9 | C34 | C35 | H56 | 119.7° | 120.1° |
| N9 | C34 | C36 | H56 | 120.2° | 121.0° |
| N9 | C34 | C35 | O7 | 86.6° | 67.2° |
| N9 | C34 | C36 | C37 | 140.0° | 65.0° |
| N9 | C34 | C36 | H57 | 19.8° | 54.9° |
| N9 | C34 | C36 | H58 | 99.7° | 175.0° |
| N9 | C34 | C35 | N13 | 93.5° | 112.7° |
| H55 | N9 | C34 | C35 | 40.7° | 47.4° |
| H55 | N9 | C34 | C36 | 80.6° | 72.0° |
| H55 | N9 | C34 | H56 | 159.8° | 167.2° |
| C35 | C34 | C36 | H56 | 117.9° | 120.1° |
| C34 | C35 | O7 | N13 | 179.9° | 179.9° |
| C35 | C34 | C36 | C37 | 98.1° | 176.1° |
| C35 | C34 | C36 | H57 | 141.6° | 63.9° |
| C35 | C34 | C36 | H58 | 22.1° | 56.1° |
| C34 | C35 | N13 | C40 | 180.0° | 177.7° |
| C34 | C35 | N13 | H68 | 0.1° | 2.1° |
| C35 | C34 | N9 | C29 | 139.3° | 132.8° |
| C36 | C34 | C35 | O7 | 35.8° | 52.5° |
| C34 | C36 | C37 | H57 | 120.2° | 120.0° |
| C34 | C36 | C37 | H58 | 120.2° | 120.0° |
| C34 | C36 | H57 | H58 | 119.3° | 120.0° |
| C34 | C36 | C37 | C38 | 109.4° | 180.0° |
| C34 | C36 | C37 | H59 | 130.3° | 60.0° |
| C34 | C36 | C37 | H60 | 10.8° | 60.0° |
| C36 | C34 | N9 | C29 | 99.4° | 107.8° |
| C36 | C34 | C35 | N13 | 144.2° | 127.6° |
| H56 | C34 | C35 | O7 | 153.7° | 172.8° |
| H56 | C34 | C36 | C37 | 19.8° | 56.0° |
| H56 | C34 | C36 | H57 | 100.4° | 176.0° |
| H56 | C34 | C36 | H58 | 140.0° | 64.0° |
| H56 | C34 | N9 | C29 | 20.2° | 13.1° |
| H56 | C34 | C35 | N13 | 26.3° | 7.3° |
| O7 | C35 | N13 | C40 | 0.0° | 2.2° |
| O7 | C35 | N13 | H68 | 180.0° | 178.0° |
| C37 | C36 | H57 | H58 | 119.3° | 120.0° |
| C36 | C37 | C38 | H59 | 120.2° | 120.0° |
| C36 | C37 | C38 | H60 | 120.3° | 120.0° |
| C36 | C37 | H59 | H60 | 119.3° | 120.0° |
| C36 | C37 | C38 | N10 | 154.1° | 180.0° |
| C36 | C37 | C38 | H61 | 34.0° | 60.0° |
| C36 | C37 | C38 | H62 | 85.8° | 60.0° |
| H57 | C36 | C37 | C38 | 10.8° | 60.0° |
| H57 | C36 | C37 | H59 | 109.4° | 180.0° |
| H57 | C36 | C37 | H60 | 131.0° | 60.0° |
| H58 | C36 | C37 | C38 | 130.3° | 60.0° |
| H58 | C36 | C37 | H59 | 10.1° | 60.0° |
| H58 | C36 | C37 | H60 | 109.4° | 180.0° |
| C38 | C37 | H59 | H60 | 119.3° | 120.0° |
| C37 | C38 | N10 | H61 | 120.1° | 120.0° |
| C37 | C38 | N10 | H62 | 120.1° | 120.0° |
| C37 | C38 | H61 | H62 | 119.8° | 120.1° |
| C37 | C38 | N10 | C39 | 174.4° | 180.0° |
| C37 | C38 | N10 | H63 | 5.6° | 0.1° |
| H59 | C37 | C38 | N10 | 85.6° | 60.0° |
| H59 | C37 | C38 | H61 | 154.2° | NaN° |
| H59 | C37 | C38 | H62 | 34.4° | 60.0° |
| H60 | C37 | C38 | N10 | 33.9° | 60.0° |
| H60 | C37 | C38 | H61 | 86.2° | 60.0° |
| H60 | C37 | C38 | H62 | 154.0° | 180.0° |
| N10 | C38 | H61 | H62 | 119.8° | 120.0° |
| C38 | N10 | C39 | H63 | 180.0° | 179.9° |
| C38 | N10 | C39 | N11 | 0.0° | 0.0° |
| C38 | N10 | C39 | N12 | 180.0° | 180.0° |
| H61 | C38 | N10 | C39 | 54.3° | 60.0° |
| H61 | C38 | N10 | H63 | 125.7° | 120.1° |
| H62 | C38 | N10 | C39 | 65.5° | 60.0° |
| H62 | C38 | N10 | H63 | 114.5° | 120.0° |
| N10 | C39 | N11 | N12 | 180.0° | 180.0° |
| N10 | C39 | N11 | H64 | 180.0° | 0.0° |
| N10 | C39 | N11 | H65 | 0.0° | 180.0° |
| N10 | C39 | N12 | H66 | 180.0° | 180.0° |
| N10 | C39 | N12 | H67 | 0.0° | 0.1° |
| H63 | N10 | C39 | N11 | 179.9° | 179.9° |
| H63 | N10 | C39 | N12 | 0.1° | 0.1° |
| C39 | N11 | H64 | H65 | 180.0° | 180.0° |
| N11 | C39 | N12 | H66 | 0.0° | 0.0° |
| N11 | C39 | N12 | H67 | 180.0° | 179.9° |
| N12 | C39 | N11 | H64 | 0.0° | 180.0° |
| N12 | C39 | N11 | H65 | 180.0° | 0.0° |
| C39 | N12 | H66 | H67 | 180.0° | 179.9° |
| C40 | N13 | H68 | C35 | 180.0° | 179.8° |
| N13 | C40 | C41 | C42 | 122.4° | 119.7° |
| N13 | C40 | C41 | H69 | 119.8° | 119.8° |
| N13 | C40 | C42 | H69 | 120.3° | 120.4° |
| N13 | C40 | C41 | O8 | 162.7° | 0.1° |
| N13 | C40 | C42 | C43 | 135.8° | 65.0° |
| N13 | C40 | C42 | H70 | 15.6° | 55.1° |
| N13 | C40 | C42 | H71 | 104.0° | 175.0° |
| N13 | C40 | C41 | N17 | 17.5° | 179.9° |
| H68 | N13 | C40 | C41 | 95.8° | 25.8° |
| H68 | N13 | C40 | C42 | 143.0° | 94.0° |
| H68 | N13 | C40 | H69 | 23.3° | 145.6° |
| C41 | C40 | C42 | H69 | 117.9° | 120.4° |
| C40 | C41 | O8 | N17 | 179.8° | 180.0° |
| C41 | C40 | C42 | C43 | 102.4° | 175.9° |
| C41 | C40 | C42 | H70 | 137.4° | 64.1° |
| C41 | C40 | C42 | H71 | 17.9° | 55.8° |
| C40 | C41 | N17 | C46 | 180.0° | 177.9° |
| C40 | C41 | N17 | H81 | 0.0° | 2.0° |
| C41 | C40 | N13 | C35 | 84.2° | 154.4° |
| C42 | C40 | C41 | O8 | 74.9° | 119.9° |
| C40 | C42 | C43 | H70 | 120.2° | 120.0° |
| C40 | C42 | C43 | H71 | 120.2° | 120.1° |
| C40 | C42 | H70 | H71 | 119.3° | 120.0° |
| C40 | C42 | C43 | C44 | 131.1° | 180.0° |
| C40 | C42 | C43 | H72 | 10.9° | 60.0° |
| C40 | C42 | C43 | H73 | 108.7° | 60.0° |
| C42 | C40 | N13 | C35 | 37.1° | 85.8° |
| C42 | C40 | C41 | N17 | 104.9° | 60.2° |
| H69 | C40 | C41 | O8 | 43.0° | 119.7° |
| H69 | C40 | C42 | C43 | 15.5° | 55.4° |
| H69 | C40 | C42 | H70 | 104.7° | 175.5° |
| H69 | C40 | C42 | H71 | 135.7° | 64.6° |
| H69 | C40 | N13 | C35 | 156.7° | 34.6° |
| H69 | C40 | C41 | N17 | 137.2° | 60.3° |
| O8 | C41 | N17 | C46 | 0.2° | 2.1° |
| O8 | C41 | N17 | H81 | 179.8° | 178.0° |
| C43 | C42 | H70 | H71 | 119.3° | 119.9° |
| C42 | C43 | C44 | H72 | 120.2° | 120.0° |
| C42 | C43 | C44 | H73 | 120.2° | 120.1° |
| C42 | C43 | H72 | H73 | 119.3° | 120.0° |
| C42 | C43 | C44 | N14 | 136.0° | 180.0° |
| C42 | C43 | C44 | H74 | 15.9° | 60.0° |
| C42 | C43 | C44 | H75 | 103.9° | 60.0° |
| H70 | C42 | C43 | C44 | 108.7° | 60.0° |
| H70 | C42 | C43 | H72 | 131.1° | 180.0° |
| H70 | C42 | C43 | H73 | 11.5° | 60.1° |
| H71 | C42 | C43 | C44 | 10.9° | 59.9° |
| H71 | C42 | C43 | H72 | 109.3° | 60.1° |
| H71 | C42 | C43 | H73 | 131.1° | 180.0° |
| C44 | C43 | H72 | H73 | 119.3° | 120.0° |
| C43 | C44 | N14 | H74 | 120.1° | 120.0° |
| C43 | C44 | N14 | H75 | 120.1° | 120.0° |
| C43 | C44 | H74 | H75 | 119.8° | 119.9° |
| C43 | C44 | N14 | C45 | 170.7° | 180.0° |
| C43 | C44 | N14 | H76 | 9.3° | 0.0° |
| H72 | C43 | C44 | N14 | 103.8° | 60.0° |
| H72 | C43 | C44 | H74 | 136.1° | 180.0° |
| H72 | C43 | C44 | H75 | 16.3° | 60.0° |
| H73 | C43 | C44 | N14 | 15.8° | 59.9° |
| H73 | C43 | C44 | H74 | 104.3° | 60.1° |
| H73 | C43 | C44 | H75 | 135.9° | 180.0° |
| N14 | C44 | H74 | H75 | 119.8° | 120.1° |
| C44 | N14 | C45 | H76 | 180.0° | 180.0° |
| C44 | N14 | C45 | N15 | 0.1° | 0.0° |
| C44 | N14 | C45 | N16 | 180.0° | 180.0° |
| H74 | C44 | N14 | C45 | 69.2° | 60.0° |
| H74 | C44 | N14 | H76 | 110.8° | 120.0° |
| H75 | C44 | N14 | C45 | 50.6° | 60.0° |
| H75 | C44 | N14 | H76 | 129.4° | 120.0° |
| N14 | C45 | N15 | N16 | 179.9° | 179.9° |
| N14 | C45 | N15 | H77 | 179.9° | 0.0° |
| N14 | C45 | N15 | H78 | 0.1° | 180.0° |
| N14 | C45 | N16 | H79 | 179.9° | 0.0° |
| N14 | C45 | N16 | H80 | 0.1° | 180.0° |
| H76 | N14 | C45 | N15 | 179.9° | 180.0° |
| H76 | N14 | C45 | N16 | 0.0° | 0.0° |
| C45 | N15 | H77 | H78 | 180.0° | 179.9° |
| N15 | C45 | N16 | H79 | 0.0° | 180.0° |
| N15 | C45 | N16 | H80 | 180.0° | 0.0° |
| N16 | C45 | N15 | H77 | 0.0° | 180.0° |
| N16 | C45 | N15 | H78 | 180.0° | 0.1° |
| C45 | N16 | H79 | H80 | 180.0° | 180.0° |
| C46 | N17 | H81 | C41 | 180.0° | 179.9° |
| N17 | C46 | C47 | C48 | 123.2° | 119.8° |
| N17 | C46 | C47 | H82 | 117.5° | 120.1° |
| N17 | C46 | C48 | H82 | 119.2° | 120.7° |
| N17 | C46 | C47 | O9 | 30.0° | 70.3° |
| N17 | C46 | C48 | C49 | 82.1° | 65.0° |
| N17 | C46 | C48 | H83 | 38.6° | 55.0° |
| N17 | C46 | C48 | H84 | 157.2° | 175.0° |
| N17 | C46 | C47 | N19 | 150.1° | 109.6° |
| H81 | N17 | C46 | C47 | 99.9° | 45.8° |
| H81 | N17 | C46 | C48 | 24.6° | 73.8° |
| H81 | N17 | C46 | H82 | 143.2° | 165.6° |
| C47 | C46 | C48 | H82 | 119.3° | 120.0° |
| C46 | C47 | O9 | N19 | 179.9° | 179.9° |
| C47 | C46 | C48 | C49 | 156.4° | 175.8° |
| C47 | C46 | C48 | H83 | 83.0° | 64.3° |
| C47 | C46 | C48 | H84 | 35.7° | 55.7° |
| C46 | C47 | N19 | C57 | 180.0° | 177.6° |
| C46 | C47 | N19 | H91 | 0.0° | 2.3° |
| C47 | C46 | N17 | C41 | 80.1° | 134.1° |
| C48 | C46 | C47 | O9 | 93.2° | 49.4° |
| C46 | C48 | C49 | H83 | 120.7° | 120.0° |
| C46 | C48 | C49 | H84 | 120.7° | 120.1° |
| C46 | C48 | H83 | H84 | 118.0° | 120.1° |
| C46 | C48 | C49 | C50 | 56.3° | 94.9° |
| C46 | C48 | C49 | C51 | 123.7° | 84.6° |
| C48 | C46 | N17 | C41 | 155.4° | 106.3° |
| C48 | C46 | C47 | N19 | 86.7° | 130.7° |
| H82 | C46 | C47 | O9 | 147.5° | 169.6° |
| H82 | C46 | C48 | C49 | 37.1° | 55.8° |
| H82 | C46 | C48 | H83 | 157.8° | 175.7° |
| H82 | C46 | C48 | H84 | 83.6° | 64.3° |
| H82 | C46 | N17 | C41 | 36.8° | 14.3° |
| H82 | C46 | C47 | N19 | 32.5° | 10.5° |
| O9 | C47 | N19 | C57 | 0.1° | 2.3° |
| O9 | C47 | N19 | H91 | 180.0° | 177.8° |
| C49 | C48 | H83 | H84 | 117.9° | 119.9° |
| C48 | C49 | C50 | C51 | 180.0° | 179.6° |
| C48 | C49 | C50 | N18 | 180.0° | 179.9° |
| C48 | C49 | C50 | H85 | 0.0° | 0.1° |
| C48 | C49 | C51 | C52 | 180.0° | 180.0° |
| C48 | C49 | C51 | C53 | 0.1° | 0.2° |
| H83 | C48 | C49 | C50 | 177.0° | 145.1° |
| H83 | C48 | C49 | C51 | 3.0° | 35.3° |
| H84 | C48 | C49 | C50 | 64.4° | 25.1° |
| H84 | C48 | C49 | C51 | 115.6° | 155.3° |
| C49 | C50 | N18 | H85 | 180.0° | 179.9° |
| C50 | C49 | C51 | C52 | 0.1° | 0.3° |
| C50 | C49 | C51 | C53 | 179.9° | 179.8° |
| C49 | C50 | N18 | C52 | 0.0° | 0.2° |
| C49 | C50 | N18 | H86 | 180.0° | 179.9° |
| C51 | C49 | C50 | N18 | 0.0° | 0.3° |
| C51 | C49 | C50 | H85 | 180.0° | 179.8° |
| C49 | C51 | C52 | C53 | 179.9° | 179.9° |
| C49 | C51 | C52 | N18 | 0.1° | 0.2° |
| C49 | C51 | C52 | C54 | 180.0° | 180.0° |
| C49 | C51 | C53 | C55 | 180.0° | 179.9° |
| C49 | C51 | C53 | H87 | 0.0° | 0.2° |
| C50 | N18 | C52 | C51 | 0.1° | 0.0° |
| C50 | N18 | C52 | H86 | 180.0° | 179.9° |
| C50 | N18 | C52 | C54 | 180.0° | 179.8° |
| H85 | C50 | N18 | C52 | 180.0° | 179.9° |
| H85 | C50 | N18 | H86 | 0.0° | 0.0° |
| C51 | C52 | N18 | C54 | 180.0° | 179.8° |
| C51 | C52 | N18 | H86 | 179.9° | 179.8° |
| C52 | C51 | C53 | C55 | 0.1° | 0.0° |
| C52 | C51 | C53 | H87 | 179.9° | 180.0° |
| C51 | C52 | C54 | C56 | 0.0° | 0.0° |
| C51 | C52 | C54 | H88 | 180.0° | 180.0° |
| C53 | C51 | C52 | N18 | 179.9° | 179.9° |
| C53 | C51 | C52 | C54 | 0.1° | 0.1° |
| C51 | C53 | C55 | H87 | 180.0° | 179.9° |
| C51 | C53 | C55 | C56 | 0.1° | 0.1° |
| C51 | C53 | C55 | H89 | 179.9° | 179.9° |
| N18 | C52 | C54 | C56 | 180.0° | 179.7° |
| N18 | C52 | C54 | H88 | 0.0° | 0.3° |
| H86 | N18 | C52 | C54 | 0.0° | 0.1° |
| C52 | C54 | C56 | H88 | 180.0° | 180.0° |
| C52 | C54 | C56 | C55 | 0.0° | 0.1° |
| C52 | C54 | C56 | H90 | 179.9° | 180.0° |
| C53 | C55 | C56 | C54 | 0.0° | 0.1° |
| C53 | C55 | C56 | H89 | 180.0° | 179.9° |
| C53 | C55 | C56 | H90 | 180.0° | 180.0° |
| H87 | C53 | C55 | C56 | 179.9° | 179.9° |
| H87 | C53 | C55 | H89 | 0.1° | 0.0° |
| C54 | C56 | C55 | H90 | 180.0° | 179.9° |
| C54 | C56 | C55 | H89 | 180.0° | 180.0° |
| H88 | C54 | C56 | C55 | 180.0° | 179.9° |
| H88 | C54 | C56 | H90 | 0.1° | 0.0° |
| H89 | C55 | C56 | H90 | 0.0° | 0.1° |
| C57 | N19 | H91 | C47 | 180.0° | 179.9° |
| N19 | C57 | C58 | C59 | 124.0° | 119.7° |
| N19 | C57 | C58 | H92 | 117.3° | 120.1° |
| N19 | C57 | C59 | H92 | 118.0° | 120.6° |
| N19 | C57 | C58 | O10 | 33.7° | 1.5° |
| N19 | C57 | C59 | C60 | 141.7° | 65.0° |
| N19 | C57 | C59 | H93 | 21.5° | 55.0° |
| N19 | C57 | C59 | H94 | 98.0° | 175.0° |
| N19 | C57 | C58 | N21 | 146.3° | 178.2° |
| H91 | N19 | C57 | C58 | 43.6° | 20.9° |
| H91 | N19 | C57 | C59 | 82.2° | 98.6° |
| H91 | N19 | C57 | H92 | 160.3° | 140.9° |
| C58 | C57 | C59 | H92 | 118.6° | 120.2° |
| C57 | C58 | O10 | N21 | 180.0° | 179.7° |
| C58 | C57 | C59 | C60 | 94.9° | 175.7° |
| C58 | C57 | C59 | H93 | 144.9° | 64.2° |
| C58 | C57 | C59 | H94 | 25.3° | 55.7° |
| C57 | C58 | N21 | C63 | 179.9° | 174.2° |
| C57 | C58 | N21 | H104 | 0.0° | 5.6° |
| C58 | C57 | N19 | C47 | 136.4° | 159.2° |
| C59 | C57 | C58 | O10 | 157.7° | 118.2° |
| C57 | C59 | C60 | H93 | 120.2° | 120.0° |
| C57 | C59 | C60 | H94 | 120.2° | 120.0° |
| C57 | C59 | H93 | H94 | 119.3° | 120.0° |
| C57 | C59 | C60 | C61 | 109.4° | 180.0° |
| C57 | C59 | C60 | H95 | 130.3° | 60.0° |
| C57 | C59 | C60 | H96 | 10.8° | 60.0° |
| C59 | C57 | N19 | C47 | 97.8° | 81.3° |
| C59 | C57 | C58 | N21 | 22.3° | 62.1° |
| H92 | C57 | C58 | O10 | 83.6° | 121.6° |
| H92 | C57 | C59 | C60 | 23.7° | 55.5° |
| H92 | C57 | C59 | H93 | 96.5° | 175.6° |
| H92 | C57 | C59 | H94 | 144.0° | 64.5° |
| H92 | C57 | N19 | C47 | 19.7° | 39.2° |
| H92 | C57 | C58 | N21 | 96.4° | 58.2° |
| O10 | C58 | N21 | C63 | 0.1° | 6.1° |
| O10 | C58 | N21 | H104 | 179.9° | 174.1° |
| C60 | C59 | H93 | H94 | 119.3° | 120.1° |
| C59 | C60 | C61 | H95 | 120.2° | 120.0° |
| C59 | C60 | C61 | H96 | 120.2° | 120.0° |
| C59 | C60 | H95 | H96 | 119.3° | 120.1° |
| C59 | C60 | C61 | C62 | 91.8° | 180.0° |
| C59 | C60 | C61 | H97 | 28.5° | 60.0° |
| C59 | C60 | C61 | H98 | 148.0° | 60.0° |
| H93 | C59 | C60 | C61 | 10.8° | 60.0° |
| H93 | C59 | C60 | H95 | 109.5° | 180.0° |
| H93 | C59 | C60 | H96 | 131.0° | 60.0° |
| H94 | C59 | C60 | C61 | 130.3° | 60.0° |
| H94 | C59 | C60 | H95 | 10.1° | 60.0° |
| H94 | C59 | C60 | H96 | 109.4° | 180.0° |
| C61 | C60 | H95 | H96 | 119.3° | 120.0° |
| C60 | C61 | C62 | H97 | 120.3° | 120.0° |
| C60 | C61 | C62 | H98 | 120.2° | 120.0° |
| C60 | C61 | H97 | H98 | 119.3° | 120.0° |
| C60 | C61 | C62 | N20 | 105.2° | 180.0° |
| C60 | C61 | C62 | H99 | 15.0° | 60.0° |
| C60 | C61 | C62 | H100 | 134.6° | 60.0° |
| H95 | C60 | C61 | C62 | 148.0° | 60.0° |
| H95 | C60 | C61 | H97 | 91.8° | 180.0° |
| H95 | C60 | C61 | H98 | 27.7° | 60.0° |
| H96 | C60 | C61 | C62 | 28.4° | 59.9° |
| H96 | C60 | C61 | H97 | 148.7° | 60.0° |
| H96 | C60 | C61 | H98 | 91.8° | 180.0° |
| C62 | C61 | H97 | H98 | 119.3° | 120.0° |
| C61 | C62 | N20 | H99 | 120.2° | 119.9° |
| C61 | C62 | N20 | H100 | 120.1° | 120.1° |
| C61 | C62 | H99 | H100 | 119.5° | 120.1° |
| C61 | C62 | N20 | H101 | 180.0° | 180.0° |
| C61 | C62 | N20 | H102 | 60.0° | 60.1° |
| C61 | C62 | N20 | H103 | 60.0° | 60.0° |
| H97 | C61 | C62 | N20 | 134.5° | 60.1° |
| H97 | C61 | C62 | H99 | 105.3° | 180.0° |
| H97 | C61 | C62 | H100 | 14.4° | 60.0° |
| H98 | C61 | C62 | N20 | 15.0° | 59.9° |
| H98 | C61 | C62 | H99 | 135.2° | 60.0° |
| H98 | C61 | C62 | H100 | 105.1° | 180.0° |
| N20 | C62 | H99 | H100 | 119.6° | 120.0° |
| C62 | N20 | H101 | H102 | 120.0° | 120.0° |
| C62 | N20 | H101 | H103 | 120.0° | 120.0° |
| C62 | N20 | H102 | H103 | 120.0° | 120.1° |
| H99 | C62 | N20 | H101 | 59.8° | 60.0° |
| H99 | C62 | N20 | H102 | 179.8° | 180.0° |
| H99 | C62 | N20 | H103 | 60.2° | 59.9° |
| H100 | C62 | N20 | H101 | 59.9° | 59.9° |
| H100 | C62 | N20 | H102 | 60.1° | 60.0° |
| H100 | C62 | N20 | H103 | 179.9° | 179.9° |
| H101 | N20 | H102 | H103 | 120.0° | 120.0° |
| C63 | N21 | H104 | C58 | 180.0° | 179.8° |
| N21 | C63 | C64 | C65 | 124.1° | 119.6° |
| N21 | C63 | C64 | H105 | 117.4° | 119.9° |
| N21 | C63 | C65 | H105 | 118.0° | 121.3° |
| N21 | C63 | C64 | O11 | 0.0° | 46.6° |
| N21 | C63 | C65 | C66 | 135.6° | 65.0° |
| N21 | C63 | C65 | H106 | 15.4° | 55.0° |
| N21 | C63 | C65 | H107 | 104.1° | 175.0° |
| N21 | C63 | C64 | N23 | 180.0° | 133.4° |
| H104 | N21 | C63 | C64 | 129.4° | 61.3° |
| H104 | N21 | C63 | C65 | 3.6° | 58.2° |
| H104 | N21 | C63 | H105 | 113.8° | 179.2° |
| C64 | C63 | C65 | H105 | 118.6° | 120.3° |
| C63 | C64 | O11 | N23 | 179.9° | 180.0° |
| C64 | C63 | C65 | C66 | 100.9° | 176.6° |
| C64 | C63 | C65 | H106 | 138.8° | 63.5° |
| C64 | C63 | C65 | H107 | 19.3° | 56.6° |
| C63 | C64 | N23 | C69 | 180.0° | 172.3° |
| C63 | C64 | N23 | H117 | 0.0° | 7.7° |
| C64 | C63 | N21 | C58 | 50.6° | 118.5° |
| C65 | C63 | C64 | O11 | 124.1° | 73.0° |
| C63 | C65 | C66 | H106 | 120.3° | 120.0° |
| C63 | C65 | C66 | H107 | 120.2° | 120.0° |
| C63 | C65 | H106 | H107 | 119.3° | 120.0° |
| C63 | C65 | C66 | C67 | 106.3° | 180.0° |
| C63 | C65 | C66 | H108 | 133.5° | 60.0° |
| C63 | C65 | C66 | H109 | 13.9° | 60.0° |
| C65 | C63 | N21 | C58 | 176.4° | 122.0° |
| C65 | C63 | C64 | N23 | 56.0° | 107.0° |
| H105 | C63 | C64 | O11 | 117.3° | 166.5° |
| H105 | C63 | C65 | C66 | 17.6° | 56.3° |
| H105 | C63 | C65 | H106 | 102.6° | 176.2° |
| H105 | C63 | C65 | H107 | 137.9° | 63.7° |
| H105 | C63 | N21 | C58 | 66.2° | 1.0° |
| H105 | C63 | C64 | N23 | 62.6° | 13.5° |
| O11 | C64 | N23 | C69 | 0.1° | 7.7° |
| O11 | C64 | N23 | H117 | 179.9° | 172.3° |
| C66 | C65 | H106 | H107 | 119.3° | 120.0° |
| C65 | C66 | C67 | H108 | 120.2° | 120.1° |
| C65 | C66 | C67 | H109 | 120.2° | 120.0° |
| C65 | C66 | H108 | H109 | 119.3° | 120.0° |
| C65 | C66 | C67 | C68 | 173.1° | 180.0° |
| C65 | C66 | C67 | H110 | 66.7° | 59.9° |
| C65 | C66 | C67 | H111 | 52.8° | 60.0° |
| H106 | C65 | C66 | C67 | 13.9° | 60.0° |
| H106 | C65 | C66 | H108 | 106.3° | 180.0° |
| H106 | C65 | C66 | H109 | 134.2° | 60.0° |
| H107 | C65 | C66 | C67 | 133.4° | 60.0° |
| H107 | C65 | C66 | H108 | 13.2° | 60.0° |
| H107 | C65 | C66 | H109 | 106.3° | 180.0° |
| C67 | C66 | H108 | H109 | 119.3° | 119.9° |
| C66 | C67 | C68 | H110 | 120.3° | 120.0° |
| C66 | C67 | C68 | H111 | 120.2° | 120.0° |
| C66 | C67 | H110 | H111 | 119.3° | 119.9° |
| C66 | C67 | C68 | N22 | 132.6° | 180.0° |
| C66 | C67 | C68 | H112 | 107.2° | 60.0° |
| C66 | C67 | C68 | H113 | 12.5° | 60.0° |
| H108 | C66 | C67 | C68 | 52.9° | 59.9° |
| H108 | C66 | C67 | H110 | 173.1° | 180.0° |
| H108 | C66 | C67 | H111 | 67.4° | 60.1° |
| H109 | C66 | C67 | C68 | 66.7° | 60.0° |
| H109 | C66 | C67 | H110 | 53.6° | 60.1° |
| H109 | C66 | C67 | H111 | 173.1° | 180.0° |
| C68 | C67 | H110 | H111 | 119.3° | 120.0° |
| C67 | C68 | N22 | H112 | 120.2° | 120.0° |
| C67 | C68 | N22 | H113 | 120.2° | 120.0° |
| C67 | C68 | H112 | H113 | 119.5° | 119.9° |
| C67 | C68 | N22 | H114 | 180.0° | 60.0° |
| C67 | C68 | N22 | H115 | 60.0° | 60.0° |
| C67 | C68 | N22 | H116 | 60.0° | 180.0° |
| H110 | C67 | C68 | N22 | 12.4° | 60.0° |
| H110 | C67 | C68 | H112 | 132.6° | 180.0° |
| H110 | C67 | C68 | H113 | 107.7° | 60.1° |
| H111 | C67 | C68 | N22 | 107.1° | 60.0° |
| H111 | C67 | C68 | H112 | 13.0° | 60.0° |
| H111 | C67 | C68 | H113 | 132.7° | 180.0° |
| N22 | C68 | H112 | H113 | 119.5° | 120.1° |
| C68 | N22 | H114 | H115 | 120.0° | 120.0° |
| C68 | N22 | H114 | H116 | 120.0° | 120.0° |
| C68 | N22 | H115 | H116 | 120.0° | 120.0° |
| H112 | C68 | N22 | H114 | 59.8° | 179.9° |
| H112 | C68 | N22 | H115 | 179.8° | 60.0° |
| H112 | C68 | N22 | H116 | 60.2° | 60.0° |
| H113 | C68 | N22 | H114 | 59.9° | 60.0° |
| H113 | C68 | N22 | H115 | 60.1° | 180.0° |
| H113 | C68 | N22 | H116 | 179.9° | 60.0° |
| H114 | N22 | H115 | H116 | 120.0° | 120.0° |
| C69 | N23 | H117 | C64 | 180.0° | 180.0° |
| N23 | C69 | C70 | C71 | 121.9° | 120.3° |
| N23 | C69 | C70 | H118 | 118.7° | 120.0° |
| N23 | C69 | C71 | H118 | 118.9° | 120.1° |
| N23 | C69 | C70 | O12 | 54.2° | 2.1° |
| N23 | C69 | C71 | H119 | 180.0° | 60.0° |
| N23 | C69 | C71 | H120 | 60.0° | 180.0° |
| N23 | C69 | C71 | H121 | 60.0° | 60.0° |
| N23 | C69 | C70 | N24 | 125.7° | 178.1° |
| H117 | N23 | C69 | C70 | 139.9° | 32.4° |
| H117 | N23 | C69 | C71 | 16.4° | 87.8° |
| H117 | N23 | C69 | H118 | 101.9° | 152.2° |
| C70 | C69 | C71 | H118 | 119.4° | 119.5° |
| C69 | C70 | O12 | N24 | 179.9° | 179.8° |
| C70 | C69 | C71 | H119 | 58.2° | 60.4° |
| C70 | C69 | C71 | H120 | 178.3° | 59.6° |
| C70 | C69 | C71 | H121 | 61.8° | 179.6° |
| C69 | C70 | N24 | C72 | 180.0° | 177.4° |
| C69 | C70 | N24 | H122 | 0.0° | 2.5° |
| C70 | C69 | N23 | C64 | 40.0° | 147.5° |
| C71 | C69 | C70 | O12 | 67.7° | 118.2° |
| C69 | C71 | H119 | H120 | 120.0° | 120.0° |
| C69 | C71 | H119 | H121 | 120.0° | 120.0° |
| C69 | C71 | H120 | H121 | 120.0° | 120.0° |
| C71 | C69 | N23 | C64 | 163.6° | 92.2° |
| C71 | C69 | C70 | N24 | 112.4° | 61.6° |
| H118 | C69 | C70 | O12 | 172.9° | 122.1° |
| H118 | C69 | C71 | H119 | 61.1° | 179.9° |
| H118 | C69 | C71 | H120 | 58.9° | 59.8° |
| H118 | C69 | C71 | H121 | 178.9° | 60.1° |
| H118 | C69 | N23 | C64 | 78.1° | 27.8° |
| H118 | C69 | C70 | N24 | 7.0° | 58.1° |
| O12 | C70 | N24 | C72 | 0.1° | 2.8° |
| O12 | C70 | N24 | H122 | 179.9° | 177.3° |
| H119 | C71 | H120 | H121 | 120.0° | 120.0° |
| C72 | N24 | H122 | C70 | 180.0° | 179.8° |
| N24 | C72 | C73 | C74 | 124.0° | 118.4° |
| N24 | C72 | C73 | H123 | 117.4° | 120.3° |
| N24 | C72 | C74 | H123 | 118.0° | 121.0° |
| N24 | C72 | C73 | O13 | 87.9° | 8.1° |
| N24 | C72 | C74 | C75 | 168.3° | 65.0° |
| N24 | C72 | C74 | H124 | 48.1° | 55.0° |
| N24 | C72 | C74 | H125 | 71.4° | 174.9° |
| N24 | C72 | C73 | N26 | 92.1° | 171.8° |
| H122 | N24 | C72 | C73 | 31.6° | 35.0° |
| H122 | N24 | C72 | C74 | 94.2° | 84.0° |
| H122 | N24 | C72 | H123 | 148.4° | 155.1° |
| C73 | C72 | C74 | H123 | 118.6° | 121.2° |
| C72 | C73 | O13 | N26 | 180.0° | 179.9° |
| C73 | C72 | C74 | C75 | 68.3° | 177.2° |
| C73 | C72 | C74 | H124 | 171.4° | 62.8° |
| C73 | C72 | C74 | H125 | 51.9° | 57.1° |
| C72 | C73 | N26 | C78 | 172.2° | 171.6° |
| C72 | C73 | N26 | C81 | 9.6° | 8.2° |
| C73 | C72 | N24 | C70 | 148.3° | 145.2° |
| C74 | C72 | C73 | O13 | 36.1° | 110.3° |
| C72 | C74 | C75 | H124 | 120.2° | 120.0° |
| C72 | C74 | C75 | H125 | 120.3° | 120.1° |
| C72 | C74 | H124 | H125 | 119.3° | 120.0° |
| C72 | C74 | C75 | C76 | 91.0° | 180.0° |
| C72 | C74 | C75 | H126 | 29.2° | 60.0° |
| C72 | C74 | C75 | H127 | 148.8° | 60.0° |
| C74 | C72 | N24 | C70 | 85.8° | 95.8° |
| C74 | C72 | C73 | N26 | 143.9° | 69.8° |
| H123 | C72 | C73 | O13 | 154.8° | 128.4° |
| H123 | C72 | C74 | C75 | 50.3° | 56.0° |
| H123 | C72 | C74 | H124 | 69.9° | 175.9° |
| H123 | C72 | C74 | H125 | 170.5° | 64.1° |
| H123 | C72 | N24 | C70 | 31.6° | 25.1° |
| H123 | C72 | C73 | N26 | 25.3° | 51.5° |
| O13 | C73 | N26 | C78 | 7.8° | 8.5° |
| O13 | C73 | N26 | C81 | 170.3° | 171.7° |
| C75 | C74 | H124 | H125 | 119.3° | 120.0° |
| C74 | C75 | C76 | H126 | 120.2° | 119.9° |
| C74 | C75 | C76 | H127 | 120.2° | 120.0° |
| C74 | C75 | H126 | H127 | 119.3° | 120.0° |
| C74 | C75 | C76 | C77 | 177.5° | 180.0° |
| C74 | C75 | C76 | H128 | 57.3° | 60.0° |
| C74 | C75 | C76 | H129 | 62.3° | 59.9° |
| H124 | C74 | C75 | C76 | 148.8° | 60.0° |
| H124 | C74 | C75 | H126 | 91.0° | 180.0° |
| H124 | C74 | C75 | H127 | 28.6° | 60.0° |
| H125 | C74 | C75 | C76 | 29.3° | 59.9° |
| H125 | C74 | C75 | H126 | 149.5° | 60.1° |
| H125 | C74 | C75 | H127 | 91.0° | 179.9° |
| C76 | C75 | H126 | H127 | 119.3° | 120.0° |
| C75 | C76 | C77 | H128 | 120.2° | 120.0° |
| C75 | C76 | C77 | H129 | 120.2° | 120.0° |
| C75 | C76 | H128 | H129 | 119.3° | 120.0° |
| C75 | C76 | C77 | N25 | 149.6° | 180.0° |
| C75 | C76 | C77 | H130 | 90.2° | 60.0° |
| C75 | C76 | C77 | H131 | 29.5° | 60.0° |
| H126 | C75 | C76 | C77 | 62.3° | 60.1° |
| H126 | C75 | C76 | H128 | 177.5° | 180.0° |
| H126 | C75 | C76 | H129 | 58.0° | 60.0° |
| H127 | C75 | C76 | C77 | 57.3° | 60.0° |
| H127 | C75 | C76 | H128 | 62.9° | 60.0° |
| H127 | C75 | C76 | H129 | 177.5° | 180.0° |
| C77 | C76 | H128 | H129 | 119.3° | 120.0° |
| C76 | C77 | N25 | H130 | 120.2° | 120.0° |
| C76 | C77 | N25 | H131 | 120.1° | 120.0° |
| C76 | C77 | H130 | H131 | 119.5° | 120.0° |
| C76 | C77 | N25 | H132 | 180.0° | 60.0° |
| C76 | C77 | N25 | H133 | 60.0° | 60.0° |
| C76 | C77 | N25 | H134 | 60.0° | 180.0° |
| H128 | C76 | C77 | N25 | 29.4° | 60.0° |
| H128 | C76 | C77 | H130 | 149.6° | 180.0° |
| H128 | C76 | C77 | H131 | 90.7° | 60.0° |
| H129 | C76 | C77 | N25 | 90.1° | 60.0° |
| H129 | C76 | C77 | H130 | 30.0° | 60.0° |
| H129 | C76 | C77 | H131 | 149.7° | 180.0° |
| N25 | C77 | H130 | H131 | 119.5° | 120.0° |
| C77 | N25 | H132 | H133 | 120.0° | 120.0° |
| C77 | N25 | H132 | H134 | 120.0° | 120.0° |
| C77 | N25 | H133 | H134 | 120.0° | 120.0° |
| H130 | C77 | N25 | H132 | 59.8° | 180.0° |
| H130 | C77 | N25 | H133 | 179.8° | 60.0° |
| H130 | C77 | N25 | H134 | 60.2° | 60.0° |
| H131 | C77 | N25 | H132 | 59.8° | 60.0° |
| H131 | C77 | N25 | H133 | 60.2° | 180.0° |
| H131 | C77 | N25 | H134 | 179.9° | 60.0° |
| H132 | N25 | H133 | H134 | 120.0° | 120.0° |
| C78 | N26 | C81 | C73 | 178.3° | 179.9° |
| N26 | C78 | C79 | C82 | 124.4° | 119.2° |
| N26 | C78 | C79 | H135 | 114.2° | 119.0° |
| N26 | C78 | C82 | H135 | 122.3° | 122.0° |
| N26 | C78 | C79 | C80 | 32.8° | 16.0° |
| N26 | C78 | C79 | H136 | 86.6° | 102.7° |
| N26 | C78 | C79 | H137 | 152.1° | 135.0° |
| C78 | N26 | C81 | C80 | 4.5° | 31.3° |
| C78 | N26 | C81 | H140 | 123.5° | 87.5° |
| C78 | N26 | C81 | H141 | 114.5° | 150.2° |
| N26 | C78 | C82 | O14 | 62.6° | 0.9° |
| N26 | C78 | C82 | N27 | 118.8° | 179.0° |
| C81 | N26 | C78 | C79 | 17.6° | 29.6° |
| C81 | N26 | C78 | C82 | 106.8° | 89.3° |
| C81 | N26 | C78 | H135 | 131.4° | 148.5° |
| N26 | C81 | C80 | C79 | 25.1° | 20.3° |
| N26 | C81 | C80 | H140 | 119.0° | 118.9° |
| N26 | C81 | C80 | H141 | 119.0° | 119.7° |
| N26 | C81 | C80 | H138 | 144.3° | 98.0° |
| N26 | C81 | C80 | H139 | 94.0° | 139.5° |
| N26 | C81 | H140 | H141 | 122.8° | 122.6° |
| C79 | C78 | C82 | H135 | 121.5° | 121.4° |
| C78 | C79 | C80 | H136 | 119.3° | 118.7° |
| C78 | C79 | C80 | H137 | 119.3° | 119.3° |
| C78 | C79 | H136 | H137 | 122.0° | 122.1° |
| C78 | C79 | C80 | C81 | 37.0° | 2.6° |
| C78 | C79 | C80 | H138 | 156.2° | 115.5° |
| C78 | C79 | C80 | H139 | 82.1° | 121.6° |
| C79 | C78 | C82 | O14 | 53.6° | 115.7° |
| C79 | C78 | N26 | C73 | 164.0° | 150.3° |
| C79 | C78 | C82 | N27 | 125.1° | 64.4° |
| C82 | C78 | C79 | C80 | 91.6° | 103.2° |
| C82 | C78 | C79 | H136 | 149.1° | 138.1° |
| C82 | C78 | C79 | H137 | 27.7° | 15.8° |
| C78 | C82 | O14 | N27 | 178.6° | 179.9° |
| C78 | C82 | N27 | C83 | 171.4° | 172.5° |
| C78 | C82 | N27 | C87 | 13.8° | 7.6° |
| C82 | C78 | N26 | C73 | 71.5° | 90.8° |
| H135 | C78 | C79 | C80 | 147.0° | 135.0° |
| H135 | C78 | C79 | H136 | 27.7° | 16.3° |
| H135 | C78 | C79 | H137 | 93.7° | 105.9° |
| H135 | C78 | C82 | O14 | 175.1° | 122.8° |
| H135 | C78 | N26 | C73 | 50.3° | 31.4° |
| H135 | C78 | C82 | N27 | 3.5° | 57.1° |
| C80 | C79 | H136 | H137 | 122.1° | 121.7° |
| C79 | C80 | C81 | H138 | 119.1° | 118.3° |
| C79 | C80 | C81 | H139 | 119.1° | 119.2° |
| C79 | C80 | H138 | H139 | 122.5° | 122.6° |
| C79 | C80 | C81 | H140 | 144.2° | 98.6° |
| C79 | C80 | C81 | H141 | 93.9° | 140.0° |
| H136 | C79 | C80 | C81 | 82.3° | 121.2° |
| H136 | C79 | C80 | H138 | 36.8° | 3.1° |
| H136 | C79 | C80 | H139 | 158.6° | 119.7° |
| H137 | C79 | C80 | C81 | 156.3° | 116.7° |
| H137 | C79 | C80 | H138 | 84.6° | 125.2° |
| H137 | C79 | C80 | H139 | 37.2° | 2.4° |
| C81 | C80 | H138 | H139 | 122.5° | 122.2° |
| C80 | C81 | H140 | H141 | 122.8° | 121.0° |
| C80 | C81 | N26 | C73 | 173.8° | 148.6° |
| H138 | C80 | C81 | H140 | 96.7° | 143.1° |
| H138 | C80 | C81 | H141 | 25.2° | 21.7° |
| H139 | C80 | C81 | H140 | 25.0° | 20.6° |
| H139 | C80 | C81 | H141 | 147.0° | 100.8° |
| H140 | C81 | N26 | C73 | 54.8° | 92.6° |
| H141 | C81 | N26 | C73 | 67.2° | 29.7° |
| O14 | C82 | N27 | C83 | 7.3° | 7.6° |
| O14 | C82 | N27 | C87 | 167.6° | 172.3° |
| C83 | N27 | C87 | C82 | 175.2° | 180.0° |
| N27 | C83 | C84 | C85 | 118.3° | 116.2° |
| N27 | C83 | C84 | H142 | 122.2° | 122.5° |
| N27 | C83 | C85 | H142 | 113.3° | 119.2° |
| N27 | C83 | C84 | O15 | 149.1° | 50.4° |
| N27 | C83 | C85 | C86 | 26.4° | 22.9° |
| N27 | C83 | C85 | H143 | 145.8° | 141.8° |
| N27 | C83 | C85 | H144 | 93.1° | 95.9° |
| C83 | N27 | C87 | C86 | 11.2° | 24.2° |
| C83 | N27 | C87 | H147 | 107.7° | 143.4° |
| C83 | N27 | C87 | H148 | 130.0° | 95.0° |
| N27 | C83 | C84 | N1 | 22.0° | 130.1° |
| C87 | N27 | C83 | C84 | 116.2° | 88.3° |
| C87 | N27 | C83 | C85 | 9.4° | 29.6° |
| C87 | N27 | C83 | H142 | 122.1° | 148.7° |
| N27 | C87 | C86 | C85 | 27.2° | 9.2° |
| N27 | C87 | C86 | H147 | 118.9° | 119.4° |
| N27 | C87 | C86 | H148 | 118.8° | 119.4° |
| N27 | C87 | C86 | H145 | 92.0° | 128.4° |
| N27 | C87 | C86 | H146 | 146.4° | 109.8° |
| N27 | C87 | H147 | H148 | 123.2° | 121.5° |
| C84 | C83 | C85 | H142 | 119.4° | 121.8° |
| C83 | C84 | O15 | N1 | 170.3° | 179.5° |
| C84 | C83 | C85 | C86 | 101.0° | 96.1° |
| C84 | C83 | C85 | H143 | 18.4° | 22.9° |
| C84 | C83 | C85 | H144 | 139.6° | 145.2° |
| C84 | C83 | N27 | C82 | 59.0° | 91.6° |
| C85 | C83 | C84 | O15 | 92.6° | 65.9° |
| C83 | C85 | C86 | H143 | 119.5° | 118.7° |
| C83 | C85 | C86 | H144 | 119.4° | 118.6° |
| C83 | C85 | H143 | H144 | 121.6° | 122.0° |
| C83 | C85 | C86 | C87 | 34.4° | 8.3° |
| C83 | C85 | C86 | H145 | 84.8° | 111.0° |
| C83 | C85 | C86 | H146 | 153.6° | 127.3° |
| C85 | C83 | C84 | N1 | 96.3° | 113.7° |
| C85 | C83 | N27 | C82 | 175.3° | 150.5° |
| H142 | C83 | C84 | O15 | 26.9° | 172.9° |
| H142 | C83 | C85 | C86 | 139.6° | 142.1° |
| H142 | C83 | C85 | H143 | 100.9° | 99.0° |
| H142 | C83 | C85 | H144 | 20.2° | 23.3° |
| H142 | C83 | C84 | N1 | 144.2° | 7.6° |
| H142 | C83 | N27 | C82 | 62.6° | 31.3° |
| C86 | C85 | H143 | H144 | 121.7° | 122.6° |
| C85 | C86 | C87 | H145 | 119.2° | 119.2° |
| C85 | C86 | C87 | H146 | 119.2° | 119.0° |
| C85 | C86 | H145 | H146 | 122.3° | 121.5° |
| C85 | C86 | C87 | H147 | 91.7° | 128.7° |
| C85 | C86 | C87 | H148 | 146.1° | 110.2° |
| H143 | C85 | C86 | C87 | 153.9° | 126.9° |
| H143 | C85 | C86 | H145 | 34.7° | 7.6° |
| H143 | C85 | C86 | H146 | 86.9° | 114.0° |
| H144 | C85 | C86 | C87 | 85.0° | 110.3° |
| H144 | C85 | C86 | H145 | 155.8° | 130.4° |
| H144 | C85 | C86 | H146 | 34.2° | 8.7° |
| C87 | C86 | H145 | H146 | 122.3° | 121.7° |
| C86 | C87 | H147 | H148 | 123.3° | 121.0° |
| C86 | C87 | N27 | C82 | 164.0° | 155.8° |
| H145 | C86 | C87 | H147 | 149.1° | 112.2° |
| H145 | C86 | C87 | H148 | 26.9° | 9.0° |
| H146 | C86 | C87 | H147 | 27.5° | 9.6° |
| H146 | C86 | C87 | H148 | 94.7° | 130.8° |
| H147 | C87 | N27 | C82 | 77.1° | 36.6° |
| H148 | C87 | N27 | C82 | 45.2° | 84.9° |
