PRD_000966
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.48Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C7 | sing | 1.46Å | 1.44Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.56Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | O2 | doub | 1.21Å | 1.23Å | |
| C9 | O3 | sing | 1.43Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| O3 | H16 | sing | 0.97Å | 0.95Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | C11 | sing | 1.46Å | 1.46Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | O4 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | H24 | sing | 1.08Å | 1.08Å | |
| C16 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | H27 | sing | 1.08Å | 1.08Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å | |
| O5 | C20 | doub | 1.21Å | 1.23Å | |
| C21 | N4 | sing | 1.46Å | 1.48Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | C23 | sing | 1.53Å | 1.39Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | C22 | sing | 1.53Å | 1.54Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | C21 | sing | 1.53Å | 1.53Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| N5 | C27 | sing | 1.47Å | 1.46Å | |
| N5 | H41 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | O6 | doub | 1.21Å | 1.23Å | |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | O7 | doub | 1.21Å | 1.25Å | |
| C30 | O8 | sing | 1.34Å | 1.25Å | |
| O8 | H45 | sing | 0.97Å | 0.95Å | |
| N6 | C31 | sing | 1.48Å | 1.46Å | |
| N6 | H46 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | O9 | doub | 1.21Å | 1.23Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | C36 | sing | 1.53Å | 1.52Å | |
| C34 | H50 | sing | 1.09Å | 1.10Å | |
| C35 | H51 | sing | 1.09Å | 1.10Å | |
| C35 | H52 | sing | 1.09Å | 1.10Å | |
| C35 | H53 | sing | 1.09Å | 1.10Å | |
| C36 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| N7 | C37 | sing | 1.48Å | 1.46Å | |
| N7 | H57 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.52Å | |
| C37 | C39 | sing | 1.53Å | 1.53Å | |
| C37 | H58 | sing | 1.09Å | 1.10Å | |
| C38 | O10 | doub | 1.21Å | 1.23Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C40 | C42 | sing | 1.53Å | 1.52Å | |
| C40 | H61 | sing | 1.09Å | 1.10Å | |
| C41 | H62 | sing | 1.09Å | 1.10Å | |
| C41 | H63 | sing | 1.09Å | 1.10Å | |
| C41 | H64 | sing | 1.09Å | 1.10Å | |
| C42 | H65 | sing | 1.09Å | 1.10Å | |
| C42 | H66 | sing | 1.09Å | 1.10Å | |
| C42 | H67 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.51Å | 1.54Å | |
| N8 | H68 | sing | 0.97Å | 1.00Å | |
| O11 | C43 | doub | 1.21Å | 1.23Å | |
| C44 | N8 | sing | 1.48Å | 1.49Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C45 | H69 | sing | 1.09Å | 1.10Å | |
| C45 | H70 | sing | 1.09Å | 1.10Å | |
| C46 | C48 | sing | 1.53Å | 1.52Å | |
| C46 | H71 | sing | 1.09Å | 1.10Å | |
| C46 | H72 | sing | 1.09Å | 1.10Å | |
| C47 | C46 | sing | 1.53Å | 1.39Å | |
| C47 | H73 | sing | 1.09Å | 1.10Å | |
| C47 | H74 | sing | 1.09Å | 1.10Å | |
| C48 | C45 | sing | 1.53Å | 1.53Å | |
| C48 | H75 | sing | 1.09Å | 1.10Å | |
| C48 | H76 | sing | 1.09Å | 1.10Å | |
| C49 | C44 | sing | 1.53Å | 1.52Å | |
| C49 | H77 | sing | 1.09Å | 1.10Å | |
| C49 | H78 | sing | 1.09Å | 1.10Å | |
| C49 | H79 | sing | 1.09Å | 1.10Å | |
| N9 | C50 | sing | 1.47Å | 1.46Å | |
| N9 | H80 | sing | 0.97Å | 1.00Å | |
| C50 | C51 | sing | 1.51Å | 1.53Å | |
| C50 | C52 | sing | 1.53Å | 1.53Å | |
| C50 | H81 | sing | 1.09Å | 1.10Å | |
| C51 | O12 | doub | 1.21Å | 1.23Å | |
| C52 | C53 | sing | 1.51Å | 1.52Å | |
| C52 | H82 | sing | 1.09Å | 1.10Å | |
| C52 | H83 | sing | 1.09Å | 1.10Å | |
| C53 | C54 | doub | 1.38Å | 1.39Å | Aromatic |
| C53 | C55 | sing | 1.38Å | 1.39Å | Aromatic |
| C54 | C56 | sing | 1.38Å | 1.38Å | Aromatic |
| C54 | H84 | sing | 1.08Å | 1.08Å | |
| C55 | C57 | doub | 1.38Å | 1.38Å | Aromatic |
| C55 | H85 | sing | 1.08Å | 1.08Å | |
| C56 | C58 | doub | 1.39Å | 1.38Å | Aromatic |
| C56 | H86 | sing | 1.08Å | 1.08Å | |
| C57 | C58 | sing | 1.39Å | 1.38Å | Aromatic |
| C57 | H87 | sing | 1.08Å | 1.08Å | |
| C58 | O13 | sing | 1.36Å | 1.38Å | |
| O13 | H88 | sing | 0.97Å | 0.95Å | |
| N10 | C59 | sing | 1.46Å | 1.46Å | |
| N10 | H89 | sing | 0.97Å | 1.00Å | |
| C59 | C60 | sing | 1.51Å | 1.53Å | |
| C59 | C61 | sing | 1.53Å | 1.53Å | |
| C59 | H90 | sing | 1.09Å | 1.10Å | |
| C60 | O14 | doub | 1.21Å | 1.23Å | |
| C61 | C62 | sing | 1.51Å | 1.51Å | |
| C61 | H91 | sing | 1.09Å | 1.10Å | |
| C61 | H92 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | doub | 1.38Å | 1.39Å | Aromatic |
| C62 | C64 | sing | 1.38Å | 1.39Å | Aromatic |
| C63 | C65 | sing | 1.38Å | 1.38Å | Aromatic |
| C63 | H93 | sing | 1.08Å | 1.08Å | |
| C64 | C66 | doub | 1.38Å | 1.38Å | Aromatic |
| C64 | H94 | sing | 1.08Å | 1.08Å | |
| C65 | C67 | doub | 1.39Å | 1.38Å | Aromatic |
| C65 | H95 | sing | 1.08Å | 1.08Å | |
| C66 | C67 | sing | 1.39Å | 1.38Å | Aromatic |
| C66 | H96 | sing | 1.08Å | 1.08Å | |
| C67 | O15 | sing | 1.36Å | 1.37Å | |
| O15 | H97 | sing | 0.97Å | 0.95Å | |
| N11 | C68 | sing | 1.46Å | 1.45Å | |
| N11 | H98 | sing | 0.97Å | 1.00Å | |
| C68 | C69 | sing | 1.51Å | 1.52Å | |
| C68 | H99 | sing | 1.09Å | 1.10Å | |
| C68 | H100 | sing | 1.09Å | 1.10Å | |
| C69 | O16 | doub | 1.21Å | 1.23Å | |
| N12 | C70 | sing | 1.47Å | 1.45Å | |
| N12 | H101 | sing | 0.97Å | 1.00Å | |
| C70 | C71 | sing | 1.51Å | 1.52Å | |
| C70 | C72 | sing | 1.53Å | 1.53Å | |
| C70 | H102 | sing | 1.09Å | 1.10Å | |
| C71 | O17 | doub | 1.21Å | 1.22Å | |
| C72 | C73 | sing | 1.53Å | 1.52Å | |
| C72 | H103 | sing | 1.09Å | 1.10Å | |
| C72 | H104 | sing | 1.09Å | 1.10Å | |
| C73 | C74 | sing | 1.53Å | 1.52Å | |
| C73 | H105 | sing | 1.09Å | 1.10Å | |
| C73 | H106 | sing | 1.09Å | 1.10Å | |
| C74 | C75 | sing | 1.53Å | 1.52Å | |
| C74 | H107 | sing | 1.09Å | 1.10Å | |
| C74 | H108 | sing | 1.09Å | 1.10Å | |
| C75 | N13 | sing | 1.47Å | 1.49Å | |
| C75 | H109 | sing | 1.09Å | 1.10Å | |
| C75 | H110 | sing | 1.09Å | 1.10Å | |
| N13 | H111 | sing | 1.01Å | 1.00Å | |
| N13 | H112 | sing | 1.01Å | 1.00Å | |
| N13 | H113 | sing | 1.01Å | 1.00Å | |
| N14 | C76 | sing | 1.47Å | 1.46Å | |
| N14 | H114 | sing | 0.97Å | 1.00Å | |
| C76 | C77 | sing | 1.51Å | 1.52Å | |
| C76 | C78 | sing | 1.53Å | 1.53Å | |
| C76 | H115 | sing | 1.09Å | 1.10Å | |
| C77 | O18 | doub | 1.21Å | 1.23Å | |
| C78 | C79 | sing | 1.53Å | 1.52Å | |
| C78 | H116 | sing | 1.09Å | 1.10Å | |
| C78 | H117 | sing | 1.09Å | 1.10Å | |
| C79 | C80 | sing | 1.53Å | 1.52Å | |
| C79 | H118 | sing | 1.09Å | 1.10Å | |
| C79 | H119 | sing | 1.09Å | 1.10Å | |
| C80 | C81 | sing | 1.53Å | 1.52Å | |
| C80 | H120 | sing | 1.09Å | 1.10Å | |
| C80 | H121 | sing | 1.09Å | 1.10Å | |
| C81 | N15 | sing | 1.47Å | 1.49Å | |
| C81 | H122 | sing | 1.09Å | 1.10Å | |
| C81 | H123 | sing | 1.09Å | 1.10Å | |
| N15 | H124 | sing | 1.01Å | 1.00Å | |
| N15 | H125 | sing | 1.01Å | 1.00Å | |
| N15 | H126 | sing | 1.01Å | 1.00Å | |
| N16 | C82 | sing | 1.46Å | 1.46Å | |
| N16 | H127 | sing | 0.97Å | 1.00Å | |
| C82 | C83 | sing | 1.51Å | 1.52Å | |
| C82 | C84 | sing | 1.53Å | 1.54Å | |
| C82 | H128 | sing | 1.09Å | 1.10Å | |
| C83 | O19 | doub | 1.21Å | 1.25Å | |
| C83 | O20 | sing | 1.34Å | 1.25Å | |
| C84 | C85 | sing | 1.53Å | 1.52Å | |
| C84 | H129 | sing | 1.09Å | 1.10Å | |
| C84 | H130 | sing | 1.09Å | 1.10Å | |
| C85 | C86 | sing | 1.53Å | 1.52Å | |
| C85 | H131 | sing | 1.09Å | 1.10Å | |
| C85 | H132 | sing | 1.09Å | 1.10Å | |
| C86 | C87 | sing | 1.53Å | 1.52Å | |
| C86 | H133 | sing | 1.09Å | 1.10Å | |
| C86 | H134 | sing | 1.09Å | 1.10Å | |
| C87 | N17 | sing | 1.47Å | 1.49Å | |
| C87 | H135 | sing | 1.09Å | 1.10Å | |
| C87 | H136 | sing | 1.09Å | 1.10Å | |
| N17 | H137 | sing | 1.01Å | 1.00Å | |
| N17 | H138 | sing | 1.01Å | 1.00Å | |
| N17 | H139 | sing | 1.01Å | 1.00Å | |
| O20 | H140 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.35Å | 1.32Å | |
| C8 | N3 | sing | 1.35Å | 1.33Å | |
| C12 | N4 | sing | 1.35Å | 1.34Å | |
| C20 | N5 | sing | 1.35Å | 1.34Å | |
| C24 | C47 | sing | 1.53Å | 1.39Å | |
| C28 | N6 | sing | 1.36Å | 1.33Å | |
| C32 | N7 | sing | 1.37Å | 1.33Å | |
| C38 | N8 | sing | 1.36Å | 1.34Å | |
| C43 | N9 | sing | 1.35Å | 1.32Å | |
| C51 | N10 | sing | 1.35Å | 1.32Å | |
| C60 | N11 | sing | 1.35Å | 1.33Å | |
| C69 | N12 | sing | 1.35Å | 1.33Å | |
| C71 | N14 | sing | 1.35Å | 1.32Å | |
| C77 | N16 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 108.8° | 109.5° |
| N1 | C1 | C3 | 111.4° | 109.5° |
| N1 | C1 | H3 | 109.1° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 110.6° | 109.5° |
| C2 | C1 | H3 | 108.6° | 109.4° |
| C1 | C2 | O1 | 122.2° | 120.0° |
| C1 | C2 | N2 | 114.5° | 120.1° |
| C3 | C1 | H3 | 108.3° | 109.5° |
| C1 | C3 | C4 | 109.4° | 109.4° |
| C1 | C3 | C5 | 110.8° | 109.5° |
| C1 | C3 | H4 | 108.6° | 109.5° |
| O1 | C2 | N2 | 123.3° | 120.0° |
| C4 | C3 | C5 | 110.3° | 109.5° |
| C4 | C3 | H4 | 108.8° | 109.4° |
| C3 | C4 | C6 | 113.4° | 109.5° |
| C3 | C4 | H5 | 108.5° | 109.4° |
| C3 | C4 | H6 | 108.5° | 109.5° |
| C5 | C3 | H4 | 108.9° | 109.5° |
| C3 | C5 | H7 | 109.5° | 109.5° |
| C3 | C5 | H8 | 109.4° | 109.4° |
| C3 | C5 | H9 | 109.4° | 109.5° |
| C6 | C4 | H5 | 108.5° | 109.4° |
| C6 | C4 | H6 | 108.5° | 109.5° |
| C4 | C6 | H10 | 109.5° | 109.4° |
| C4 | C6 | H11 | 109.5° | 109.5° |
| C4 | C6 | H12 | 109.5° | 109.4° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H9 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H10 | C6 | H12 | 109.5° | 109.5° |
| H11 | C6 | H12 | 109.4° | 109.5° |
| C7 | N2 | H13 | 119.0° | 120.1° |
| N2 | C7 | C8 | 109.7° | 109.5° |
| N2 | C7 | C9 | 110.7° | 109.4° |
| N2 | C7 | H14 | 109.3° | 109.5° |
| C7 | N2 | C2 | 121.9° | 120.0° |
| H13 | N2 | C2 | 119.0° | 119.9° |
| C8 | C7 | C9 | 111.1° | 109.5° |
| C8 | C7 | H14 | 108.2° | 109.5° |
| C7 | C8 | O2 | 119.9° | 120.0° |
| C7 | C8 | N3 | 117.4° | 120.0° |
| C9 | C7 | H14 | 107.8° | 109.5° |
| C7 | C9 | O3 | 111.4° | 109.5° |
| C7 | C9 | C10 | 111.6° | 109.5° |
| C7 | C9 | H15 | 108.1° | 109.4° |
| O2 | C8 | N3 | 122.7° | 119.9° |
| O3 | C9 | C10 | 107.7° | 109.5° |
| O3 | C9 | H15 | 109.6° | 109.5° |
| C9 | O3 | H16 | 109.5° | 114.0° |
| C10 | C9 | H15 | 108.4° | 109.5° |
| C9 | C10 | H17 | 109.5° | 109.5° |
| C9 | C10 | H18 | 109.4° | 109.5° |
| C9 | C10 | H19 | 109.4° | 109.5° |
| H17 | C10 | H18 | 109.5° | 109.5° |
| H17 | C10 | H19 | 109.5° | 109.5° |
| H18 | C10 | H19 | 109.5° | 109.4° |
| C11 | N3 | H20 | 119.2° | 120.0° |
| N3 | C11 | C12 | 109.8° | 109.5° |
| N3 | C11 | C13 | 110.3° | 109.5° |
| N3 | C11 | H21 | 109.4° | 109.5° |
| C11 | N3 | C8 | 121.6° | 120.1° |
| H20 | N3 | C8 | 119.2° | 120.0° |
| C12 | C11 | C13 | 110.4° | 109.5° |
| C12 | C11 | H21 | 108.5° | 109.4° |
| C11 | C12 | O4 | 120.7° | 120.0° |
| C11 | C12 | N4 | 115.7° | 120.0° |
| C13 | C11 | H21 | 108.4° | 109.5° |
| C11 | C13 | C14 | 113.5° | 109.5° |
| C11 | C13 | H22 | 108.5° | 109.5° |
| C11 | C13 | H23 | 108.4° | 109.5° |
| O4 | C12 | N4 | 123.7° | 120.0° |
| C14 | C13 | H22 | 108.4° | 109.5° |
| C14 | C13 | H23 | 108.5° | 109.5° |
| C13 | C14 | C15 | 120.3° | 120.0° |
| C13 | C14 | C16 | 120.9° | 120.0° |
| H22 | C13 | H23 | 109.5° | 109.4° |
| C15 | C14 | C16 | 118.8° | 120.0° |
| C14 | C15 | C17 | 120.9° | 120.0° |
| C14 | C15 | H24 | 119.5° | 120.0° |
| C14 | C16 | C18 | 120.6° | 120.0° |
| C14 | C16 | H25 | 119.7° | 120.0° |
| C17 | C15 | H24 | 119.6° | 120.0° |
| C15 | C17 | C19 | 119.9° | 120.0° |
| C15 | C17 | H26 | 120.0° | 120.0° |
| C18 | C16 | H25 | 119.7° | 120.1° |
| C16 | C18 | C19 | 119.9° | 120.1° |
| C16 | C18 | H27 | 120.0° | 120.0° |
| C19 | C17 | H26 | 120.1° | 120.0° |
| C17 | C19 | C18 | 120.0° | 120.0° |
| C17 | C19 | H28 | 120.0° | 120.0° |
| C19 | C18 | H27 | 120.1° | 120.0° |
| C18 | C19 | H28 | 120.0° | 120.0° |
| C21 | C20 | O5 | 121.4° | 120.0° |
| C20 | C21 | N4 | 106.6° | 109.5° |
| C20 | C21 | C22 | 109.3° | 109.5° |
| C20 | C21 | C26 | 111.4° | 109.5° |
| C21 | C20 | N5 | 115.2° | 120.0° |
| H29 | N4 | C21 | 118.4° | 120.0° |
| H29 | N4 | C12 | 118.5° | 120.0° |
| O5 | C20 | N5 | 123.4° | 120.0° |
| N4 | C21 | C22 | 109.1° | 109.5° |
| N4 | C21 | C26 | 110.1° | 109.4° |
| C21 | N4 | C12 | 123.1° | 120.0° |
| C21 | C22 | H30 | 108.3° | 109.5° |
| C21 | C22 | H31 | 108.3° | 109.5° |
| C21 | C22 | C25 | 114.0° | 109.4° |
| C22 | C21 | C26 | 110.2° | 109.5° |
| H30 | C22 | H31 | 109.4° | 109.5° |
| H30 | C22 | C25 | 108.3° | 109.5° |
| H31 | C22 | C25 | 108.3° | 109.5° |
| C25 | C23 | H32 | 108.0° | 109.5° |
| C25 | C23 | H33 | 108.0° | 109.5° |
| C25 | C23 | C24 | 115.4° | 109.5° |
| C23 | C25 | C22 | 114.4° | 109.6° |
| C23 | C25 | H36 | 108.2° | 109.5° |
| C23 | C25 | H37 | 108.2° | 109.5° |
| H32 | C23 | H33 | 109.5° | 109.5° |
| H32 | C23 | C24 | 108.0° | 109.5° |
| H33 | C23 | C24 | 108.0° | 109.4° |
| C23 | C24 | H34 | 106.8° | 109.5° |
| C23 | C24 | H35 | 106.8° | 109.5° |
| C23 | C24 | C47 | 119.9° | 109.5° |
| H34 | C24 | H35 | 109.4° | 109.4° |
| H34 | C24 | C47 | 106.8° | 109.5° |
| H35 | C24 | C47 | 106.8° | 109.5° |
| C22 | C25 | H36 | 108.2° | 109.4° |
| C22 | C25 | H37 | 108.2° | 109.4° |
| H36 | C25 | H37 | 109.4° | 109.4° |
| C21 | C26 | H38 | 109.5° | 109.4° |
| C21 | C26 | H39 | 109.5° | 109.5° |
| C21 | C26 | H40 | 109.5° | 109.5° |
| H38 | C26 | H39 | 109.4° | 109.5° |
| H38 | C26 | H40 | 109.5° | 109.5° |
| H39 | C26 | H40 | 109.5° | 109.5° |
| C27 | N5 | H41 | 118.8° | 120.0° |
| N5 | C27 | C28 | 110.9° | 109.3° |
| N5 | C27 | C29 | 110.7° | 109.5° |
| N5 | C27 | H42 | 109.0° | 109.5° |
| C27 | N5 | C20 | 122.5° | 120.0° |
| H41 | N5 | C20 | 118.7° | 120.0° |
| C28 | C27 | C29 | 109.9° | 109.5° |
| C28 | C27 | H42 | 108.2° | 109.5° |
| C27 | C28 | O6 | 120.8° | 120.5° |
| C27 | C28 | N6 | 116.0° | 119.1° |
| C29 | C27 | H42 | 108.1° | 109.5° |
| C27 | C29 | C30 | 112.7° | 109.5° |
| C27 | C29 | H43 | 108.7° | 109.4° |
| C27 | C29 | H44 | 108.7° | 109.4° |
| O6 | C28 | N6 | 123.2° | 120.5° |
| C30 | C29 | H43 | 108.7° | 109.5° |
| C30 | C29 | H44 | 108.6° | 109.5° |
| C29 | C30 | O7 | 118.4° | 119.9° |
| C29 | C30 | O8 | 118.9° | 120.0° |
| H43 | C29 | H44 | 109.4° | 109.4° |
| O7 | C30 | O8 | 122.7° | 120.0° |
| C30 | O8 | H45 | 109.5° | 117.0° |
| C31 | N6 | H46 | 119.1° | 121.8° |
| N6 | C31 | C32 | 110.4° | 108.8° |
| N6 | C31 | C33 | 110.5° | 109.6° |
| N6 | C31 | H47 | 109.4° | 109.6° |
| C31 | N6 | C28 | 121.8° | 116.5° |
| H46 | N6 | C28 | 119.1° | 121.7° |
| C32 | C31 | C33 | 109.7° | 109.6° |
| C32 | C31 | H47 | 108.4° | 109.6° |
| C31 | C32 | O9 | 121.1° | 120.6° |
| C31 | C32 | N7 | 115.8° | 118.9° |
| C33 | C31 | H47 | 108.4° | 109.7° |
| C31 | C33 | C34 | 115.2° | 109.5° |
| C31 | C33 | H48 | 108.0° | 109.5° |
| C31 | C33 | H49 | 108.0° | 109.5° |
| O9 | C32 | N7 | 123.2° | 120.6° |
| C34 | C33 | H48 | 108.0° | 109.4° |
| C34 | C33 | H49 | 108.0° | 109.5° |
| C33 | C34 | C35 | 110.2° | 109.5° |
| C33 | C34 | C36 | 110.7° | 109.5° |
| C33 | C34 | H50 | 108.2° | 109.4° |
| H48 | C33 | H49 | 109.5° | 109.5° |
| C35 | C34 | C36 | 111.0° | 109.5° |
| C35 | C34 | H50 | 108.3° | 109.5° |
| C34 | C35 | H51 | 109.5° | 109.5° |
| C34 | C35 | H52 | 109.5° | 109.4° |
| C34 | C35 | H53 | 109.4° | 109.5° |
| C36 | C34 | H50 | 108.3° | 109.5° |
| C34 | C36 | H54 | 109.5° | 109.5° |
| C34 | C36 | H55 | 109.5° | 109.4° |
| C34 | C36 | H56 | 109.5° | 109.5° |
| H51 | C35 | H52 | 109.5° | 109.4° |
| H51 | C35 | H53 | 109.5° | 109.5° |
| H52 | C35 | H53 | 109.5° | 109.5° |
| H54 | C36 | H55 | 109.5° | 109.5° |
| H54 | C36 | H56 | 109.5° | 109.5° |
| H55 | C36 | H56 | 109.5° | 109.5° |
| C37 | N7 | H57 | 118.9° | 122.5° |
| N7 | C37 | C38 | 111.3° | 108.6° |
| N7 | C37 | C39 | 110.7° | 109.6° |
| N7 | C37 | H58 | 108.8° | 109.6° |
| C37 | N7 | C32 | 122.2° | 115.1° |
| H57 | N7 | C32 | 118.9° | 122.4° |
| C38 | C37 | C39 | 110.1° | 109.6° |
| C38 | C37 | H58 | 108.0° | 109.6° |
| C37 | C38 | O10 | 120.1° | 120.4° |
| C37 | C38 | N8 | 116.6° | 119.2° |
| C39 | C37 | H58 | 107.8° | 109.7° |
| C37 | C39 | C40 | 115.2° | 109.5° |
| C37 | C39 | H59 | 108.0° | 109.5° |
| C37 | C39 | H60 | 108.0° | 109.5° |
| O10 | C38 | N8 | 123.4° | 120.4° |
| C40 | C39 | H59 | 108.0° | 109.5° |
| C40 | C39 | H60 | 108.0° | 109.5° |
| C39 | C40 | C41 | 110.8° | 109.5° |
| C39 | C40 | C42 | 110.7° | 109.4° |
| C39 | C40 | H61 | 108.4° | 109.5° |
| H59 | C39 | H60 | 109.5° | 109.5° |
| C41 | C40 | C42 | 109.7° | 109.5° |
| C41 | C40 | H61 | 108.6° | 109.5° |
| C40 | C41 | H62 | 109.5° | 109.5° |
| C40 | C41 | H63 | 109.4° | 109.5° |
| C40 | C41 | H64 | 109.5° | 109.5° |
| C42 | C40 | H61 | 108.6° | 109.5° |
| C40 | C42 | H65 | 109.5° | 109.4° |
| C40 | C42 | H66 | 109.5° | 109.4° |
| C40 | C42 | H67 | 109.5° | 109.5° |
| H62 | C41 | H63 | 109.4° | 109.5° |
| H62 | C41 | H64 | 109.5° | 109.5° |
| H63 | C41 | H64 | 109.5° | 109.5° |
| H65 | C42 | H66 | 109.5° | 109.5° |
| H65 | C42 | H67 | 109.5° | 109.5° |
| H66 | C42 | H67 | 109.5° | 109.5° |
| C44 | C43 | O11 | 120.6° | 120.0° |
| C43 | C44 | N8 | 109.6° | 109.6° |
| C43 | C44 | C45 | 108.7° | 109.6° |
| C43 | C44 | C49 | 109.1° | 109.5° |
| C44 | C43 | N9 | 116.7° | 120.0° |
| H68 | N8 | C44 | 118.7° | 121.8° |
| H68 | N8 | C38 | 118.7° | 121.7° |
| O11 | C43 | N9 | 122.7° | 120.0° |
| N8 | C44 | C45 | 111.4° | 109.0° |
| N8 | C44 | C49 | 109.5° | 109.6° |
| C44 | N8 | C38 | 122.6° | 116.5° |
| C44 | C45 | H69 | 108.6° | 109.5° |
| C44 | C45 | H70 | 108.7° | 109.5° |
| C44 | C45 | C48 | 112.8° | 109.4° |
| C45 | C44 | C49 | 108.4° | 109.6° |
| H69 | C45 | H70 | 109.5° | 109.5° |
| H69 | C45 | C48 | 108.6° | 109.5° |
| H70 | C45 | C48 | 108.6° | 109.4° |
| C48 | C46 | H71 | 108.5° | 109.5° |
| C48 | C46 | H72 | 108.6° | 109.5° |
| C48 | C46 | C47 | 113.1° | 109.6° |
| C46 | C48 | C45 | 112.1° | 109.6° |
| C46 | C48 | H75 | 108.8° | 109.5° |
| C46 | C48 | H76 | 108.8° | 109.4° |
| H71 | C46 | H72 | 109.5° | 109.4° |
| H71 | C46 | C47 | 108.6° | 109.5° |
| H72 | C46 | C47 | 108.5° | 109.4° |
| C46 | C47 | H73 | 106.6° | 109.5° |
| C46 | C47 | H74 | 106.6° | 109.5° |
| C46 | C47 | C24 | 120.7° | 109.5° |
| H73 | C47 | H74 | 109.5° | 109.4° |
| H73 | C47 | C24 | 106.6° | 109.5° |
| H74 | C47 | C24 | 106.6° | 109.4° |
| C45 | C48 | H75 | 108.8° | 109.5° |
| C45 | C48 | H76 | 108.8° | 109.4° |
| H75 | C48 | H76 | 109.5° | 109.5° |
| C44 | C49 | H77 | 109.5° | 109.5° |
| C44 | C49 | H78 | 109.5° | 109.5° |
| C44 | C49 | H79 | 109.5° | 109.5° |
| H77 | C49 | H78 | 109.4° | 109.5° |
| H77 | C49 | H79 | 109.5° | 109.4° |
| H78 | C49 | H79 | 109.5° | 109.5° |
| C50 | N9 | H80 | 119.3° | 120.0° |
| N9 | C50 | C51 | 111.2° | 109.4° |
| N9 | C50 | C52 | 110.8° | 109.5° |
| N9 | C50 | H81 | 108.8° | 109.5° |
| C50 | N9 | C43 | 121.5° | 120.0° |
| H80 | N9 | C43 | 119.2° | 120.0° |
| C51 | C50 | C52 | 110.0° | 109.5° |
| C51 | C50 | H81 | 108.0° | 109.5° |
| C50 | C51 | O12 | 120.9° | 120.0° |
| C50 | C51 | N10 | 116.7° | 119.9° |
| C52 | C50 | H81 | 107.9° | 109.5° |
| C50 | C52 | C53 | 113.6° | 109.5° |
| C50 | C52 | H82 | 108.4° | 109.5° |
| C50 | C52 | H83 | 108.4° | 109.5° |
| O12 | C51 | N10 | 122.4° | 120.0° |
| C53 | C52 | H82 | 108.4° | 109.5° |
| C53 | C52 | H83 | 108.4° | 109.5° |
| C52 | C53 | C54 | 121.2° | 120.0° |
| C52 | C53 | C55 | 120.6° | 119.9° |
| H82 | C52 | H83 | 109.5° | 109.5° |
| C54 | C53 | C55 | 118.2° | 120.1° |
| C53 | C54 | C56 | 120.9° | 120.1° |
| C53 | C54 | H84 | 119.6° | 120.0° |
| C53 | C55 | C57 | 121.2° | 120.0° |
| C53 | C55 | H85 | 119.4° | 120.0° |
| C56 | C54 | H84 | 119.5° | 119.9° |
| C54 | C56 | C58 | 119.7° | 119.9° |
| C54 | C56 | H86 | 120.1° | 120.1° |
| C57 | C55 | H85 | 119.4° | 119.9° |
| C55 | C57 | C58 | 119.6° | 119.9° |
| C55 | C57 | H87 | 120.2° | 120.0° |
| C58 | C56 | H86 | 120.2° | 120.0° |
| C56 | C58 | C57 | 120.4° | 119.9° |
| C56 | C58 | O13 | 119.8° | 120.1° |
| C58 | C57 | H87 | 120.2° | 120.1° |
| C57 | C58 | O13 | 119.8° | 120.0° |
| C58 | O13 | H88 | 109.5° | 114.0° |
| C59 | N10 | H89 | 119.4° | 120.0° |
| N10 | C59 | C60 | 111.7° | 109.4° |
| N10 | C59 | C61 | 110.5° | 109.5° |
| N10 | C59 | H90 | 108.3° | 109.5° |
| C59 | N10 | C51 | 121.2° | 119.9° |
| H89 | N10 | C51 | 119.4° | 120.0° |
| C60 | C59 | C61 | 111.2° | 109.5° |
| C60 | C59 | H90 | 107.5° | 109.4° |
| C59 | C60 | O14 | 120.6° | 120.0° |
| C59 | C60 | N11 | 116.4° | 120.0° |
| C61 | C59 | H90 | 107.5° | 109.5° |
| C59 | C61 | C62 | 112.8° | 109.4° |
| C59 | C61 | H91 | 108.6° | 109.5° |
| C59 | C61 | H92 | 108.6° | 109.4° |
| O14 | C60 | N11 | 123.0° | 120.0° |
| C62 | C61 | H91 | 108.6° | 109.5° |
| C62 | C61 | H92 | 108.7° | 109.5° |
| C61 | C62 | C63 | 121.3° | 120.0° |
| C61 | C62 | C64 | 120.6° | 119.9° |
| H91 | C61 | H92 | 109.5° | 109.5° |
| C63 | C62 | C64 | 118.1° | 120.1° |
| C62 | C63 | C65 | 121.1° | 120.1° |
| C62 | C63 | H93 | 119.5° | 119.9° |
| C62 | C64 | C66 | 121.1° | 120.1° |
| C62 | C64 | H94 | 119.5° | 120.0° |
| C65 | C63 | H93 | 119.5° | 120.0° |
| C63 | C65 | C67 | 119.7° | 120.0° |
| C63 | C65 | H95 | 120.1° | 120.0° |
| C66 | C64 | H94 | 119.5° | 120.0° |
| C64 | C66 | C67 | 119.7° | 119.9° |
| C64 | C66 | H96 | 120.2° | 120.1° |
| C67 | C65 | H95 | 120.1° | 120.0° |
| C65 | C67 | C66 | 120.3° | 119.9° |
| C65 | C67 | O15 | 119.8° | 120.1° |
| C67 | C66 | H96 | 120.1° | 120.0° |
| C66 | C67 | O15 | 119.9° | 120.1° |
| C67 | O15 | H97 | 109.5° | 114.0° |
| C68 | N11 | H98 | 119.6° | 120.0° |
| N11 | C68 | C69 | 113.4° | 109.4° |
| N11 | C68 | H99 | 108.5° | 109.5° |
| N11 | C68 | H100 | 108.5° | 109.5° |
| C68 | N11 | C60 | 120.9° | 120.0° |
| H98 | N11 | C60 | 119.6° | 120.0° |
| C69 | C68 | H99 | 108.5° | 109.4° |
| C69 | C68 | H100 | 108.5° | 109.5° |
| C68 | C69 | O16 | 120.5° | 120.0° |
| C68 | C69 | N12 | 116.6° | 119.9° |
| H99 | C68 | H100 | 109.5° | 109.5° |
| O16 | C69 | N12 | 122.9° | 120.1° |
| C70 | N12 | H101 | 118.9° | 120.0° |
| N12 | C70 | C71 | 109.0° | 109.5° |
| N12 | C70 | C72 | 110.6° | 109.5° |
| N12 | C70 | H102 | 109.8° | 109.5° |
| C70 | N12 | C69 | 122.2° | 120.0° |
| H101 | N12 | C69 | 118.9° | 120.1° |
| C71 | C70 | C72 | 109.7° | 109.5° |
| C71 | C70 | H102 | 108.9° | 109.5° |
| C70 | C71 | O17 | 120.4° | 120.0° |
| C70 | C71 | N14 | 116.9° | 120.0° |
| C72 | C70 | H102 | 108.7° | 109.4° |
| C70 | C72 | C73 | 114.0° | 109.5° |
| C70 | C72 | H103 | 108.3° | 109.5° |
| C70 | C72 | H104 | 108.3° | 109.5° |
| O17 | C71 | N14 | 122.7° | 120.0° |
| C73 | C72 | H103 | 108.3° | 109.5° |
| C73 | C72 | H104 | 108.3° | 109.5° |
| C72 | C73 | C74 | 111.5° | 109.5° |
| C72 | C73 | H105 | 109.0° | 109.5° |
| C72 | C73 | H106 | 109.0° | 109.5° |
| H103 | C72 | H104 | 109.5° | 109.4° |
| C74 | C73 | H105 | 108.9° | 109.5° |
| C74 | C73 | H106 | 109.0° | 109.4° |
| C73 | C74 | C75 | 111.3° | 109.5° |
| C73 | C74 | H107 | 109.0° | 109.5° |
| C73 | C74 | H108 | 109.0° | 109.4° |
| H105 | C73 | H106 | 109.5° | 109.5° |
| C75 | C74 | H107 | 109.0° | 109.5° |
| C75 | C74 | H108 | 109.0° | 109.4° |
| C74 | C75 | N13 | 111.9° | 109.5° |
| C74 | C75 | H109 | 108.8° | 109.5° |
| C74 | C75 | H110 | 108.9° | 109.4° |
| H107 | C74 | H108 | 109.4° | 109.4° |
| N13 | C75 | H109 | 108.8° | 109.5° |
| N13 | C75 | H110 | 108.9° | 109.5° |
| C75 | N13 | H111 | 109.5° | 109.5° |
| C75 | N13 | H112 | 109.5° | 109.5° |
| C75 | N13 | H113 | 109.4° | 109.5° |
| H109 | C75 | H110 | 109.5° | 109.5° |
| H111 | N13 | H112 | 109.5° | 109.5° |
| H111 | N13 | H113 | 109.5° | 109.4° |
| H112 | N13 | H113 | 109.5° | 109.5° |
| C76 | N14 | H114 | 119.4° | 120.0° |
| N14 | C76 | C77 | 111.8° | 109.5° |
| N14 | C76 | C78 | 110.8° | 109.5° |
| N14 | C76 | H115 | 108.6° | 109.4° |
| C76 | N14 | C71 | 121.2° | 120.0° |
| H114 | N14 | C71 | 119.4° | 120.0° |
| C77 | C76 | C78 | 109.9° | 109.5° |
| C77 | C76 | H115 | 107.8° | 109.5° |
| C76 | C77 | O18 | 120.1° | 120.0° |
| C76 | C77 | N16 | 116.3° | 120.0° |
| C78 | C76 | H115 | 107.7° | 109.5° |
| C76 | C78 | C79 | 113.5° | 109.5° |
| C76 | C78 | H116 | 108.4° | 109.4° |
| C76 | C78 | H117 | 108.4° | 109.4° |
| O18 | C77 | N16 | 123.6° | 120.0° |
| C79 | C78 | H116 | 108.5° | 109.5° |
| C79 | C78 | H117 | 108.5° | 109.5° |
| C78 | C79 | C80 | 111.9° | 109.5° |
| C78 | C79 | H118 | 108.9° | 109.5° |
| C78 | C79 | H119 | 108.9° | 109.5° |
| H116 | C78 | H117 | 109.5° | 109.5° |
| C80 | C79 | H118 | 108.8° | 109.5° |
| C80 | C79 | H119 | 108.9° | 109.5° |
| C79 | C80 | C81 | 111.3° | 109.5° |
| C79 | C80 | H120 | 109.0° | 109.5° |
| C79 | C80 | H121 | 109.0° | 109.4° |
| H118 | C79 | H119 | 109.5° | 109.5° |
| C81 | C80 | H120 | 109.0° | 109.5° |
| C81 | C80 | H121 | 109.0° | 109.5° |
| C80 | C81 | N15 | 112.4° | 109.5° |
| C80 | C81 | H122 | 108.7° | 109.5° |
| C80 | C81 | H123 | 108.7° | 109.4° |
| H120 | C80 | H121 | 109.5° | 109.5° |
| N15 | C81 | H122 | 108.7° | 109.5° |
| N15 | C81 | H123 | 108.7° | 109.5° |
| C81 | N15 | H124 | 109.5° | 109.4° |
| C81 | N15 | H125 | 109.5° | 109.5° |
| C81 | N15 | H126 | 109.5° | 109.5° |
| H122 | C81 | H123 | 109.5° | 109.4° |
| H124 | N15 | H125 | 109.5° | 109.5° |
| H124 | N15 | H126 | 109.5° | 109.5° |
| H125 | N15 | H126 | 109.4° | 109.5° |
| C82 | N16 | H127 | 118.7° | 120.1° |
| N16 | C82 | C83 | 110.0° | 109.5° |
| N16 | C82 | C84 | 112.1° | 109.4° |
| N16 | C82 | H128 | 108.9° | 109.5° |
| C82 | N16 | C77 | 122.5° | 120.0° |
| H127 | N16 | C77 | 118.7° | 120.0° |
| C83 | C82 | C84 | 109.6° | 109.5° |
| C83 | C82 | H128 | 108.1° | 109.5° |
| C82 | C83 | O19 | 118.6° | 120.0° |
| C82 | C83 | O20 | 118.5° | 120.0° |
| C84 | C82 | H128 | 108.0° | 109.5° |
| C82 | C84 | C85 | 113.2° | 109.5° |
| C82 | C84 | H129 | 108.5° | 109.5° |
| C82 | C84 | H130 | 108.5° | 109.4° |
| O19 | C83 | O20 | 122.9° | 120.0° |
| C83 | O20 | H140 | 109.5° | 117.0° |
| C85 | C84 | H129 | 108.5° | 109.5° |
| C85 | C84 | H130 | 108.5° | 109.5° |
| C84 | C85 | C86 | 111.2° | 109.5° |
| C84 | C85 | H131 | 109.0° | 109.5° |
| C84 | C85 | H132 | 109.0° | 109.4° |
| H129 | C84 | H130 | 109.5° | 109.4° |
| C86 | C85 | H131 | 109.1° | 109.4° |
| C86 | C85 | H132 | 109.0° | 109.5° |
| C85 | C86 | C87 | 111.4° | 109.5° |
| C85 | C86 | H133 | 109.0° | 109.4° |
| C85 | C86 | H134 | 109.0° | 109.5° |
| H131 | C85 | H132 | 109.5° | 109.5° |
| C87 | C86 | H133 | 109.0° | 109.5° |
| C87 | C86 | H134 | 109.0° | 109.5° |
| C86 | C87 | N17 | 112.4° | 109.5° |
| C86 | C87 | H135 | 108.7° | 109.5° |
| C86 | C87 | H136 | 108.7° | 109.4° |
| H133 | C86 | H134 | 109.5° | 109.5° |
| N17 | C87 | H135 | 108.8° | 109.4° |
| N17 | C87 | H136 | 108.7° | 109.5° |
| C87 | N17 | H137 | 109.5° | 109.5° |
| C87 | N17 | H138 | 109.5° | 109.5° |
| C87 | N17 | H139 | 109.5° | 109.5° |
| H135 | C87 | H136 | 109.5° | 109.5° |
| H137 | N17 | H138 | 109.5° | 109.4° |
| H137 | N17 | H139 | 109.5° | 109.5° |
| H138 | N17 | H139 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C2 | C3 | 122.7° | 120.1° |
| N1 | C1 | C2 | H3 | 118.6° | 120.0° |
| N1 | C1 | C3 | H3 | 119.9° | 120.0° |
| N1 | C1 | C2 | O1 | 127.8° | 20.1° |
| N1 | C1 | C3 | C4 | 44.9° | 60.0° |
| N1 | C1 | C3 | C5 | 166.7° | 180.0° |
| N1 | C1 | C3 | H4 | 73.7° | 59.9° |
| N1 | C1 | C2 | N2 | 51.5° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 60.1° |
| H1 | N1 | C1 | C3 | 57.8° | 60.0° |
| H1 | N1 | C1 | H3 | 61.7° | 180.0° |
| H2 | N1 | C1 | C2 | 60.0° | 176.0° |
| H2 | N1 | C1 | C3 | 177.8° | 64.0° |
| H2 | N1 | C1 | H3 | 58.3° | 56.1° |
| C2 | C1 | C3 | H3 | 118.9° | 120.0° |
| C1 | C2 | O1 | N2 | 179.3° | 179.9° |
| C2 | C1 | C3 | C4 | 166.1° | 180.0° |
| C2 | C1 | C3 | C5 | 72.1° | 60.0° |
| C2 | C1 | C3 | H4 | 47.4° | 60.1° |
| C1 | C2 | N2 | C7 | 174.0° | 179.9° |
| C1 | C2 | N2 | H13 | 6.0° | 0.1° |
| C3 | C1 | C2 | O1 | 5.2° | 100.0° |
| C1 | C3 | C4 | C5 | 122.2° | 120.0° |
| C1 | C3 | C4 | H4 | 118.5° | 120.0° |
| C1 | C3 | C5 | H4 | 119.4° | 120.1° |
| C1 | C3 | C4 | C6 | 55.1° | 175.0° |
| C1 | C3 | C4 | H5 | 65.4° | 65.1° |
| C1 | C3 | C4 | H6 | 175.7° | 55.0° |
| C1 | C3 | C5 | H7 | 180.0° | 180.0° |
| C1 | C3 | C5 | H8 | 60.0° | 60.0° |
| C1 | C3 | C5 | H9 | 60.0° | 60.0° |
| C3 | C1 | C2 | N2 | 174.2° | 79.9° |
| H3 | C1 | C2 | O1 | 113.5° | 140.0° |
| H3 | C1 | C3 | C4 | 75.0° | 60.1° |
| H3 | C1 | C3 | C5 | 46.8° | 60.0° |
| H3 | C1 | C3 | H4 | 166.3° | 180.0° |
| H3 | C1 | C2 | N2 | 67.1° | 40.0° |
| O1 | C2 | N2 | C7 | 5.3° | 0.0° |
| O1 | C2 | N2 | H13 | 174.7° | 180.0° |
| C4 | C3 | C5 | H4 | 119.3° | 119.9° |
| C3 | C4 | C6 | H5 | 120.6° | 119.9° |
| C3 | C4 | C6 | H6 | 120.6° | 120.1° |
| C3 | C4 | H5 | H6 | 118.2° | 120.1° |
| C4 | C3 | C5 | H7 | 58.7° | 60.0° |
| C4 | C3 | C5 | H8 | 178.7° | 180.0° |
| C4 | C3 | C5 | H9 | 61.3° | 60.0° |
| C3 | C4 | C6 | H10 | 180.0° | 60.1° |
| C3 | C4 | C6 | H11 | 60.0° | 59.9° |
| C3 | C4 | C6 | H12 | 60.0° | 180.0° |
| C5 | C3 | C4 | C6 | 67.0° | 64.9° |
| C5 | C3 | C4 | H5 | 172.4° | 55.0° |
| C5 | C3 | C4 | H6 | 53.5° | 175.0° |
| C3 | C5 | H7 | H8 | 120.0° | 119.9° |
| C3 | C5 | H7 | H9 | 120.0° | 120.0° |
| C3 | C5 | H8 | H9 | 120.0° | 120.0° |
| H4 | C3 | C4 | C6 | 173.6° | 55.1° |
| H4 | C3 | C4 | H5 | 53.1° | 175.0° |
| H4 | C3 | C4 | H6 | 65.8° | 65.0° |
| H4 | C3 | C5 | H7 | 60.6° | 59.9° |
| H4 | C3 | C5 | H8 | 59.4° | 60.0° |
| H4 | C3 | C5 | H9 | 179.4° | 179.9° |
| C6 | C4 | H5 | H6 | 118.2° | 120.0° |
| C4 | C6 | H10 | H11 | 120.0° | 120.0° |
| C4 | C6 | H10 | H12 | 120.0° | 119.9° |
| C4 | C6 | H11 | H12 | 120.0° | 120.0° |
| H5 | C4 | C6 | H10 | 59.4° | 180.0° |
| H5 | C4 | C6 | H11 | 179.4° | 60.0° |
| H5 | C4 | C6 | H12 | 60.6° | 60.1° |
| H6 | C4 | C6 | H10 | 59.4° | 60.0° |
| H6 | C4 | C6 | H11 | 60.6° | 180.0° |
| H6 | C4 | C6 | H12 | 179.5° | 60.0° |
| H7 | C5 | H8 | H9 | 120.1° | 120.0° |
| H10 | C6 | H11 | H12 | 120.0° | 120.1° |
| C7 | N2 | H13 | C2 | 180.0° | 180.0° |
| N2 | C7 | C8 | C9 | 122.6° | 119.9° |
| N2 | C7 | C8 | H14 | 119.2° | 120.0° |
| N2 | C7 | C9 | H14 | 119.6° | 120.0° |
| N2 | C7 | C8 | O2 | 6.4° | 4.9° |
| N2 | C7 | C9 | O3 | 106.9° | 60.0° |
| N2 | C7 | C9 | C10 | 13.5° | 60.0° |
| N2 | C7 | C9 | H15 | 132.6° | 180.0° |
| N2 | C7 | C8 | N3 | 174.7° | 175.1° |
| H13 | N2 | C7 | C8 | 70.9° | 25.0° |
| H13 | N2 | C7 | C9 | 52.0° | 95.0° |
| H13 | N2 | C7 | H14 | 170.6° | 145.0° |
| C8 | C7 | C9 | H14 | 118.4° | 120.0° |
| C7 | C8 | O2 | N3 | 178.9° | 180.0° |
| C8 | C7 | C9 | O3 | 15.2° | 60.0° |
| C8 | C7 | C9 | C10 | 135.5° | 180.0° |
| C8 | C7 | C9 | H15 | 105.3° | 60.0° |
| C7 | C8 | N3 | C11 | 174.7° | 175.6° |
| C7 | C8 | N3 | H20 | 5.2° | 4.5° |
| C8 | C7 | N2 | C2 | 109.1° | 155.0° |
| C9 | C7 | C8 | O2 | 129.0° | 115.0° |
| C7 | C9 | O3 | C10 | 122.7° | 120.0° |
| C7 | C9 | O3 | H15 | 119.5° | 120.0° |
| C7 | C9 | C10 | H15 | 118.9° | 120.0° |
| C7 | C9 | O3 | H16 | 180.0° | 60.0° |
| C7 | C9 | C10 | H17 | 180.0° | 56.3° |
| C7 | C9 | C10 | H18 | 60.0° | 176.3° |
| C7 | C9 | C10 | H19 | 60.0° | 63.8° |
| C9 | C7 | N2 | C2 | 128.0° | 85.0° |
| C9 | C7 | C8 | N3 | 52.0° | 65.0° |
| H14 | C7 | C8 | O2 | 112.8° | 124.9° |
| H14 | C7 | C9 | O3 | 133.5° | 180.0° |
| H14 | C7 | C9 | C10 | 106.1° | 60.0° |
| H14 | C7 | C9 | H15 | 13.1° | 60.0° |
| H14 | C7 | N2 | C2 | 9.4° | 35.0° |
| H14 | C7 | C8 | N3 | 66.1° | 55.1° |
| O2 | C8 | N3 | C11 | 6.4° | 4.4° |
| O2 | C8 | N3 | H20 | 173.7° | 175.5° |
| O3 | C9 | C10 | H15 | 118.5° | 120.0° |
| O3 | C9 | C10 | H17 | 57.5° | 63.7° |
| O3 | C9 | C10 | H18 | 177.5° | 56.3° |
| O3 | C9 | C10 | H19 | 62.5° | 176.2° |
| C10 | C9 | O3 | H16 | 57.3° | 180.0° |
| C9 | C10 | H17 | H18 | 120.0° | 120.0° |
| C9 | C10 | H17 | H19 | 120.0° | 120.0° |
| C9 | C10 | H18 | H19 | 120.0° | 119.9° |
| H15 | C9 | O3 | H16 | 60.5° | 60.0° |
| H15 | C9 | C10 | H17 | 61.0° | 176.2° |
| H15 | C9 | C10 | H18 | 58.9° | 63.7° |
| H15 | C9 | C10 | H19 | 178.9° | 56.2° |
| H17 | C10 | H18 | H19 | 120.0° | 120.0° |
| C11 | N3 | H20 | C8 | 180.0° | 179.9° |
| N3 | C11 | C12 | C13 | 121.8° | 120.0° |
| N3 | C11 | C12 | H21 | 119.5° | 120.0° |
| N3 | C11 | C13 | H21 | 119.8° | 120.0° |
| N3 | C11 | C12 | O4 | 147.5° | 0.0° |
| N3 | C11 | C13 | C14 | 174.5° | 65.0° |
| N3 | C11 | C13 | H22 | 53.9° | 55.0° |
| N3 | C11 | C13 | H23 | 64.9° | 175.0° |
| N3 | C11 | C12 | N4 | 32.6° | 180.0° |
| H20 | N3 | C11 | C12 | 125.9° | 24.9° |
| H20 | N3 | C11 | C13 | 4.0° | 95.0° |
| H20 | N3 | C11 | H21 | 115.2° | 144.9° |
| C12 | C11 | C13 | H21 | 118.7° | 119.9° |
| C11 | C12 | O4 | N4 | 180.0° | 180.0° |
| C12 | C11 | C13 | C14 | 64.0° | 175.0° |
| C12 | C11 | C13 | H22 | 175.4° | 65.0° |
| C12 | C11 | C13 | H23 | 56.6° | 55.0° |
| C11 | C12 | N4 | H29 | 3.4° | 0.0° |
| C11 | C12 | N4 | C21 | 176.6° | 180.0° |
| C12 | C11 | N3 | C8 | 54.1° | 155.0° |
| C13 | C11 | C12 | O4 | 90.7° | 120.0° |
| C11 | C13 | C14 | H22 | 120.6° | 120.0° |
| C11 | C13 | C14 | H23 | 120.6° | 120.0° |
| C11 | C13 | H22 | H23 | 118.1° | 120.0° |
| C11 | C13 | C14 | C15 | 56.6° | 90.0° |
| C11 | C13 | C14 | C16 | 123.2° | 90.2° |
| C13 | C11 | N3 | C8 | 175.9° | 85.0° |
| C13 | C11 | C12 | N4 | 89.2° | 60.0° |
| H21 | C11 | C12 | O4 | 27.9° | 120.1° |
| H21 | C11 | C13 | C14 | 54.7° | 55.1° |
| H21 | C11 | C13 | H22 | 65.9° | 175.1° |
| H21 | C11 | C13 | H23 | 175.3° | 65.0° |
| H21 | C11 | N3 | C8 | 64.9° | 35.0° |
| H21 | C11 | C12 | N4 | 152.1° | 60.0° |
| O4 | C12 | N4 | H29 | 176.5° | 179.9° |
| O4 | C12 | N4 | C21 | 3.4° | 0.0° |
| C14 | C13 | H22 | H23 | 118.1° | 120.0° |
| C13 | C14 | C15 | C16 | 179.8° | 179.8° |
| C13 | C14 | C15 | C17 | 179.8° | 180.0° |
| C13 | C14 | C15 | H24 | 0.2° | 0.0° |
| C13 | C14 | C16 | C18 | 179.8° | 180.0° |
| C13 | C14 | C16 | H25 | 0.2° | 0.1° |
| H22 | C13 | C14 | C15 | 64.0° | 30.1° |
| H22 | C13 | C14 | C16 | 116.2° | 149.7° |
| H23 | C13 | C14 | C15 | 177.2° | 150.0° |
| H23 | C13 | C14 | C16 | 2.5° | 29.8° |
| C14 | C15 | C17 | H24 | 180.0° | 180.0° |
| C15 | C14 | C16 | C18 | 0.0° | 0.2° |
| C15 | C14 | C16 | H25 | 180.0° | 179.7° |
| C14 | C15 | C17 | C19 | 0.1° | 0.0° |
| C14 | C15 | C17 | H26 | 179.9° | 180.0° |
| C16 | C14 | C15 | C17 | 0.0° | 0.2° |
| C16 | C14 | C15 | H24 | 180.0° | 179.7° |
| C14 | C16 | C18 | H25 | 180.0° | 179.9° |
| C14 | C16 | C18 | C19 | 0.0° | 0.0° |
| C14 | C16 | C18 | H27 | 180.0° | 179.9° |
| C15 | C17 | C19 | H26 | 180.0° | 179.9° |
| C15 | C17 | C19 | C18 | 0.1° | 0.3° |
| C15 | C17 | C19 | H28 | 179.9° | 180.0° |
| H24 | C15 | C17 | C19 | 179.9° | 180.0° |
| H24 | C15 | C17 | H26 | 0.1° | 0.1° |
| C16 | C18 | C19 | C17 | 0.1° | 0.3° |
| C16 | C18 | C19 | H27 | 180.0° | 180.0° |
| C16 | C18 | C19 | H28 | 180.0° | 180.0° |
| H25 | C16 | C18 | C19 | 179.9° | 180.0° |
| H25 | C16 | C18 | H27 | 0.1° | 0.0° |
| C17 | C19 | C18 | H28 | 180.0° | 179.7° |
| C17 | C19 | C18 | H27 | 179.9° | 179.7° |
| H26 | C17 | C19 | C18 | 179.9° | 179.8° |
| H26 | C17 | C19 | H28 | 0.1° | 0.1° |
| H27 | C18 | C19 | H28 | 0.0° | 0.0° |
| C20 | C21 | N4 | H29 | 127.7° | 120.0° |
| C21 | C20 | O5 | N5 | 178.3° | 179.7° |
| C20 | C21 | N4 | C22 | 117.9° | 120.0° |
| C20 | C21 | N4 | C26 | 121.0° | 120.0° |
| C20 | C21 | C22 | C26 | 122.8° | 120.0° |
| C20 | C21 | C22 | H30 | 142.8° | 71.5° |
| C20 | C21 | C22 | H31 | 24.1° | 168.5° |
| C20 | C21 | C22 | C25 | 96.5° | 48.4° |
| C20 | C21 | C26 | H38 | 180.0° | 60.0° |
| C20 | C21 | C26 | H39 | 60.0° | 180.0° |
| C20 | C21 | C26 | H40 | 60.0° | 60.0° |
| C21 | C20 | N5 | C27 | 177.2° | 178.9° |
| C21 | C20 | N5 | H41 | 2.8° | 1.2° |
| C20 | C21 | N4 | C12 | 52.3° | 60.0° |
| H29 | N4 | C21 | C12 | 180.0° | 179.9° |
| H29 | N4 | C21 | C22 | 9.7° | 0.0° |
| H29 | N4 | C21 | C26 | 111.3° | 120.0° |
| O5 | C20 | C21 | N4 | 118.0° | 61.3° |
| O5 | C20 | C21 | C22 | 124.2° | 58.8° |
| O5 | C20 | C21 | C26 | 2.1° | 178.8° |
| O5 | C20 | N5 | C27 | 4.5° | 0.7° |
| O5 | C20 | N5 | H41 | 175.6° | 179.1° |
| N4 | C21 | C22 | C26 | 121.0° | 120.0° |
| N4 | C21 | C22 | H30 | 26.6° | 168.5° |
| N4 | C21 | C22 | H31 | 92.1° | 48.4° |
| N4 | C21 | C22 | C25 | 147.3° | 71.6° |
| N4 | C21 | C26 | H38 | 62.0° | 60.1° |
| N4 | C21 | C26 | H39 | 178.0° | 60.0° |
| N4 | C21 | C26 | H40 | 58.0° | 180.0° |
| N4 | C21 | C20 | N5 | 60.4° | 119.1° |
| C21 | C22 | H30 | H31 | 117.9° | 120.1° |
| C21 | C22 | H30 | C25 | 124.2° | 119.9° |
| C21 | C22 | H31 | C25 | 124.2° | 119.9° |
| C21 | C22 | C25 | C23 | 70.6° | 166.8° |
| C21 | C22 | C25 | H36 | 168.6° | 46.8° |
| C21 | C22 | C25 | H37 | 50.1° | 73.1° |
| C22 | C21 | C26 | H38 | 58.4° | 180.0° |
| C22 | C21 | C26 | H39 | 61.6° | 60.0° |
| C22 | C21 | C26 | H40 | 178.4° | 60.0° |
| C22 | C21 | N4 | C12 | 170.3° | 180.0° |
| C22 | C21 | C20 | N5 | 57.4° | 120.9° |
| H30 | C22 | H31 | C25 | 117.9° | 120.0° |
| H30 | C22 | C25 | C23 | 168.7° | 73.2° |
| H30 | C22 | C25 | H36 | 47.9° | 166.7° |
| H30 | C22 | C25 | H37 | 70.6° | 46.9° |
| H30 | C22 | C21 | C26 | 94.4° | 48.5° |
| H31 | C22 | C25 | C23 | 50.1° | 46.8° |
| H31 | C22 | C25 | H36 | 70.7° | 73.2° |
| H31 | C22 | C25 | H37 | 170.8° | 166.9° |
| H31 | C22 | C21 | C26 | 147.0° | 71.5° |
| C25 | C23 | H32 | H33 | 117.3° | 120.1° |
| C25 | C23 | H32 | C24 | 125.4° | 120.0° |
| C25 | C23 | H33 | C24 | 125.4° | 119.9° |
| C25 | C23 | C24 | H34 | 97.8° | 108.4° |
| C25 | C23 | C24 | H35 | 19.2° | 11.6° |
| C23 | C25 | C22 | H36 | 120.8° | 120.0° |
| C23 | C25 | C22 | H37 | 120.8° | 120.1° |
| C23 | C25 | H36 | H37 | 117.8° | 120.1° |
| C25 | C23 | C24 | C47 | 140.7° | 131.6° |
| H32 | C23 | H33 | C24 | 117.3° | 120.0° |
| H32 | C23 | C24 | H34 | 141.3° | 11.7° |
| H32 | C23 | C24 | H35 | 101.7° | 131.6° |
| H32 | C23 | C25 | C22 | 89.0° | 59.2° |
| H32 | C23 | C25 | H36 | 150.3° | 60.7° |
| H32 | C23 | C25 | H37 | 31.8° | 179.3° |
| H32 | C23 | C24 | C47 | 19.8° | 108.4° |
| H33 | C23 | C24 | H34 | 23.0° | 131.7° |
| H33 | C23 | C24 | H35 | 140.1° | 108.4° |
| H33 | C23 | C25 | C22 | 152.7° | 60.8° |
| H33 | C23 | C25 | H36 | 32.0° | 179.2° |
| H33 | C23 | C25 | H37 | 86.5° | 59.2° |
| H33 | C23 | C24 | C47 | 98.4° | 11.6° |
| C23 | C24 | H34 | H35 | 115.3° | 120.0° |
| C23 | C24 | H34 | C47 | 129.4° | 120.1° |
| C23 | C24 | H35 | C47 | 129.4° | 120.1° |
| C24 | C23 | C25 | C22 | 31.9° | 179.3° |
| C24 | C23 | C25 | H36 | 88.9° | 59.3° |
| C24 | C23 | C25 | H37 | 152.6° | 60.7° |
| C23 | C24 | C47 | C46 | 0.1° | 160.4° |
| C23 | C24 | C47 | H73 | 121.5° | 40.3° |
| C23 | C24 | C47 | H74 | 121.6° | 79.6° |
| H34 | C24 | H35 | C47 | 115.3° | 120.0° |
| H34 | C24 | C47 | C46 | 121.4° | 79.6° |
| H34 | C24 | C47 | H73 | 117.0° | 160.3° |
| H34 | C24 | C47 | H74 | 0.1° | 40.4° |
| H35 | C24 | C47 | C46 | 121.5° | 40.3° |
| H35 | C24 | C47 | H73 | 0.0° | 79.7° |
| H35 | C24 | C47 | H74 | 116.9° | 160.3° |
| C22 | C25 | H36 | H37 | 117.7° | 119.9° |
| C25 | C22 | C21 | C26 | 26.3° | 168.5° |
| C21 | C26 | H38 | H39 | 120.0° | 120.0° |
| C21 | C26 | H38 | H40 | 120.0° | 120.0° |
| C21 | C26 | H39 | H40 | 120.0° | 120.0° |
| C26 | C21 | N4 | C12 | 68.7° | 60.1° |
| C26 | C21 | C20 | N5 | 179.5° | 0.9° |
| H38 | C26 | H39 | H40 | 120.0° | 120.0° |
| C27 | N5 | H41 | C20 | 180.0° | 179.9° |
| N5 | C27 | C28 | C29 | 122.8° | 120.0° |
| N5 | C27 | C28 | H42 | 119.5° | 119.9° |
| N5 | C27 | C29 | H42 | 119.3° | 120.0° |
| N5 | C27 | C28 | O6 | 144.4° | 1.1° |
| N5 | C27 | C29 | C30 | 62.0° | 65.0° |
| N5 | C27 | C29 | H43 | 58.5° | 55.0° |
| N5 | C27 | C29 | H44 | 177.5° | 175.0° |
| N5 | C27 | C28 | N6 | 35.3° | 179.0° |
| H41 | N5 | C27 | C28 | 123.0° | 87.8° |
| H41 | N5 | C27 | C29 | 0.8° | 32.2° |
| H41 | N5 | C27 | H42 | 118.0° | 152.3° |
| C28 | C27 | C29 | H42 | 117.8° | 120.1° |
| C27 | C28 | O6 | N6 | 179.8° | 179.9° |
| C28 | C27 | C29 | C30 | 175.1° | 175.1° |
| C28 | C27 | C29 | H43 | 64.4° | 64.8° |
| C28 | C27 | C29 | H44 | 54.6° | 55.1° |
| C27 | C28 | N6 | C31 | 176.7° | 179.0° |
| C27 | C28 | N6 | H46 | 3.3° | 0.9° |
| C28 | C27 | N5 | C20 | 57.0° | 92.4° |
| C29 | C27 | C28 | O6 | 92.8° | 118.9° |
| C27 | C29 | C30 | H43 | 120.5° | 120.0° |
| C27 | C29 | C30 | H44 | 120.5° | 120.0° |
| C27 | C29 | H43 | H44 | 118.5° | 119.9° |
| C27 | C29 | C30 | O7 | 97.5° | 0.0° |
| C27 | C29 | C30 | O8 | 83.0° | 180.0° |
| C29 | C27 | N5 | C20 | 179.3° | 147.6° |
| C29 | C27 | C28 | N6 | 87.4° | 61.0° |
| H42 | C27 | C28 | O6 | 25.0° | 121.0° |
| H42 | C27 | C29 | C30 | 57.3° | 55.0° |
| H42 | C27 | C29 | H43 | 177.8° | 175.1° |
| H42 | C27 | C29 | H44 | 63.2° | 65.0° |
| H42 | C27 | N5 | C20 | 62.0° | 27.6° |
| H42 | C27 | C28 | N6 | 154.8° | 59.1° |
| O6 | C28 | N6 | C31 | 3.1° | 1.1° |
| O6 | C28 | N6 | H46 | 176.9° | 179.0° |
| C30 | C29 | H43 | H44 | 118.5° | 120.1° |
| C29 | C30 | O7 | O8 | 179.5° | 180.0° |
| C29 | C30 | O8 | H45 | 179.5° | 180.0° |
| H43 | C29 | C30 | O7 | 23.0° | 120.0° |
| H43 | C29 | C30 | O8 | 156.5° | 60.0° |
| H44 | C29 | C30 | O7 | 142.0° | 120.0° |
| H44 | C29 | C30 | O8 | 37.5° | 60.0° |
| O7 | C30 | O8 | H45 | 0.0° | 0.0° |
| C31 | N6 | H46 | C28 | 180.0° | 179.9° |
| N6 | C31 | C32 | C33 | 122.0° | 119.8° |
| N6 | C31 | C32 | H47 | 119.8° | 119.8° |
| N6 | C31 | C33 | H47 | 119.8° | 120.3° |
| N6 | C31 | C32 | O9 | 132.6° | 9.3° |
| N6 | C31 | C33 | C34 | 121.8° | 169.2° |
| N6 | C31 | C33 | H48 | 1.0° | 49.2° |
| N6 | C31 | C33 | H49 | 117.3° | 70.8° |
| N6 | C31 | C32 | N7 | 47.3° | 170.7° |
| H46 | N6 | C31 | C32 | 119.1° | 82.8° |
| H46 | N6 | C31 | C33 | 2.4° | 157.4° |
| H46 | N6 | C31 | H47 | 121.7° | 37.0° |
| C32 | C31 | C33 | H47 | 118.2° | 120.4° |
| C31 | C32 | O9 | N7 | 179.8° | 180.0° |
| C32 | C31 | C33 | C34 | 116.2° | 71.5° |
| C32 | C31 | C33 | H48 | 122.9° | 168.5° |
| C32 | C31 | C33 | H49 | 4.6° | 48.5° |
| C31 | C32 | N7 | C37 | 178.3° | 180.0° |
| C31 | C32 | N7 | H57 | 1.8° | 0.1° |
| C32 | C31 | N6 | C28 | 60.9° | 97.1° |
| C33 | C31 | C32 | O9 | 105.5° | 110.5° |
| C31 | C33 | C34 | H48 | 120.8° | 120.0° |
| C31 | C33 | C34 | H49 | 120.8° | 120.0° |
| C31 | C33 | H48 | H49 | 117.4° | 120.0° |
| C31 | C33 | C34 | C35 | 48.1° | 63.5° |
| C31 | C33 | C34 | C36 | 75.2° | 176.5° |
| C31 | C33 | C34 | H50 | 166.4° | 56.5° |
| C33 | C31 | N6 | C28 | 177.6° | 22.7° |
| C33 | C31 | C32 | N7 | 74.7° | 69.5° |
| H47 | C31 | C32 | O9 | 12.8° | 129.1° |
| H47 | C31 | C33 | C34 | 2.0° | 48.9° |
| H47 | C31 | C33 | H48 | 118.9° | 71.1° |
| H47 | C31 | C33 | H49 | 122.8° | 168.9° |
| H47 | C31 | N6 | C28 | 58.3° | 143.1° |
| H47 | C31 | C32 | N7 | 167.1° | 50.9° |
| O9 | C32 | N7 | C37 | 1.6° | 0.0° |
| O9 | C32 | N7 | H57 | 178.4° | 179.9° |
| C34 | C33 | H48 | H49 | 117.4° | 120.0° |
| C33 | C34 | C35 | C36 | 123.1° | 120.0° |
| C33 | C34 | C35 | H50 | 118.2° | 119.9° |
| C33 | C34 | C36 | H50 | 118.4° | 120.0° |
| C33 | C34 | C35 | H51 | 180.0° | 64.8° |
| C33 | C34 | C35 | H52 | 60.0° | 175.3° |
| C33 | C34 | C35 | H53 | 60.0° | 55.3° |
| C33 | C34 | C36 | H54 | 180.0° | 60.0° |
| C33 | C34 | C36 | H55 | 60.0° | 180.0° |
| C33 | C34 | C36 | H56 | 60.0° | 60.0° |
| H48 | C33 | C34 | C35 | 169.0° | 56.5° |
| H48 | C33 | C34 | C36 | 45.7° | 63.5° |
| H48 | C33 | C34 | H50 | 72.8° | 176.5° |
| H49 | C33 | C34 | C35 | 72.7° | 176.5° |
| H49 | C33 | C34 | C36 | 164.0° | 56.5° |
| H49 | C33 | C34 | H50 | 45.5° | 63.5° |
| C35 | C34 | C36 | H50 | 118.8° | 120.0° |
| C34 | C35 | H51 | H52 | 120.0° | 119.9° |
| C34 | C35 | H51 | H53 | 120.0° | 120.1° |
| C34 | C35 | H52 | H53 | 120.0° | 120.0° |
| C35 | C34 | C36 | H54 | 57.2° | 180.0° |
| C35 | C34 | C36 | H55 | 62.8° | 60.0° |
| C35 | C34 | C36 | H56 | 177.2° | 60.0° |
| C36 | C34 | C35 | H51 | 56.9° | 55.3° |
| C36 | C34 | C35 | H52 | 176.9° | 64.6° |
| C36 | C34 | C35 | H53 | 63.1° | 175.3° |
| C34 | C36 | H54 | H55 | 120.0° | 120.0° |
| C34 | C36 | H54 | H56 | 120.0° | 120.0° |
| C34 | C36 | H55 | H56 | 120.0° | 120.0° |
| H50 | C34 | C35 | H51 | 61.8° | 175.3° |
| H50 | C34 | C35 | H52 | 58.2° | 55.4° |
| H50 | C34 | C35 | H53 | 178.2° | 64.6° |
| H50 | C34 | C36 | H54 | 61.6° | 60.0° |
| H50 | C34 | C36 | H55 | 178.4° | 60.0° |
| H50 | C34 | C36 | H56 | 58.4° | 180.0° |
| H51 | C35 | H52 | H53 | 120.0° | 120.0° |
| H54 | C36 | H55 | H56 | 120.0° | 120.0° |
| C37 | N7 | H57 | C32 | 180.0° | 179.9° |
| N7 | C37 | C38 | C39 | 123.1° | 119.7° |
| N7 | C37 | C38 | H58 | 119.4° | 119.8° |
| N7 | C37 | C39 | H58 | 118.9° | 120.5° |
| N7 | C37 | C38 | O10 | 127.8° | 0.1° |
| N7 | C37 | C39 | C40 | 78.2° | 62.1° |
| N7 | C37 | C39 | H59 | 42.7° | 57.9° |
| N7 | C37 | C39 | H60 | 161.0° | 177.9° |
| N7 | C37 | C38 | N8 | 51.0° | 179.9° |
| H57 | N7 | C37 | C38 | 120.5° | 107.9° |
| H57 | N7 | C37 | C39 | 2.3° | 11.8° |
| H57 | N7 | C37 | H58 | 120.6° | 132.4° |
| C38 | C37 | C39 | H58 | 117.6° | 120.4° |
| C37 | C38 | O10 | N8 | 178.7° | 180.0° |
| C38 | C37 | C39 | C40 | 158.3° | 178.8° |
| C38 | C37 | C39 | H59 | 80.8° | 61.2° |
| C38 | C37 | C39 | H60 | 37.5° | 58.8° |
| C37 | C38 | N8 | H68 | 1.6° | 4.0° |
| C37 | C38 | N8 | C44 | 178.4° | 176.0° |
| C38 | C37 | N7 | C32 | 59.5° | 72.2° |
| C39 | C37 | C38 | O10 | 109.1° | 119.8° |
| C37 | C39 | C40 | H59 | 120.9° | 120.0° |
| C37 | C39 | C40 | H60 | 120.8° | 120.0° |
| C37 | C39 | H59 | H60 | 117.4° | 120.0° |
| C37 | C39 | C40 | C41 | 171.7° | 175.7° |
| C37 | C39 | C40 | C42 | 66.5° | 64.3° |
| C37 | C39 | C40 | H61 | 52.6° | 55.7° |
| C39 | C37 | N7 | C32 | 177.7° | 168.1° |
| C39 | C37 | C38 | N8 | 72.1° | 60.1° |
| H58 | C37 | C38 | O10 | 8.4° | 119.7° |
| H58 | C37 | C39 | C40 | 40.7° | 58.3° |
| H58 | C37 | C39 | H59 | 161.6° | 178.3° |
| H58 | C37 | C39 | H60 | 80.1° | 61.7° |
| H58 | C37 | N7 | C32 | 59.4° | 47.5° |
| H58 | C37 | C38 | N8 | 170.4° | 60.4° |
| O10 | C38 | N8 | H68 | 177.1° | 176.0° |
| O10 | C38 | N8 | C44 | 2.9° | 4.0° |
| C40 | C39 | H59 | H60 | 117.4° | 120.0° |
| C39 | C40 | C41 | C42 | 122.4° | 119.9° |
| C39 | C40 | C41 | H61 | 119.0° | 120.0° |
| C39 | C40 | C42 | H61 | 118.9° | 120.0° |
| C39 | C40 | C41 | H62 | 180.0° | 175.1° |
| C39 | C40 | C41 | H63 | 60.0° | 55.0° |
| C39 | C40 | C41 | H64 | 60.0° | 65.0° |
| C39 | C40 | C42 | H65 | 180.0° | 60.0° |
| C39 | C40 | C42 | H66 | 60.0° | 180.0° |
| C39 | C40 | C42 | H67 | 60.0° | 60.0° |
| H59 | C39 | C40 | C41 | 50.8° | 55.7° |
| H59 | C39 | C40 | C42 | 172.7° | 175.7° |
| H59 | C39 | C40 | H61 | 68.3° | 64.3° |
| H60 | C39 | C40 | C41 | 67.5° | 64.2° |
| H60 | C39 | C40 | C42 | 54.4° | 55.7° |
| H60 | C39 | C40 | H61 | 173.4° | 175.7° |
| C41 | C40 | C42 | H61 | 118.6° | 120.0° |
| C40 | C41 | H62 | H63 | 120.0° | 120.0° |
| C40 | C41 | H62 | H64 | 120.0° | 120.0° |
| C40 | C41 | H63 | H64 | 120.0° | 120.0° |
| C41 | C40 | C42 | H65 | 57.5° | 180.0° |
| C41 | C40 | C42 | H66 | 62.5° | 60.0° |
| C41 | C40 | C42 | H67 | 177.5° | 60.0° |
| C42 | C40 | C41 | H62 | 57.6° | 65.0° |
| C42 | C40 | C41 | H63 | 177.5° | 175.0° |
| C42 | C40 | C41 | H64 | 62.5° | 55.0° |
| C40 | C42 | H65 | H66 | 120.0° | 120.0° |
| C40 | C42 | H65 | H67 | 120.0° | 120.0° |
| C40 | C42 | H66 | H67 | 120.0° | 120.0° |
| H61 | C40 | C41 | H62 | 61.0° | 55.1° |
| H61 | C40 | C41 | H63 | 59.0° | 65.0° |
| H61 | C40 | C41 | H64 | 179.0° | 175.0° |
| H61 | C40 | C42 | H65 | 61.1° | 60.0° |
| H61 | C40 | C42 | H66 | 178.9° | 60.0° |
| H61 | C40 | C42 | H67 | 58.9° | 180.0° |
| H62 | C41 | H63 | H64 | 120.0° | 120.0° |
| H65 | C42 | H66 | H67 | 120.0° | 120.0° |
| C43 | C44 | N8 | H68 | 119.0° | 44.0° |
| C44 | C43 | O11 | N9 | 179.6° | 180.0° |
| C43 | C44 | N8 | C45 | 120.4° | 119.9° |
| C43 | C44 | N8 | C49 | 119.7° | 120.2° |
| C43 | C44 | C45 | C49 | 118.5° | 120.2° |
| C43 | C44 | C45 | H69 | 82.3° | 170.9° |
| C43 | C44 | C45 | H70 | 36.7° | 50.8° |
| C43 | C44 | C45 | C48 | 157.2° | 69.1° |
| C43 | C44 | C49 | H77 | 180.0° | 75.4° |
| C43 | C44 | C49 | H78 | 60.0° | 164.5° |
| C43 | C44 | C49 | H79 | 60.0° | 44.5° |
| C44 | C43 | N9 | C50 | 179.6° | 180.0° |
| C44 | C43 | N9 | H80 | 0.4° | 0.1° |
| C43 | C44 | N8 | C38 | 61.0° | 136.0° |
| H68 | N8 | C44 | C38 | 180.0° | 180.0° |
| H68 | N8 | C44 | C45 | 1.4° | 75.8° |
| H68 | N8 | C44 | C49 | 121.3° | 164.2° |
| O11 | C43 | C44 | N8 | 152.2° | 145.0° |
| O11 | C43 | C44 | C45 | 85.8° | 25.5° |
| O11 | C43 | C44 | C49 | 32.3° | 94.8° |
| O11 | C43 | N9 | C50 | 0.0° | 0.0° |
| O11 | C43 | N9 | H80 | 180.0° | 180.0° |
| N8 | C44 | C45 | C49 | 120.6° | 119.9° |
| N8 | C44 | C45 | H69 | 38.6° | 51.0° |
| N8 | C44 | C45 | H70 | 157.6° | 69.0° |
| N8 | C44 | C45 | C48 | 81.9° | 171.0° |
| N8 | C44 | C49 | H77 | 60.0° | 44.8° |
| N8 | C44 | C49 | H78 | 180.0° | 75.2° |
| N8 | C44 | C49 | H79 | 60.0° | 164.8° |
| N8 | C44 | C43 | N9 | 28.1° | 35.0° |
| C44 | C45 | H69 | H70 | 118.5° | 120.1° |
| C44 | C45 | H69 | C48 | 123.0° | 120.0° |
| C44 | C45 | H70 | C48 | 123.0° | 120.0° |
| C44 | C45 | C48 | C46 | 90.8° | 150.1° |
| C44 | C45 | C48 | H75 | 29.5° | 89.8° |
| C44 | C45 | C48 | H76 | 148.8° | 30.1° |
| C45 | C44 | C49 | H77 | 61.7° | 164.3° |
| C45 | C44 | C49 | H78 | 58.3° | 44.3° |
| C45 | C44 | C49 | H79 | 178.3° | 75.7° |
| C45 | C44 | N8 | C38 | 178.6° | 104.2° |
| C45 | C44 | C43 | N9 | 93.8° | 154.5° |
| H69 | C45 | H70 | C48 | 118.5° | 120.0° |
| H69 | C45 | C48 | C46 | 29.6° | 30.1° |
| H69 | C45 | C48 | H75 | 150.0° | 150.2° |
| H69 | C45 | C48 | H76 | 90.7° | 89.9° |
| H69 | C45 | C44 | C49 | 159.2° | 68.9° |
| H70 | C45 | C48 | C46 | 148.6° | 89.9° |
| H70 | C45 | C48 | H75 | 91.0° | 30.2° |
| H70 | C45 | C48 | H76 | 28.3° | 150.2° |
| H70 | C45 | C44 | C49 | 81.8° | 171.1° |
| C48 | C46 | H71 | H72 | 118.4° | 119.9° |
| C48 | C46 | H71 | C47 | 123.3° | 120.1° |
| C48 | C46 | H72 | C47 | 123.3° | 120.1° |
| C48 | C46 | C47 | H73 | 82.6° | 29.6° |
| C48 | C46 | C47 | H74 | 34.3° | 90.4° |
| C46 | C48 | C45 | H75 | 120.4° | 120.0° |
| C46 | C48 | C45 | H76 | 120.4° | 120.0° |
| C46 | C48 | H75 | H76 | 118.8° | 120.0° |
| C48 | C46 | C47 | C24 | 155.9° | 149.6° |
| H71 | C46 | H72 | C47 | 118.4° | 120.0° |
| H71 | C46 | C47 | H73 | 156.9° | 149.6° |
| H71 | C46 | C47 | H74 | 86.2° | 29.7° |
| H71 | C46 | C48 | C45 | 167.9° | 123.8° |
| H71 | C46 | C48 | H75 | 47.5° | 3.7° |
| H71 | C46 | C48 | H76 | 71.7° | 116.3° |
| H71 | C46 | C47 | C24 | 35.4° | 90.3° |
| H72 | C46 | C47 | H73 | 38.0° | 90.4° |
| H72 | C46 | C47 | H74 | 154.8° | 149.6° |
| H72 | C46 | C48 | C45 | 49.0° | 3.8° |
| H72 | C46 | C48 | H75 | 71.4° | 116.2° |
| H72 | C46 | C48 | H76 | 169.3° | 123.8° |
| H72 | C46 | C47 | C24 | 83.6° | 29.6° |
| C46 | C47 | H73 | H74 | 114.9° | 120.0° |
| C46 | C47 | H73 | C24 | 130.1° | 120.1° |
| C46 | C47 | H74 | C24 | 130.1° | 120.0° |
| C47 | C46 | C48 | C45 | 71.6° | 116.2° |
| C47 | C46 | C48 | H75 | 168.0° | 123.8° |
| C47 | C46 | C48 | H76 | 48.8° | 3.8° |
| H73 | C47 | H74 | C24 | 114.9° | 120.0° |
| C45 | C48 | H75 | H76 | 118.8° | 120.0° |
| C48 | C45 | C44 | C49 | 38.7° | 51.1° |
| C44 | C49 | H77 | H78 | 120.0° | 120.0° |
| C44 | C49 | H77 | H79 | 120.0° | 120.0° |
| C44 | C49 | H78 | H79 | 120.0° | 120.0° |
| C49 | C44 | N8 | C38 | 58.7° | 15.8° |
| C49 | C44 | C43 | N9 | 148.1° | 85.2° |
| H77 | C49 | H78 | H79 | 120.0° | 120.0° |
| C50 | N9 | H80 | C43 | 180.0° | 180.0° |
| N9 | C50 | C51 | C52 | 123.2° | 120.0° |
| N9 | C50 | C51 | H81 | 119.4° | 120.0° |
| N9 | C50 | C52 | H81 | 119.0° | 120.0° |
| N9 | C50 | C51 | O12 | 135.4° | 0.0° |
| N9 | C50 | C52 | C53 | 171.4° | 65.0° |
| N9 | C50 | C52 | H82 | 68.0° | 55.0° |
| N9 | C50 | C52 | H83 | 50.8° | 175.0° |
| N9 | C50 | C51 | N10 | 47.0° | 180.0° |
| H80 | N9 | C50 | C51 | 110.0° | 25.0° |
| H80 | N9 | C50 | C52 | 12.7° | 95.0° |
| H80 | N9 | C50 | H81 | 131.1° | 145.0° |
| C51 | C50 | C52 | H81 | 117.5° | 120.0° |
| C50 | C51 | O12 | N10 | 177.5° | 180.0° |
| C51 | C50 | C52 | C53 | 48.0° | 175.0° |
| C51 | C50 | C52 | H82 | 168.6° | 64.9° |
| C51 | C50 | C52 | H83 | 72.6° | 55.1° |
| C50 | C51 | N10 | C59 | 177.9° | 180.0° |
| C50 | C51 | N10 | H89 | 2.1° | 0.0° |
| C51 | C50 | N9 | C43 | 70.0° | 155.0° |
| C52 | C50 | C51 | O12 | 101.5° | 120.0° |
| C50 | C52 | C53 | H82 | 120.6° | 120.0° |
| C50 | C52 | C53 | H83 | 120.6° | 120.0° |
| C50 | C52 | H82 | H83 | 118.1° | 120.0° |
| C50 | C52 | C53 | C54 | 77.2° | 90.0° |
| C50 | C52 | C53 | C55 | 102.1° | 90.3° |
| C52 | C50 | N9 | C43 | 167.3° | 85.0° |
| C52 | C50 | C51 | N10 | 76.2° | 60.0° |
| H81 | C50 | C51 | O12 | 16.0° | 120.0° |
| H81 | C50 | C52 | C53 | 69.5° | 55.0° |
| H81 | C50 | C52 | H82 | 51.1° | 175.0° |
| H81 | C50 | C52 | H83 | 169.9° | 65.0° |
| H81 | C50 | N9 | C43 | 48.9° | 35.0° |
| H81 | C50 | C51 | N10 | 166.3° | 60.0° |
| O12 | C51 | N10 | C59 | 4.5° | 0.0° |
| O12 | C51 | N10 | H89 | 175.5° | 180.0° |
| C53 | C52 | H82 | H83 | 118.1° | 120.0° |
| C52 | C53 | C54 | C55 | 179.4° | 179.7° |
| C52 | C53 | C54 | C56 | 179.4° | 180.0° |
| C52 | C53 | C54 | H84 | 0.6° | 0.0° |
| C52 | C53 | C55 | C57 | 179.3° | 180.0° |
| C52 | C53 | C55 | H85 | 0.6° | 0.1° |
| H82 | C52 | C53 | C54 | 43.4° | 30.0° |
| H82 | C52 | C53 | C55 | 137.3° | 149.7° |
| H83 | C52 | C53 | C54 | 162.2° | 150.0° |
| H83 | C52 | C53 | C55 | 18.5° | 29.7° |
| C53 | C54 | C56 | H84 | 180.0° | 180.0° |
| C54 | C53 | C55 | C57 | 0.0° | 0.3° |
| C54 | C53 | C55 | H85 | 180.0° | 179.8° |
| C53 | C54 | C56 | C58 | 0.0° | 0.0° |
| C53 | C54 | C56 | H86 | 180.0° | 180.0° |
| C55 | C53 | C54 | C56 | 0.1° | 0.3° |
| C55 | C53 | C54 | H84 | 179.9° | 179.7° |
| C53 | C55 | C57 | H85 | 180.0° | 179.9° |
| C53 | C55 | C57 | C58 | 0.1° | 0.0° |
| C53 | C55 | C57 | H87 | 179.9° | 180.0° |
| C54 | C56 | C58 | H86 | 180.0° | 180.0° |
| C54 | C56 | C58 | C57 | 0.1° | 0.3° |
| C54 | C56 | C58 | O13 | 180.0° | 180.0° |
| H84 | C54 | C56 | C58 | 179.9° | 180.0° |
| H84 | C54 | C56 | H86 | 0.0° | 0.1° |
| C55 | C57 | C58 | C56 | 0.2° | 0.3° |
| C55 | C57 | C58 | H87 | 180.0° | 179.9° |
| C55 | C57 | C58 | O13 | 180.0° | 180.0° |
| H85 | C55 | C57 | C58 | 179.9° | 179.9° |
| H85 | C55 | C57 | H87 | 0.1° | 0.1° |
| C56 | C58 | C57 | O13 | 179.9° | 179.8° |
| C56 | C58 | C57 | H87 | 179.8° | 179.7° |
| C56 | C58 | O13 | H88 | 180.0° | 90.0° |
| H86 | C56 | C58 | C57 | 179.9° | 179.7° |
| H86 | C56 | C58 | O13 | 0.0° | 0.1° |
| C57 | C58 | O13 | H88 | 0.2° | 89.7° |
| H87 | C57 | C58 | O13 | 0.0° | 0.1° |
| C59 | N10 | H89 | C51 | 180.0° | 180.0° |
| N10 | C59 | C60 | C61 | 124.0° | 120.0° |
| N10 | C59 | C60 | H90 | 118.7° | 120.0° |
| N10 | C59 | C61 | H90 | 118.0° | 120.0° |
| N10 | C59 | C60 | O14 | 143.0° | 0.1° |
| N10 | C59 | C61 | C62 | 76.5° | 65.0° |
| N10 | C59 | C61 | H91 | 44.0° | 55.0° |
| N10 | C59 | C61 | H92 | 162.9° | 175.0° |
| N10 | C59 | C60 | N11 | 36.9° | 180.0° |
| H89 | N10 | C59 | C60 | 106.8° | 25.0° |
| H89 | N10 | C59 | C61 | 17.5° | 95.0° |
| H89 | N10 | C59 | H90 | 135.0° | 145.0° |
| C60 | C59 | C61 | H90 | 117.4° | 120.0° |
| C59 | C60 | O14 | N11 | 179.9° | 179.9° |
| C60 | C59 | C61 | C62 | 158.8° | 175.0° |
| C60 | C59 | C61 | H91 | 80.7° | 65.0° |
| C60 | C59 | C61 | H92 | 38.3° | 55.0° |
| C59 | C60 | N11 | C68 | 177.5° | 180.0° |
| C59 | C60 | N11 | H98 | 2.5° | 0.1° |
| C60 | C59 | N10 | C51 | 73.2° | 155.0° |
| C61 | C59 | C60 | O14 | 93.0° | 119.9° |
| C59 | C61 | C62 | H91 | 120.5° | 120.0° |
| C59 | C61 | C62 | H92 | 120.5° | 119.9° |
| C59 | C61 | H91 | H92 | 118.5° | 120.0° |
| C59 | C61 | C62 | C63 | 87.6° | 90.0° |
| C59 | C61 | C62 | C64 | 91.5° | 90.3° |
| C61 | C59 | N10 | C51 | 162.5° | 85.0° |
| C61 | C59 | C60 | N11 | 87.0° | 60.0° |
| H90 | C59 | C60 | O14 | 24.3° | 120.0° |
| H90 | C59 | C61 | C62 | 41.5° | 55.0° |
| H90 | C59 | C61 | H91 | 162.0° | 175.0° |
| H90 | C59 | C61 | H92 | 79.0° | 65.0° |
| H90 | C59 | N10 | C51 | 45.0° | 35.1° |
| H90 | C59 | C60 | N11 | 155.6° | 60.1° |
| O14 | C60 | N11 | C68 | 2.6° | 0.1° |
| O14 | C60 | N11 | H98 | 177.4° | 180.0° |
| C62 | C61 | H91 | H92 | 118.5° | 120.0° |
| C61 | C62 | C63 | C64 | 179.1° | 179.7° |
| C61 | C62 | C63 | C65 | 179.3° | 180.0° |
| C61 | C62 | C63 | H93 | 0.7° | 0.1° |
| C61 | C62 | C64 | C66 | 179.2° | 180.0° |
| C61 | C62 | C64 | H94 | 0.8° | 0.1° |
| H91 | C61 | C62 | C63 | 32.9° | 30.0° |
| H91 | C61 | C62 | C64 | 148.1° | 149.7° |
| H92 | C61 | C62 | C63 | 151.9° | 150.0° |
| H92 | C61 | C62 | C64 | 29.0° | 29.6° |
| C62 | C63 | C65 | H93 | 180.0° | 180.0° |
| C63 | C62 | C64 | C66 | 0.2° | 0.3° |
| C63 | C62 | C64 | H94 | 179.9° | 179.7° |
| C62 | C63 | C65 | C67 | 0.3° | 0.0° |
| C62 | C63 | C65 | H95 | 179.7° | 180.0° |
| C64 | C62 | C63 | C65 | 0.3° | 0.3° |
| C64 | C62 | C63 | H93 | 179.7° | 179.7° |
| C62 | C64 | C66 | H94 | 180.0° | 179.9° |
| C62 | C64 | C66 | C67 | 0.0° | 0.0° |
| C62 | C64 | C66 | H96 | 179.9° | 180.0° |
| C63 | C65 | C67 | H95 | 180.0° | 180.0° |
| C63 | C65 | C67 | C66 | 0.1° | 0.3° |
| C63 | C65 | C67 | O15 | 179.6° | 180.0° |
| H93 | C63 | C65 | C67 | 179.7° | 180.0° |
| H93 | C63 | C65 | H95 | 0.3° | 0.0° |
| C64 | C66 | C67 | C65 | 0.0° | 0.3° |
| C64 | C66 | C67 | H96 | 180.0° | 179.9° |
| C64 | C66 | C67 | O15 | 179.7° | 180.0° |
| H94 | C64 | C66 | C67 | 180.0° | 180.0° |
| H94 | C64 | C66 | H96 | 0.0° | 0.1° |
| C65 | C67 | C66 | O15 | 179.7° | 179.8° |
| C65 | C67 | C66 | H96 | 180.0° | 179.7° |
| C65 | C67 | O15 | H97 | 180.0° | 90.0° |
| H95 | C65 | C67 | C66 | 179.9° | 179.8° |
| H95 | C65 | C67 | O15 | 0.4° | 0.0° |
| C66 | C67 | O15 | H97 | 0.3° | 89.7° |
| H96 | C66 | C67 | O15 | 0.3° | 0.1° |
| C68 | N11 | H98 | C60 | 180.0° | 180.0° |
| N11 | C68 | C69 | H99 | 120.6° | 120.0° |
| N11 | C68 | C69 | H100 | 120.6° | 120.0° |
| N11 | C68 | H99 | H100 | 118.2° | 120.1° |
| N11 | C68 | C69 | O16 | 136.0° | 0.0° |
| N11 | C68 | C69 | N12 | 44.2° | 180.0° |
| H98 | N11 | C68 | C69 | 101.5° | 0.0° |
| H98 | N11 | C68 | H99 | 138.0° | 119.9° |
| H98 | N11 | C68 | H100 | 19.1° | 120.0° |
| C69 | C68 | H99 | H100 | 118.3° | 120.0° |
| C68 | C69 | O16 | N12 | 179.8° | 180.0° |
| C68 | C69 | N12 | C70 | 178.4° | 180.0° |
| C68 | C69 | N12 | H101 | 1.6° | 0.0° |
| C69 | C68 | N11 | C60 | 78.5° | 180.0° |
| H99 | C68 | C69 | O16 | 15.4° | 120.0° |
| H99 | C68 | N11 | C60 | 42.1° | 60.1° |
| H99 | C68 | C69 | N12 | 164.8° | 60.0° |
| H100 | C68 | C69 | O16 | 103.4° | 120.0° |
| H100 | C68 | N11 | C60 | 160.9° | 60.0° |
| H100 | C68 | C69 | N12 | 76.3° | 60.0° |
| O16 | C69 | N12 | C70 | 1.3° | 0.0° |
| O16 | C69 | N12 | H101 | 178.7° | 180.0° |
| C70 | N12 | H101 | C69 | 180.0° | 179.9° |
| N12 | C70 | C71 | C72 | 121.3° | 120.0° |
| N12 | C70 | C71 | H102 | 119.8° | 120.0° |
| N12 | C70 | C72 | H102 | 120.7° | 120.0° |
| N12 | C70 | C71 | O17 | 21.8° | 0.1° |
| N12 | C70 | C72 | C73 | 50.2° | 65.0° |
| N12 | C70 | C72 | H103 | 70.5° | 55.0° |
| N12 | C70 | C72 | H104 | 170.9° | 175.0° |
| N12 | C70 | C71 | N14 | 158.9° | 180.0° |
| H101 | N12 | C70 | C71 | 54.7° | 24.9° |
| H101 | N12 | C70 | C72 | 66.1° | 95.1° |
| H101 | N12 | C70 | H102 | 173.9° | 145.0° |
| C71 | C70 | C72 | H102 | 119.0° | 120.0° |
| C70 | C71 | O17 | N14 | 179.2° | 179.9° |
| C71 | C70 | C72 | C73 | 170.5° | 175.0° |
| C71 | C70 | C72 | H103 | 49.9° | 65.0° |
| C71 | C70 | C72 | H104 | 68.8° | 55.0° |
| C70 | C71 | N14 | C76 | 178.8° | 180.0° |
| C70 | C71 | N14 | H114 | 1.2° | 0.0° |
| C71 | C70 | N12 | C69 | 125.3° | 155.0° |
| C72 | C70 | C71 | O17 | 143.1° | 120.0° |
| C70 | C72 | C73 | H103 | 120.7° | 120.0° |
| C70 | C72 | C73 | H104 | 120.7° | 120.0° |
| C70 | C72 | H103 | H104 | 118.0° | 120.0° |
| C70 | C72 | C73 | C74 | 162.4° | 180.0° |
| C70 | C72 | C73 | H105 | 42.1° | 60.0° |
| C70 | C72 | C73 | H106 | 77.3° | 60.0° |
| C72 | C70 | N12 | C69 | 113.9° | 85.0° |
| C72 | C70 | C71 | N14 | 37.6° | 60.0° |
| H102 | C70 | C71 | O17 | 98.0° | 120.0° |
| H102 | C70 | C72 | C73 | 70.5° | 55.0° |
| H102 | C70 | C72 | H103 | 168.9° | 175.0° |
| H102 | C70 | C72 | H104 | 50.2° | 65.0° |
| H102 | C70 | N12 | C69 | 6.1° | 35.0° |
| H102 | C70 | C71 | N14 | 81.3° | 59.9° |
| O17 | C71 | N14 | C76 | 1.9° | 0.0° |
| O17 | C71 | N14 | H114 | 178.1° | 180.0° |
| C73 | C72 | H103 | H104 | 117.9° | 120.0° |
| C72 | C73 | C74 | H105 | 120.3° | 120.0° |
| C72 | C73 | C74 | H106 | 120.3° | 120.0° |
| C72 | C73 | H105 | H106 | 119.1° | 120.0° |
| C72 | C73 | C74 | C75 | 69.7° | 180.0° |
| C72 | C73 | C74 | H107 | 170.0° | 60.0° |
| C72 | C73 | C74 | H108 | 50.6° | 60.0° |
| H103 | C72 | C73 | C74 | 76.9° | 60.0° |
| H103 | C72 | C73 | H105 | 162.8° | 180.0° |
| H103 | C72 | C73 | H106 | 43.4° | 60.0° |
| H104 | C72 | C73 | C74 | 41.7° | 60.0° |
| H104 | C72 | C73 | H105 | 78.6° | 60.0° |
| H104 | C72 | C73 | H106 | 162.0° | 180.0° |
| C74 | C73 | H105 | H106 | 119.1° | 120.0° |
| C73 | C74 | C75 | H107 | 120.3° | 120.1° |
| C73 | C74 | C75 | H108 | 120.3° | 120.0° |
| C73 | C74 | H107 | H108 | 119.1° | 120.0° |
| C73 | C74 | C75 | N13 | 64.3° | 180.0° |
| C73 | C74 | C75 | H109 | 175.3° | 59.9° |
| C73 | C74 | C75 | H110 | 56.1° | 60.1° |
| H105 | C73 | C74 | C75 | 50.6° | 59.9° |
| H105 | C73 | C74 | H107 | 69.7° | 180.0° |
| H105 | C73 | C74 | H108 | 170.9° | 60.0° |
| H106 | C73 | C74 | C75 | 170.0° | 60.1° |
| H106 | C73 | C74 | H107 | 49.7° | 60.0° |
| H106 | C73 | C74 | H108 | 69.7° | 180.0° |
| C75 | C74 | H107 | H108 | 119.1° | 120.0° |
| C74 | C75 | N13 | H109 | 120.4° | 120.1° |
| C74 | C75 | N13 | H110 | 120.4° | 119.9° |
| C74 | C75 | H109 | H110 | 118.9° | 119.9° |
| C74 | C75 | N13 | H111 | 180.0° | 60.0° |
| C74 | C75 | N13 | H112 | 60.0° | 60.1° |
| C74 | C75 | N13 | H113 | 60.0° | 180.0° |
| H107 | C74 | C75 | N13 | 56.0° | 60.0° |
| H107 | C74 | C75 | H109 | 64.4° | 180.0° |
| H107 | C74 | C75 | H110 | 176.4° | 60.0° |
| H108 | C74 | C75 | N13 | 175.4° | 60.0° |
| H108 | C74 | C75 | H109 | 55.1° | 60.0° |
| H108 | C74 | C75 | H110 | 64.2° | 180.0° |
| N13 | C75 | H109 | H110 | 118.9° | 120.0° |
| C75 | N13 | H111 | H112 | 120.0° | 120.0° |
| C75 | N13 | H111 | H113 | 120.0° | 120.0° |
| C75 | N13 | H112 | H113 | 120.0° | 120.0° |
| H109 | C75 | N13 | H111 | 59.7° | 180.0° |
| H109 | C75 | N13 | H112 | 179.6° | 60.0° |
| H109 | C75 | N13 | H113 | 60.4° | 60.0° |
| H110 | C75 | N13 | H111 | 59.6° | 59.9° |
| H110 | C75 | N13 | H112 | 60.4° | 180.0° |
| H110 | C75 | N13 | H113 | 179.6° | 60.0° |
| H111 | N13 | H112 | H113 | 120.0° | 120.0° |
| C76 | N14 | H114 | C71 | 180.0° | 180.0° |
| N14 | C76 | C77 | C78 | 123.5° | 120.0° |
| N14 | C76 | C77 | H115 | 119.3° | 119.9° |
| N14 | C76 | C78 | H115 | 118.7° | 120.0° |
| N14 | C76 | C77 | O18 | 139.8° | 0.1° |
| N14 | C76 | C78 | C79 | 81.4° | 65.0° |
| N14 | C76 | C78 | H116 | 39.2° | 55.0° |
| N14 | C76 | C78 | H117 | 158.0° | 175.0° |
| N14 | C76 | C77 | N16 | 39.3° | 180.0° |
| H114 | N14 | C76 | C77 | 35.7° | 25.1° |
| H114 | N14 | C76 | C78 | 87.2° | 95.0° |
| H114 | N14 | C76 | H115 | 154.6° | 145.0° |
| C77 | C76 | C78 | H115 | 117.2° | 120.0° |
| C76 | C77 | O18 | N16 | 179.0° | 179.9° |
| C77 | C76 | C78 | C79 | 154.6° | 175.0° |
| C77 | C76 | C78 | H116 | 84.8° | 65.0° |
| C77 | C76 | C78 | H117 | 34.0° | 55.0° |
| C76 | C77 | N16 | C82 | 173.2° | 180.0° |
| C76 | C77 | N16 | H127 | 6.8° | 0.0° |
| C77 | C76 | N14 | C71 | 144.3° | 154.9° |
| C78 | C76 | C77 | O18 | 16.3° | 120.0° |
| C76 | C78 | C79 | H116 | 120.6° | 120.0° |
| C76 | C78 | C79 | H117 | 120.6° | 120.0° |
| C76 | C78 | H116 | H117 | 118.1° | 120.0° |
| C76 | C78 | C79 | C80 | 179.1° | 180.0° |
| C76 | C78 | C79 | H118 | 60.5° | 60.0° |
| C76 | C78 | C79 | H119 | 58.7° | 60.0° |
| C78 | C76 | N14 | C71 | 92.8° | 85.0° |
| C78 | C76 | C77 | N16 | 162.8° | 60.0° |
| H115 | C76 | C77 | O18 | 100.9° | 120.0° |
| H115 | C76 | C78 | C79 | 37.3° | 55.0° |
| H115 | C76 | C78 | H116 | 157.9° | 175.0° |
| H115 | C76 | C78 | H117 | 83.3° | 65.0° |
| H115 | C76 | N14 | C71 | 25.4° | 35.0° |
| H115 | C76 | C77 | N16 | 80.0° | 60.1° |
| O18 | C77 | N16 | C82 | 7.8° | 0.0° |
| O18 | C77 | N16 | H127 | 172.2° | 180.0° |
| C79 | C78 | H116 | H117 | 118.2° | 120.0° |
| C78 | C79 | C80 | H118 | 120.4° | 120.0° |
| C78 | C79 | C80 | H119 | 120.4° | 120.0° |
| C78 | C79 | H118 | H119 | 118.9° | 120.0° |
| C78 | C79 | C80 | C81 | 171.6° | 180.0° |
| C78 | C79 | C80 | H120 | 68.1° | 60.0° |
| C78 | C79 | C80 | H121 | 51.3° | 60.0° |
| H116 | C78 | C79 | C80 | 58.6° | 60.0° |
| H116 | C78 | C79 | H118 | 178.9° | 180.0° |
| H116 | C78 | C79 | H119 | 61.8° | 60.0° |
| H117 | C78 | C79 | C80 | 60.3° | 60.0° |
| H117 | C78 | C79 | H118 | 60.1° | 59.9° |
| H117 | C78 | C79 | H119 | 179.3° | 180.0° |
| C80 | C79 | H118 | H119 | 118.9° | 120.0° |
| C79 | C80 | C81 | H120 | 120.3° | 120.0° |
| C79 | C80 | C81 | H121 | 120.3° | 119.9° |
| C79 | C80 | H120 | H121 | 119.2° | 119.9° |
| C79 | C80 | C81 | N15 | 55.8° | 180.0° |
| C79 | C80 | C81 | H122 | 176.2° | 59.9° |
| C79 | C80 | C81 | H123 | 64.6° | 60.0° |
| H118 | C79 | C80 | C81 | 51.3° | 60.0° |
| H118 | C79 | C80 | H120 | 171.5° | 179.9° |
| H118 | C79 | C80 | H121 | 69.0° | 60.0° |
| H119 | C79 | C80 | C81 | 68.0° | 60.0° |
| H119 | C79 | C80 | H120 | 52.2° | 60.0° |
| H119 | C79 | C80 | H121 | 171.7° | 180.0° |
| C81 | C80 | H120 | H121 | 119.2° | 120.1° |
| C80 | C81 | N15 | H122 | 120.4° | 120.1° |
| C80 | C81 | N15 | H123 | 120.4° | 119.9° |
| C80 | C81 | H122 | H123 | 118.7° | 120.0° |
| C80 | C81 | N15 | H124 | 180.0° | 180.0° |
| C80 | C81 | N15 | H125 | 60.0° | 60.0° |
| C80 | C81 | N15 | H126 | 60.0° | 60.1° |
| H120 | C80 | C81 | N15 | 64.4° | 60.0° |
| H120 | C80 | C81 | H122 | 56.0° | 180.0° |
| H120 | C80 | C81 | H123 | 175.1° | 60.0° |
| H121 | C80 | C81 | N15 | 176.1° | 60.1° |
| H121 | C80 | C81 | H122 | 63.5° | 60.0° |
| H121 | C80 | C81 | H123 | 55.6° | 180.0° |
| N15 | C81 | H122 | H123 | 118.7° | 120.0° |
| C81 | N15 | H124 | H125 | 120.0° | 120.0° |
| C81 | N15 | H124 | H126 | 120.0° | 120.0° |
| C81 | N15 | H125 | H126 | 120.0° | 120.0° |
| H122 | C81 | N15 | H124 | 59.6° | 60.0° |
| H122 | C81 | N15 | H125 | 179.6° | 180.0° |
| H122 | C81 | N15 | H126 | 60.5° | 60.0° |
| H123 | C81 | N15 | H124 | 59.6° | 60.0° |
| H123 | C81 | N15 | H125 | 60.4° | 60.0° |
| H123 | C81 | N15 | H126 | 179.6° | 180.0° |
| H124 | N15 | H125 | H126 | 120.0° | 120.0° |
| C82 | N16 | H127 | C77 | 180.0° | 180.0° |
| N16 | C82 | C83 | C84 | 123.6° | 119.9° |
| N16 | C82 | C83 | H128 | 118.8° | 120.0° |
| N16 | C82 | C84 | H128 | 120.0° | 120.0° |
| N16 | C82 | C83 | O19 | 76.8° | 0.0° |
| N16 | C82 | C83 | O20 | 102.9° | 180.0° |
| N16 | C82 | C84 | C85 | 157.0° | 65.1° |
| N16 | C82 | C84 | H129 | 36.4° | 55.0° |
| N16 | C82 | C84 | H130 | 82.4° | 175.0° |
| H127 | N16 | C82 | C83 | 3.3° | 95.0° |
| H127 | N16 | C82 | C84 | 125.5° | 25.0° |
| H127 | N16 | C82 | H128 | 115.0° | 145.0° |
| C83 | C82 | C84 | H128 | 117.6° | 120.0° |
| C82 | C83 | O19 | O20 | 179.7° | 180.0° |
| C83 | C82 | C84 | C85 | 80.6° | 175.0° |
| C83 | C82 | C84 | H129 | 158.9° | 64.9° |
| C83 | C82 | C84 | H130 | 40.0° | 55.0° |
| C82 | C83 | O20 | H140 | 179.7° | 180.0° |
| C83 | C82 | N16 | C77 | 176.7° | 85.0° |
| C84 | C82 | C83 | O19 | 46.8° | 119.9° |
| C84 | C82 | C83 | O20 | 133.5° | 60.0° |
| C82 | C84 | C85 | H129 | 120.6° | 120.1° |
| C82 | C84 | C85 | H130 | 120.5° | 119.9° |
| C82 | C84 | H129 | H130 | 118.3° | 119.9° |
| C82 | C84 | C85 | C86 | 59.0° | 179.9° |
| C82 | C84 | C85 | H131 | 179.3° | 60.0° |
| C82 | C84 | C85 | H132 | 61.3° | 60.1° |
| C84 | C82 | N16 | C77 | 54.5° | 155.0° |
| H128 | C82 | C83 | O19 | 164.4° | 120.0° |
| H128 | C82 | C83 | O20 | 15.9° | 60.0° |
| H128 | C82 | C84 | C85 | 37.0° | 55.0° |
| H128 | C82 | C84 | H129 | 83.5° | 175.1° |
| H128 | C82 | C84 | H130 | 157.6° | 65.0° |
| H128 | C82 | N16 | C77 | 65.0° | 35.0° |
| O19 | C83 | O20 | H140 | 0.0° | 0.0° |
| C85 | C84 | H129 | H130 | 118.3° | 120.0° |
| C84 | C85 | C86 | H131 | 120.3° | 120.0° |
| C84 | C85 | C86 | H132 | 120.2° | 120.0° |
| C84 | C85 | H131 | H132 | 119.2° | 120.0° |
| C84 | C85 | C86 | C87 | 62.6° | 180.0° |
| C84 | C85 | C86 | H133 | 177.1° | 60.0° |
| C84 | C85 | C86 | H134 | 57.7° | 60.0° |
| H129 | C84 | C85 | C86 | 61.6° | 60.0° |
| H129 | C84 | C85 | H131 | 58.7° | 179.9° |
| H129 | C84 | C85 | H132 | 178.2° | 60.0° |
| H130 | C84 | C85 | C86 | 179.5° | 60.0° |
| H130 | C84 | C85 | H131 | 60.2° | 60.0° |
| H130 | C84 | C85 | H132 | 59.3° | 180.0° |
| C86 | C85 | H131 | H132 | 119.2° | 120.0° |
| C85 | C86 | C87 | H133 | 120.3° | 119.9° |
| C85 | C86 | C87 | H134 | 120.3° | 120.0° |
| C85 | C86 | H133 | H134 | 119.1° | 120.0° |
| C85 | C86 | C87 | N17 | 168.8° | 180.0° |
| C85 | C86 | C87 | H135 | 48.4° | 60.1° |
| C85 | C86 | C87 | H136 | 70.8° | 60.0° |
| H131 | C85 | C86 | C87 | 57.7° | 60.0° |
| H131 | C85 | C86 | H133 | 62.6° | 180.0° |
| H131 | C85 | C86 | H134 | 178.0° | 60.0° |
| H132 | C85 | C86 | C87 | 177.2° | 60.0° |
| H132 | C85 | C86 | H133 | 56.9° | 60.0° |
| H132 | C85 | C86 | H134 | 62.5° | 180.0° |
| C87 | C86 | H133 | H134 | 119.1° | 120.0° |
| C86 | C87 | N17 | H135 | 120.4° | 120.0° |
| C86 | C87 | N17 | H136 | 120.4° | 120.0° |
| C86 | C87 | H135 | H136 | 118.7° | 120.0° |
| C86 | C87 | N17 | H137 | 180.0° | 60.0° |
| C86 | C87 | N17 | H138 | 60.0° | 59.9° |
| C86 | C87 | N17 | H139 | 60.0° | 180.0° |
| H133 | C86 | C87 | N17 | 70.9° | 60.0° |
| H133 | C86 | C87 | H135 | 168.7° | 180.0° |
| H133 | C86 | C87 | H136 | 49.5° | 60.0° |
| H134 | C86 | C87 | N17 | 48.5° | 60.0° |
| H134 | C86 | C87 | H135 | 71.9° | 60.0° |
| H134 | C86 | C87 | H136 | 168.9° | 180.0° |
| N17 | C87 | H135 | H136 | 118.7° | 120.0° |
| C87 | N17 | H137 | H138 | 120.0° | 120.0° |
| C87 | N17 | H137 | H139 | 120.0° | 120.0° |
| C87 | N17 | H138 | H139 | 120.0° | 120.1° |
| H135 | C87 | N17 | H137 | 59.6° | 180.0° |
| H135 | C87 | N17 | H138 | 179.6° | 60.0° |
| H135 | C87 | N17 | H139 | 60.5° | 60.0° |
| H136 | C87 | N17 | H137 | 59.6° | 60.0° |
| H136 | C87 | N17 | H138 | 60.4° | 179.9° |
| H136 | C87 | N17 | H139 | 179.6° | 60.0° |
| H137 | N17 | H138 | H139 | 120.0° | 120.0° |
