PRD_001189
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.23Å | 1.23Å | |
| C1 | C2 | sing | 1.52Å | 1.52Å | |
| C2 | H1 | sing | 1.10Å | 1.10Å | |
| C2 | H2 | sing | 1.10Å | 1.10Å | |
| C2 | H3 | sing | 1.10Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.46Å | |
| N1 | H4 | sing | 1.00Å | 1.00Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H5 | sing | 1.10Å | 1.10Å | |
| C4 | O2 | doub | 1.23Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H6 | sing | 1.10Å | 1.10Å | |
| C5 | H7 | sing | 1.10Å | 1.10Å | |
| C6 | C7 | sing | 1.52Å | 1.52Å | |
| C6 | C8 | sing | 1.52Å | 1.52Å | |
| C6 | H8 | sing | 1.10Å | 1.10Å | |
| C7 | H9 | sing | 1.10Å | 1.10Å | |
| C7 | H10 | sing | 1.10Å | 1.10Å | |
| C7 | H11 | sing | 1.10Å | 1.10Å | |
| C8 | H12 | sing | 1.10Å | 1.10Å | |
| C8 | H13 | sing | 1.10Å | 1.10Å | |
| C8 | H14 | sing | 1.10Å | 1.10Å | |
| N2 | C9 | sing | 1.46Å | 1.46Å | |
| N2 | H15 | sing | 1.00Å | 1.00Å | |
| C9 | C10 | sing | 1.52Å | 1.52Å | |
| C9 | C11 | sing | 1.54Å | 1.54Å | |
| C9 | H16 | sing | 1.10Å | 1.10Å | |
| C10 | O3 | doub | 1.23Å | 1.23Å | |
| C11 | O4 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H17 | sing | 1.10Å | 1.10Å | |
| O4 | H18 | sing | 0.95Å | 0.95Å | |
| C12 | H19 | sing | 1.10Å | 1.10Å | |
| C12 | H20 | sing | 1.10Å | 1.10Å | |
| C12 | H21 | sing | 1.10Å | 1.10Å | |
| N3 | C13 | sing | 1.45Å | 1.45Å | |
| N3 | H22 | sing | 1.00Å | 1.00Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.54Å | 1.54Å | |
| C13 | H23 | sing | 1.10Å | 1.10Å | |
| C14 | O5 | doub | 1.23Å | 1.23Å | |
| C15 | C16 | sing | 1.50Å | 1.50Å | |
| C15 | H24 | sing | 1.10Å | 1.10Å | |
| C15 | H25 | sing | 1.10Å | 1.10Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C18 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | H27 | sing | 1.08Å | 1.08Å | |
| C19 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | H29 | sing | 1.08Å | 1.08Å | |
| C21 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | C30 | sing | 1.51Å | 1.51Å | |
| O6 | C22 | doub | 1.23Å | 1.23Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.52Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.54Å | 1.54Å | |
| C26 | C25 | sing | 1.54Å | 1.54Å | |
| C28 | C27 | sing | 1.54Å | 1.54Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | N4 | sing | 1.46Å | 1.46Å | |
| C24 | H31 | sing | 1.10Å | 1.10Å | |
| C24 | H32 | sing | 1.10Å | 1.10Å | |
| C24 | H33 | sing | 1.10Å | 1.10Å | |
| C25 | H34 | sing | 1.10Å | 1.10Å | |
| C25 | H35 | sing | 1.10Å | 1.10Å | |
| N4 | H36 | sing | 1.00Å | 1.00Å | |
| C26 | H37 | sing | 1.10Å | 1.10Å | |
| C26 | H38 | sing | 1.10Å | 1.10Å | |
| C27 | H39 | sing | 1.10Å | 1.10Å | |
| C27 | H40 | sing | 1.10Å | 1.10Å | |
| C28 | H41 | sing | 1.10Å | 1.10Å | |
| C28 | H42 | sing | 1.10Å | 1.10Å | |
| C29 | H43 | sing | 1.10Å | 1.10Å | |
| C29 | H44 | sing | 1.10Å | 1.10Å | |
| C30 | H45 | sing | 1.10Å | 1.10Å | |
| C30 | H46 | sing | 1.10Å | 1.10Å | |
| C31 | H47 | sing | 1.08Å | 1.08Å | |
| N5 | C32 | sing | 1.46Å | 1.46Å | |
| N5 | H48 | sing | 1.00Å | 1.00Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | C34 | sing | 1.53Å | 1.53Å | |
| C32 | H49 | sing | 1.10Å | 1.10Å | |
| C33 | O7 | doub | 1.23Å | 1.23Å | |
| C34 | C35 | sing | 1.52Å | 1.52Å | |
| C34 | H50 | sing | 1.10Å | 1.10Å | |
| C34 | H51 | sing | 1.10Å | 1.10Å | |
| C35 | C36 | sing | 1.51Å | 1.51Å | |
| C35 | H52 | sing | 1.10Å | 1.10Å | |
| C35 | H53 | sing | 1.10Å | 1.10Å | |
| C36 | O8 | doub | 1.25Å | 1.25Å | |
| C36 | O9 | sing | 1.25Å | 1.25Å | |
| O9 | H54 | sing | 0.95Å | 0.95Å | |
| N6 | C37 | sing | 1.46Å | 1.46Å | |
| N6 | H55 | sing | 1.00Å | 1.00Å | |
| C37 | C38 | sing | 1.52Å | 1.52Å | |
| C37 | C39 | sing | 1.53Å | 1.53Å | |
| C37 | H56 | sing | 1.10Å | 1.10Å | |
| C38 | O10 | doub | 1.23Å | 1.23Å | |
| C39 | C40 | sing | 1.50Å | 1.50Å | |
| C39 | H57 | sing | 1.10Å | 1.10Å | |
| C39 | H58 | sing | 1.10Å | 1.10Å | |
| C40 | C41 | doub | 1.39Å | 1.39Å | Aromatic |
| C40 | C42 | sing | 1.39Å | 1.39Å | Aromatic |
| C41 | C43 | sing | 1.38Å | 1.38Å | Aromatic |
| C41 | H59 | sing | 1.08Å | 1.08Å | |
| C42 | C44 | doub | 1.38Å | 1.38Å | Aromatic |
| C42 | H60 | sing | 1.08Å | 1.08Å | |
| C43 | C45 | doub | 1.38Å | 1.38Å | Aromatic |
| C43 | H61 | sing | 1.08Å | 1.08Å | |
| C44 | C45 | sing | 1.37Å | 1.37Å | Aromatic |
| C44 | H62 | sing | 1.08Å | 1.08Å | |
| C45 | O11 | sing | 1.38Å | 1.38Å | |
| O11 | H63 | sing | 0.95Å | 0.95Å | |
| N7 | C46 | sing | 1.45Å | 1.45Å | |
| N7 | H64 | sing | 1.00Å | 1.00Å | |
| C46 | C47 | sing | 1.52Å | 1.52Å | |
| C46 | C48 | sing | 1.53Å | 1.53Å | |
| C46 | H65 | sing | 1.10Å | 1.10Å | |
| C47 | O12 | doub | 1.23Å | 1.23Å | |
| C48 | C49 | sing | 1.49Å | 1.49Å | |
| C48 | H66 | sing | 1.10Å | 1.10Å | |
| C48 | H67 | sing | 1.10Å | 1.10Å | |
| C49 | C50 | doub | 1.37Å | 1.37Å | Aromatic |
| C49 | C51 | sing | 1.43Å | 1.43Å | Aromatic |
| C50 | N8 | sing | 1.38Å | 1.38Å | Aromatic |
| C50 | H68 | sing | 1.08Å | 1.08Å | |
| C51 | C52 | doub | 1.41Å | 1.41Å | Aromatic |
| C51 | C53 | sing | 1.40Å | 1.40Å | Aromatic |
| N8 | C52 | sing | 1.37Å | 1.37Å | Aromatic |
| N8 | H69 | sing | 1.00Å | 1.00Å | |
| C52 | C54 | sing | 1.39Å | 1.39Å | Aromatic |
| C53 | C55 | doub | 1.39Å | 1.39Å | Aromatic |
| C53 | H70 | sing | 1.08Å | 1.08Å | |
| C54 | C56 | doub | 1.37Å | 1.37Å | Aromatic |
| C54 | H71 | sing | 1.08Å | 1.08Å | |
| C55 | C56 | sing | 1.40Å | 1.40Å | Aromatic |
| C55 | H72 | sing | 1.08Å | 1.08Å | |
| C56 | H73 | sing | 1.08Å | 1.08Å | |
| N9 | C57 | sing | 1.46Å | 1.46Å | |
| N9 | H74 | sing | 1.00Å | 1.00Å | |
| C57 | C58 | sing | 1.53Å | 1.53Å | |
| C57 | C59 | sing | 1.52Å | 1.52Å | |
| C57 | H75 | sing | 1.10Å | 1.10Å | |
| C58 | O13 | doub | 1.23Å | 1.23Å | |
| C59 | H76 | sing | 1.10Å | 1.10Å | |
| C59 | H77 | sing | 1.10Å | 1.10Å | |
| C59 | H78 | sing | 1.10Å | 1.10Å | |
| N10 | C60 | sing | 1.46Å | 1.46Å | |
| N10 | H79 | sing | 1.00Å | 1.00Å | |
| C60 | C61 | sing | 1.52Å | 1.52Å | |
| C60 | C62 | sing | 1.53Å | 1.53Å | |
| C60 | H80 | sing | 1.10Å | 1.10Å | |
| C61 | O14 | doub | 1.23Å | 1.23Å | |
| C62 | C63 | sing | 1.51Å | 1.51Å | |
| C62 | H81 | sing | 1.10Å | 1.10Å | |
| C62 | H82 | sing | 1.10Å | 1.10Å | |
| C63 | C64 | sing | 1.52Å | 1.52Å | |
| C63 | H83 | sing | 1.10Å | 1.10Å | |
| C63 | H84 | sing | 1.10Å | 1.10Å | |
| C64 | O15 | doub | 1.23Å | 1.23Å | |
| C64 | N11 | sing | 1.33Å | 1.33Å | |
| N11 | H85 | sing | 1.00Å | 1.00Å | |
| N11 | H86 | sing | 1.00Å | 1.00Å | |
| N12 | C65 | sing | 1.45Å | 1.45Å | |
| C65 | C67 | sing | 1.53Å | 1.53Å | |
| C65 | C66 | sing | 1.53Å | 1.53Å | |
| O16 | C67 | doub | 1.23Å | 1.23Å | |
| C66 | C68 | sing | 1.53Å | 1.53Å | |
| C68 | C70 | sing | 1.51Å | 1.51Å | |
| C68 | C69 | sing | 1.51Å | 1.51Å | |
| C70 | C71 | sing | 1.56Å | 1.56Å | |
| C69 | C71 | sing | 1.56Å | 1.56Å | |
| N12 | H87 | sing | 1.00Å | 1.00Å | |
| C65 | H88 | sing | 1.10Å | 1.10Å | |
| C66 | H89 | sing | 1.10Å | 1.10Å | |
| C66 | H90 | sing | 1.10Å | 1.10Å | |
| C68 | H91 | sing | 1.10Å | 1.10Å | |
| C69 | H92 | sing | 1.10Å | 1.10Å | |
| C69 | H93 | sing | 1.10Å | 1.10Å | |
| C70 | H94 | sing | 1.10Å | 1.10Å | |
| C70 | H95 | sing | 1.10Å | 1.10Å | |
| C71 | H96 | sing | 1.10Å | 1.10Å | |
| C71 | H97 | sing | 1.10Å | 1.10Å | |
| C72 | C73 | sing | 1.53Å | 1.53Å | |
| N13 | H98 | sing | 1.00Å | 1.00Å | |
| O17 | C72 | doub | 1.23Å | 1.23Å | |
| C73 | N13 | sing | 1.46Å | 1.46Å | |
| C73 | C74 | sing | 1.53Å | 1.53Å | |
| C74 | H99 | sing | 1.10Å | 1.10Å | |
| C74 | H100 | sing | 1.10Å | 1.10Å | |
| C75 | C77 | sing | 1.54Å | 1.54Å | |
| C75 | H101 | sing | 1.10Å | 1.10Å | |
| C75 | H102 | sing | 1.10Å | 1.10Å | |
| C76 | C75 | sing | 1.51Å | 1.51Å | |
| C76 | H103 | sing | 1.08Å | 1.08Å | |
| C77 | C74 | sing | 1.54Å | 1.54Å | |
| C77 | H104 | sing | 1.10Å | 1.10Å | |
| C77 | H105 | sing | 1.10Å | 1.10Å | |
| C78 | C73 | sing | 1.53Å | 1.53Å | |
| C78 | H106 | sing | 1.10Å | 1.10Å | |
| C78 | H107 | sing | 1.10Å | 1.10Å | |
| C78 | H108 | sing | 1.10Å | 1.10Å | |
| N14 | C79 | sing | 1.46Å | 1.46Å | |
| N14 | H109 | sing | 1.00Å | 1.00Å | |
| C79 | C80 | sing | 1.52Å | 1.52Å | |
| C79 | C81 | sing | 1.53Å | 1.53Å | |
| C79 | H110 | sing | 1.10Å | 1.10Å | |
| C80 | O18 | doub | 1.23Å | 1.23Å | |
| C81 | O19 | sing | 1.42Å | 1.42Å | |
| C81 | H111 | sing | 1.10Å | 1.10Å | |
| C81 | H112 | sing | 1.10Å | 1.10Å | |
| O19 | H113 | sing | 0.95Å | 0.95Å | |
| N15 | C82 | sing | 1.46Å | 1.46Å | |
| N15 | H114 | sing | 1.00Å | 1.00Å | |
| C82 | C83 | sing | 1.52Å | 1.52Å | |
| C82 | C84 | sing | 1.52Å | 1.52Å | |
| C82 | H115 | sing | 1.10Å | 1.10Å | |
| C83 | O20 | doub | 1.23Å | 1.23Å | |
| C84 | H116 | sing | 1.10Å | 1.10Å | |
| C84 | H117 | sing | 1.10Å | 1.10Å | |
| C84 | H118 | sing | 1.10Å | 1.10Å | |
| N16 | C85 | sing | 1.46Å | 1.46Å | |
| N16 | H119 | sing | 1.00Å | 1.00Å | |
| C85 | C86 | sing | 1.53Å | 1.53Å | |
| C85 | C87 | sing | 1.52Å | 1.52Å | |
| C85 | H120 | sing | 1.10Å | 1.10Å | |
| C86 | O21 | doub | 1.25Å | 1.25Å | |
| C86 | O22 | sing | 1.25Å | 1.25Å | |
| C87 | H121 | sing | 1.10Å | 1.10Å | |
| C87 | H122 | sing | 1.10Å | 1.10Å | |
| C87 | H123 | sing | 1.10Å | 1.10Å | |
| O22 | H124 | sing | 0.95Å | 0.95Å | |
| C1 | N1 | sing | 1.33Å | 1.33Å | |
| C4 | N2 | sing | 1.33Å | 1.33Å | |
| C10 | N3 | sing | 1.33Å | 1.33Å | |
| C14 | N4 | sing | 1.33Å | 1.33Å | |
| C22 | N5 | sing | 1.33Å | 1.33Å | |
| C31 | C76 | doub | 1.34Å | 1.34Å | |
| C33 | N6 | sing | 1.33Å | 1.33Å | |
| C38 | N7 | sing | 1.33Å | 1.33Å | |
| C47 | N9 | sing | 1.33Å | 1.33Å | |
| C58 | N10 | sing | 1.33Å | 1.33Å | |
| C61 | N12 | sing | 1.33Å | 1.33Å | |
| C67 | N13 | sing | 1.33Å | 1.33Å | |
| C72 | N14 | sing | 1.33Å | 1.33Å | |
| C80 | N15 | sing | 1.33Å | 1.33Å | |
| C83 | N16 | sing | 1.33Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.9° | 120.9° |
| O1 | C1 | N1 | 122.5° | 122.5° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 116.6° | 116.6° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 119.0° | 118.9° |
| N1 | C3 | C4 | 111.1° | 111.1° |
| N1 | C3 | C5 | 109.7° | 109.7° |
| N1 | C3 | H5 | 109.4° | 109.4° |
| C3 | N1 | C1 | 122.1° | 122.1° |
| H4 | N1 | C1 | 118.9° | 119.0° |
| C4 | C3 | C5 | 109.5° | 109.5° |
| C4 | C3 | H5 | 108.5° | 108.5° |
| C3 | C4 | O2 | 120.8° | 120.8° |
| C3 | C4 | N2 | 116.4° | 116.4° |
| C5 | C3 | H5 | 108.5° | 108.5° |
| C3 | C5 | C6 | 115.4° | 115.4° |
| C3 | C5 | H6 | 108.0° | 108.0° |
| C3 | C5 | H7 | 108.0° | 108.0° |
| O2 | C4 | N2 | 122.8° | 122.8° |
| C6 | C5 | H6 | 107.9° | 107.9° |
| C6 | C5 | H7 | 108.0° | 108.0° |
| C5 | C6 | C7 | 110.1° | 110.1° |
| C5 | C6 | C8 | 109.2° | 109.2° |
| C5 | C6 | H8 | 108.9° | 108.9° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C7 | C6 | C8 | 110.8° | 110.8° |
| C7 | C6 | H8 | 108.9° | 108.9° |
| C6 | C7 | H9 | 109.5° | 109.5° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.5° |
| C8 | C6 | H8 | 109.0° | 109.0° |
| C6 | C8 | H12 | 109.5° | 109.5° |
| C6 | C8 | H13 | 109.5° | 109.5° |
| C6 | C8 | H14 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H11 | 109.4° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.4° | 109.4° |
| H12 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| C9 | N2 | H15 | 119.5° | 119.5° |
| N2 | C9 | C10 | 108.9° | 108.9° |
| N2 | C9 | C11 | 111.8° | 111.8° |
| N2 | C9 | H16 | 109.9° | 109.9° |
| C9 | N2 | C4 | 121.0° | 121.0° |
| H15 | N2 | C4 | 119.5° | 119.5° |
| C10 | C9 | C11 | 108.1° | 108.1° |
| C10 | C9 | H16 | 109.1° | 109.1° |
| C9 | C10 | O3 | 120.6° | 120.6° |
| C9 | C10 | N3 | 117.0° | 117.0° |
| C11 | C9 | H16 | 108.8° | 108.8° |
| C9 | C11 | O4 | 109.7° | 109.7° |
| C9 | C11 | C12 | 110.3° | 110.3° |
| C9 | C11 | H17 | 108.6° | 108.6° |
| O3 | C10 | N3 | 122.4° | 122.4° |
| O4 | C11 | C12 | 109.5° | 109.5° |
| O4 | C11 | H17 | 110.0° | 110.0° |
| C11 | O4 | H18 | 109.5° | 109.5° |
| C12 | C11 | H17 | 108.7° | 108.7° |
| C11 | C12 | H19 | 109.5° | 109.5° |
| C11 | C12 | H20 | 109.5° | 109.5° |
| C11 | C12 | H21 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| H19 | C12 | H21 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| C13 | N3 | H22 | 120.3° | 120.3° |
| N3 | C13 | C14 | 111.3° | 111.3° |
| N3 | C13 | C15 | 111.2° | 111.2° |
| N3 | C13 | H23 | 108.9° | 108.9° |
| C13 | N3 | C10 | 119.4° | 119.4° |
| H22 | N3 | C10 | 120.3° | 120.3° |
| C14 | C13 | C15 | 109.5° | 109.5° |
| C14 | C13 | H23 | 108.0° | 108.0° |
| C13 | C14 | O5 | 120.6° | 120.6° |
| C13 | C14 | N4 | 116.9° | 116.9° |
| C15 | C13 | H23 | 107.9° | 107.9° |
| C13 | C15 | C16 | 113.0° | 113.0° |
| C13 | C15 | H24 | 108.6° | 108.6° |
| C13 | C15 | H25 | 108.6° | 108.6° |
| O5 | C14 | N4 | 122.6° | 122.6° |
| C16 | C15 | H24 | 108.5° | 108.6° |
| C16 | C15 | H25 | 108.6° | 108.6° |
| C15 | C16 | C17 | 120.3° | 120.3° |
| C15 | C16 | C18 | 120.7° | 120.7° |
| H24 | C15 | H25 | 109.5° | 109.4° |
| C17 | C16 | C18 | 118.8° | 118.8° |
| C16 | C17 | C19 | 121.0° | 121.0° |
| C16 | C17 | H26 | 119.5° | 119.5° |
| C16 | C18 | C20 | 120.6° | 120.6° |
| C16 | C18 | H27 | 119.7° | 119.7° |
| C19 | C17 | H26 | 119.5° | 119.5° |
| C17 | C19 | C21 | 120.0° | 120.0° |
| C17 | C19 | H28 | 120.1° | 120.0° |
| C20 | C18 | H27 | 119.7° | 119.7° |
| C18 | C20 | C21 | 120.0° | 120.0° |
| C18 | C20 | H29 | 120.0° | 120.0° |
| C21 | C19 | H28 | 120.0° | 120.0° |
| C19 | C21 | C20 | 119.7° | 119.7° |
| C19 | C21 | H30 | 120.2° | 120.2° |
| C21 | C20 | H29 | 120.0° | 120.0° |
| C20 | C21 | H30 | 120.2° | 120.2° |
| C31 | C30 | C29 | 110.8° | 110.8° |
| C31 | C30 | H45 | 109.1° | 109.1° |
| C31 | C30 | H46 | 109.1° | 109.1° |
| C30 | C31 | H47 | 118.8° | 118.9° |
| C30 | C31 | C76 | 122.3° | 122.3° |
| O6 | C22 | C23 | 120.9° | 120.9° |
| O6 | C22 | N5 | 122.9° | 122.9° |
| C30 | C29 | C28 | 110.3° | 110.3° |
| C30 | C29 | H43 | 109.2° | 109.3° |
| C30 | C29 | H44 | 109.2° | 109.2° |
| C29 | C30 | H45 | 109.1° | 109.1° |
| C29 | C30 | H46 | 109.1° | 109.1° |
| C29 | C28 | C27 | 110.8° | 110.8° |
| C29 | C28 | H41 | 109.1° | 109.1° |
| C29 | C28 | H42 | 109.1° | 109.1° |
| C28 | C29 | H43 | 109.3° | 109.3° |
| C28 | C29 | H44 | 109.3° | 109.3° |
| C22 | C23 | C24 | 109.4° | 109.4° |
| C22 | C23 | C25 | 113.9° | 113.9° |
| C22 | C23 | N4 | 109.8° | 109.8° |
| C23 | C22 | N5 | 116.2° | 116.2° |
| C24 | C23 | C25 | 108.5° | 108.5° |
| C24 | C23 | N4 | 110.2° | 110.2° |
| C23 | C24 | H31 | 109.5° | 109.5° |
| C23 | C24 | H32 | 109.5° | 109.5° |
| C23 | C24 | H33 | 109.4° | 109.4° |
| C27 | C26 | C25 | 110.0° | 110.0° |
| C26 | C27 | C28 | 111.0° | 111.0° |
| C27 | C26 | H37 | 109.4° | 109.4° |
| C27 | C26 | H38 | 109.3° | 109.3° |
| C26 | C27 | H39 | 109.1° | 109.1° |
| C26 | C27 | H40 | 109.1° | 109.1° |
| C26 | C25 | C23 | 115.3° | 115.3° |
| C26 | C25 | H34 | 108.0° | 108.0° |
| C26 | C25 | H35 | 108.0° | 108.0° |
| C25 | C26 | H37 | 109.3° | 109.3° |
| C25 | C26 | H38 | 109.3° | 109.3° |
| C28 | C27 | H39 | 109.1° | 109.1° |
| C28 | C27 | H40 | 109.1° | 109.1° |
| C27 | C28 | H41 | 109.1° | 109.1° |
| C27 | C28 | H42 | 109.2° | 109.1° |
| C25 | C23 | N4 | 105.0° | 105.0° |
| C23 | C25 | H34 | 108.0° | 108.0° |
| C23 | C25 | H35 | 108.0° | 108.0° |
| C23 | N4 | H36 | 119.3° | 119.3° |
| C23 | N4 | C14 | 121.4° | 121.4° |
| H31 | C24 | H32 | 109.4° | 109.4° |
| H31 | C24 | H33 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.5° | 109.5° |
| H34 | C25 | H35 | 109.4° | 109.4° |
| H36 | N4 | C14 | 119.3° | 119.3° |
| H37 | C26 | H38 | 109.5° | 109.5° |
| H39 | C27 | H40 | 109.5° | 109.5° |
| H41 | C28 | H42 | 109.5° | 109.5° |
| H43 | C29 | H44 | 109.5° | 109.4° |
| H45 | C30 | H46 | 109.5° | 109.5° |
| H47 | C31 | C76 | 118.9° | 118.9° |
| C32 | N5 | H48 | 119.7° | 119.7° |
| N5 | C32 | C33 | 111.8° | 111.8° |
| N5 | C32 | C34 | 110.2° | 110.2° |
| N5 | C32 | H49 | 108.6° | 108.6° |
| C32 | N5 | C22 | 120.7° | 120.7° |
| H48 | N5 | C22 | 119.7° | 119.6° |
| C33 | C32 | C34 | 110.7° | 110.7° |
| C33 | C32 | H49 | 107.7° | 107.7° |
| C32 | C33 | O7 | 120.2° | 120.2° |
| C32 | C33 | N6 | 117.2° | 117.2° |
| C34 | C32 | H49 | 107.7° | 107.7° |
| C32 | C34 | C35 | 111.9° | 111.9° |
| C32 | C34 | H50 | 108.9° | 108.9° |
| C32 | C34 | H51 | 108.8° | 108.8° |
| O7 | C33 | N6 | 122.6° | 122.6° |
| C35 | C34 | H50 | 108.9° | 108.9° |
| C35 | C34 | H51 | 108.9° | 108.9° |
| C34 | C35 | C36 | 113.6° | 113.6° |
| C34 | C35 | H52 | 108.4° | 108.4° |
| C34 | C35 | H53 | 108.4° | 108.4° |
| H50 | C34 | H51 | 109.4° | 109.4° |
| C36 | C35 | H52 | 108.4° | 108.4° |
| C36 | C35 | H53 | 108.4° | 108.4° |
| C35 | C36 | O8 | 119.1° | 119.1° |
| C35 | C36 | O9 | 118.0° | 118.0° |
| H52 | C35 | H53 | 109.5° | 109.5° |
| O8 | C36 | O9 | 122.9° | 122.9° |
| C36 | O9 | H54 | 109.5° | 109.5° |
| C37 | N6 | H55 | 120.0° | 120.0° |
| N6 | C37 | C38 | 112.4° | 112.4° |
| N6 | C37 | C39 | 111.0° | 111.0° |
| N6 | C37 | H56 | 108.6° | 108.6° |
| C37 | N6 | C33 | 120.0° | 120.0° |
| H55 | N6 | C33 | 120.0° | 120.0° |
| C38 | C37 | C39 | 108.9° | 108.9° |
| C38 | C37 | H56 | 107.9° | 107.9° |
| C37 | C38 | O10 | 120.6° | 120.6° |
| C37 | C38 | N7 | 116.9° | 116.9° |
| C39 | C37 | H56 | 107.8° | 107.8° |
| C37 | C39 | C40 | 113.4° | 113.4° |
| C37 | C39 | H57 | 108.5° | 108.5° |
| C37 | C39 | H58 | 108.5° | 108.5° |
| O10 | C38 | N7 | 122.5° | 122.5° |
| C40 | C39 | H57 | 108.5° | 108.5° |
| C40 | C39 | H58 | 108.5° | 108.5° |
| C39 | C40 | C41 | 121.0° | 121.0° |
| C39 | C40 | C42 | 120.8° | 120.8° |
| H57 | C39 | H58 | 109.5° | 109.5° |
| C41 | C40 | C42 | 118.2° | 118.2° |
| C40 | C41 | C43 | 121.1° | 121.1° |
| C40 | C41 | H59 | 119.5° | 119.5° |
| C40 | C42 | C44 | 121.0° | 121.0° |
| C40 | C42 | H60 | 119.5° | 119.5° |
| C43 | C41 | H59 | 119.5° | 119.5° |
| C41 | C43 | C45 | 119.6° | 119.6° |
| C41 | C43 | H61 | 120.2° | 120.2° |
| C44 | C42 | H60 | 119.5° | 119.5° |
| C42 | C44 | C45 | 119.6° | 119.6° |
| C42 | C44 | H62 | 120.2° | 120.2° |
| C45 | C43 | H61 | 120.2° | 120.2° |
| C43 | C45 | C44 | 120.5° | 120.5° |
| C43 | C45 | O11 | 119.7° | 119.7° |
| C45 | C44 | H62 | 120.2° | 120.2° |
| C44 | C45 | O11 | 119.7° | 119.7° |
| C45 | O11 | H63 | 109.5° | 109.5° |
| C46 | N7 | H64 | 120.4° | 120.4° |
| N7 | C46 | C47 | 110.9° | 110.9° |
| N7 | C46 | C48 | 111.1° | 111.1° |
| N7 | C46 | H65 | 109.1° | 109.1° |
| C46 | N7 | C38 | 119.3° | 119.3° |
| H64 | N7 | C38 | 120.4° | 120.4° |
| C47 | C46 | C48 | 109.5° | 109.5° |
| C47 | C46 | H65 | 108.1° | 108.1° |
| C46 | C47 | O12 | 120.8° | 120.8° |
| C46 | C47 | N9 | 116.5° | 116.5° |
| C48 | C46 | H65 | 108.1° | 108.1° |
| C46 | C48 | C49 | 111.6° | 111.6° |
| C46 | C48 | H66 | 109.0° | 109.0° |
| C46 | C48 | H67 | 108.9° | 108.9° |
| O12 | C47 | N9 | 122.7° | 122.7° |
| C49 | C48 | H66 | 108.9° | 108.9° |
| C49 | C48 | H67 | 108.9° | 108.9° |
| C48 | C49 | C50 | 127.1° | 127.1° |
| C48 | C49 | C51 | 126.5° | 126.5° |
| H66 | C48 | H67 | 109.5° | 109.5° |
| C50 | C49 | C51 | 106.3° | 106.3° |
| C49 | C50 | N8 | 109.9° | 109.9° |
| C49 | C50 | H68 | 125.0° | 125.1° |
| C49 | C51 | C52 | 107.4° | 107.4° |
| C49 | C51 | C53 | 133.8° | 133.8° |
| N8 | C50 | H68 | 125.1° | 125.0° |
| C50 | N8 | C52 | 109.0° | 109.0° |
| C50 | N8 | H69 | 125.5° | 125.5° |
| C52 | C51 | C53 | 118.9° | 118.9° |
| C51 | C52 | N8 | 107.4° | 107.4° |
| C51 | C52 | C54 | 122.5° | 122.5° |
| C51 | C53 | C55 | 118.6° | 118.6° |
| C51 | C53 | H70 | 120.7° | 120.7° |
| C52 | N8 | H69 | 125.5° | 125.5° |
| N8 | C52 | C54 | 130.1° | 130.1° |
| C52 | C54 | C56 | 117.5° | 117.5° |
| C52 | C54 | H71 | 121.2° | 121.2° |
| C55 | C53 | H70 | 120.7° | 120.7° |
| C53 | C55 | C56 | 121.1° | 121.1° |
| C53 | C55 | H72 | 119.5° | 119.5° |
| C56 | C54 | H71 | 121.3° | 121.3° |
| C54 | C56 | C55 | 121.5° | 121.5° |
| C54 | C56 | H73 | 119.3° | 119.2° |
| C56 | C55 | H72 | 119.5° | 119.5° |
| C55 | C56 | H73 | 119.2° | 119.3° |
| C57 | N9 | H74 | 119.6° | 119.6° |
| N9 | C57 | C58 | 110.1° | 110.1° |
| N9 | C57 | C59 | 110.0° | 110.0° |
| N9 | C57 | H75 | 109.4° | 109.4° |
| C57 | N9 | C47 | 120.8° | 120.8° |
| H74 | N9 | C47 | 119.6° | 119.6° |
| C58 | C57 | C59 | 110.1° | 110.1° |
| C58 | C57 | H75 | 108.5° | 108.5° |
| C57 | C58 | O13 | 120.7° | 120.7° |
| C57 | C58 | N10 | 116.4° | 116.4° |
| C59 | C57 | H75 | 108.6° | 108.6° |
| C57 | C59 | H76 | 109.5° | 109.5° |
| C57 | C59 | H77 | 109.5° | 109.5° |
| C57 | C59 | H78 | 109.5° | 109.4° |
| O13 | C58 | N10 | 122.9° | 122.9° |
| H76 | C59 | H77 | 109.5° | 109.5° |
| H76 | C59 | H78 | 109.5° | 109.5° |
| H77 | C59 | H78 | 109.4° | 109.5° |
| C60 | N10 | H79 | 119.2° | 119.2° |
| N10 | C60 | C61 | 110.4° | 110.4° |
| N10 | C60 | C62 | 110.9° | 110.9° |
| N10 | C60 | H80 | 109.6° | 109.6° |
| C60 | N10 | C58 | 121.6° | 121.6° |
| H79 | N10 | C58 | 119.2° | 119.2° |
| C61 | C60 | C62 | 108.2° | 108.2° |
| C61 | C60 | H80 | 108.9° | 108.9° |
| C60 | C61 | O14 | 121.2° | 121.2° |
| C60 | C61 | N12 | 115.8° | 115.8° |
| C62 | C60 | H80 | 108.8° | 108.8° |
| C60 | C62 | C63 | 115.4° | 115.4° |
| C60 | C62 | H81 | 108.0° | 108.0° |
| C60 | C62 | H82 | 108.0° | 108.0° |
| O14 | C61 | N12 | 123.0° | 123.0° |
| C63 | C62 | H81 | 107.9° | 107.9° |
| C63 | C62 | H82 | 108.0° | 108.0° |
| C62 | C63 | C64 | 111.9° | 111.9° |
| C62 | C63 | H83 | 108.9° | 108.9° |
| C62 | C63 | H84 | 108.9° | 108.9° |
| H81 | C62 | H82 | 109.4° | 109.4° |
| C64 | C63 | H83 | 108.9° | 108.9° |
| C64 | C63 | H84 | 108.8° | 108.8° |
| C63 | C64 | O15 | 121.1° | 121.1° |
| C63 | C64 | N11 | 116.3° | 116.3° |
| H83 | C63 | H84 | 109.5° | 109.5° |
| O15 | C64 | N11 | 122.5° | 122.5° |
| C64 | N11 | H85 | 120.0° | 120.0° |
| C64 | N11 | H86 | 120.0° | 120.0° |
| H85 | N11 | H86 | 120.0° | 120.0° |
| N12 | C65 | C67 | 109.8° | 109.8° |
| N12 | C65 | C66 | 109.7° | 109.7° |
| C65 | N12 | H87 | 119.2° | 119.3° |
| N12 | C65 | H88 | 109.6° | 109.6° |
| C65 | N12 | C61 | 121.5° | 121.5° |
| C67 | C65 | C66 | 110.5° | 110.5° |
| C65 | C67 | O16 | 120.7° | 120.7° |
| C67 | C65 | H88 | 108.6° | 108.6° |
| C65 | C67 | N13 | 116.3° | 116.3° |
| C65 | C66 | C68 | 117.1° | 117.1° |
| C66 | C65 | H88 | 108.5° | 108.5° |
| C65 | C66 | H89 | 107.5° | 107.5° |
| C65 | C66 | H90 | 107.5° | 107.5° |
| O16 | C67 | N13 | 123.1° | 123.1° |
| C66 | C68 | C70 | 116.2° | 116.2° |
| C66 | C68 | C69 | 119.8° | 119.8° |
| C68 | C66 | H89 | 107.5° | 107.5° |
| C68 | C66 | H90 | 107.5° | 107.5° |
| C66 | C68 | H91 | 109.2° | 109.2° |
| C70 | C68 | C69 | 91.5° | 91.5° |
| C68 | C70 | C71 | 90.3° | 90.3° |
| C70 | C68 | H91 | 109.4° | 109.4° |
| C68 | C70 | H94 | 114.0° | 114.0° |
| C68 | C70 | H95 | 114.0° | 114.0° |
| C68 | C69 | C71 | 90.6° | 90.6° |
| C69 | C68 | H91 | 109.5° | 109.5° |
| C68 | C69 | H92 | 114.0° | 114.0° |
| C68 | C69 | H93 | 114.0° | 114.0° |
| C70 | C71 | C69 | 87.6° | 87.6° |
| C71 | C70 | H94 | 114.0° | 114.0° |
| C71 | C70 | H95 | 114.0° | 114.0° |
| C70 | C71 | H96 | 114.6° | 114.6° |
| C70 | C71 | H97 | 114.6° | 114.6° |
| C71 | C69 | H92 | 114.0° | 114.0° |
| C71 | C69 | H93 | 114.0° | 114.0° |
| C69 | C71 | H96 | 114.6° | 114.6° |
| C69 | C71 | H97 | 114.6° | 114.6° |
| H87 | N12 | C61 | 119.2° | 119.2° |
| H89 | C66 | H90 | 109.5° | 109.5° |
| H92 | C69 | H93 | 109.4° | 109.4° |
| H94 | C70 | H95 | 109.5° | 109.5° |
| H96 | C71 | H97 | 109.4° | 109.5° |
| C73 | C72 | O17 | 120.9° | 120.9° |
| C72 | C73 | N13 | 110.5° | 110.5° |
| C72 | C73 | C74 | 109.9° | 109.9° |
| C72 | C73 | C78 | 110.2° | 110.2° |
| C73 | C72 | N14 | 116.1° | 116.1° |
| H98 | N13 | C73 | 119.0° | 119.0° |
| H98 | N13 | C67 | 119.0° | 119.0° |
| O17 | C72 | N14 | 123.0° | 123.0° |
| N13 | C73 | C74 | 103.6° | 103.6° |
| N13 | C73 | C78 | 110.2° | 110.2° |
| C73 | N13 | C67 | 122.0° | 122.0° |
| C73 | C74 | H99 | 108.3° | 108.3° |
| C73 | C74 | H100 | 108.3° | 108.3° |
| C73 | C74 | C77 | 114.0° | 114.0° |
| C74 | C73 | C78 | 112.3° | 112.3° |
| H99 | C74 | H100 | 109.4° | 109.4° |
| H99 | C74 | C77 | 108.3° | 108.3° |
| H100 | C74 | C77 | 108.3° | 108.3° |
| C77 | C75 | H101 | 109.1° | 109.1° |
| C77 | C75 | H102 | 109.1° | 109.1° |
| C77 | C75 | C76 | 110.9° | 110.9° |
| C75 | C77 | C74 | 110.5° | 110.5° |
| C75 | C77 | H104 | 109.2° | 109.2° |
| C75 | C77 | H105 | 109.2° | 109.2° |
| H101 | C75 | H102 | 109.5° | 109.5° |
| H101 | C75 | C76 | 109.1° | 109.1° |
| H102 | C75 | C76 | 109.1° | 109.1° |
| C75 | C76 | H103 | 118.8° | 118.8° |
| C75 | C76 | C31 | 122.5° | 122.5° |
| H103 | C76 | C31 | 118.8° | 118.8° |
| C74 | C77 | H104 | 109.2° | 109.2° |
| C74 | C77 | H105 | 109.2° | 109.2° |
| H104 | C77 | H105 | 109.5° | 109.5° |
| C73 | C78 | H106 | 109.5° | 109.5° |
| C73 | C78 | H107 | 109.5° | 109.5° |
| C73 | C78 | H108 | 109.5° | 109.5° |
| H106 | C78 | H107 | 109.5° | 109.5° |
| H106 | C78 | H108 | 109.5° | 109.5° |
| H107 | C78 | H108 | 109.5° | 109.5° |
| C79 | N14 | H109 | 119.1° | 119.1° |
| N14 | C79 | C80 | 111.3° | 111.3° |
| N14 | C79 | C81 | 110.2° | 110.2° |
| N14 | C79 | H110 | 109.2° | 109.2° |
| C79 | N14 | C72 | 121.8° | 121.8° |
| H109 | N14 | C72 | 119.1° | 119.1° |
| C80 | C79 | C81 | 109.5° | 109.5° |
| C80 | C79 | H110 | 108.3° | 108.3° |
| C79 | C80 | O18 | 120.6° | 120.6° |
| C79 | C80 | N15 | 116.4° | 116.4° |
| C81 | C79 | H110 | 108.2° | 108.2° |
| C79 | C81 | O19 | 111.1° | 111.1° |
| C79 | C81 | H111 | 109.1° | 109.1° |
| C79 | C81 | H112 | 109.1° | 109.1° |
| O18 | C80 | N15 | 123.0° | 123.0° |
| O19 | C81 | H111 | 109.0° | 109.0° |
| O19 | C81 | H112 | 109.1° | 109.1° |
| C81 | O19 | H113 | 109.5° | 109.5° |
| H111 | C81 | H112 | 109.5° | 109.5° |
| C82 | N15 | H114 | 119.4° | 119.4° |
| N15 | C82 | C83 | 110.5° | 110.5° |
| N15 | C82 | C84 | 110.0° | 110.0° |
| N15 | C82 | H115 | 109.3° | 109.3° |
| C82 | N15 | C80 | 121.3° | 121.3° |
| H114 | N15 | C80 | 119.3° | 119.3° |
| C83 | C82 | C84 | 110.2° | 110.2° |
| C83 | C82 | H115 | 108.4° | 108.4° |
| C82 | C83 | O20 | 120.8° | 120.8° |
| C82 | C83 | N16 | 116.3° | 116.3° |
| C84 | C82 | H115 | 108.4° | 108.4° |
| C82 | C84 | H116 | 109.5° | 109.5° |
| C82 | C84 | H117 | 109.5° | 109.5° |
| C82 | C84 | H118 | 109.4° | 109.4° |
| O20 | C83 | N16 | 122.9° | 122.9° |
| H116 | C84 | H117 | 109.4° | 109.5° |
| H116 | C84 | H118 | 109.5° | 109.5° |
| H117 | C84 | H118 | 109.5° | 109.5° |
| C85 | N16 | H119 | 119.2° | 119.2° |
| N16 | C85 | C86 | 110.5° | 110.5° |
| N16 | C85 | C87 | 110.0° | 110.0° |
| N16 | C85 | H120 | 109.3° | 109.3° |
| C85 | N16 | C83 | 121.5° | 121.5° |
| H119 | N16 | C83 | 119.2° | 119.2° |
| C86 | C85 | C87 | 110.1° | 110.1° |
| C86 | C85 | H120 | 108.4° | 108.4° |
| C85 | C86 | O21 | 118.0° | 118.0° |
| C85 | C86 | O22 | 118.2° | 118.2° |
| C87 | C85 | H120 | 108.5° | 108.5° |
| C85 | C87 | H121 | 109.5° | 109.5° |
| C85 | C87 | H122 | 109.5° | 109.5° |
| C85 | C87 | H123 | 109.5° | 109.5° |
| O21 | C86 | O22 | 123.9° | 123.9° |
| C86 | O22 | H124 | 109.5° | 109.5° |
| H121 | C87 | H122 | 109.5° | 109.5° |
| H121 | C87 | H123 | 109.4° | 109.4° |
| H122 | C87 | H123 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.9° | 179.9° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 2.4° | 2.4° |
| O1 | C1 | N1 | H4 | 177.6° | 177.6° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 177.7° | 177.7° |
| C2 | C1 | N1 | H4 | 2.3° | 2.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 179.9° | 179.9° |
| H2 | C2 | C1 | N1 | 59.9° | 59.9° |
| H3 | C2 | C1 | N1 | 60.1° | 60.1° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 121.3° | 121.3° |
| N1 | C3 | C4 | H5 | 120.4° | 120.4° |
| N1 | C3 | C5 | H5 | 119.5° | 119.5° |
| N1 | C3 | C4 | O2 | 1.7° | 1.7° |
| N1 | C3 | C5 | C6 | 56.1° | 56.1° |
| N1 | C3 | C5 | H6 | 64.8° | 64.8° |
| N1 | C3 | C5 | H7 | 176.9° | 176.9° |
| N1 | C3 | C4 | N2 | 177.9° | 177.9° |
| H4 | N1 | C3 | C4 | 90.8° | 90.8° |
| H4 | N1 | C3 | C5 | 30.4° | 30.4° |
| H4 | N1 | C3 | H5 | 149.4° | 149.3° |
| C4 | C3 | C5 | H5 | 118.3° | 118.3° |
| C3 | C4 | O2 | N2 | 179.6° | 179.6° |
| C4 | C3 | C5 | C6 | 178.2° | 178.2° |
| C4 | C3 | C5 | H6 | 57.4° | 57.4° |
| C4 | C3 | C5 | H7 | 60.9° | 60.9° |
| C3 | C4 | N2 | C9 | 174.4° | 174.4° |
| C3 | C4 | N2 | H15 | 5.6° | 5.6° |
| C4 | C3 | N1 | C1 | 89.2° | 89.2° |
| C5 | C3 | C4 | O2 | 119.6° | 119.6° |
| C3 | C5 | C6 | H6 | 120.9° | 120.9° |
| C3 | C5 | C6 | H7 | 120.9° | 120.9° |
| C3 | C5 | H6 | H7 | 117.3° | 117.3° |
| C3 | C5 | C6 | C7 | 177.6° | 177.6° |
| C3 | C5 | C6 | C8 | 60.6° | 60.6° |
| C3 | C5 | C6 | H8 | 58.3° | 58.3° |
| C5 | C3 | N1 | C1 | 149.6° | 149.6° |
| C5 | C3 | C4 | N2 | 60.8° | 60.8° |
| H5 | C3 | C4 | O2 | 122.1° | 122.1° |
| H5 | C3 | C5 | C6 | 63.5° | 63.5° |
| H5 | C3 | C5 | H6 | 175.7° | 175.7° |
| H5 | C3 | C5 | H7 | 57.4° | 57.4° |
| H5 | C3 | N1 | C1 | 30.7° | 30.7° |
| H5 | C3 | C4 | N2 | 57.5° | 57.5° |
| O2 | C4 | N2 | C9 | 6.0° | 6.0° |
| O2 | C4 | N2 | H15 | 174.0° | 174.0° |
| C6 | C5 | H6 | H7 | 117.3° | 117.3° |
| C5 | C6 | C7 | C8 | 120.8° | 120.8° |
| C5 | C6 | C7 | H8 | 119.3° | 119.3° |
| C5 | C6 | C8 | H8 | 118.8° | 118.8° |
| C5 | C6 | C7 | H9 | 180.0° | 180.0° |
| C5 | C6 | C7 | H10 | 60.0° | 60.0° |
| C5 | C6 | C7 | H11 | 60.0° | 60.0° |
| C5 | C6 | C8 | H12 | 180.0° | 180.0° |
| C5 | C6 | C8 | H13 | 60.0° | 60.0° |
| C5 | C6 | C8 | H14 | 60.0° | 60.0° |
| H6 | C5 | C6 | C7 | 56.8° | 56.8° |
| H6 | C5 | C6 | C8 | 178.5° | 178.5° |
| H6 | C5 | C6 | H8 | 62.6° | 62.6° |
| H7 | C5 | C6 | C7 | 61.5° | 61.5° |
| H7 | C5 | C6 | C8 | 60.3° | 60.3° |
| H7 | C5 | C6 | H8 | 179.2° | 179.2° |
| C7 | C6 | C8 | H8 | 119.9° | 119.9° |
| C6 | C7 | H9 | H10 | 120.0° | 120.0° |
| C6 | C7 | H9 | H11 | 120.0° | 120.0° |
| C6 | C7 | H10 | H11 | 120.0° | 120.0° |
| C7 | C6 | C8 | H12 | 58.6° | 58.6° |
| C7 | C6 | C8 | H13 | 61.4° | 61.4° |
| C7 | C6 | C8 | H14 | 178.6° | 178.6° |
| C8 | C6 | C7 | H9 | 59.2° | 59.2° |
| C8 | C6 | C7 | H10 | 179.2° | 179.2° |
| C8 | C6 | C7 | H11 | 60.8° | 60.8° |
| C6 | C8 | H12 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H14 | 120.0° | 120.0° |
| C6 | C8 | H13 | H14 | 120.0° | 120.0° |
| H8 | C6 | C7 | H9 | 60.7° | 60.7° |
| H8 | C6 | C7 | H10 | 59.3° | 59.3° |
| H8 | C6 | C7 | H11 | 179.3° | 179.3° |
| H8 | C6 | C8 | H12 | 61.2° | 61.2° |
| H8 | C6 | C8 | H13 | 178.8° | 178.8° |
| H8 | C6 | C8 | H14 | 58.8° | 58.8° |
| H9 | C7 | H10 | H11 | 120.0° | 120.0° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |
| C9 | N2 | H15 | C4 | 180.0° | 180.0° |
| N2 | C9 | C10 | C11 | 121.8° | 121.8° |
| N2 | C9 | C10 | H16 | 120.0° | 120.0° |
| N2 | C9 | C11 | H16 | 121.6° | 121.6° |
| N2 | C9 | C10 | O3 | 20.0° | 20.0° |
| N2 | C9 | C11 | O4 | 65.5° | 65.5° |
| N2 | C9 | C11 | C12 | 55.2° | 55.2° |
| N2 | C9 | C11 | H17 | 174.2° | 174.2° |
| N2 | C9 | C10 | N3 | 159.9° | 159.9° |
| H15 | N2 | C9 | C10 | 95.9° | 95.9° |
| H15 | N2 | C9 | C11 | 23.6° | 23.6° |
| H15 | N2 | C9 | H16 | 144.6° | 144.6° |
| C10 | C9 | C11 | H16 | 118.4° | 118.4° |
| C9 | C10 | O3 | N3 | 179.9° | 179.9° |
| C10 | C9 | C11 | O4 | 54.4° | 54.4° |
| C10 | C9 | C11 | C12 | 175.1° | 175.1° |
| C10 | C9 | C11 | H17 | 65.9° | 65.9° |
| C9 | C10 | N3 | C13 | 178.5° | 178.5° |
| C9 | C10 | N3 | H22 | 1.6° | 1.6° |
| C10 | C9 | N2 | C4 | 84.2° | 84.2° |
| C11 | C9 | C10 | O3 | 101.7° | 101.7° |
| C9 | C11 | O4 | C12 | 121.2° | 121.2° |
| C9 | C11 | O4 | H17 | 119.4° | 119.4° |
| C9 | C11 | C12 | H17 | 118.9° | 118.9° |
| C9 | C11 | O4 | H18 | 180.0° | 180.0° |
| C9 | C11 | C12 | H19 | 180.0° | 180.0° |
| C9 | C11 | C12 | H20 | 60.0° | 60.0° |
| C9 | C11 | C12 | H21 | 60.0° | 60.0° |
| C11 | C9 | N2 | C4 | 156.3° | 156.3° |
| C11 | C9 | C10 | N3 | 78.3° | 78.3° |
| H16 | C9 | C10 | O3 | 140.0° | 140.0° |
| H16 | C9 | C11 | O4 | 172.8° | 172.8° |
| H16 | C9 | C11 | C12 | 66.4° | 66.4° |
| H16 | C9 | C11 | H17 | 52.6° | 52.5° |
| H16 | C9 | N2 | C4 | 35.3° | 35.3° |
| H16 | C9 | C10 | N3 | 39.9° | 39.9° |
| O3 | C10 | N3 | C13 | 1.6° | 1.6° |
| O3 | C10 | N3 | H22 | 178.4° | 178.4° |
| O4 | C11 | C12 | H17 | 120.3° | 120.2° |
| O4 | C11 | C12 | H19 | 59.2° | 59.2° |
| O4 | C11 | C12 | H20 | 179.2° | 179.2° |
| O4 | C11 | C12 | H21 | 60.9° | 60.9° |
| C12 | C11 | O4 | H18 | 58.9° | 58.9° |
| C11 | C12 | H19 | H20 | 120.0° | 120.0° |
| C11 | C12 | H19 | H21 | 120.0° | 120.0° |
| C11 | C12 | H20 | H21 | 120.0° | 120.0° |
| H17 | C11 | O4 | H18 | 60.6° | 60.5° |
| H17 | C11 | C12 | H19 | 61.1° | 61.1° |
| H17 | C11 | C12 | H20 | 58.9° | 58.9° |
| H17 | C11 | C12 | H21 | 178.9° | 178.9° |
| H19 | C12 | H20 | H21 | 120.0° | 120.0° |
| C13 | N3 | H22 | C10 | 180.0° | 180.0° |
| N3 | C13 | C14 | C15 | 123.3° | 123.3° |
| N3 | C13 | C14 | H23 | 119.5° | 119.5° |
| N3 | C13 | C15 | H23 | 119.4° | 119.4° |
| N3 | C13 | C14 | O5 | 136.5° | 136.5° |
| N3 | C13 | C15 | C16 | 171.6° | 171.6° |
| N3 | C13 | C15 | H24 | 68.0° | 67.9° |
| N3 | C13 | C15 | H25 | 51.0° | 51.0° |
| N3 | C13 | C14 | N4 | 43.3° | 43.3° |
| H22 | N3 | C13 | C14 | 122.8° | 122.8° |
| H22 | N3 | C13 | C15 | 0.4° | 0.4° |
| H22 | N3 | C13 | H23 | 118.3° | 118.3° |
| C14 | C13 | C15 | H23 | 117.3° | 117.3° |
| C13 | C14 | O5 | N4 | 179.8° | 179.8° |
| C14 | C13 | C15 | C16 | 48.2° | 48.2° |
| C14 | C13 | C15 | H24 | 168.7° | 168.7° |
| C14 | C13 | C15 | H25 | 72.3° | 72.3° |
| C13 | C14 | N4 | C23 | 176.7° | 176.7° |
| C13 | C14 | N4 | H36 | 3.3° | 3.3° |
| C14 | C13 | N3 | C10 | 57.3° | 57.3° |
| C15 | C13 | C14 | O5 | 100.2° | 100.2° |
| C13 | C15 | C16 | H24 | 120.5° | 120.6° |
| C13 | C15 | C16 | H25 | 120.5° | 120.5° |
| C13 | C15 | H24 | H25 | 118.4° | 118.4° |
| C13 | C15 | C16 | C17 | 74.0° | 74.0° |
| C13 | C15 | C16 | C18 | 101.2° | 101.2° |
| C15 | C13 | N3 | C10 | 179.6° | 179.6° |
| C15 | C13 | C14 | N4 | 80.0° | 80.0° |
| H23 | C13 | C14 | O5 | 17.0° | 17.0° |
| H23 | C13 | C15 | C16 | 69.1° | 69.1° |
| H23 | C13 | C15 | H24 | 51.4° | 51.5° |
| H23 | C13 | C15 | H25 | 170.4° | 170.4° |
| H23 | C13 | N3 | C10 | 61.6° | 61.6° |
| H23 | C13 | C14 | N4 | 162.8° | 162.8° |
| O5 | C14 | N4 | C23 | 3.1° | 3.1° |
| O5 | C14 | N4 | H36 | 176.8° | 176.8° |
| C16 | C15 | H24 | H25 | 118.4° | 118.4° |
| C15 | C16 | C17 | C18 | 175.2° | 175.2° |
| C15 | C16 | C17 | C19 | 174.8° | 174.8° |
| C15 | C16 | C17 | H26 | 5.2° | 5.2° |
| C15 | C16 | C18 | C20 | 174.8° | 174.8° |
| C15 | C16 | C18 | H27 | 5.2° | 5.2° |
| H24 | C15 | C16 | C17 | 46.6° | 46.6° |
| H24 | C15 | C16 | C18 | 138.3° | 138.3° |
| H25 | C15 | C16 | C17 | 165.5° | 165.5° |
| H25 | C15 | C16 | C18 | 19.3° | 19.3° |
| C16 | C17 | C19 | H26 | 180.0° | 180.0° |
| C17 | C16 | C18 | C20 | 0.4° | 0.4° |
| C17 | C16 | C18 | H27 | 179.6° | 179.6° |
| C16 | C17 | C19 | C21 | 0.1° | 0.1° |
| C16 | C17 | C19 | H28 | 180.0° | 180.0° |
| C18 | C16 | C17 | C19 | 0.4° | 0.4° |
| C18 | C16 | C17 | H26 | 179.6° | 179.6° |
| C16 | C18 | C20 | H27 | 180.0° | 180.0° |
| C16 | C18 | C20 | C21 | 0.0° | 0.0° |
| C16 | C18 | C20 | H29 | 180.0° | 180.0° |
| C17 | C19 | C21 | H28 | 180.0° | 180.0° |
| C17 | C19 | C21 | C20 | 0.3° | 0.3° |
| C17 | C19 | C21 | H30 | 179.7° | 179.7° |
| H26 | C17 | C19 | C21 | 180.0° | 180.0° |
| H26 | C17 | C19 | H28 | 0.0° | 0.0° |
| C18 | C20 | C21 | C19 | 0.4° | 0.4° |
| C18 | C20 | C21 | H29 | 180.0° | 180.0° |
| C18 | C20 | C21 | H30 | 179.6° | 179.6° |
| H27 | C18 | C20 | C21 | 180.0° | 180.0° |
| H27 | C18 | C20 | H29 | 0.0° | 0.0° |
| C19 | C21 | C20 | H30 | 180.0° | 180.0° |
| C19 | C21 | C20 | H29 | 179.6° | 179.6° |
| H28 | C19 | C21 | C20 | 179.6° | 179.6° |
| H28 | C19 | C21 | H30 | 0.4° | 0.4° |
| H29 | C20 | C21 | H30 | 0.4° | 0.4° |
| C31 | C30 | C29 | H45 | 120.2° | 120.2° |
| C31 | C30 | C29 | H46 | 120.2° | 120.2° |
| C31 | C30 | C29 | C28 | 177.3° | 177.3° |
| C31 | C30 | C29 | H43 | 62.6° | 62.5° |
| C31 | C30 | C29 | H44 | 57.1° | 57.1° |
| C31 | C30 | H45 | H46 | 119.4° | 119.4° |
| C30 | C31 | H47 | C76 | 180.0° | 180.0° |
| C30 | C31 | C76 | C75 | 179.4° | 179.4° |
| C30 | C31 | C76 | H103 | 0.6° | 0.6° |
| O6 | C22 | C23 | N5 | 179.8° | 179.8° |
| O6 | C22 | C23 | C24 | 106.0° | 106.0° |
| O6 | C22 | C23 | C25 | 15.6° | 15.6° |
| O6 | C22 | C23 | N4 | 132.9° | 132.9° |
| O6 | C22 | N5 | C32 | 4.5° | 4.5° |
| O6 | C22 | N5 | H48 | 175.5° | 175.5° |
| C30 | C29 | C28 | H43 | 120.1° | 120.2° |
| C30 | C29 | C28 | H44 | 120.1° | 120.1° |
| C30 | C29 | C28 | C27 | 64.4° | 64.4° |
| C30 | C29 | C28 | H41 | 175.4° | 175.4° |
| C30 | C29 | C28 | H42 | 55.9° | 55.8° |
| C30 | C29 | H43 | H44 | 119.6° | 119.6° |
| C29 | C30 | H45 | H46 | 119.4° | 119.4° |
| C29 | C30 | C31 | H47 | 42.8° | 42.8° |
| C29 | C30 | C31 | C76 | 137.2° | 137.2° |
| C29 | C28 | C27 | C26 | 70.4° | 70.4° |
| C29 | C28 | C27 | H41 | 120.2° | 120.2° |
| C29 | C28 | C27 | H42 | 120.2° | 120.2° |
| C29 | C28 | C27 | H39 | 49.8° | 49.8° |
| C29 | C28 | C27 | H40 | 169.4° | 169.4° |
| C29 | C28 | H41 | H42 | 119.4° | 119.4° |
| C28 | C29 | H43 | H44 | 119.6° | 119.6° |
| C28 | C29 | C30 | H45 | 57.1° | 57.1° |
| C28 | C29 | C30 | H46 | 62.5° | 62.5° |
| C22 | C23 | C24 | C25 | 124.8° | 124.8° |
| C22 | C23 | C24 | N4 | 120.8° | 120.8° |
| C22 | C23 | C25 | C26 | 71.6° | 71.6° |
| C22 | C23 | C25 | N4 | 120.1° | 120.1° |
| C22 | C23 | C24 | H31 | 180.0° | 180.0° |
| C22 | C23 | C24 | H32 | 60.0° | 60.0° |
| C22 | C23 | C24 | H33 | 60.0° | 60.0° |
| C22 | C23 | C25 | H34 | 167.6° | 167.6° |
| C22 | C23 | C25 | H35 | 49.3° | 49.3° |
| C22 | C23 | N4 | H36 | 130.9° | 130.9° |
| C23 | C22 | N5 | C32 | 175.3° | 175.3° |
| C23 | C22 | N5 | H48 | 4.7° | 4.7° |
| C22 | C23 | N4 | C14 | 49.1° | 49.1° |
| C24 | C23 | C25 | C26 | 50.6° | 50.6° |
| C24 | C23 | C25 | N4 | 117.8° | 117.8° |
| C23 | C24 | H31 | H32 | 120.0° | 120.0° |
| C23 | C24 | H31 | H33 | 120.0° | 120.0° |
| C23 | C24 | H32 | H33 | 120.0° | 120.0° |
| C24 | C23 | C25 | H34 | 70.3° | 70.3° |
| C24 | C23 | C25 | H35 | 171.4° | 171.4° |
| C24 | C23 | N4 | H36 | 10.3° | 10.3° |
| C24 | C23 | N4 | C14 | 169.7° | 169.7° |
| C24 | C23 | C22 | N5 | 73.8° | 73.8° |
| C27 | C26 | C25 | H37 | 120.1° | 120.1° |
| C27 | C26 | C25 | H38 | 120.1° | 120.1° |
| C26 | C27 | C28 | H39 | 120.2° | 120.2° |
| C26 | C27 | C28 | H40 | 120.2° | 120.2° |
| C27 | C26 | C25 | C23 | 177.4° | 177.4° |
| C27 | C26 | C25 | H34 | 61.8° | 61.8° |
| C27 | C26 | C25 | H35 | 56.5° | 56.5° |
| C27 | C26 | H37 | H38 | 119.7° | 119.7° |
| C26 | C27 | H39 | H40 | 119.3° | 119.3° |
| C26 | C27 | C28 | H41 | 49.8° | 49.8° |
| C26 | C27 | C28 | H42 | 169.4° | 169.4° |
| C25 | C26 | C27 | C28 | 171.2° | 171.2° |
| C26 | C25 | C23 | H34 | 120.9° | 120.9° |
| C26 | C25 | C23 | H35 | 120.9° | 120.9° |
| C26 | C25 | C23 | N4 | 168.3° | 168.3° |
| C26 | C25 | H34 | H35 | 117.4° | 117.4° |
| C25 | C26 | H37 | H38 | 119.7° | 119.7° |
| C25 | C26 | C27 | H39 | 68.6° | 68.6° |
| C25 | C26 | C27 | H40 | 51.0° | 51.0° |
| C28 | C27 | C26 | H37 | 68.7° | 68.7° |
| C28 | C27 | C26 | H38 | 51.1° | 51.1° |
| C28 | C27 | H39 | H40 | 119.3° | 119.3° |
| C27 | C28 | H41 | H42 | 119.4° | 119.4° |
| C27 | C28 | C29 | H43 | 55.7° | 55.8° |
| C27 | C28 | C29 | H44 | 175.5° | 175.5° |
| C25 | C23 | C24 | H31 | 55.2° | 55.2° |
| C25 | C23 | C24 | H32 | 175.2° | 175.2° |
| C25 | C23 | C24 | H33 | 64.8° | 64.8° |
| C23 | C25 | H34 | H35 | 117.3° | 117.3° |
| C25 | C23 | N4 | H36 | 106.3° | 106.3° |
| C23 | C25 | C26 | H37 | 57.3° | 57.3° |
| C23 | C25 | C26 | H38 | 62.6° | 62.6° |
| C25 | C23 | N4 | C14 | 73.7° | 73.7° |
| C25 | C23 | C22 | N5 | 164.6° | 164.6° |
| N4 | C23 | C24 | H31 | 59.2° | 59.2° |
| N4 | C23 | C24 | H32 | 60.8° | 60.8° |
| N4 | C23 | C24 | H33 | 179.2° | 179.2° |
| N4 | C23 | C25 | H34 | 47.5° | 47.5° |
| N4 | C23 | C25 | H35 | 70.8° | 70.8° |
| C23 | N4 | H36 | C14 | 180.0° | 180.0° |
| N4 | C23 | C22 | N5 | 47.2° | 47.2° |
| H31 | C24 | H32 | H33 | 120.0° | 120.0° |
| H34 | C25 | C26 | H37 | 178.1° | 178.1° |
| H34 | C25 | C26 | H38 | 58.3° | 58.3° |
| H35 | C25 | C26 | H37 | 63.6° | 63.6° |
| H35 | C25 | C26 | H38 | 176.6° | 176.6° |
| H37 | C26 | C27 | H39 | 51.5° | 51.5° |
| H37 | C26 | C27 | H40 | 171.1° | 171.1° |
| H38 | C26 | C27 | H39 | 171.3° | 171.3° |
| H38 | C26 | C27 | H40 | 69.1° | 69.1° |
| H39 | C27 | C28 | H41 | 170.0° | 170.0° |
| H39 | C27 | C28 | H42 | 70.4° | 70.3° |
| H40 | C27 | C28 | H41 | 70.4° | 70.4° |
| H40 | C27 | C28 | H42 | 49.2° | 49.2° |
| H41 | C28 | C29 | H43 | 64.5° | 64.4° |
| H41 | C28 | C29 | H44 | 55.3° | 55.3° |
| H42 | C28 | C29 | H43 | 176.0° | 176.0° |
| H42 | C28 | C29 | H44 | 64.3° | 64.3° |
| H43 | C29 | C30 | H45 | 177.2° | 177.3° |
| H43 | C29 | C30 | H46 | 57.6° | 57.7° |
| H44 | C29 | C30 | H45 | 63.1° | 63.1° |
| H44 | C29 | C30 | H46 | 177.3° | 177.3° |
| H45 | C30 | C31 | H47 | 163.0° | 163.0° |
| H45 | C30 | C31 | C76 | 17.0° | 17.0° |
| H46 | C30 | C31 | H47 | 77.4° | 77.4° |
| H46 | C30 | C31 | C76 | 102.7° | 102.7° |
| H47 | C31 | C76 | C75 | 0.6° | 0.6° |
| H47 | C31 | C76 | H103 | 179.4° | 179.4° |
| C32 | N5 | H48 | C22 | 180.0° | 180.0° |
| N5 | C32 | C33 | C34 | 123.2° | 123.2° |
| N5 | C32 | C33 | H49 | 119.2° | 119.2° |
| N5 | C32 | C34 | H49 | 118.3° | 118.3° |
| N5 | C32 | C33 | O7 | 138.1° | 138.1° |
| N5 | C32 | C34 | C35 | 66.5° | 66.5° |
| N5 | C32 | C34 | H50 | 53.9° | 53.9° |
| N5 | C32 | C34 | H51 | 173.1° | 173.1° |
| N5 | C32 | C33 | N6 | 40.9° | 40.9° |
| H48 | N5 | C32 | C33 | 111.3° | 111.3° |
| H48 | N5 | C32 | C34 | 12.2° | 12.2° |
| H48 | N5 | C32 | H49 | 129.9° | 129.9° |
| C33 | C32 | C34 | H49 | 117.5° | 117.5° |
| C32 | C33 | O7 | N6 | 178.9° | 178.9° |
| C33 | C32 | C34 | C35 | 169.3° | 169.3° |
| C33 | C32 | C34 | H50 | 70.3° | 70.3° |
| C33 | C32 | C34 | H51 | 48.9° | 48.9° |
| C32 | C33 | N6 | C37 | 176.2° | 176.2° |
| C32 | C33 | N6 | H55 | 3.8° | 3.8° |
| C33 | C32 | N5 | C22 | 68.7° | 68.7° |
| C34 | C32 | C33 | O7 | 98.7° | 98.7° |
| C32 | C34 | C35 | H50 | 120.4° | 120.4° |
| C32 | C34 | C35 | H51 | 120.4° | 120.4° |
| C32 | C34 | H50 | H51 | 118.8° | 118.8° |
| C32 | C34 | C35 | C36 | 174.3° | 174.3° |
| C32 | C34 | C35 | H52 | 65.1° | 65.1° |
| C32 | C34 | C35 | H53 | 53.7° | 53.7° |
| C34 | C32 | N5 | C22 | 167.8° | 167.8° |
| C34 | C32 | C33 | N6 | 82.4° | 82.4° |
| H49 | C32 | C33 | O7 | 18.9° | 18.9° |
| H49 | C32 | C34 | C35 | 51.8° | 51.8° |
| H49 | C32 | C34 | H50 | 172.2° | 172.2° |
| H49 | C32 | C34 | H51 | 68.6° | 68.6° |
| H49 | C32 | N5 | C22 | 50.1° | 50.1° |
| H49 | C32 | C33 | N6 | 160.1° | 160.1° |
| O7 | C33 | N6 | C37 | 2.7° | 2.7° |
| O7 | C33 | N6 | H55 | 177.3° | 177.3° |
| C35 | C34 | H50 | H51 | 118.9° | 118.9° |
| C34 | C35 | C36 | H52 | 120.6° | 120.6° |
| C34 | C35 | C36 | H53 | 120.6° | 120.6° |
| C34 | C35 | H52 | H53 | 118.1° | 118.1° |
| C34 | C35 | C36 | O8 | 45.1° | 45.1° |
| C34 | C35 | C36 | O9 | 135.3° | 135.3° |
| H50 | C34 | C35 | C36 | 53.9° | 53.9° |
| H50 | C34 | C35 | H52 | 174.5° | 174.5° |
| H50 | C34 | C35 | H53 | 66.7° | 66.7° |
| H51 | C34 | C35 | C36 | 65.4° | 65.4° |
| H51 | C34 | C35 | H52 | 55.2° | 55.2° |
| H51 | C34 | C35 | H53 | 174.0° | 174.0° |
| C36 | C35 | H52 | H53 | 118.1° | 118.1° |
| C35 | C36 | O8 | O9 | 179.6° | 179.6° |
| C35 | C36 | O9 | H54 | 179.6° | 179.6° |
| H52 | C35 | C36 | O8 | 165.7° | 165.7° |
| H52 | C35 | C36 | O9 | 14.7° | 14.7° |
| H53 | C35 | C36 | O8 | 75.5° | 75.5° |
| H53 | C35 | C36 | O9 | 104.1° | 104.1° |
| O8 | C36 | O9 | H54 | 0.0° | 0.0° |
| C37 | N6 | H55 | C33 | 180.0° | 180.0° |
| N6 | C37 | C38 | C39 | 123.4° | 123.4° |
| N6 | C37 | C38 | H56 | 119.8° | 119.8° |
| N6 | C37 | C39 | H56 | 118.9° | 118.9° |
| N6 | C37 | C38 | O10 | 136.4° | 136.4° |
| N6 | C37 | C39 | C40 | 75.9° | 75.9° |
| N6 | C37 | C39 | H57 | 44.7° | 44.7° |
| N6 | C37 | C39 | H58 | 163.5° | 163.5° |
| N6 | C37 | C38 | N7 | 44.1° | 44.1° |
| H55 | N6 | C37 | C38 | 116.7° | 116.7° |
| H55 | N6 | C37 | C39 | 5.5° | 5.5° |
| H55 | N6 | C37 | H56 | 123.9° | 123.9° |
| C38 | C37 | C39 | H56 | 116.9° | 116.9° |
| C37 | C38 | O10 | N7 | 179.5° | 179.5° |
| C38 | C37 | C39 | C40 | 159.9° | 159.9° |
| C38 | C37 | C39 | H57 | 79.6° | 79.6° |
| C38 | C37 | C39 | H58 | 39.3° | 39.3° |
| C37 | C38 | N7 | C46 | 177.6° | 177.6° |
| C37 | C38 | N7 | H64 | 2.4° | 2.4° |
| C38 | C37 | N6 | C33 | 63.2° | 63.2° |
| C39 | C37 | C38 | O10 | 100.2° | 100.2° |
| C37 | C39 | C40 | H57 | 120.6° | 120.6° |
| C37 | C39 | C40 | H58 | 120.6° | 120.6° |
| C37 | C39 | H57 | H58 | 118.2° | 118.2° |
| C37 | C39 | C40 | C41 | 122.9° | 122.9° |
| C37 | C39 | C40 | C42 | 57.2° | 57.2° |
| C39 | C37 | N6 | C33 | 174.6° | 174.6° |
| C39 | C37 | C38 | N7 | 79.3° | 79.3° |
| H56 | C37 | C38 | O10 | 16.6° | 16.6° |
| H56 | C37 | C39 | C40 | 43.0° | 43.0° |
| H56 | C37 | C39 | H57 | 163.6° | 163.6° |
| H56 | C37 | C39 | H58 | 77.6° | 77.6° |
| H56 | C37 | N6 | C33 | 56.2° | 56.2° |
| H56 | C37 | C38 | N7 | 163.9° | 163.9° |
| O10 | C38 | N7 | C46 | 1.9° | 1.9° |
| O10 | C38 | N7 | H64 | 178.1° | 178.1° |
| C40 | C39 | H57 | H58 | 118.2° | 118.2° |
| C39 | C40 | C41 | C42 | 180.0° | 180.0° |
| C39 | C40 | C41 | C43 | 180.0° | 180.0° |
| C39 | C40 | C41 | H59 | 0.0° | 0.0° |
| C39 | C40 | C42 | C44 | 180.0° | 180.0° |
| C39 | C40 | C42 | H60 | 0.0° | 0.1° |
| H57 | C39 | C40 | C41 | 2.3° | 2.3° |
| H57 | C39 | C40 | C42 | 177.7° | 177.7° |
| H58 | C39 | C40 | C41 | 116.5° | 116.5° |
| H58 | C39 | C40 | C42 | 63.4° | 63.4° |
| C40 | C41 | C43 | H59 | 180.0° | 180.0° |
| C41 | C40 | C42 | C44 | 0.1° | 0.1° |
| C41 | C40 | C42 | H60 | 179.9° | 179.9° |
| C40 | C41 | C43 | C45 | 0.1° | 0.1° |
| C40 | C41 | C43 | H61 | 179.9° | 179.9° |
| C42 | C40 | C41 | C43 | 0.0° | 0.0° |
| C42 | C40 | C41 | H59 | 180.0° | 180.0° |
| C40 | C42 | C44 | H60 | 180.0° | 180.0° |
| C40 | C42 | C44 | C45 | 0.0° | 0.0° |
| C40 | C42 | C44 | H62 | 180.0° | 180.0° |
| C41 | C43 | C45 | H61 | 180.0° | 180.0° |
| C41 | C43 | C45 | C44 | 0.1° | 0.1° |
| C41 | C43 | C45 | O11 | 179.4° | 179.4° |
| H59 | C41 | C43 | C45 | 179.9° | 179.9° |
| H59 | C41 | C43 | H61 | 0.1° | 0.1° |
| C42 | C44 | C45 | C43 | 0.1° | 0.1° |
| C42 | C44 | C45 | H62 | 180.0° | 180.0° |
| C42 | C44 | C45 | O11 | 179.4° | 179.4° |
| H60 | C42 | C44 | C45 | 180.0° | 180.0° |
| H60 | C42 | C44 | H62 | 0.0° | 0.0° |
| C43 | C45 | C44 | O11 | 179.5° | 179.5° |
| C43 | C45 | C44 | H62 | 179.9° | 179.9° |
| C43 | C45 | O11 | H63 | 180.0° | 180.0° |
| H61 | C43 | C45 | C44 | 179.9° | 179.9° |
| H61 | C43 | C45 | O11 | 0.6° | 0.6° |
| C44 | C45 | O11 | H63 | 0.5° | 0.5° |
| H62 | C44 | C45 | O11 | 0.6° | 0.6° |
| C46 | N7 | H64 | C38 | 180.0° | 180.0° |
| N7 | C46 | C47 | C48 | 122.9° | 122.9° |
| N7 | C46 | C47 | H65 | 119.5° | 119.5° |
| N7 | C46 | C48 | H65 | 119.6° | 119.6° |
| N7 | C46 | C47 | O12 | 144.0° | 144.0° |
| N7 | C46 | C48 | C49 | 161.4° | 161.4° |
| N7 | C46 | C48 | H66 | 41.1° | 41.1° |
| N7 | C46 | C48 | H67 | 78.3° | 78.3° |
| N7 | C46 | C47 | N9 | 35.7° | 35.7° |
| H64 | N7 | C46 | C47 | 111.2° | 111.2° |
| H64 | N7 | C46 | C48 | 10.8° | 10.8° |
| H64 | N7 | C46 | H65 | 129.9° | 129.9° |
| C47 | C46 | C48 | H65 | 117.5° | 117.5° |
| C46 | C47 | O12 | N9 | 179.8° | 179.8° |
| C47 | C46 | C48 | C49 | 75.7° | 75.7° |
| C47 | C46 | C48 | H66 | 163.9° | 163.9° |
| C47 | C46 | C48 | H67 | 44.6° | 44.6° |
| C46 | C47 | N9 | C57 | 178.9° | 178.9° |
| C46 | C47 | N9 | H74 | 1.1° | 1.1° |
| C47 | C46 | N7 | C38 | 68.9° | 68.9° |
| C48 | C46 | C47 | O12 | 93.0° | 93.0° |
| C46 | C48 | C49 | H66 | 120.3° | 120.3° |
| C46 | C48 | C49 | H67 | 120.3° | 120.3° |
| C46 | C48 | H66 | H67 | 119.0° | 119.0° |
| C46 | C48 | C49 | C50 | 94.3° | 94.3° |
| C46 | C48 | C49 | C51 | 83.4° | 83.4° |
| C48 | C46 | N7 | C38 | 169.2° | 169.2° |
| C48 | C46 | C47 | N9 | 87.2° | 87.2° |
| H65 | C46 | C47 | O12 | 24.5° | 24.5° |
| H65 | C46 | C48 | C49 | 41.8° | 41.8° |
| H65 | C46 | C48 | H66 | 78.5° | 78.5° |
| H65 | C46 | C48 | H67 | 162.1° | 162.1° |
| H65 | C46 | N7 | C38 | 50.1° | 50.1° |
| H65 | C46 | C47 | N9 | 155.3° | 155.3° |
| O12 | C47 | N9 | C57 | 0.9° | 0.9° |
| O12 | C47 | N9 | H74 | 179.1° | 179.1° |
| C49 | C48 | H66 | H67 | 119.0° | 119.0° |
| C48 | C49 | C50 | C51 | 178.1° | 178.1° |
| C48 | C49 | C50 | N8 | 178.0° | 178.0° |
| C48 | C49 | C50 | H68 | 2.0° | 2.0° |
| C48 | C49 | C51 | C52 | 178.1° | 178.1° |
| C48 | C49 | C51 | C53 | 2.1° | 2.1° |
| H66 | C48 | C49 | C50 | 145.4° | 145.4° |
| H66 | C48 | C49 | C51 | 36.9° | 36.9° |
| H67 | C48 | C49 | C50 | 26.1° | 26.1° |
| H67 | C48 | C49 | C51 | 156.2° | 156.2° |
| C49 | C50 | N8 | H68 | 180.0° | 180.0° |
| C50 | C49 | C51 | C52 | 0.0° | 0.0° |
| C50 | C49 | C51 | C53 | 179.8° | 179.8° |
| C49 | C50 | N8 | C52 | 0.2° | 0.2° |
| C49 | C50 | N8 | H69 | 179.8° | 179.7° |
| C51 | C49 | C50 | N8 | 0.1° | 0.1° |
| C51 | C49 | C50 | H68 | 179.9° | 179.9° |
| C49 | C51 | C52 | C53 | 179.8° | 179.8° |
| C49 | C51 | C52 | N8 | 0.1° | 0.1° |
| C49 | C51 | C52 | C54 | 179.8° | 179.8° |
| C49 | C51 | C53 | C55 | 179.8° | 179.8° |
| C49 | C51 | C53 | H70 | 0.2° | 0.2° |
| C50 | N8 | C52 | C51 | 0.2° | 0.2° |
| C50 | N8 | C52 | H69 | 180.0° | 180.0° |
| C50 | N8 | C52 | C54 | 179.8° | 179.8° |
| H68 | C50 | N8 | C52 | 179.8° | 179.8° |
| H68 | C50 | N8 | H69 | 0.2° | 0.2° |
| C51 | C52 | N8 | C54 | 180.0° | 180.0° |
| C51 | C52 | N8 | H69 | 179.8° | 179.7° |
| C52 | C51 | C53 | C55 | 0.0° | 0.0° |
| C52 | C51 | C53 | H70 | 180.0° | 180.0° |
| C51 | C52 | C54 | C56 | 0.0° | 0.0° |
| C51 | C52 | C54 | H71 | 180.0° | 180.0° |
| C53 | C51 | C52 | N8 | 180.0° | 180.0° |
| C53 | C51 | C52 | C54 | 0.0° | 0.0° |
| C51 | C53 | C55 | H70 | 180.0° | 180.0° |
| C51 | C53 | C55 | C56 | 0.1° | 0.1° |
| C51 | C53 | C55 | H72 | 179.9° | 179.9° |
| N8 | C52 | C54 | C56 | 179.9° | 179.9° |
| N8 | C52 | C54 | H71 | 0.1° | 0.1° |
| H69 | N8 | C52 | C54 | 0.2° | 0.3° |
| C52 | C54 | C56 | H71 | 180.0° | 180.0° |
| C52 | C54 | C56 | C55 | 0.1° | 0.1° |
| C52 | C54 | C56 | H73 | 179.9° | 179.9° |
| C53 | C55 | C56 | C54 | 0.2° | 0.2° |
| C53 | C55 | C56 | H72 | 180.0° | 180.0° |
| C53 | C55 | C56 | H73 | 179.8° | 179.8° |
| H70 | C53 | C55 | C56 | 179.9° | 179.9° |
| H70 | C53 | C55 | H72 | 0.1° | 0.1° |
| C54 | C56 | C55 | H73 | 180.0° | 180.0° |
| C54 | C56 | C55 | H72 | 179.8° | 179.8° |
| H71 | C54 | C56 | C55 | 179.9° | 179.9° |
| H71 | C54 | C56 | H73 | 0.1° | 0.1° |
| H72 | C55 | C56 | H73 | 0.2° | 0.1° |
| C57 | N9 | H74 | C47 | 180.0° | 180.0° |
| N9 | C57 | C58 | C59 | 121.5° | 121.5° |
| N9 | C57 | C58 | H75 | 119.8° | 119.8° |
| N9 | C57 | C59 | H75 | 119.8° | 119.8° |
| N9 | C57 | C58 | O13 | 141.4° | 141.4° |
| N9 | C57 | C59 | H76 | 180.0° | 180.0° |
| N9 | C57 | C59 | H77 | 60.0° | 60.0° |
| N9 | C57 | C59 | H78 | 60.0° | 60.0° |
| N9 | C57 | C58 | N10 | 38.4° | 38.4° |
| H74 | N9 | C57 | C58 | 120.6° | 120.6° |
| H74 | N9 | C57 | C59 | 0.9° | 0.9° |
| H74 | N9 | C57 | H75 | 120.2° | 120.2° |
| C58 | C57 | C59 | H75 | 118.7° | 118.7° |
| C57 | C58 | O13 | N10 | 179.8° | 179.8° |
| C58 | C57 | C59 | H76 | 58.5° | 58.5° |
| C58 | C57 | C59 | H77 | 178.5° | 178.5° |
| C58 | C57 | C59 | H78 | 61.5° | 61.5° |
| C57 | C58 | N10 | C60 | 177.4° | 177.4° |
| C57 | C58 | N10 | H79 | 2.6° | 2.6° |
| C58 | C57 | N9 | C47 | 59.4° | 59.4° |
| C59 | C57 | C58 | O13 | 97.1° | 97.1° |
| C57 | C59 | H76 | H77 | 120.0° | 120.0° |
| C57 | C59 | H76 | H78 | 120.0° | 120.0° |
| C57 | C59 | H77 | H78 | 120.0° | 120.0° |
| C59 | C57 | N9 | C47 | 179.1° | 179.1° |
| C59 | C57 | C58 | N10 | 83.1° | 83.1° |
| H75 | C57 | C58 | O13 | 21.6° | 21.6° |
| H75 | C57 | C59 | H76 | 60.2° | 60.2° |
| H75 | C57 | C59 | H77 | 59.8° | 59.8° |
| H75 | C57 | C59 | H78 | 179.8° | 179.8° |
| H75 | C57 | N9 | C47 | 59.8° | 59.8° |
| H75 | C57 | C58 | N10 | 158.2° | 158.2° |
| O13 | C58 | N10 | C60 | 2.4° | 2.4° |
| O13 | C58 | N10 | H79 | 177.6° | 177.6° |
| H76 | C59 | H77 | H78 | 120.0° | 120.0° |
| C60 | N10 | H79 | C58 | 180.0° | 180.0° |
| N10 | C60 | C61 | C62 | 121.5° | 121.5° |
| N10 | C60 | C61 | H80 | 120.4° | 120.4° |
| N10 | C60 | C62 | H80 | 120.7° | 120.7° |
| N10 | C60 | C61 | O14 | 139.6° | 139.6° |
| N10 | C60 | C62 | C63 | 65.6° | 65.6° |
| N10 | C60 | C62 | H81 | 55.2° | 55.2° |
| N10 | C60 | C62 | H82 | 173.5° | 173.5° |
| N10 | C60 | C61 | N12 | 41.1° | 41.1° |
| H79 | N10 | C60 | C61 | 115.2° | 115.2° |
| H79 | N10 | C60 | C62 | 4.6° | 4.6° |
| H79 | N10 | C60 | H80 | 124.8° | 124.8° |
| C61 | C60 | C62 | H80 | 118.2° | 118.2° |
| C60 | C61 | O14 | N12 | 179.3° | 179.3° |
| C61 | C60 | C62 | C63 | 173.2° | 173.2° |
| C61 | C60 | C62 | H81 | 65.9° | 65.9° |
| C61 | C60 | C62 | H82 | 52.3° | 52.3° |
| C60 | C61 | N12 | C65 | 177.9° | 177.9° |
| C60 | C61 | N12 | H87 | 2.2° | 2.1° |
| C61 | C60 | N10 | C58 | 64.8° | 64.8° |
| C62 | C60 | C61 | O14 | 98.9° | 98.9° |
| C60 | C62 | C63 | H81 | 120.9° | 120.9° |
| C60 | C62 | C63 | H82 | 120.9° | 120.9° |
| C60 | C62 | H81 | H82 | 117.3° | 117.3° |
| C60 | C62 | C63 | C64 | 177.1° | 177.1° |
| C60 | C62 | C63 | H83 | 56.8° | 56.8° |
| C60 | C62 | C63 | H84 | 62.5° | 62.5° |
| C62 | C60 | N10 | C58 | 175.4° | 175.4° |
| C62 | C60 | C61 | N12 | 80.4° | 80.4° |
| H80 | C60 | C61 | O14 | 19.2° | 19.2° |
| H80 | C60 | C62 | C63 | 55.0° | 55.0° |
| H80 | C60 | C62 | H81 | 175.9° | 175.9° |
| H80 | C60 | C62 | H82 | 65.8° | 65.8° |
| H80 | C60 | N10 | C58 | 55.2° | 55.2° |
| H80 | C60 | C61 | N12 | 161.5° | 161.5° |
| O14 | C61 | N12 | C65 | 1.4° | 1.4° |
| O14 | C61 | N12 | H87 | 178.5° | 178.6° |
| C63 | C62 | H81 | H82 | 117.3° | 117.3° |
| C62 | C63 | C64 | H83 | 120.4° | 120.4° |
| C62 | C63 | C64 | H84 | 120.3° | 120.3° |
| C62 | C63 | H83 | H84 | 118.9° | 118.9° |
| C62 | C63 | C64 | O15 | 155.8° | 155.8° |
| C62 | C63 | C64 | N11 | 24.1° | 24.1° |
| H81 | C62 | C63 | C64 | 62.0° | 62.0° |
| H81 | C62 | C63 | H83 | 177.7° | 177.7° |
| H81 | C62 | C63 | H84 | 58.4° | 58.4° |
| H82 | C62 | C63 | C64 | 56.3° | 56.3° |
| H82 | C62 | C63 | H83 | 64.1° | 64.1° |
| H82 | C62 | C63 | H84 | 176.6° | 176.6° |
| C64 | C63 | H83 | H84 | 118.9° | 118.9° |
| C63 | C64 | O15 | N11 | 179.8° | 179.8° |
| C63 | C64 | N11 | H85 | 179.9° | 179.9° |
| C63 | C64 | N11 | H86 | 0.2° | 0.2° |
| H83 | C63 | C64 | O15 | 35.4° | 35.4° |
| H83 | C63 | C64 | N11 | 144.5° | 144.5° |
| H84 | C63 | C64 | O15 | 83.9° | 83.9° |
| H84 | C63 | C64 | N11 | 96.3° | 96.3° |
| O15 | C64 | N11 | H85 | 0.0° | 0.0° |
| O15 | C64 | N11 | H86 | 180.0° | 180.0° |
| C64 | N11 | H85 | H86 | 180.0° | 179.9° |
| N12 | C65 | C67 | C66 | 121.2° | 121.2° |
| N12 | C65 | C67 | H88 | 119.9° | 119.9° |
| N12 | C65 | C66 | H88 | 119.8° | 119.8° |
| N12 | C65 | C67 | O16 | 136.8° | 136.8° |
| N12 | C65 | C66 | C68 | 170.0° | 170.0° |
| C65 | N12 | H87 | C61 | 180.0° | 180.0° |
| N12 | C65 | C66 | H89 | 48.9° | 48.9° |
| N12 | C65 | C66 | H90 | 68.9° | 68.9° |
| N12 | C65 | C67 | N13 | 42.5° | 42.5° |
| C67 | C65 | C66 | H88 | 119.0° | 119.0° |
| C65 | C67 | O16 | N13 | 179.2° | 179.2° |
| C67 | C65 | C66 | C68 | 68.8° | 68.8° |
| C67 | C65 | N12 | H87 | 111.1° | 111.1° |
| C67 | C65 | C66 | H89 | 170.1° | 170.1° |
| C67 | C65 | C66 | H90 | 52.3° | 52.3° |
| C65 | C67 | N13 | H98 | 1.1° | 1.1° |
| C65 | C67 | N13 | C73 | 178.9° | 178.9° |
| C67 | C65 | N12 | C61 | 68.9° | 68.9° |
| C66 | C65 | C67 | O16 | 102.0° | 102.0° |
| C65 | C66 | C68 | H89 | 121.1° | 121.1° |
| C65 | C66 | C68 | H90 | 121.1° | 121.1° |
| C65 | C66 | C68 | C70 | 75.3° | 75.3° |
| C65 | C66 | C68 | C69 | 176.2° | 176.2° |
| C66 | C65 | N12 | H87 | 10.6° | 10.5° |
| C65 | C66 | H89 | H90 | 116.5° | 116.5° |
| C65 | C66 | C68 | H91 | 48.9° | 48.9° |
| C66 | C65 | N12 | C61 | 169.5° | 169.5° |
| C66 | C65 | C67 | N13 | 78.7° | 78.7° |
| O16 | C67 | C65 | H88 | 16.9° | 16.9° |
| O16 | C67 | N13 | H98 | 179.7° | 179.6° |
| O16 | C67 | N13 | C73 | 0.3° | 0.3° |
| C66 | C68 | C70 | C69 | 124.6° | 124.6° |
| C66 | C68 | C70 | H91 | 124.2° | 124.2° |
| C66 | C68 | C69 | H91 | 127.1° | 127.1° |
| C66 | C68 | C70 | C71 | 125.1° | 125.1° |
| C66 | C68 | C69 | C71 | 122.2° | 122.2° |
| C68 | C66 | C65 | H88 | 50.2° | 50.2° |
| C68 | C66 | H89 | H90 | 116.5° | 116.5° |
| C66 | C68 | C69 | H92 | 121.1° | 121.1° |
| C66 | C68 | C69 | H93 | 5.5° | 5.5° |
| C66 | C68 | C70 | H94 | 8.5° | 8.5° |
| C66 | C68 | C70 | H95 | 118.3° | 118.3° |
| C70 | C68 | C69 | H91 | 111.2° | 111.2° |
| C68 | C70 | C71 | H94 | 116.6° | 116.6° |
| C68 | C70 | C71 | H95 | 116.6° | 116.6° |
| C70 | C68 | C69 | C71 | 0.6° | 0.6° |
| C70 | C68 | C66 | H89 | 163.6° | 163.6° |
| C70 | C68 | C66 | H90 | 45.8° | 45.8° |
| C70 | C68 | C69 | H92 | 117.3° | 117.3° |
| C70 | C68 | C69 | H93 | 116.2° | 116.2° |
| C68 | C70 | H94 | H95 | 129.1° | 129.1° |
| C68 | C70 | C71 | H96 | 116.6° | 116.6° |
| C68 | C70 | C71 | H97 | 115.6° | 115.5° |
| C68 | C69 | C71 | H92 | 116.7° | 116.7° |
| C68 | C69 | C71 | H93 | 116.7° | 116.7° |
| C69 | C68 | C66 | H89 | 55.1° | 55.1° |
| C69 | C68 | C66 | H90 | 62.7° | 62.7° |
| C68 | C69 | H92 | H93 | 128.9° | 128.9° |
| C69 | C68 | C70 | H94 | 116.0° | 116.0° |
| C69 | C68 | C70 | H95 | 117.2° | 117.2° |
| C68 | C69 | C71 | H96 | 116.6° | 116.6° |
| C68 | C69 | C71 | H97 | 115.5° | 115.6° |
| C70 | C71 | C69 | H96 | 116.1° | 116.1° |
| C70 | C71 | C69 | H97 | 116.1° | 116.1° |
| C71 | C70 | C68 | H91 | 110.7° | 110.7° |
| C70 | C71 | C69 | H92 | 117.2° | 117.2° |
| C70 | C71 | C69 | H93 | 116.1° | 116.1° |
| C71 | C70 | H94 | H95 | 129.1° | 129.1° |
| C70 | C71 | H96 | H97 | 130.4° | 130.4° |
| C71 | C69 | C68 | H91 | 110.7° | 110.7° |
| C71 | C69 | H92 | H93 | 129.0° | 129.0° |
| C69 | C71 | C70 | H94 | 116.1° | 116.1° |
| C69 | C71 | C70 | H95 | 117.1° | 117.1° |
| C69 | C71 | H96 | H97 | 130.4° | 130.4° |
| H87 | N12 | C65 | H88 | 129.7° | 129.6° |
| H88 | C65 | C66 | H89 | 70.9° | 70.9° |
| H88 | C65 | C66 | H90 | 171.3° | 171.3° |
| H88 | C65 | N12 | C61 | 50.4° | 50.4° |
| H88 | C65 | C67 | N13 | 162.3° | 162.3° |
| H89 | C66 | C68 | H91 | 72.1° | 72.1° |
| H90 | C66 | C68 | H91 | 170.1° | 170.1° |
| H91 | C68 | C69 | H92 | 6.0° | 6.0° |
| H91 | C68 | C69 | H93 | 132.6° | 132.6° |
| H91 | C68 | C70 | H94 | 132.7° | 132.7° |
| H91 | C68 | C70 | H95 | 5.9° | 5.9° |
| H92 | C69 | C71 | H96 | 126.7° | 126.7° |
| H92 | C69 | C71 | H97 | 1.1° | 1.1° |
| H93 | C69 | C71 | H96 | 0.1° | 0.1° |
| H93 | C69 | C71 | H97 | 127.8° | 127.7° |
| H94 | C70 | C71 | H96 | 0.0° | 0.0° |
| H94 | C70 | C71 | H97 | 127.8° | 127.9° |
| H95 | C70 | C71 | H96 | 126.8° | 126.8° |
| H95 | C70 | C71 | H97 | 1.0° | 1.1° |
| C72 | C73 | N13 | H98 | 119.9° | 120.0° |
| C73 | C72 | O17 | N14 | 179.7° | 179.7° |
| C72 | C73 | N13 | C74 | 117.7° | 117.7° |
| C72 | C73 | N13 | C78 | 122.0° | 122.0° |
| C72 | C73 | C74 | C78 | 123.0° | 123.0° |
| C72 | C73 | C74 | H99 | 174.7° | 174.7° |
| C72 | C73 | C74 | H100 | 56.1° | 56.1° |
| C72 | C73 | C74 | C77 | 64.6° | 64.6° |
| C72 | C73 | C78 | H106 | 180.0° | 180.0° |
| C72 | C73 | C78 | H107 | 60.0° | 60.0° |
| C72 | C73 | C78 | H108 | 60.0° | 60.0° |
| C73 | C72 | N14 | C79 | 178.2° | 178.2° |
| C73 | C72 | N14 | H109 | 1.8° | 1.8° |
| C72 | C73 | N13 | C67 | 60.1° | 60.1° |
| H98 | N13 | C73 | C67 | 180.0° | 180.0° |
| H98 | N13 | C73 | C74 | 2.2° | 2.3° |
| H98 | N13 | C73 | C78 | 118.1° | 118.0° |
| O17 | C72 | C73 | N13 | 133.7° | 133.7° |
| O17 | C72 | C73 | C74 | 112.6° | 112.6° |
| O17 | C72 | C73 | C78 | 11.7° | 11.7° |
| O17 | C72 | N14 | C79 | 2.1° | 2.1° |
| O17 | C72 | N14 | H109 | 177.9° | 177.9° |
| N13 | C73 | C74 | C78 | 118.9° | 118.9° |
| N13 | C73 | C74 | H99 | 56.6° | 56.6° |
| N13 | C73 | C74 | H100 | 62.0° | 62.0° |
| N13 | C73 | C74 | C77 | 177.3° | 177.3° |
| N13 | C73 | C78 | H106 | 57.8° | 57.8° |
| N13 | C73 | C78 | H107 | 177.8° | 177.8° |
| N13 | C73 | C78 | H108 | 62.2° | 62.2° |
| N13 | C73 | C72 | N14 | 46.0° | 46.0° |
| C73 | C74 | H99 | H100 | 117.9° | 117.9° |
| C73 | C74 | H99 | C77 | 124.2° | 124.2° |
| C73 | C74 | H100 | C77 | 124.2° | 124.2° |
| C73 | C74 | C77 | C75 | 170.1° | 170.1° |
| C73 | C74 | C77 | H104 | 69.7° | 69.7° |
| C73 | C74 | C77 | H105 | 50.0° | 50.0° |
| C74 | C73 | C78 | H106 | 57.1° | 57.1° |
| C74 | C73 | C78 | H107 | 62.9° | 62.9° |
| C74 | C73 | C78 | H108 | 177.1° | 177.1° |
| C74 | C73 | N13 | C67 | 177.7° | 177.7° |
| C74 | C73 | C72 | N14 | 67.8° | 67.8° |
| H99 | C74 | H100 | C77 | 117.9° | 117.9° |
| H99 | C74 | C77 | C75 | 69.2° | 69.2° |
| H99 | C74 | C77 | H104 | 50.9° | 51.0° |
| H99 | C74 | C77 | H105 | 170.6° | 170.6° |
| H99 | C74 | C73 | C78 | 62.3° | 62.3° |
| H100 | C74 | C77 | C75 | 49.4° | 49.4° |
| H100 | C74 | C77 | H104 | 169.6° | 169.6° |
| H100 | C74 | C77 | H105 | 70.7° | 70.7° |
| H100 | C74 | C73 | C78 | 179.1° | 179.1° |
| C77 | C75 | H101 | H102 | 119.4° | 119.4° |
| C77 | C75 | H101 | C76 | 121.3° | 121.3° |
| C77 | C75 | H102 | C76 | 121.3° | 121.3° |
| C77 | C75 | C76 | H103 | 55.2° | 55.2° |
| C75 | C77 | C74 | H104 | 120.1° | 120.2° |
| C75 | C77 | C74 | H105 | 120.1° | 120.1° |
| C75 | C77 | H104 | H105 | 119.5° | 119.5° |
| C77 | C75 | C76 | C31 | 124.8° | 124.8° |
| H101 | C75 | H102 | C76 | 119.3° | 119.3° |
| H101 | C75 | C76 | H103 | 175.4° | 175.4° |
| H101 | C75 | C77 | C74 | 54.8° | 54.8° |
| H101 | C75 | C77 | H104 | 175.0° | 175.0° |
| H101 | C75 | C77 | H105 | 65.3° | 65.3° |
| H101 | C75 | C76 | C31 | 4.6° | 4.6° |
| H102 | C75 | C76 | H103 | 65.0° | 65.0° |
| H102 | C75 | C77 | C74 | 174.4° | 174.4° |
| H102 | C75 | C77 | H104 | 65.4° | 65.4° |
| H102 | C75 | C77 | H105 | 54.3° | 54.3° |
| H102 | C75 | C76 | C31 | 114.9° | 114.9° |
| C75 | C76 | H103 | C31 | 180.0° | 180.0° |
| C76 | C75 | C77 | C74 | 65.4° | 65.4° |
| C76 | C75 | C77 | H104 | 54.8° | 54.8° |
| C76 | C75 | C77 | H105 | 174.5° | 174.5° |
| C74 | C77 | H104 | H105 | 119.5° | 119.5° |
| C77 | C74 | C73 | C78 | 58.4° | 58.4° |
| C73 | C78 | H106 | H107 | 120.0° | 120.0° |
| C73 | C78 | H106 | H108 | 120.0° | 120.0° |
| C73 | C78 | H107 | H108 | 120.0° | 120.0° |
| C78 | C73 | N13 | C67 | 62.0° | 62.0° |
| C78 | C73 | C72 | N14 | 168.0° | 168.0° |
| H106 | C78 | H107 | H108 | 120.0° | 120.0° |
| C79 | N14 | H109 | C72 | 180.0° | 180.0° |
| N14 | C79 | C80 | C81 | 122.1° | 122.1° |
| N14 | C79 | C80 | H110 | 120.1° | 120.1° |
| N14 | C79 | C81 | H110 | 119.4° | 119.4° |
| N14 | C79 | C80 | O18 | 151.2° | 151.2° |
| N14 | C79 | C81 | O19 | 66.2° | 66.2° |
| N14 | C79 | C81 | H111 | 54.0° | 54.0° |
| N14 | C79 | C81 | H112 | 173.5° | 173.5° |
| N14 | C79 | C80 | N15 | 29.0° | 29.0° |
| H109 | N14 | C79 | C80 | 117.3° | 117.3° |
| H109 | N14 | C79 | C81 | 4.4° | 4.4° |
| H109 | N14 | C79 | H110 | 123.2° | 123.2° |
| C80 | C79 | C81 | H110 | 117.9° | 117.9° |
| C79 | C80 | O18 | N15 | 179.8° | 179.8° |
| C80 | C79 | C81 | O19 | 171.0° | 171.0° |
| C80 | C79 | C81 | H111 | 68.7° | 68.8° |
| C80 | C79 | C81 | H112 | 50.8° | 50.8° |
| C79 | C80 | N15 | C82 | 179.0° | 179.0° |
| C79 | C80 | N15 | H114 | 1.0° | 1.0° |
| C80 | C79 | N14 | C72 | 62.7° | 62.7° |
| C81 | C79 | C80 | O18 | 86.8° | 86.8° |
| C79 | C81 | O19 | H111 | 120.2° | 120.2° |
| C79 | C81 | O19 | H112 | 120.3° | 120.3° |
| C79 | C81 | H111 | H112 | 119.2° | 119.3° |
| C79 | C81 | O19 | H113 | 79.9° | 79.9° |
| C81 | C79 | N14 | C72 | 175.6° | 175.6° |
| C81 | C79 | C80 | N15 | 93.1° | 93.1° |
| H110 | C79 | C80 | O18 | 31.1° | 31.1° |
| H110 | C79 | C81 | O19 | 53.1° | 53.1° |
| H110 | C79 | C81 | H111 | 173.4° | 173.4° |
| H110 | C79 | C81 | H112 | 67.1° | 67.1° |
| H110 | C79 | N14 | C72 | 56.8° | 56.8° |
| H110 | C79 | C80 | N15 | 149.1° | 149.1° |
| O18 | C80 | N15 | C82 | 0.8° | 0.8° |
| O18 | C80 | N15 | H114 | 179.2° | 179.2° |
| O19 | C81 | H111 | H112 | 119.3° | 119.2° |
| H111 | C81 | O19 | H113 | 40.4° | 40.3° |
| H112 | C81 | O19 | H113 | 159.8° | 159.8° |
| C82 | N15 | H114 | C80 | 180.0° | 180.0° |
| N15 | C82 | C83 | C84 | 121.8° | 121.8° |
| N15 | C82 | C83 | H115 | 119.7° | 119.7° |
| N15 | C82 | C84 | H115 | 119.5° | 119.5° |
| N15 | C82 | C83 | O20 | 127.2° | 127.2° |
| N15 | C82 | C84 | H116 | 180.0° | 180.0° |
| N15 | C82 | C84 | H117 | 60.0° | 60.0° |
| N15 | C82 | C84 | H118 | 60.0° | 60.0° |
| N15 | C82 | C83 | N16 | 52.6° | 52.6° |
| H114 | N15 | C82 | C83 | 104.9° | 104.9° |
| H114 | N15 | C82 | C84 | 17.0° | 17.0° |
| H114 | N15 | C82 | H115 | 135.9° | 135.9° |
| C83 | C82 | C84 | H115 | 118.5° | 118.5° |
| C82 | C83 | O20 | N16 | 179.7° | 179.7° |
| C83 | C82 | C84 | H116 | 58.0° | 58.0° |
| C83 | C82 | C84 | H117 | 178.0° | 178.0° |
| C83 | C82 | C84 | H118 | 62.0° | 62.0° |
| C82 | C83 | N16 | C85 | 179.6° | 179.6° |
| C82 | C83 | N16 | H119 | 0.4° | 0.4° |
| C83 | C82 | N15 | C80 | 75.1° | 75.1° |
| C84 | C82 | C83 | O20 | 111.0° | 111.0° |
| C82 | C84 | H116 | H117 | 120.0° | 120.0° |
| C82 | C84 | H116 | H118 | 120.0° | 120.0° |
| C82 | C84 | H117 | H118 | 120.0° | 120.0° |
| C84 | C82 | N15 | C80 | 163.0° | 163.0° |
| C84 | C82 | C83 | N16 | 69.2° | 69.2° |
| H115 | C82 | C83 | O20 | 7.5° | 7.5° |
| H115 | C82 | C84 | H116 | 60.5° | 60.5° |
| H115 | C82 | C84 | H117 | 59.4° | 59.5° |
| H115 | C82 | C84 | H118 | 179.5° | 179.5° |
| H115 | C82 | N15 | C80 | 44.1° | 44.1° |
| H115 | C82 | C83 | N16 | 172.3° | 172.3° |
| O20 | C83 | N16 | C85 | 0.7° | 0.7° |
| O20 | C83 | N16 | H119 | 179.3° | 179.3° |
| H116 | C84 | H117 | H118 | 120.0° | 120.0° |
| C85 | N16 | H119 | C83 | 180.0° | 180.0° |
| N16 | C85 | C86 | C87 | 121.7° | 121.7° |
| N16 | C85 | C86 | H120 | 119.8° | 119.8° |
| N16 | C85 | C87 | H120 | 119.5° | 119.5° |
| N16 | C85 | C86 | O21 | 118.1° | 118.1° |
| N16 | C85 | C86 | O22 | 61.7° | 61.7° |
| N16 | C85 | C87 | H121 | 180.0° | 180.0° |
| N16 | C85 | C87 | H122 | 60.0° | 60.0° |
| N16 | C85 | C87 | H123 | 60.0° | 60.0° |
| H119 | N16 | C85 | C86 | 110.0° | 110.0° |
| H119 | N16 | C85 | C87 | 11.7° | 11.7° |
| H119 | N16 | C85 | H120 | 130.7° | 130.7° |
| C86 | C85 | C87 | H120 | 118.5° | 118.5° |
| C85 | C86 | O21 | O22 | 179.8° | 179.8° |
| C86 | C85 | C87 | H121 | 58.0° | 58.0° |
| C86 | C85 | C87 | H122 | 178.0° | 178.0° |
| C86 | C85 | C87 | H123 | 62.0° | 62.0° |
| C85 | C86 | O22 | H124 | 179.8° | 179.8° |
| C86 | C85 | N16 | C83 | 70.0° | 70.0° |
| C87 | C85 | C86 | O21 | 120.2° | 120.2° |
| C87 | C85 | C86 | O22 | 60.0° | 60.0° |
| C85 | C87 | H121 | H122 | 120.0° | 120.0° |
| C85 | C87 | H121 | H123 | 120.0° | 120.0° |
| C85 | C87 | H122 | H123 | 120.0° | 120.0° |
| C87 | C85 | N16 | C83 | 168.3° | 168.3° |
| H120 | C85 | C86 | O21 | 1.6° | 1.6° |
| H120 | C85 | C86 | O22 | 178.6° | 178.6° |
| H120 | C85 | C87 | H121 | 60.5° | 60.5° |
| H120 | C85 | C87 | H122 | 59.5° | 59.5° |
| H120 | C85 | C87 | H123 | 179.5° | 179.5° |
| H120 | C85 | N16 | C83 | 49.3° | 49.3° |
| O21 | C86 | O22 | H124 | 0.0° | 0.0° |
| H121 | C87 | H122 | H123 | 120.0° | 120.0° |
