PRD_000882
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.50Å | 1.55Å | |
| C1 | C3 | sing | 1.50Å | 1.52Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | O2 | sing | 1.36Å | 1.36Å | |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| O3 | C9 | sing | 1.38Å | 1.36Å | |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | CL1 | sing | 1.74Å | 1.70Å | |
| C11 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.50Å | 1.39Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.50Å | 1.54Å | |
| C16 | N2 | sing | 1.47Å | 1.47Å | |
| C17 | O4 | doub | 1.21Å | 1.25Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.10Å | 1.10Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| N3 | C24 | sing | 1.46Å | 1.48Å | |
| O5 | C18 | sing | 1.35Å | 1.38Å | |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | O6 | sing | 1.36Å | 1.36Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C24 | C25 | sing | 1.48Å | 1.53Å | |
| C25 | O7 | doub | 1.22Å | 1.25Å | |
| N3 | H15 | sing | 0.98Å | 1.00Å | |
| C24 | H16 | sing | 1.11Å | 1.10Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| O6 | H19 | sing | 0.97Å | 0.95Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| N4 | C26 | sing | 1.43Å | 1.47Å | |
| N4 | H21 | sing | 0.99Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C26 | C28 | sing | 1.51Å | 1.54Å | |
| C26 | H22 | sing | 1.11Å | 1.10Å | |
| C27 | O8 | doub | 1.22Å | 1.24Å | |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | O9 | sing | 1.36Å | 1.36Å | |
| C31 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | H24 | sing | 1.08Å | 1.08Å | |
| N5 | C34 | sing | 1.45Å | 1.47Å | |
| N5 | H25 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.52Å | 1.52Å | |
| C34 | C36 | sing | 1.51Å | 1.53Å | |
| C34 | H26 | sing | 1.08Å | 1.10Å | |
| C35 | O10 | doub | 1.21Å | 1.25Å | |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C38 | C39 | doub | 1.41Å | 1.39Å | Aromatic |
| C39 | O11 | sing | 1.36Å | 1.36Å | |
| C39 | C40 | sing | 1.39Å | 1.39Å | Aromatic |
| O11 | H28 | sing | 0.97Å | 0.95Å | |
| C40 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | H29 | sing | 1.08Å | 1.08Å | |
| C41 | H30 | sing | 1.08Å | 1.08Å | |
| N6 | C42 | sing | 1.47Å | 1.47Å | |
| C42 | C43 | sing | 1.52Å | 1.53Å | |
| C42 | C44 | sing | 1.52Å | 1.51Å | |
| C43 | O12 | doub | 1.21Å | 1.25Å | |
| C44 | O13 | sing | 1.43Å | 1.42Å | |
| C44 | C45 | sing | 1.50Å | 1.40Å | |
| C45 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | C47 | doub | 1.39Å | 1.39Å | Aromatic |
| C46 | C48 | doub | 1.38Å | 1.39Å | Aromatic |
| C47 | C49 | sing | 1.38Å | 1.40Å | Aromatic |
| C48 | C50 | sing | 1.39Å | 1.39Å | Aromatic |
| C49 | C50 | doub | 1.38Å | 1.40Å | Aromatic |
| C50 | O14 | sing | 1.37Å | 1.37Å | |
| N6 | H31 | sing | 0.97Å | 1.00Å | |
| C42 | H32 | sing | 1.09Å | 1.10Å | |
| C44 | H33 | sing | 1.10Å | 1.10Å | |
| C46 | H34 | sing | 1.08Å | 1.08Å | |
| C47 | H35 | sing | 1.08Å | 1.08Å | |
| C48 | H36 | sing | 1.08Å | 1.08Å | |
| C49 | H37 | sing | 1.08Å | 1.08Å | |
| N7 | C57 | sing | 1.45Å | 1.47Å | |
| O15 | C51 | sing | 1.36Å | 1.38Å | |
| C51 | C52 | sing | 1.41Å | 1.38Å | Aromatic |
| C51 | C53 | doub | 1.38Å | 1.38Å | Aromatic |
| C52 | C56 | doub | 1.40Å | 1.40Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.39Å | Aromatic |
| C54 | O16 | sing | 1.36Å | 1.36Å | |
| C54 | C55 | doub | 1.39Å | 1.40Å | Aromatic |
| C55 | C56 | sing | 1.39Å | 1.40Å | Aromatic |
| C56 | C57 | sing | 1.50Å | 1.53Å | |
| C57 | C58 | sing | 1.51Å | 1.53Å | |
| C58 | O17 | doub | 1.21Å | 1.25Å | |
| C58 | O18 | sing | 1.34Å | 1.25Å | |
| N7 | H38 | sing | 0.97Å | 1.00Å | |
| C57 | H39 | sing | 1.10Å | 1.10Å | |
| C53 | H40 | sing | 1.08Å | 1.08Å | |
| O16 | H41 | sing | 0.97Å | 0.95Å | |
| C55 | H42 | sing | 1.08Å | 1.08Å | |
| O18 | H43 | sing | 0.97Å | 0.95Å | |
| C59 | C60 | sing | 1.53Å | 1.53Å | |
| C59 | O21 | sing | 1.43Å | 1.44Å | |
| C59 | H44 | sing | 1.09Å | 1.10Å | |
| C60 | C61 | sing | 1.53Å | 1.51Å | |
| C60 | N8 | sing | 1.47Å | 1.47Å | |
| C60 | H45 | sing | 1.09Å | 1.10Å | |
| C61 | C62 | sing | 1.53Å | 1.53Å | |
| C61 | O19 | sing | 1.43Å | 1.43Å | |
| C61 | H46 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | sing | 1.53Å | 1.53Å | |
| C62 | O20 | sing | 1.43Å | 1.42Å | |
| C62 | H47 | sing | 1.09Å | 1.10Å | |
| C63 | C64 | sing | 1.53Å | 1.53Å | |
| C63 | O21 | sing | 1.43Å | 1.46Å | |
| C63 | H48 | sing | 1.09Å | 1.10Å | |
| C64 | O22 | sing | 1.43Å | 1.43Å | |
| C64 | H49 | sing | 1.09Å | 1.10Å | |
| C64 | H50 | sing | 1.09Å | 1.10Å | |
| N8 | H51 | sing | 0.97Å | 1.00Å | |
| O19 | H52 | sing | 0.97Å | 0.95Å | |
| O20 | H53 | sing | 0.97Å | 0.95Å | |
| O22 | H54 | sing | 0.97Å | 0.95Å | |
| C72 | C74 | sing | 1.51Å | 1.54Å | |
| C72 | C71 | sing | 1.53Å | 1.54Å | |
| C74 | O23 | doub | 1.21Å | 1.23Å | |
| C71 | C70 | sing | 1.53Å | 1.52Å | |
| C70 | C69 | sing | 1.53Å | 1.53Å | |
| C69 | C68 | sing | 1.53Å | 1.53Å | |
| C68 | C67 | sing | 1.53Å | 1.54Å | |
| C67 | C66 | sing | 1.53Å | 1.51Å | |
| C66 | C65 | sing | 1.53Å | 1.53Å | |
| C66 | C73 | sing | 1.53Å | 1.52Å | |
| C72 | H55 | sing | 1.09Å | 1.10Å | |
| C72 | H56 | sing | 1.09Å | 1.10Å | |
| C71 | H57 | sing | 1.09Å | 1.10Å | |
| C71 | H58 | sing | 1.09Å | 1.10Å | |
| C70 | H59 | sing | 1.09Å | 1.10Å | |
| C70 | H60 | sing | 1.09Å | 1.10Å | |
| C69 | H61 | sing | 1.09Å | 1.10Å | |
| C69 | H62 | sing | 1.09Å | 1.10Å | |
| C68 | H63 | sing | 1.09Å | 1.10Å | |
| C68 | H64 | sing | 1.09Å | 1.10Å | |
| C67 | H65 | sing | 1.09Å | 1.10Å | |
| C67 | H66 | sing | 1.09Å | 1.10Å | |
| C66 | H67 | sing | 1.09Å | 1.10Å | |
| C65 | H68 | sing | 1.09Å | 1.10Å | |
| C65 | H69 | sing | 1.09Å | 1.10Å | |
| C65 | H70 | sing | 1.09Å | 1.10Å | |
| C73 | H71 | sing | 1.09Å | 1.10Å | |
| C73 | H72 | sing | 1.09Å | 1.10Å | |
| C73 | H73 | sing | 1.09Å | 1.10Å | |
| C75 | C76 | sing | 1.53Å | 1.51Å | |
| C75 | O26 | sing | 1.43Å | 1.41Å | |
| C75 | H74 | sing | 1.09Å | 1.10Å | |
| C76 | C77 | sing | 1.53Å | 1.52Å | |
| C76 | N9 | sing | 1.47Å | 1.45Å | |
| C76 | H75 | sing | 1.09Å | 1.10Å | |
| C77 | C78 | sing | 1.53Å | 1.52Å | |
| C77 | O24 | sing | 1.43Å | 1.41Å | |
| C77 | H76 | sing | 1.09Å | 1.10Å | |
| C78 | C79 | sing | 1.53Å | 1.53Å | |
| C78 | O25 | sing | 1.43Å | 1.41Å | |
| C78 | H77 | sing | 1.09Å | 1.10Å | |
| C79 | C80 | sing | 1.53Å | 1.53Å | |
| C79 | O26 | sing | 1.43Å | 1.41Å | |
| C79 | H78 | sing | 1.09Å | 1.10Å | |
| C80 | O27 | sing | 1.43Å | 1.41Å | |
| C80 | H79 | sing | 1.09Å | 1.10Å | |
| C80 | H80 | sing | 1.09Å | 1.10Å | |
| C81 | C82 | sing | 1.51Å | 1.50Å | |
| C81 | N9 | sing | 1.35Å | 1.34Å | |
| C81 | O28 | doub | 1.21Å | 1.23Å | |
| C82 | H81 | sing | 1.09Å | 1.10Å | |
| C82 | H82 | sing | 1.09Å | 1.10Å | |
| C82 | H83 | sing | 1.09Å | 1.10Å | |
| N9 | H84 | sing | 0.97Å | 1.00Å | |
| O24 | H85 | sing | 0.97Å | 0.95Å | |
| O25 | H86 | sing | 0.97Å | 0.95Å | |
| O27 | H87 | sing | 0.97Å | 0.95Å | |
| C83 | C84 | sing | 1.53Å | 1.52Å | |
| C83 | O32 | sing | 1.43Å | 1.44Å | |
| C83 | H88 | sing | 1.09Å | 1.10Å | |
| C84 | C85 | sing | 1.53Å | 1.52Å | |
| C84 | O29 | sing | 1.43Å | 1.43Å | |
| C84 | H89 | sing | 1.09Å | 1.10Å | |
| C85 | C86 | sing | 1.53Å | 1.52Å | |
| C85 | O30 | sing | 1.43Å | 1.43Å | |
| C85 | H90 | sing | 1.09Å | 1.10Å | |
| C86 | C87 | sing | 1.53Å | 1.53Å | |
| C86 | O31 | sing | 1.43Å | 1.43Å | |
| C86 | H91 | sing | 1.09Å | 1.10Å | |
| C87 | C88 | sing | 1.53Å | 1.53Å | |
| C87 | O32 | sing | 1.43Å | 1.44Å | |
| C87 | H92 | sing | 1.09Å | 1.10Å | |
| C88 | O33 | sing | 1.43Å | 1.43Å | |
| C88 | H93 | sing | 1.09Å | 1.10Å | |
| C88 | H94 | sing | 1.09Å | 1.10Å | |
| O29 | H95 | sing | 0.97Å | 0.95Å | |
| O30 | H96 | sing | 0.97Å | 0.95Å | |
| O31 | H97 | sing | 0.97Å | 0.95Å | |
| O33 | H98 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.34Å | 1.33Å | |
| C7 | O5 | sing | 1.36Å | 1.37Å | |
| O3 | C30 | sing | 1.38Å | 1.38Å | |
| C17 | N3 | sing | 1.34Å | 1.33Å | |
| C25 | N4 | sing | 1.32Å | 1.33Å | |
| C27 | N5 | sing | 1.33Å | 1.33Å | |
| O9 | C59 | sing | 1.43Å | 1.38Å | |
| C32 | O14 | sing | 1.37Å | 1.39Å | |
| C35 | N6 | sing | 1.34Å | 1.33Å | |
| C38 | C52 | sing | 1.48Å | 1.40Å | |
| C43 | N7 | sing | 1.36Å | 1.33Å | |
| O13 | C75 | sing | 1.43Å | 1.38Å | |
| O15 | C83 | sing | 1.43Å | 1.42Å | |
| N8 | C74 | sing | 1.35Å | 1.40Å |
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 | 112.5° | 109.0° |
| N1 | C1 | C3 | 108.7° | 109.2° |
| N1 | C1 | H3 | 108.9° | 108.9° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 110.5° | 112.0° |
| C2 | C1 | H3 | 107.9° | 108.7° |
| C1 | C2 | O1 | 121.7° | 118.6° |
| C1 | C2 | N2 | 116.9° | 122.5° |
| C3 | C1 | H3 | 108.2° | 109.0° |
| C1 | C3 | C4 | 118.0° | 119.1° |
| C1 | C3 | C8 | 121.5° | 120.9° |
| O1 | C2 | N2 | 121.4° | 118.8° |
| C4 | C3 | C8 | 120.5° | 120.0° |
| C3 | C4 | C5 | 120.1° | 120.2° |
| C3 | C4 | H4 | 120.0° | 120.0° |
| C3 | C8 | C7 | 119.1° | 120.2° |
| C3 | C8 | H7 | 120.4° | 120.0° |
| C5 | C4 | H4 | 119.9° | 119.8° |
| C4 | C5 | C6 | 119.7° | 120.1° |
| C4 | C5 | H5 | 120.1° | 119.9° |
| C6 | C5 | H5 | 120.1° | 120.0° |
| C5 | C6 | O2 | 119.8° | 120.1° |
| C5 | C6 | C7 | 120.5° | 119.9° |
| O2 | C6 | C7 | 119.8° | 120.0° |
| C6 | O2 | H6 | 109.5° | 114.0° |
| C6 | C7 | C8 | 120.1° | 119.7° |
| C6 | C7 | O5 | 117.6° | 119.3° |
| C7 | C8 | H7 | 120.4° | 119.8° |
| C8 | C7 | O5 | 122.3° | 121.0° |
| O3 | C9 | C10 | 116.8° | 123.0° |
| O3 | C9 | C12 | 121.6° | 117.1° |
| C9 | O3 | C30 | 111.6° | 104.5° |
| C10 | C9 | C12 | 121.6° | 119.9° |
| C9 | C10 | C11 | 119.7° | 119.3° |
| C9 | C10 | CL1 | 121.0° | 120.4° |
| C9 | C12 | C13 | 118.3° | 120.3° |
| C9 | C12 | H8 | 120.8° | 120.0° |
| C11 | C10 | CL1 | 119.2° | 120.3° |
| C10 | C11 | C14 | 119.2° | 120.2° |
| C10 | C11 | H9 | 120.4° | 119.8° |
| C11 | C14 | C13 | 120.8° | 120.3° |
| C11 | C14 | C15 | 119.2° | 121.1° |
| C14 | C11 | H9 | 120.4° | 120.0° |
| C12 | C13 | C14 | 120.4° | 119.3° |
| C13 | C12 | H8 | 120.8° | 119.7° |
| C12 | C13 | H10 | 119.8° | 120.6° |
| C13 | C14 | C15 | 120.0° | 118.5° |
| C14 | C13 | H10 | 119.8° | 120.2° |
| C14 | C15 | C16 | 110.3° | 110.6° |
| C14 | C15 | H11 | 109.3° | 109.1° |
| C14 | C15 | H12 | 109.3° | 109.4° |
| C15 | C16 | C17 | 115.1° | 113.3° |
| C15 | C16 | N2 | 111.8° | 107.8° |
| C16 | C15 | H11 | 109.3° | 109.3° |
| C16 | C15 | H12 | 109.3° | 109.6° |
| C15 | C16 | H13 | 106.1° | 108.6° |
| C17 | C16 | N2 | 110.3° | 108.9° |
| C16 | C17 | O4 | 117.9° | 119.1° |
| C17 | C16 | H13 | 106.1° | 109.6° |
| C16 | C17 | N3 | 119.4° | 123.2° |
| N2 | C16 | H13 | 106.8° | 108.6° |
| C16 | N2 | H14 | 120.2° | 119.2° |
| C16 | N2 | C2 | 119.6° | 121.2° |
| O4 | C17 | N3 | 122.6° | 117.7° |
| H11 | C15 | H12 | 109.5° | 108.9° |
| H14 | N2 | C2 | 120.2° | 119.6° |
| N3 | C24 | C23 | 110.1° | 108.5° |
| N3 | C24 | C25 | 115.1° | 114.1° |
| C24 | N3 | H15 | 120.5° | 118.5° |
| N3 | C24 | H16 | 107.5° | 107.4° |
| C24 | N3 | C17 | 119.0° | 123.9° |
| O5 | C18 | C19 | 120.5° | 119.8° |
| O5 | C18 | C20 | 119.4° | 120.4° |
| C18 | O5 | C7 | 119.8° | 120.1° |
| C19 | C18 | C20 | 119.8° | 119.8° |
| C18 | C19 | C23 | 120.0° | 120.4° |
| C18 | C19 | H17 | 120.0° | 119.0° |
| C18 | C20 | C21 | 120.4° | 119.9° |
| C18 | C20 | H18 | 119.8° | 120.0° |
| C19 | C23 | C22 | 120.4° | 119.9° |
| C19 | C23 | C24 | 119.6° | 120.1° |
| C23 | C19 | H17 | 120.0° | 120.7° |
| C20 | C21 | O6 | 119.3° | 120.0° |
| C20 | C21 | C22 | 120.0° | 120.0° |
| C21 | C20 | H18 | 119.8° | 120.1° |
| O6 | C21 | C22 | 120.7° | 120.0° |
| C21 | O6 | H19 | 109.5° | 114.0° |
| C21 | C22 | C23 | 119.5° | 120.1° |
| C21 | C22 | H20 | 120.3° | 120.0° |
| C22 | C23 | C24 | 120.0° | 120.1° |
| C23 | C22 | H20 | 120.2° | 119.9° |
| C23 | C24 | C25 | 110.0° | 110.6° |
| C23 | C24 | H16 | 106.9° | 107.1° |
| C24 | C25 | O7 | 117.1° | 115.6° |
| C25 | C24 | H16 | 106.9° | 108.9° |
| C24 | C25 | N4 | 119.5° | 130.0° |
| O7 | C25 | N4 | 123.4° | 114.4° |
| H15 | N3 | C17 | 120.5° | 117.7° |
| C26 | N4 | H21 | 120.1° | 115.8° |
| N4 | C26 | C27 | 110.1° | 113.1° |
| N4 | C26 | C28 | 110.4° | 114.5° |
| N4 | C26 | H22 | 109.3° | 107.4° |
| C26 | N4 | C25 | 119.8° | 128.8° |
| H21 | N4 | C25 | 120.1° | 115.5° |
| C27 | C26 | C28 | 110.3° | 108.6° |
| C27 | C26 | H22 | 108.5° | 106.3° |
| C26 | C27 | O8 | 118.6° | 119.8° |
| C26 | C27 | N5 | 117.8° | 120.1° |
| C28 | C26 | H22 | 108.3° | 106.4° |
| C26 | C28 | C29 | 119.7° | 121.3° |
| C26 | C28 | C33 | 120.9° | 119.9° |
| O8 | C27 | N5 | 123.6° | 120.1° |
| C29 | C28 | C33 | 119.4° | 118.8° |
| C28 | C29 | C30 | 120.3° | 120.3° |
| C28 | C29 | H23 | 119.8° | 119.8° |
| C28 | C33 | C32 | 120.4° | 120.6° |
| C28 | C33 | H24 | 119.8° | 120.0° |
| C30 | C29 | H23 | 119.8° | 119.9° |
| C29 | C30 | C31 | 120.0° | 121.3° |
| C29 | C30 | O3 | 120.1° | 116.3° |
| C30 | C31 | O9 | 119.6° | 120.8° |
| C30 | C31 | C32 | 120.3° | 118.0° |
| C31 | C30 | O3 | 119.9° | 122.5° |
| O9 | C31 | C32 | 120.0° | 121.2° |
| C31 | O9 | C59 | 120.6° | 117.0° |
| C31 | C32 | C33 | 119.6° | 120.9° |
| C31 | C32 | O14 | 119.5° | 121.0° |
| C32 | C33 | H24 | 119.8° | 119.4° |
| C33 | C32 | O14 | 120.8° | 118.0° |
| C34 | N5 | H25 | 119.4° | 118.4° |
| N5 | C34 | C35 | 106.8° | 108.6° |
| N5 | C34 | C36 | 116.8° | 111.0° |
| N5 | C34 | H26 | 109.7° | 112.6° |
| C34 | N5 | C27 | 121.2° | 123.8° |
| H25 | N5 | C27 | 119.4° | 117.8° |
| C35 | C34 | C36 | 105.3° | 104.1° |
| C35 | C34 | H26 | 109.1° | 109.5° |
| C34 | C35 | O10 | 118.5° | 117.8° |
| C34 | C35 | N6 | 117.9° | 121.4° |
| C36 | C34 | H26 | 108.9° | 110.6° |
| C34 | C36 | C37 | 118.2° | 118.2° |
| C34 | C36 | C41 | 121.6° | 121.0° |
| O10 | C35 | N6 | 123.6° | 120.7° |
| C37 | C36 | C41 | 120.1° | 120.7° |
| C36 | C37 | C38 | 120.5° | 121.0° |
| C36 | C37 | H27 | 119.7° | 118.4° |
| C36 | C41 | C40 | 119.4° | 119.1° |
| C36 | C41 | H30 | 120.3° | 120.1° |
| C38 | C37 | H27 | 119.8° | 120.6° |
| C37 | C38 | C39 | 119.5° | 118.2° |
| C37 | C38 | C52 | 119.4° | 124.0° |
| C38 | C39 | O11 | 120.0° | 121.4° |
| C38 | C39 | C40 | 120.1° | 120.0° |
| C39 | C38 | C52 | 120.7° | 117.8° |
| O11 | C39 | C40 | 119.9° | 118.5° |
| C39 | O11 | H28 | 109.5° | 114.0° |
| C39 | C40 | C41 | 120.2° | 120.7° |
| C39 | C40 | H29 | 119.9° | 119.5° |
| C41 | C40 | H29 | 119.9° | 119.8° |
| C40 | C41 | H30 | 120.3° | 120.8° |
| N6 | C42 | C43 | 106.7° | 105.5° |
| N6 | C42 | C44 | 105.9° | 112.6° |
| C42 | N6 | H31 | 118.7° | 120.0° |
| N6 | C42 | H32 | 110.4° | 109.2° |
| C42 | N6 | C35 | 122.7° | 119.5° |
| C43 | C42 | C44 | 114.2° | 112.0° |
| C42 | C43 | O12 | 119.1° | 121.3° |
| C43 | C42 | H32 | 109.6° | 108.1° |
| C42 | C43 | N7 | 117.2° | 117.1° |
| C42 | C44 | O13 | 102.5° | 110.4° |
| C42 | C44 | C45 | 102.8° | 111.7° |
| C44 | C42 | H32 | 109.8° | 109.2° |
| C42 | C44 | H33 | 111.8° | 108.4° |
| O12 | C43 | N7 | 123.7° | 121.6° |
| O13 | C44 | C45 | 111.6° | 109.9° |
| O13 | C44 | H33 | 113.4° | 108.2° |
| C44 | O13 | C75 | 121.8° | 114.0° |
| C44 | C45 | C46 | 118.1° | 121.2° |
| C44 | C45 | C47 | 122.8° | 119.1° |
| C45 | C44 | H33 | 113.7° | 108.2° |
| C46 | C45 | C47 | 119.1° | 119.8° |
| C45 | C46 | C48 | 120.9° | 119.4° |
| C45 | C46 | H34 | 119.6° | 120.8° |
| C45 | C47 | C49 | 120.2° | 121.0° |
| C45 | C47 | H35 | 119.9° | 119.3° |
| C46 | C48 | C50 | 120.0° | 120.4° |
| C48 | C46 | H34 | 119.5° | 119.8° |
| C46 | C48 | H36 | 120.0° | 119.7° |
| C47 | C49 | C50 | 120.4° | 118.9° |
| C49 | C47 | H35 | 119.9° | 119.7° |
| C47 | C49 | H37 | 119.8° | 120.3° |
| C48 | C50 | C49 | 119.4° | 120.4° |
| C48 | C50 | O14 | 119.6° | 118.0° |
| C50 | C48 | H36 | 120.0° | 120.0° |
| C49 | C50 | O14 | 121.0° | 121.6° |
| C50 | C49 | H37 | 119.8° | 120.7° |
| C50 | O14 | C32 | 113.4° | 109.6° |
| H31 | N6 | C35 | 118.7° | 120.5° |
| N7 | C57 | C56 | 107.9° | 112.9° |
| N7 | C57 | C58 | 112.5° | 110.2° |
| C57 | N7 | H38 | 119.3° | 119.9° |
| N7 | C57 | H39 | 109.2° | 108.0° |
| C57 | N7 | C43 | 121.3° | 121.5° |
| O15 | C51 | C52 | 115.0° | 120.9° |
| O15 | C51 | C53 | 116.5° | 117.8° |
| C51 | O15 | C83 | 119.4° | 117.0° |
| C52 | C51 | C53 | 128.5° | 121.3° |
| C51 | C52 | C56 | 114.4° | 117.8° |
| C51 | C52 | C38 | 119.0° | 117.2° |
| C51 | C53 | C54 | 115.4° | 119.7° |
| C51 | C53 | H40 | 122.3° | 120.0° |
| C52 | C56 | C55 | 120.5° | 119.0° |
| C52 | C56 | C57 | 119.7° | 122.2° |
| C56 | C52 | C38 | 126.6° | 125.0° |
| C53 | C54 | O16 | 119.6° | 120.6° |
| C53 | C54 | C55 | 119.6° | 119.0° |
| C54 | C53 | H40 | 122.3° | 120.3° |
| O16 | C54 | C55 | 120.8° | 120.4° |
| C54 | O16 | H41 | 109.5° | 114.0° |
| C54 | C55 | C56 | 121.6° | 121.7° |
| C54 | C55 | H42 | 119.2° | 115.4° |
| C55 | C56 | C57 | 119.8° | 118.6° |
| C56 | C55 | H42 | 119.2° | 122.9° |
| C56 | C57 | C58 | 110.4° | 111.4° |
| C56 | C57 | H39 | 108.4° | 107.2° |
| C57 | C58 | O17 | 116.3° | 120.0° |
| C57 | C58 | O18 | 117.5° | 120.0° |
| C58 | C57 | H39 | 108.3° | 106.8° |
| O17 | C58 | O18 | 126.1° | 120.0° |
| C58 | O18 | H43 | 109.5° | 117.0° |
| H38 | N7 | C43 | 119.4° | 118.6° |
| C60 | C59 | O21 | 111.8° | 109.4° |
| C60 | C59 | H44 | 108.2° | 109.5° |
| C59 | C60 | C61 | 107.7° | 109.2° |
| C59 | C60 | N8 | 102.2° | 109.5° |
| C59 | C60 | H45 | 111.8° | 109.5° |
| C60 | C59 | O9 | 108.1° | 109.5° |
| O21 | C59 | H44 | 109.3° | 109.5° |
| C59 | O21 | C63 | 110.9° | 114.1° |
| O21 | C59 | O9 | 109.2° | 109.5° |
| H44 | C59 | O9 | 110.2° | 109.5° |
| C61 | C60 | N8 | 109.6° | 109.5° |
| C61 | C60 | H45 | 112.1° | 109.6° |
| C60 | C61 | C62 | 108.1° | 109.0° |
| C60 | C61 | O19 | 107.3° | 109.5° |
| C60 | C61 | H46 | 110.6° | 109.6° |
| N8 | C60 | H45 | 112.7° | 109.6° |
| C60 | N8 | H51 | 122.7° | 120.0° |
| C60 | N8 | C74 | 114.5° | 120.0° |
| C62 | C61 | O19 | 108.6° | 109.5° |
| C62 | C61 | H46 | 110.3° | 109.6° |
| C61 | C62 | C63 | 108.9° | 109.1° |
| C61 | C62 | O20 | 109.7° | 109.5° |
| C61 | C62 | H47 | 109.3° | 109.5° |
| O19 | C61 | H46 | 111.7° | 109.6° |
| C61 | O19 | H52 | 109.5° | 113.9° |
| C63 | C62 | O20 | 108.8° | 109.5° |
| C63 | C62 | H47 | 109.3° | 109.5° |
| C62 | C63 | C64 | 110.3° | 109.5° |
| C62 | C63 | O21 | 109.4° | 109.4° |
| C62 | C63 | H48 | 108.9° | 109.5° |
| O20 | C62 | H47 | 110.8° | 109.6° |
| C62 | O20 | H53 | 109.5° | 114.0° |
| C64 | C63 | O21 | 109.5° | 109.5° |
| C64 | C63 | H48 | 108.8° | 109.5° |
| C63 | C64 | O22 | 109.2° | 109.5° |
| C63 | C64 | H49 | 109.5° | 109.5° |
| C63 | C64 | H50 | 109.5° | 109.5° |
| O21 | C63 | H48 | 109.9° | 109.5° |
| O22 | C64 | H49 | 109.5° | 109.4° |
| O22 | C64 | H50 | 109.5° | 109.5° |
| C64 | O22 | H54 | 109.5° | 114.0° |
| H49 | C64 | H50 | 109.5° | 109.5° |
| H51 | N8 | C74 | 122.7° | 120.0° |
| C74 | C72 | C71 | 100.1° | 109.5° |
| C72 | C74 | O23 | 119.8° | 120.0° |
| C74 | C72 | H55 | 111.8° | 109.5° |
| C74 | C72 | H56 | 111.8° | 109.5° |
| C72 | C74 | N8 | 118.2° | 120.0° |
| C72 | C71 | C70 | 118.6° | 109.5° |
| C71 | C72 | H55 | 111.7° | 109.4° |
| C71 | C72 | H56 | 111.8° | 109.4° |
| C72 | C71 | H57 | 107.1° | 109.5° |
| C72 | C71 | H58 | 107.1° | 109.5° |
| O23 | C74 | N8 | 120.1° | 120.0° |
| C71 | C70 | C69 | 103.8° | 109.5° |
| C70 | C71 | H57 | 107.1° | 109.4° |
| C70 | C71 | H58 | 107.1° | 109.5° |
| C71 | C70 | H59 | 110.9° | 109.4° |
| C71 | C70 | H60 | 110.9° | 109.5° |
| C70 | C69 | C68 | 108.3° | 109.5° |
| C69 | C70 | H59 | 110.9° | 109.5° |
| C69 | C70 | H60 | 110.9° | 109.5° |
| C70 | C69 | H61 | 109.7° | 109.5° |
| C70 | C69 | H62 | 109.8° | 109.5° |
| C69 | C68 | C67 | 111.6° | 109.4° |
| C68 | C69 | H61 | 109.8° | 109.5° |
| C68 | C69 | H62 | 109.7° | 109.4° |
| C69 | C68 | H63 | 108.9° | 109.5° |
| C69 | C68 | H64 | 108.9° | 109.4° |
| C68 | C67 | C66 | 113.7° | 109.4° |
| C67 | C68 | H63 | 108.9° | 109.5° |
| C67 | C68 | H64 | 108.9° | 109.4° |
| C68 | C67 | H65 | 108.4° | 109.5° |
| C68 | C67 | H66 | 108.4° | 109.4° |
| C67 | C66 | C65 | 107.4° | 109.5° |
| C67 | C66 | C73 | 108.3° | 109.5° |
| C66 | C67 | H65 | 108.4° | 109.5° |
| C66 | C67 | H66 | 108.4° | 109.4° |
| C67 | C66 | H67 | 111.5° | 109.5° |
| C65 | C66 | C73 | 106.8° | 109.4° |
| C65 | C66 | H67 | 111.3° | 109.5° |
| C66 | C65 | H68 | 109.5° | 109.5° |
| C66 | C65 | H69 | 109.5° | 109.5° |
| C66 | C65 | H70 | 109.4° | 109.5° |
| C73 | C66 | H67 | 111.3° | 109.5° |
| C66 | C73 | H71 | 109.5° | 109.5° |
| C66 | C73 | H72 | 109.5° | 109.4° |
| C66 | C73 | H73 | 109.5° | 109.5° |
| H55 | C72 | H56 | 109.5° | 109.5° |
| H57 | C71 | H58 | 109.5° | 109.5° |
| H59 | C70 | H60 | 109.5° | 109.5° |
| H61 | C69 | H62 | 109.5° | 109.5° |
| H63 | C68 | H64 | 109.4° | 109.5° |
| H65 | C67 | H66 | 109.5° | 109.5° |
| H68 | C65 | H69 | 109.5° | 109.5° |
| H68 | C65 | H70 | 109.5° | 109.5° |
| H69 | C65 | H70 | 109.5° | 109.5° |
| H71 | C73 | H72 | 109.5° | 109.5° |
| H71 | C73 | H73 | 109.5° | 109.5° |
| H72 | C73 | H73 | 109.5° | 109.4° |
| C76 | C75 | O26 | 110.2° | 109.4° |
| C76 | C75 | H74 | 109.0° | 109.5° |
| C75 | C76 | C77 | 109.5° | 109.2° |
| C75 | C76 | N9 | 109.2° | 109.5° |
| C75 | C76 | H75 | 108.6° | 109.6° |
| C76 | C75 | O13 | 106.7° | 109.5° |
| O26 | C75 | H74 | 110.4° | 109.5° |
| C75 | O26 | C79 | 113.9° | 114.1° |
| O26 | C75 | O13 | 109.6° | 109.5° |
| H74 | C75 | O13 | 110.9° | 109.5° |
| C77 | C76 | N9 | 111.8° | 109.5° |
| C77 | C76 | H75 | 108.5° | 109.5° |
| C76 | C77 | C78 | 109.5° | 109.0° |
| C76 | C77 | O24 | 108.6° | 109.6° |
| C76 | C77 | H76 | 109.6° | 109.5° |
| N9 | C76 | H75 | 109.3° | 109.6° |
| C76 | N9 | C81 | 124.3° | 120.0° |
| C76 | N9 | H84 | 117.9° | 120.0° |
| C78 | C77 | O24 | 108.4° | 109.5° |
| C78 | C77 | H76 | 109.6° | 109.6° |
| C77 | C78 | C79 | 113.1° | 109.2° |
| C77 | C78 | O25 | 108.4° | 109.5° |
| C77 | C78 | H77 | 108.3° | 109.5° |
| O24 | C77 | H76 | 111.2° | 109.6° |
| C77 | O24 | H85 | 109.5° | 114.0° |
| C79 | C78 | O25 | 109.1° | 109.5° |
| C79 | C78 | H77 | 108.2° | 109.5° |
| C78 | C79 | C80 | 110.0° | 109.4° |
| C78 | C79 | O26 | 111.8° | 109.4° |
| C78 | C79 | H78 | 108.4° | 109.5° |
| O25 | C78 | H77 | 109.8° | 109.6° |
| C78 | O25 | H86 | 109.5° | 114.1° |
| C80 | C79 | O26 | 108.1° | 109.5° |
| C80 | C79 | H78 | 108.4° | 109.5° |
| C79 | C80 | O27 | 109.5° | 109.4° |
| C79 | C80 | H79 | 109.5° | 109.5° |
| C79 | C80 | H80 | 109.5° | 109.5° |
| O26 | C79 | H78 | 110.0° | 109.5° |
| O27 | C80 | H79 | 109.5° | 109.4° |
| O27 | C80 | H80 | 109.5° | 109.5° |
| C80 | O27 | H87 | 109.5° | 114.0° |
| H79 | C80 | H80 | 109.5° | 109.5° |
| C82 | C81 | N9 | 119.0° | 120.0° |
| C82 | C81 | O28 | 119.0° | 120.0° |
| C81 | C82 | H81 | 109.5° | 109.4° |
| C81 | C82 | H82 | 109.5° | 109.5° |
| C81 | C82 | H83 | 109.5° | 109.5° |
| N9 | C81 | O28 | 121.9° | 120.0° |
| C81 | N9 | H84 | 117.8° | 120.0° |
| H81 | C82 | H82 | 109.5° | 109.5° |
| H81 | C82 | H83 | 109.5° | 109.5° |
| H82 | C82 | H83 | 109.5° | 109.5° |
| C84 | C83 | O32 | 110.5° | 109.4° |
| C84 | C83 | H88 | 111.8° | 109.5° |
| C83 | C84 | C85 | 108.0° | 109.2° |
| C83 | C84 | O29 | 109.6° | 109.5° |
| C83 | C84 | H89 | 109.1° | 109.5° |
| C84 | C83 | O15 | 102.5° | 109.5° |
| O32 | C83 | H88 | 113.0° | 109.5° |
| C83 | O32 | C87 | 112.9° | 114.1° |
| O32 | C83 | O15 | 105.1° | 109.5° |
| H88 | C83 | O15 | 113.4° | 109.5° |
| C85 | C84 | O29 | 110.7° | 109.5° |
| C85 | C84 | H89 | 109.0° | 109.5° |
| C84 | C85 | C86 | 108.8° | 109.0° |
| C84 | C85 | O30 | 110.3° | 109.5° |
| C84 | C85 | H90 | 108.9° | 109.5° |
| O29 | C84 | H89 | 110.4° | 109.6° |
| C84 | O29 | H95 | 109.5° | 114.0° |
| C86 | C85 | O30 | 109.7° | 109.6° |
| C86 | C85 | H90 | 108.9° | 109.5° |
| C85 | C86 | C87 | 109.2° | 109.2° |
| C85 | C86 | O31 | 109.9° | 109.5° |
| C85 | C86 | H91 | 108.6° | 109.5° |
| O30 | C85 | H90 | 110.2° | 109.7° |
| C85 | O30 | H96 | 109.5° | 114.0° |
| C87 | C86 | O31 | 110.8° | 109.5° |
| C87 | C86 | H91 | 108.4° | 109.5° |
| C86 | C87 | C88 | 110.7° | 109.5° |
| C86 | C87 | O32 | 110.6° | 109.4° |
| C86 | C87 | H92 | 108.1° | 109.5° |
| O31 | C86 | H91 | 109.8° | 109.6° |
| C86 | O31 | H97 | 109.5° | 114.0° |
| C88 | C87 | O32 | 110.2° | 109.4° |
| C88 | C87 | H92 | 108.0° | 109.5° |
| C87 | C88 | O33 | 109.2° | 109.5° |
| C87 | C88 | H93 | 109.5° | 109.5° |
| C87 | C88 | H94 | 109.5° | 109.5° |
| O32 | C87 | H92 | 109.2° | 109.5° |
| O33 | C88 | H93 | 109.6° | 109.5° |
| O33 | C88 | H94 | 109.5° | 109.5° |
| C88 | O33 | H98 | 109.5° | 114.0° |
| H93 | C88 | H94 | 109.5° | 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 | 121.7° | 120.9° |
| N1 | C1 | C2 | H3 | 120.2° | 118.5° |
| N1 | C1 | C3 | H3 | 118.1° | 118.8° |
| N1 | C1 | C2 | O1 | 35.9° | 14.3° |
| N1 | C1 | C3 | C4 | 75.9° | 77.4° |
| N1 | C1 | C3 | C8 | 105.2° | 102.6° |
| N1 | C1 | C2 | N2 | 144.8° | 165.8° |
| H1 | N1 | C1 | C2 | 180.0° | 60.0° |
| H1 | N1 | C1 | C3 | 57.3° | 177.4° |
| H1 | N1 | C1 | H3 | 60.4° | 58.4° |
| H2 | N1 | C1 | C2 | 60.0° | 176.0° |
| H2 | N1 | C1 | C3 | 62.7° | 53.4° |
| H2 | N1 | C1 | H3 | 179.6° | 65.5° |
| C2 | C1 | C3 | H3 | 117.9° | 120.4° |
| C1 | C2 | O1 | N2 | 179.2° | 179.9° |
| C2 | C1 | C3 | C4 | 160.2° | 161.8° |
| C2 | C1 | C3 | C8 | 18.8° | 18.2° |
| C1 | C2 | N2 | C16 | 175.4° | 176.7° |
| C1 | C2 | N2 | H14 | 4.7° | 3.5° |
| C3 | C1 | C2 | O1 | 85.8° | 135.2° |
| C1 | C3 | C4 | C8 | 179.0° | 179.9° |
| C1 | C3 | C4 | C5 | 179.4° | 180.0° |
| C1 | C3 | C4 | H4 | 0.6° | 0.1° |
| C1 | C3 | C8 | C7 | 179.3° | 179.5° |
| C1 | C3 | C8 | H7 | 0.7° | 0.5° |
| C3 | C1 | C2 | N2 | 93.5° | 44.8° |
| H3 | C1 | C2 | O1 | 156.1° | 104.3° |
| H3 | C1 | C3 | C4 | 42.3° | 41.4° |
| H3 | C1 | C3 | C8 | 136.7° | 138.5° |
| H3 | C1 | C2 | N2 | 24.6° | 75.7° |
| O1 | C2 | N2 | C16 | 5.4° | 3.2° |
| O1 | C2 | N2 | H14 | 174.6° | 176.6° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C3 | C4 | C5 | H5 | 179.9° | 179.7° |
| C4 | C3 | C8 | C7 | 0.4° | 0.5° |
| C4 | C3 | C8 | H7 | 179.6° | 179.6° |
| C8 | C3 | C4 | C5 | 0.5° | 0.0° |
| C8 | C3 | C4 | H4 | 179.5° | 179.8° |
| C3 | C8 | C7 | C6 | 0.1° | 0.7° |
| C3 | C8 | C7 | H7 | 180.0° | 180.0° |
| C3 | C8 | C7 | O5 | 179.2° | 178.8° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | O2 | 179.9° | 179.9° |
| C4 | C5 | C6 | C7 | 0.4° | 0.0° |
| H4 | C4 | C5 | C6 | 179.9° | 179.6° |
| H4 | C4 | C5 | H5 | 0.1° | 0.4° |
| C5 | C6 | O2 | C7 | 179.7° | 179.9° |
| C5 | C6 | O2 | H6 | 180.0° | 90.0° |
| C5 | C6 | C7 | C8 | 0.5° | 0.5° |
| C5 | C6 | C7 | O5 | 179.6° | 179.0° |
| H5 | C5 | C6 | O2 | 0.0° | 0.2° |
| H5 | C5 | C6 | C7 | 179.6° | 180.0° |
| O2 | C6 | C7 | C8 | 179.8° | 179.7° |
| O2 | C6 | C7 | O5 | 0.7° | 0.8° |
| C7 | C6 | O2 | H6 | 0.3° | 89.9° |
| C6 | C7 | C8 | O5 | 179.1° | 179.5° |
| C6 | C7 | C8 | H7 | 179.9° | 179.3° |
| C6 | C7 | O5 | C18 | 131.0° | 153.0° |
| C8 | C7 | O5 | C18 | 49.9° | 27.5° |
| H7 | C8 | C7 | O5 | 0.8° | 1.2° |
| O3 | C9 | C10 | C12 | 178.5° | 178.8° |
| O3 | C9 | C10 | C11 | 178.8° | 174.0° |
| O3 | C9 | C10 | CL1 | 1.1° | 5.8° |
| O3 | C9 | C12 | C13 | 179.1° | 172.8° |
| O3 | C9 | C12 | H8 | 0.9° | 8.0° |
| C9 | O3 | C30 | C29 | 30.4° | 40.6° |
| C9 | O3 | C30 | C31 | 149.4° | 138.8° |
| C9 | C10 | C11 | CL1 | 179.9° | 179.8° |
| C9 | C10 | C11 | C14 | 0.1° | 0.4° |
| C10 | C9 | C12 | C13 | 0.7° | 8.3° |
| C10 | C9 | C12 | H8 | 179.3° | 170.8° |
| C9 | C10 | C11 | H9 | 179.9° | 179.9° |
| C10 | C9 | O3 | C30 | 94.2° | 140.8° |
| C12 | C9 | C10 | C11 | 0.3° | 7.3° |
| C12 | C9 | C10 | CL1 | 179.6° | 173.0° |
| C9 | C12 | C13 | H8 | 180.0° | 179.2° |
| C9 | C12 | C13 | C14 | 0.9° | 1.7° |
| C9 | C12 | C13 | H10 | 179.1° | 178.8° |
| C12 | C9 | O3 | C30 | 84.3° | 40.4° |
| C10 | C11 | C14 | H9 | 180.0° | 179.6° |
| C10 | C11 | C14 | C13 | 0.4° | 7.1° |
| C10 | C11 | C14 | C15 | 179.7° | 169.2° |
| CL1 | C10 | C11 | C14 | 179.7° | 179.4° |
| CL1 | C10 | C11 | H9 | 0.2° | 0.2° |
| C11 | C14 | C13 | C12 | 0.8° | 6.0° |
| C11 | C14 | C13 | C15 | 179.9° | 176.3° |
| C11 | C14 | C15 | C16 | 99.6° | 65.3° |
| C11 | C14 | C13 | H10 | 179.2° | 173.6° |
| C11 | C14 | C15 | H11 | 20.5° | 174.4° |
| C11 | C14 | C15 | H12 | 140.3° | 55.4° |
| C12 | C13 | C14 | H10 | 180.0° | 179.6° |
| C12 | C13 | C14 | C15 | 179.3° | 170.3° |
| C13 | C14 | C15 | C16 | 80.5° | 111.0° |
| C14 | C13 | C12 | H8 | 179.1° | 177.5° |
| C13 | C14 | C11 | H9 | 179.6° | 173.4° |
| C13 | C14 | C15 | H11 | 159.4° | 9.3° |
| C13 | C14 | C15 | H12 | 39.6° | 128.3° |
| C14 | C15 | C16 | H11 | 120.1° | 120.1° |
| C14 | C15 | C16 | H12 | 120.1° | 120.6° |
| C14 | C15 | C16 | C17 | 60.9° | 23.6° |
| C14 | C15 | C16 | N2 | 66.0° | 96.9° |
| C15 | C14 | C11 | H9 | 0.3° | 10.4° |
| C15 | C14 | C13 | H10 | 0.7° | 10.1° |
| C14 | C15 | H11 | H12 | 119.6° | 119.3° |
| C14 | C15 | C16 | H13 | 177.9° | 145.7° |
| C15 | C16 | C17 | N2 | 127.7° | 119.9° |
| C15 | C16 | C17 | H13 | 117.0° | 121.5° |
| C15 | C16 | N2 | H13 | 115.7° | 117.5° |
| C15 | C16 | C17 | O4 | 76.4° | 48.5° |
| C16 | C15 | H11 | H12 | 119.6° | 119.7° |
| C15 | C16 | N2 | H14 | 50.3° | 61.5° |
| C15 | C16 | N2 | C2 | 129.7° | 118.7° |
| C15 | C16 | C17 | N3 | 105.6° | 131.8° |
| C17 | C16 | N2 | H13 | 114.8° | 119.2° |
| C16 | C17 | O4 | N3 | 178.0° | 179.7° |
| C17 | C16 | C15 | H11 | 59.2° | 96.5° |
| C17 | C16 | C15 | H12 | 179.0° | 144.3° |
| C17 | C16 | N2 | H14 | 79.2° | 61.8° |
| C16 | C17 | N3 | C24 | 172.4° | 162.9° |
| C16 | C17 | N3 | H15 | 7.6° | 17.3° |
| C17 | C16 | N2 | C2 | 100.8° | 118.0° |
| N2 | C16 | C17 | O4 | 156.0° | 71.4° |
| N2 | C16 | C15 | H11 | 173.9° | 143.0° |
| N2 | C16 | C15 | H12 | 54.1° | 23.8° |
| C16 | N2 | H14 | C2 | 180.0° | 179.8° |
| N2 | C16 | C17 | N3 | 22.1° | 108.3° |
| O4 | C17 | C16 | H13 | 40.6° | 170.0° |
| O4 | C17 | N3 | C24 | 5.6° | 16.8° |
| O4 | C17 | N3 | H15 | 174.4° | 163.1° |
| H8 | C12 | C13 | H10 | 0.9° | 2.1° |
| H11 | C15 | C16 | H13 | 57.8° | 25.6° |
| H12 | C15 | C16 | H13 | 62.0° | 93.7° |
| H13 | C16 | N2 | H14 | 166.0° | 179.0° |
| H13 | C16 | N2 | C2 | 14.1° | 1.2° |
| H13 | C16 | C17 | N3 | 137.5° | 10.3° |
| N3 | C24 | C23 | C19 | 39.7° | 57.7° |
| N3 | C24 | C23 | C22 | 140.2° | 122.6° |
| N3 | C24 | C23 | C25 | 127.8° | 125.8° |
| N3 | C24 | C23 | H16 | 116.5° | 115.6° |
| N3 | C24 | C25 | H16 | 119.3° | 119.9° |
| N3 | C24 | C25 | O7 | 149.6° | 76.8° |
| C24 | N3 | H15 | C17 | 180.0° | 179.8° |
| N3 | C24 | C25 | N4 | 31.2° | 106.5° |
| O5 | C18 | C19 | C20 | 173.7° | 179.5° |
| O5 | C18 | C19 | C23 | 172.7° | 179.6° |
| O5 | C18 | C20 | C21 | 172.9° | 179.9° |
| O5 | C18 | C19 | H17 | 7.3° | 0.9° |
| O5 | C18 | C20 | H18 | 7.1° | 0.1° |
| C18 | C19 | C23 | H17 | 180.0° | 179.5° |
| C19 | C18 | C20 | C21 | 0.8° | 0.6° |
| C18 | C19 | C23 | C22 | 0.8° | 0.5° |
| C18 | C19 | C23 | C24 | 179.2° | 179.8° |
| C19 | C18 | C20 | H18 | 179.2° | 179.4° |
| C19 | C18 | O5 | C7 | 8.0° | 81.0° |
| C20 | C18 | C19 | C23 | 1.0° | 0.9° |
| C18 | C20 | C21 | H18 | 180.0° | 179.9° |
| C18 | C20 | C21 | O6 | 179.6° | 179.9° |
| C18 | C20 | C21 | C22 | 0.4° | 0.0° |
| C20 | C18 | C19 | H17 | 179.0° | 178.7° |
| C20 | C18 | O5 | C7 | 165.7° | 99.5° |
| C19 | C23 | C22 | C21 | 0.3° | 0.2° |
| C19 | C23 | C22 | C24 | 179.9° | 179.8° |
| C19 | C23 | C24 | C25 | 88.1° | 68.1° |
| C19 | C23 | C24 | H16 | 156.2° | 173.3° |
| C19 | C23 | C22 | H20 | 179.7° | 179.9° |
| C20 | C21 | O6 | C22 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.1° | 0.4° |
| C20 | C21 | O6 | H19 | 180.0° | 90.0° |
| C20 | C21 | C22 | H20 | 179.9° | 179.6° |
| O6 | C21 | C22 | C23 | 179.9° | 179.5° |
| O6 | C21 | C20 | H18 | 0.4° | 0.1° |
| O6 | C21 | C22 | H20 | 0.1° | 0.4° |
| C21 | C22 | C23 | H20 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 179.6° | 179.6° |
| C22 | C21 | C20 | H18 | 179.6° | 179.9° |
| C22 | C21 | O6 | H19 | 0.0° | 90.0° |
| C22 | C23 | C24 | C25 | 92.0° | 111.6° |
| C22 | C23 | C24 | H16 | 23.7° | 7.0° |
| C22 | C23 | C19 | H17 | 179.2° | 179.0° |
| C23 | C24 | C25 | H16 | 115.7° | 117.5° |
| C23 | C24 | C25 | O7 | 85.5° | 45.8° |
| C23 | C24 | N3 | H15 | 82.1° | 106.5° |
| C24 | C23 | C19 | H17 | 0.9° | 0.7° |
| C24 | C23 | C22 | H20 | 0.4° | 0.4° |
| C23 | C24 | N3 | C17 | 97.9° | 73.7° |
| C23 | C24 | C25 | N4 | 93.8° | 130.9° |
| C24 | C25 | O7 | N4 | 179.2° | 177.2° |
| C25 | C24 | N3 | H15 | 42.8° | 129.8° |
| C24 | C25 | N4 | C26 | 178.1° | 95.9° |
| C24 | C25 | N4 | H21 | 1.9° | 84.1° |
| C25 | C24 | N3 | C17 | 137.2° | 50.1° |
| O7 | C25 | C24 | H16 | 30.3° | 163.3° |
| O7 | C25 | N4 | C26 | 2.7° | 87.4° |
| O7 | C25 | N4 | H21 | 177.3° | 92.7° |
| H15 | N3 | C24 | H16 | 161.8° | 9.0° |
| H16 | C24 | N3 | C17 | 18.2° | 170.9° |
| H16 | C24 | C25 | N4 | 150.5° | 13.4° |
| C26 | N4 | H21 | C25 | 180.0° | 180.0° |
| N4 | C26 | C27 | C28 | 122.0° | 128.3° |
| N4 | C26 | C27 | H22 | 119.5° | 117.6° |
| N4 | C26 | C28 | H22 | 119.6° | 118.5° |
| N4 | C26 | C27 | O8 | 45.7° | 58.3° |
| N4 | C26 | C28 | C29 | 34.8° | 45.0° |
| N4 | C26 | C28 | C33 | 145.6° | 135.7° |
| N4 | C26 | C27 | N5 | 132.7° | 121.3° |
| H21 | N4 | C26 | C27 | 74.8° | 23.2° |
| H21 | N4 | C26 | C28 | 47.2° | 102.0° |
| H21 | N4 | C26 | H22 | 166.2° | 140.1° |
| C27 | C26 | C28 | H22 | 118.6° | 114.0° |
| C26 | C27 | O8 | N5 | 178.3° | 179.6° |
| C27 | C26 | C28 | C29 | 156.7° | 172.5° |
| C27 | C26 | C28 | C33 | 23.7° | 8.2° |
| C26 | C27 | N5 | C34 | 161.3° | 150.8° |
| C26 | C27 | N5 | H25 | 18.7° | 29.5° |
| C27 | C26 | N4 | C25 | 105.2° | 156.8° |
| C28 | C26 | C27 | O8 | 76.3° | 70.0° |
| C26 | C28 | C29 | C33 | 179.6° | 179.3° |
| C26 | C28 | C29 | C30 | 179.8° | 178.1° |
| C26 | C28 | C29 | H23 | 0.2° | 1.8° |
| C26 | C28 | C33 | C32 | 179.9° | 179.0° |
| C26 | C28 | C33 | H24 | 0.1° | 0.9° |
| C28 | C26 | N4 | C25 | 132.8° | 78.1° |
| C28 | C26 | C27 | N5 | 105.3° | 110.4° |
| H22 | C26 | C27 | O8 | 165.2° | 175.9° |
| H22 | C26 | C28 | C29 | 84.8° | 73.5° |
| H22 | C26 | C28 | C33 | 94.8° | 105.8° |
| H22 | C26 | N4 | C25 | 13.8° | 39.8° |
| H22 | C26 | C27 | N5 | 13.2° | 3.7° |
| O8 | C27 | N5 | C34 | 20.4° | 29.6° |
| O8 | C27 | N5 | H25 | 159.6° | 150.1° |
| C28 | C29 | C30 | H23 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.2° | 2.6° |
| C29 | C28 | C33 | C32 | 0.3° | 0.2° |
| C29 | C28 | C33 | H24 | 179.7° | 179.9° |
| C28 | C29 | C30 | O3 | 179.9° | 176.8° |
| C33 | C28 | C29 | C30 | 0.2° | 1.2° |
| C33 | C28 | C29 | H23 | 179.8° | 178.9° |
| C28 | C33 | C32 | C31 | 0.1° | 0.6° |
| C28 | C33 | C32 | H24 | 180.0° | 179.9° |
| C28 | C33 | C32 | O14 | 176.7° | 177.3° |
| C29 | C30 | C31 | O3 | 179.8° | 179.4° |
| C29 | C30 | C31 | O9 | 179.2° | 178.0° |
| C29 | C30 | C31 | C32 | 0.4° | 3.0° |
| H23 | C29 | C30 | C31 | 179.8° | 177.5° |
| H23 | C29 | C30 | O3 | 0.0° | 3.1° |
| C30 | C31 | O9 | C32 | 178.8° | 179.0° |
| C30 | C31 | C32 | C33 | 0.3° | 2.0° |
| C30 | C31 | O9 | C59 | 74.8° | 90.0° |
| C30 | C31 | C32 | O14 | 177.1° | 175.9° |
| O9 | C31 | C32 | C33 | 179.1° | 179.0° |
| C31 | O9 | C59 | C60 | 162.7° | 175.0° |
| C31 | O9 | C59 | O21 | 75.5° | 65.1° |
| C31 | O9 | C59 | H44 | 44.6° | 55.0° |
| O9 | C31 | C30 | O3 | 1.0° | 2.6° |
| O9 | C31 | C32 | O14 | 4.1° | 3.1° |
| C31 | C32 | C33 | O14 | 176.8° | 177.9° |
| C31 | C32 | C33 | H24 | 179.9° | 179.4° |
| C31 | C32 | O14 | C50 | 176.5° | 126.1° |
| C32 | C31 | C30 | O3 | 179.8° | 176.4° |
| C32 | C31 | O9 | C59 | 106.4° | 89.0° |
| C33 | C32 | O14 | C50 | 0.3° | 51.8° |
| H24 | C33 | C32 | O14 | 3.3° | 2.6° |
| C34 | N5 | H25 | C27 | 180.0° | 179.7° |
| N5 | C34 | C35 | C36 | 124.8° | 118.4° |
| N5 | C34 | C35 | H26 | 118.5° | 123.3° |
| N5 | C34 | C36 | H26 | 124.9° | 125.7° |
| N5 | C34 | C35 | O10 | 23.8° | 8.9° |
| N5 | C34 | C36 | C37 | 128.0° | 61.8° |
| N5 | C34 | C36 | C41 | 55.1° | 118.8° |
| N5 | C34 | C35 | N6 | 156.3° | 170.5° |
| H25 | N5 | C34 | C35 | 40.3° | 70.6° |
| H25 | N5 | C34 | C36 | 77.1° | 43.3° |
| H25 | N5 | C34 | H26 | 158.4° | 168.0° |
| C35 | C34 | C36 | H26 | 116.9° | 117.6° |
| C34 | C35 | O10 | N6 | 179.8° | 179.4° |
| C35 | C34 | C36 | C37 | 113.7° | 54.9° |
| C35 | C34 | C36 | C41 | 63.1° | 124.5° |
| C34 | C35 | N6 | C42 | 3.9° | 154.4° |
| C34 | C35 | N6 | H31 | 176.1° | 25.9° |
| C35 | C34 | N5 | C27 | 139.7° | 109.7° |
| C36 | C34 | C35 | O10 | 100.9° | 127.3° |
| C34 | C36 | C37 | C41 | 176.9° | 179.4° |
| C34 | C36 | C37 | C38 | 177.5° | 174.4° |
| C34 | C36 | C37 | H27 | 2.5° | 6.7° |
| C34 | C36 | C41 | C40 | 178.0° | 174.9° |
| C34 | C36 | C41 | H30 | 2.0° | 5.1° |
| C36 | C34 | N5 | C27 | 102.8° | 136.4° |
| C36 | C34 | C35 | N6 | 78.9° | 52.1° |
| H26 | C34 | C35 | O10 | 142.3° | 114.4° |
| H26 | C34 | C36 | C37 | 3.1° | 172.5° |
| H26 | C34 | C36 | C41 | 180.0° | 6.9° |
| H26 | C34 | N5 | C27 | 21.7° | 11.8° |
| H26 | C34 | C35 | N6 | 37.8° | 66.2° |
| O10 | C35 | N6 | C42 | 176.3° | 25.0° |
| O10 | C35 | N6 | H31 | 3.7° | 154.7° |
| C36 | C37 | C38 | H27 | 180.0° | 178.8° |
| C36 | C37 | C38 | C39 | 0.5° | 0.8° |
| C37 | C36 | C41 | C40 | 1.2° | 4.5° |
| C37 | C36 | C41 | H30 | 178.8° | 175.5° |
| C36 | C37 | C38 | C52 | 172.8° | 176.6° |
| C41 | C36 | C37 | C38 | 0.6° | 5.0° |
| C41 | C36 | C37 | H27 | 179.4° | 173.9° |
| C36 | C41 | C40 | C39 | 0.7° | 0.1° |
| C36 | C41 | C40 | H30 | 180.0° | 180.0° |
| C36 | C41 | C40 | H29 | 179.3° | 179.7° |
| C37 | C38 | C39 | C52 | 173.2° | 177.5° |
| C37 | C38 | C39 | O11 | 179.4° | 175.0° |
| C37 | C38 | C39 | C40 | 1.0° | 3.8° |
| C37 | C38 | C52 | C51 | 104.7° | 140.3° |
| C37 | C38 | C52 | C56 | 73.5° | 37.1° |
| H27 | C37 | C38 | C39 | 179.5° | 178.1° |
| H27 | C37 | C38 | C52 | 7.2° | 4.6° |
| C38 | C39 | O11 | C40 | 179.6° | 178.8° |
| C38 | C39 | O11 | H28 | 180.0° | 95.1° |
| C38 | C39 | C40 | C41 | 0.4° | 4.2° |
| C38 | C39 | C40 | H29 | 179.6° | 176.1° |
| C39 | C38 | C52 | C51 | 82.1° | 42.4° |
| C39 | C38 | C52 | C56 | 99.7° | 140.2° |
| O11 | C39 | C40 | C41 | 180.0° | 174.6° |
| O11 | C39 | C40 | H29 | 0.0° | 5.0° |
| O11 | C39 | C38 | C52 | 7.4° | 2.4° |
| C40 | C39 | O11 | H28 | 0.4° | 83.7° |
| C39 | C40 | C41 | H29 | 180.0° | 179.6° |
| C39 | C40 | C41 | H30 | 179.3° | 179.9° |
| C40 | C39 | C38 | C52 | 172.2° | 178.7° |
| H29 | C40 | C41 | H30 | 0.7° | 0.3° |
| N6 | C42 | C43 | C44 | 116.6° | 122.9° |
| N6 | C42 | C43 | H32 | 119.6° | 116.7° |
| N6 | C42 | C44 | H32 | 119.2° | 121.4° |
| N6 | C42 | C43 | O12 | 27.5° | 101.2° |
| N6 | C42 | C44 | O13 | 51.0° | 145.0° |
| N6 | C42 | C44 | C45 | 64.9° | 22.3° |
| C42 | N6 | H31 | C35 | 180.0° | 179.7° |
| N6 | C42 | C44 | H33 | 172.7° | 96.8° |
| N6 | C42 | C43 | N7 | 151.3° | 77.5° |
| C43 | C42 | C44 | H32 | 123.6° | 119.8° |
| C42 | C43 | O12 | N7 | 178.7° | 178.6° |
| C43 | C42 | C44 | O13 | 66.2° | 26.2° |
| C43 | C42 | C44 | C45 | 178.0° | 96.5° |
| C43 | C42 | N6 | H31 | 72.2° | 140.6° |
| C43 | C42 | C44 | H33 | 55.6° | 144.5° |
| C42 | C43 | N7 | C57 | 162.8° | 165.2° |
| C42 | C43 | N7 | H38 | 17.2° | 14.7° |
| C43 | C42 | N6 | C35 | 107.8° | 39.7° |
| C44 | C42 | C43 | O12 | 89.1° | 21.7° |
| C42 | C44 | O13 | C45 | 109.4° | 123.7° |
| C42 | C44 | O13 | H33 | 120.7° | 118.4° |
| C42 | C44 | C45 | H33 | 121.0° | 119.2° |
| C42 | C44 | C45 | C46 | 82.7° | 102.4° |
| C42 | C44 | C45 | C47 | 94.0° | 77.8° |
| C44 | C42 | N6 | H31 | 49.9° | 96.9° |
| C44 | C42 | N6 | C35 | 130.1° | 82.8° |
| C44 | C42 | C43 | N7 | 92.0° | 159.6° |
| C42 | C44 | O13 | C75 | 168.5° | 150.0° |
| O12 | C43 | C42 | H32 | 147.1° | 142.1° |
| O12 | C43 | N7 | C57 | 16.0° | 13.5° |
| O12 | C43 | N7 | H38 | 164.0° | 166.6° |
| O13 | C44 | C45 | H33 | 129.8° | 117.9° |
| O13 | C44 | C45 | C46 | 168.1° | 20.5° |
| O13 | C44 | C45 | C47 | 15.2° | 159.3° |
| O13 | C44 | C42 | H32 | 170.2° | 93.6° |
| C44 | O13 | C75 | C76 | 168.1° | 175.1° |
| C44 | O13 | C75 | O26 | 72.6° | 65.1° |
| C44 | O13 | C75 | H74 | 49.6° | 55.0° |
| C44 | C45 | C46 | C47 | 176.8° | 179.8° |
| C44 | C45 | C46 | C48 | 178.3° | 177.2° |
| C44 | C45 | C47 | C49 | 178.2° | 177.2° |
| C45 | C44 | C42 | H32 | 54.3° | 143.8° |
| C44 | C45 | C46 | H34 | 1.7° | 2.5° |
| C44 | C45 | C47 | H35 | 1.9° | 3.0° |
| C45 | C44 | O13 | C75 | 82.1° | 86.3° |
| C45 | C46 | C48 | H34 | 180.0° | 179.7° |
| C46 | C45 | C47 | C49 | 1.5° | 3.0° |
| C45 | C46 | C48 | C50 | 1.2° | 0.2° |
| C46 | C45 | C44 | H33 | 38.3° | 138.4° |
| C46 | C45 | C47 | H35 | 178.5° | 176.9° |
| C45 | C46 | C48 | H36 | 178.7° | 179.9° |
| C47 | C45 | C46 | C48 | 1.5° | 3.0° |
| C45 | C47 | C49 | H35 | 180.0° | 179.8° |
| C45 | C47 | C49 | C50 | 1.2° | 0.2° |
| C47 | C45 | C44 | H33 | 145.0° | 41.4° |
| C47 | C45 | C46 | H34 | 178.5° | 177.4° |
| C45 | C47 | C49 | H37 | 178.8° | 180.0° |
| C46 | C48 | C50 | H36 | 180.0° | 179.8° |
| C46 | C48 | C50 | C49 | 0.9° | 2.6° |
| C46 | C48 | C50 | O14 | 179.8° | 175.1° |
| C47 | C49 | C50 | C48 | 0.9° | 2.6° |
| C47 | C49 | C50 | H37 | 180.0° | 179.8° |
| C47 | C49 | C50 | O14 | 179.9° | 175.0° |
| C48 | C50 | C49 | O14 | 179.2° | 177.6° |
| C50 | C48 | C46 | H34 | 178.8° | 179.9° |
| C48 | C50 | C49 | H37 | 179.1° | 177.2° |
| C48 | C50 | O14 | C32 | 84.4° | 46.0° |
| C50 | C49 | C47 | H35 | 178.8° | 179.6° |
| C49 | C50 | C48 | H36 | 179.1° | 177.2° |
| C49 | C50 | O14 | C32 | 96.3° | 131.7° |
| O14 | C50 | C48 | H36 | 0.2° | 5.1° |
| O14 | C50 | C49 | H37 | 0.1° | 5.2° |
| H31 | N6 | C42 | H32 | 168.7° | 24.6° |
| H32 | C42 | C44 | H33 | 68.0° | 24.7° |
| H32 | C42 | N6 | C35 | 11.3° | 155.7° |
| H32 | C42 | C43 | N7 | 31.7° | 39.2° |
| H33 | C44 | O13 | C75 | 47.9° | 31.6° |
| H34 | C46 | C48 | H36 | 1.3° | 0.3° |
| H35 | C47 | C49 | H37 | 1.1° | 0.2° |
| N7 | C57 | C56 | C52 | 67.7° | 66.7° |
| N7 | C57 | C56 | C55 | 111.9° | 119.2° |
| N7 | C57 | C56 | C58 | 123.3° | 124.6° |
| N7 | C57 | C56 | H39 | 118.2° | 118.8° |
| N7 | C57 | C58 | H39 | 120.8° | 117.1° |
| N7 | C57 | C58 | O17 | 155.6° | 20.0° |
| N7 | C57 | C58 | O18 | 23.7° | 160.0° |
| C57 | N7 | H38 | C43 | 180.0° | 180.0° |
| O15 | C51 | C52 | C53 | 178.8° | 177.9° |
| O15 | C51 | C52 | C56 | 178.3° | 168.8° |
| O15 | C51 | C53 | C54 | 178.2° | 177.7° |
| O15 | C51 | C53 | H40 | 1.8° | 2.3° |
| C51 | O15 | C83 | C84 | 175.6° | 170.0° |
| C51 | O15 | C83 | O32 | 69.0° | 70.0° |
| C51 | O15 | C83 | H88 | 54.9° | 50.0° |
| O15 | C51 | C52 | C38 | 0.1° | 8.7° |
| C51 | C52 | C56 | C38 | 178.3° | 177.3° |
| C52 | C51 | C53 | C54 | 0.6° | 4.3° |
| C51 | C52 | C56 | C55 | 0.0° | 14.8° |
| C51 | C52 | C56 | C57 | 179.6° | 159.3° |
| C52 | C51 | C53 | H40 | 179.4° | 175.7° |
| C52 | C51 | O15 | C83 | 159.9° | 180.0° |
| C53 | C51 | C52 | C56 | 0.5° | 13.2° |
| C51 | C53 | C54 | H40 | 180.0° | 180.0° |
| C51 | C53 | C54 | O16 | 179.5° | 178.0° |
| C51 | C53 | C54 | C55 | 0.2° | 3.0° |
| C53 | C51 | C52 | C38 | 178.9° | 169.2° |
| C53 | C51 | O15 | C83 | 19.1° | 1.9° |
| C52 | C56 | C55 | C54 | 0.3° | 8.0° |
| C52 | C56 | C55 | C57 | 179.7° | 174.3° |
| C52 | C56 | C57 | C58 | 169.0° | 168.7° |
| C52 | C56 | C57 | H39 | 50.4° | 52.1° |
| C52 | C56 | C55 | H42 | 179.7° | 168.9° |
| C53 | C54 | O16 | C55 | 179.7° | 179.0° |
| C53 | C54 | C55 | C56 | 0.2° | 1.1° |
| C53 | C54 | O16 | H41 | 180.0° | 90.0° |
| C53 | C54 | C55 | H42 | 179.8° | 178.2° |
| O16 | C54 | C55 | C56 | 179.9° | 179.9° |
| O16 | C54 | C53 | H40 | 0.5° | 2.0° |
| O16 | C54 | C55 | H42 | 0.1° | 2.8° |
| C54 | C55 | C56 | H42 | 180.0° | 176.9° |
| C54 | C55 | C56 | C57 | 180.0° | 166.4° |
| C55 | C54 | C53 | H40 | 179.8° | 177.0° |
| C55 | C54 | O16 | H41 | 0.3° | 91.0° |
| C55 | C56 | C57 | C58 | 11.4° | 5.4° |
| C55 | C56 | C57 | H39 | 129.9° | 122.0° |
| C55 | C56 | C52 | C38 | 178.3° | 167.9° |
| C56 | C57 | C58 | H39 | 118.6° | 116.8° |
| C56 | C57 | C58 | O17 | 83.8° | 106.1° |
| C56 | C57 | C58 | O18 | 96.9° | 73.8° |
| C56 | C57 | N7 | H38 | 39.6° | 8.7° |
| C57 | C56 | C55 | H42 | 0.0° | 16.8° |
| C57 | C56 | C52 | C38 | 1.3° | 18.0° |
| C56 | C57 | N7 | C43 | 140.4° | 171.3° |
| C57 | C58 | O17 | O18 | 179.3° | 179.9° |
| C58 | C57 | N7 | H38 | 82.5° | 116.6° |
| C57 | C58 | O18 | H43 | 179.3° | 180.0° |
| C58 | C57 | N7 | C43 | 97.6° | 63.5° |
| O17 | C58 | C57 | H39 | 34.9° | 137.1° |
| O17 | C58 | O18 | H43 | 0.0° | 0.0° |
| O18 | C58 | C57 | H39 | 144.5° | 42.9° |
| H38 | N7 | C57 | H39 | 157.3° | 127.0° |
| H39 | C57 | N7 | C43 | 22.7° | 52.9° |
| C60 | C59 | O21 | H44 | 119.8° | 119.9° |
| C60 | C59 | O21 | O9 | 119.6° | 120.0° |
| C60 | C59 | H44 | O9 | 118.0° | 120.0° |
| C59 | C60 | C61 | N8 | 110.5° | 119.9° |
| C59 | C60 | C61 | H45 | 123.5° | 119.9° |
| C59 | C60 | N8 | H45 | 120.2° | 120.1° |
| C59 | C60 | C61 | C62 | 59.7° | 57.0° |
| C59 | C60 | C61 | O19 | 176.7° | 176.8° |
| C59 | C60 | C61 | H46 | 61.3° | 62.9° |
| C60 | C59 | O21 | C63 | 60.0° | 61.2° |
| C59 | C60 | N8 | H51 | 65.7° | 95.0° |
| C59 | C60 | N8 | C74 | 114.3° | 85.0° |
| O21 | C59 | H44 | O9 | 120.0° | 120.1° |
| O21 | C59 | C60 | C61 | 60.0° | 57.6° |
| O21 | C59 | C60 | N8 | 175.5° | 177.5° |
| O21 | C59 | C60 | H45 | 63.7° | 62.4° |
| C59 | O21 | C63 | C62 | 59.1° | 61.2° |
| C59 | O21 | C63 | C64 | 179.8° | 178.9° |
| C59 | O21 | C63 | H48 | 60.4° | 58.8° |
| H44 | C59 | C60 | C61 | 60.4° | 62.4° |
| H44 | C59 | C60 | N8 | 55.0° | 57.5° |
| H44 | C59 | C60 | H45 | 175.9° | 177.7° |
| H44 | C59 | O21 | C63 | 59.8° | 58.8° |
| C61 | C60 | N8 | H45 | 125.7° | 120.2° |
| C60 | C61 | C62 | O19 | 116.1° | 119.8° |
| C60 | C61 | C62 | H46 | 121.1° | 119.9° |
| C60 | C61 | O19 | H46 | 121.4° | 120.2° |
| C60 | C61 | C62 | C63 | 61.0° | 57.0° |
| C60 | C61 | C62 | O20 | 179.9° | 176.9° |
| C60 | C61 | C62 | H47 | 58.4° | 62.9° |
| C61 | C60 | N8 | H51 | 48.4° | 24.7° |
| C60 | C61 | O19 | H52 | 180.0° | 180.0° |
| C61 | C60 | C59 | O9 | 179.8° | 177.6° |
| C61 | C60 | N8 | C74 | 131.6° | 155.4° |
| N8 | C60 | C61 | C62 | 170.2° | 176.9° |
| N8 | C60 | C61 | O19 | 72.8° | 63.3° |
| N8 | C60 | C61 | H46 | 49.2° | 57.0° |
| C60 | N8 | H51 | C74 | 180.0° | 180.0° |
| C60 | N8 | C74 | C72 | 157.8° | 180.0° |
| C60 | N8 | C74 | O23 | 6.3° | 0.0° |
| N8 | C60 | C59 | O9 | 64.3° | 62.5° |
| H45 | C60 | C61 | C62 | 63.8° | 62.9° |
| H45 | C60 | C61 | O19 | 53.2° | 56.9° |
| H45 | C60 | C61 | H46 | 175.3° | 177.2° |
| H45 | C60 | N8 | H51 | 174.1° | 144.9° |
| H45 | C60 | C59 | O9 | 56.5° | 57.7° |
| H45 | C60 | N8 | C74 | 5.9° | 35.1° |
| C62 | C61 | O19 | H46 | 121.9° | 120.2° |
| C61 | C62 | C63 | O20 | 119.6° | 119.9° |
| C61 | C62 | C63 | H47 | 119.4° | 119.9° |
| C61 | C62 | O20 | H47 | 120.8° | 120.2° |
| C61 | C62 | C63 | C64 | 179.6° | 177.6° |
| C61 | C62 | C63 | O21 | 59.9° | 57.6° |
| C61 | C62 | C63 | H48 | 60.2° | 62.4° |
| C62 | C61 | O19 | H52 | 63.3° | 60.5° |
| C61 | C62 | O20 | H53 | 180.0° | 180.0° |
| O19 | C61 | C62 | C63 | 177.1° | 176.8° |
| O19 | C61 | C62 | O20 | 63.9° | 63.3° |
| O19 | C61 | C62 | H47 | 57.8° | 56.9° |
| H46 | C61 | C62 | C63 | 60.1° | 62.9° |
| H46 | C61 | C62 | O20 | 58.9° | 57.0° |
| H46 | C61 | C62 | H47 | 179.5° | 177.2° |
| H46 | C61 | O19 | H52 | 58.7° | 59.8° |
| C63 | C62 | O20 | H47 | 120.1° | 120.2° |
| C62 | C63 | C64 | O21 | 120.5° | 119.9° |
| C62 | C63 | C64 | H48 | 119.4° | 120.0° |
| C62 | C63 | O21 | H48 | 119.5° | 120.0° |
| C62 | C63 | C64 | O22 | 60.6° | 175.0° |
| C62 | C63 | C64 | H49 | 179.4° | 55.0° |
| C62 | C63 | C64 | H50 | 59.3° | 65.0° |
| C63 | C62 | O20 | H53 | 60.9° | 60.3° |
| O20 | C62 | C63 | C64 | 60.0° | 62.5° |
| O20 | C62 | C63 | O21 | 179.4° | 177.5° |
| O20 | C62 | C63 | H48 | 59.4° | 57.5° |
| H47 | C62 | C63 | C64 | 61.0° | 57.7° |
| H47 | C62 | C63 | O21 | 59.5° | 62.3° |
| H47 | C62 | C63 | H48 | 179.6° | 177.7° |
| H47 | C62 | O20 | H53 | 59.2° | 59.8° |
| C64 | C63 | O21 | H48 | 119.5° | 120.0° |
| C63 | C64 | O22 | H49 | 119.9° | 120.0° |
| C63 | C64 | O22 | H50 | 119.9° | 120.0° |
| C63 | C64 | H49 | H50 | 120.1° | 120.0° |
| C63 | C64 | O22 | H54 | 180.0° | 180.0° |
| O21 | C63 | C64 | O22 | 59.8° | 65.1° |
| O21 | C63 | C64 | H49 | 60.1° | 174.9° |
| O21 | C63 | C64 | H50 | 179.7° | 54.9° |
| C63 | O21 | C59 | O9 | 179.6° | 178.8° |
| H48 | C63 | C64 | O22 | 179.9° | 54.9° |
| H48 | C63 | C64 | H49 | 60.0° | 65.0° |
| H48 | C63 | C64 | H50 | 60.2° | 175.0° |
| O22 | C64 | H49 | H50 | 120.1° | 120.0° |
| H49 | C64 | O22 | H54 | 60.0° | 60.0° |
| H50 | C64 | O22 | H54 | 60.1° | 60.0° |
| H51 | N8 | C74 | C72 | 22.2° | 0.1° |
| H51 | N8 | C74 | O23 | 173.8° | 180.0° |
| C74 | C72 | C71 | H55 | 118.4° | 120.0° |
| C74 | C72 | C71 | H56 | 118.5° | 120.0° |
| C72 | C74 | O23 | N8 | 163.7° | 179.9° |
| C74 | C72 | C71 | C70 | 176.7° | 180.0° |
| C74 | C72 | H55 | H56 | 124.4° | 120.1° |
| C74 | C72 | C71 | H57 | 55.3° | 60.0° |
| C74 | C72 | C71 | H58 | 62.0° | 60.0° |
| C71 | C72 | C74 | O23 | 61.2° | 0.0° |
| C72 | C71 | C70 | H57 | 121.3° | 120.0° |
| C72 | C71 | C70 | H58 | 121.3° | 120.1° |
| C72 | C71 | C70 | C69 | 178.0° | 180.0° |
| C71 | C72 | H55 | H56 | 124.4° | 119.9° |
| C72 | C71 | H57 | H58 | 115.8° | 120.0° |
| C72 | C71 | C70 | H59 | 58.9° | 60.0° |
| C72 | C71 | C70 | H60 | 62.9° | 59.9° |
| C71 | C72 | C74 | N8 | 102.8° | 180.0° |
| O23 | C74 | C72 | H55 | 57.2° | 120.0° |
| O23 | C74 | C72 | H56 | 179.7° | 119.9° |
| C71 | C70 | C69 | H59 | 119.1° | 120.0° |
| C71 | C70 | C69 | H60 | 119.1° | 120.1° |
| C71 | C70 | C69 | C68 | 58.0° | 180.0° |
| C70 | C71 | C72 | H55 | 64.9° | 60.0° |
| C70 | C71 | C72 | H56 | 58.2° | 60.0° |
| C70 | C71 | H57 | H58 | 115.9° | 120.0° |
| C71 | C70 | H59 | H60 | 122.6° | 120.0° |
| C71 | C70 | C69 | H61 | 61.8° | 60.0° |
| C71 | C70 | C69 | H62 | 177.8° | 60.0° |
| C70 | C69 | C68 | H61 | 119.8° | 120.0° |
| C70 | C69 | C68 | H62 | 119.8° | 120.0° |
| C70 | C69 | C68 | C67 | 175.8° | 179.9° |
| C69 | C70 | C71 | H57 | 60.7° | 60.0° |
| C69 | C70 | C71 | H58 | 56.7° | 59.9° |
| C69 | C70 | H59 | H60 | 122.7° | 120.0° |
| C70 | C69 | H61 | H62 | 120.6° | 120.0° |
| C70 | C69 | C68 | H63 | 63.8° | 60.0° |
| C70 | C69 | C68 | H64 | 55.5° | 60.0° |
| C69 | C68 | C67 | H63 | 120.4° | 120.1° |
| C69 | C68 | C67 | H64 | 120.3° | 119.9° |
| C69 | C68 | C67 | C66 | 61.8° | 180.0° |
| C68 | C69 | C70 | H59 | 177.1° | 60.0° |
| C68 | C69 | C70 | H60 | 61.1° | 60.0° |
| C68 | C69 | H61 | H62 | 120.5° | 120.0° |
| C69 | C68 | H63 | H64 | 119.0° | 120.0° |
| C69 | C68 | C67 | H65 | 177.5° | 60.0° |
| C69 | C68 | C67 | H66 | 58.8° | 60.1° |
| C68 | C67 | C66 | H65 | 120.6° | 120.0° |
| C68 | C67 | C66 | H66 | 120.6° | 119.9° |
| C68 | C67 | C66 | C65 | 177.5° | 175.0° |
| C68 | C67 | C66 | C73 | 67.5° | 65.0° |
| C67 | C68 | C69 | H61 | 56.0° | 60.0° |
| C67 | C68 | C69 | H62 | 64.3° | 60.1° |
| C67 | C68 | H63 | H64 | 119.0° | 120.0° |
| C68 | C67 | H65 | H66 | 118.1° | 120.0° |
| C68 | C67 | C66 | H67 | 55.4° | 55.1° |
| C67 | C66 | C65 | C73 | 116.0° | 120.0° |
| C67 | C66 | C65 | H67 | 122.2° | 120.0° |
| C67 | C66 | C73 | H67 | 122.9° | 120.0° |
| C66 | C67 | C68 | H63 | 58.5° | 59.9° |
| C66 | C67 | C68 | H64 | 177.9° | 60.1° |
| C66 | C67 | H65 | H66 | 118.1° | 120.0° |
| C67 | C66 | C65 | H68 | 180.0° | 60.0° |
| C67 | C66 | C65 | H69 | 60.0° | 60.0° |
| C67 | C66 | C65 | H70 | 60.0° | 180.0° |
| C67 | C66 | C73 | H71 | 180.0° | 180.0° |
| C67 | C66 | C73 | H72 | 60.0° | 60.0° |
| C67 | C66 | C73 | H73 | 60.0° | 60.0° |
| C65 | C66 | C73 | H67 | 121.7° | 120.0° |
| C65 | C66 | C67 | H65 | 61.8° | 55.0° |
| C65 | C66 | C67 | H66 | 56.9° | 65.0° |
| C66 | C65 | H68 | H69 | 120.0° | 120.0° |
| C66 | C65 | H68 | H70 | 120.0° | 120.0° |
| C66 | C65 | H69 | H70 | 120.0° | 120.0° |
| C65 | C66 | C73 | H71 | 64.6° | 60.0° |
| C65 | C66 | C73 | H72 | 175.4° | 180.0° |
| C65 | C66 | C73 | H73 | 55.4° | 60.0° |
| C73 | C66 | C67 | H65 | 53.2° | 175.0° |
| C73 | C66 | C67 | H66 | 171.9° | 55.0° |
| C73 | C66 | C65 | H68 | 64.0° | 60.0° |
| C73 | C66 | C65 | H69 | 56.0° | 180.0° |
| C73 | C66 | C65 | H70 | 176.0° | 60.0° |
| C66 | C73 | H71 | H72 | 120.0° | 120.0° |
| C66 | C73 | H71 | H73 | 120.0° | 120.1° |
| C66 | C73 | H72 | H73 | 120.0° | 120.0° |
| H55 | C72 | C71 | H57 | 173.8° | 180.0° |
| H55 | C72 | C71 | H58 | 56.4° | 60.0° |
| H55 | C72 | C74 | N8 | 138.8° | 60.1° |
| H56 | C72 | C71 | H57 | 63.1° | 60.0° |
| H56 | C72 | C71 | H58 | 179.5° | 180.0° |
| H56 | C72 | C74 | N8 | 15.6° | 60.0° |
| H57 | C71 | C70 | H59 | 179.8° | 180.0° |
| H57 | C71 | C70 | H60 | 58.4° | 60.0° |
| H58 | C71 | C70 | H59 | 62.4° | 60.0° |
| H58 | C71 | C70 | H60 | 175.8° | 180.0° |
| H59 | C70 | C69 | H61 | 57.3° | 180.0° |
| H59 | C70 | C69 | H62 | 63.1° | 60.0° |
| H60 | C70 | C69 | H61 | 179.1° | 60.0° |
| H60 | C70 | C69 | H62 | 58.7° | 180.0° |
| H61 | C69 | C68 | H63 | 176.4° | 180.0° |
| H61 | C69 | C68 | H64 | 64.3° | 60.0° |
| H62 | C69 | C68 | H63 | 56.0° | 60.0° |
| H62 | C69 | C68 | H64 | 175.3° | NaN° |
| H63 | C68 | C67 | H65 | 62.1° | 180.0° |
| H63 | C68 | C67 | H66 | 179.2° | 60.0° |
| H64 | C68 | C67 | H65 | 57.2° | 59.9° |
| H64 | C68 | C67 | H66 | 61.5° | 180.0° |
| H65 | C67 | C66 | H67 | 176.0° | 65.0° |
| H66 | C67 | C66 | H67 | 65.2° | 175.0° |
| H67 | C66 | C65 | H68 | 57.8° | 180.0° |
| H67 | C66 | C65 | H69 | 177.8° | 60.0° |
| H67 | C66 | C65 | H70 | 62.2° | 60.0° |
| H67 | C66 | C73 | H71 | 57.1° | 60.0° |
| H67 | C66 | C73 | H72 | 62.9° | 60.0° |
| H67 | C66 | C73 | H73 | 177.1° | 180.0° |
| H68 | C65 | H69 | H70 | 120.0° | 120.0° |
| H71 | C73 | H72 | H73 | 120.0° | 120.0° |
| C76 | C75 | O26 | H74 | 120.4° | 120.0° |
| C76 | C75 | O26 | O13 | 117.1° | 119.9° |
| C76 | C75 | H74 | O13 | 117.1° | 120.0° |
| C75 | C76 | C77 | N9 | 121.1° | 119.9° |
| C75 | C76 | C77 | H75 | 118.3° | 120.0° |
| C75 | C76 | N9 | H75 | 118.6° | 120.2° |
| C75 | C76 | C77 | C78 | 54.2° | 57.0° |
| C75 | C76 | C77 | O24 | 172.3° | 176.9° |
| C75 | C76 | C77 | H76 | 66.0° | 62.9° |
| C76 | C75 | O26 | C79 | 62.2° | 61.2° |
| C75 | C76 | N9 | C81 | 96.6° | 85.0° |
| C75 | C76 | N9 | H84 | 83.4° | 95.1° |
| O26 | C75 | H74 | O13 | 121.7° | 120.0° |
| O26 | C75 | C76 | C77 | 61.1° | 57.7° |
| O26 | C75 | C76 | N9 | 176.3° | 177.5° |
| O26 | C75 | C76 | H75 | 57.2° | 62.3° |
| C75 | O26 | C79 | C78 | 54.9° | 61.2° |
| C75 | O26 | C79 | C80 | 176.2° | 178.9° |
| C75 | O26 | C79 | H78 | 65.6° | 58.8° |
| H74 | C75 | C76 | C77 | 60.2° | 62.4° |
| H74 | C75 | C76 | N9 | 62.4° | 57.5° |
| H74 | C75 | C76 | H75 | 178.5° | 177.7° |
| H74 | C75 | O26 | C79 | 58.2° | 58.8° |
| C77 | C76 | N9 | H75 | 120.2° | 120.1° |
| C76 | C77 | C78 | O24 | 118.3° | 119.9° |
| C76 | C77 | C78 | H76 | 120.2° | 119.8° |
| C76 | C77 | O24 | H76 | 120.7° | 120.2° |
| C76 | C77 | C78 | C79 | 48.4° | 57.0° |
| C76 | C77 | C78 | O25 | 169.6° | 176.9° |
| C76 | C77 | C78 | H77 | 71.4° | 62.9° |
| C77 | C76 | N9 | C81 | 142.2° | 155.3° |
| C77 | C76 | N9 | H84 | 37.8° | 24.6° |
| C76 | C77 | O24 | H85 | 180.0° | 180.0° |
| C77 | C76 | C75 | O13 | 180.0° | 177.6° |
| N9 | C76 | C77 | C78 | 175.2° | 176.9° |
| N9 | C76 | C77 | O24 | 66.6° | 63.3° |
| N9 | C76 | C77 | H76 | 55.1° | 57.0° |
| C76 | N9 | C81 | C82 | 2.6° | 180.0° |
| C76 | N9 | C81 | H84 | 180.0° | 179.9° |
| C76 | N9 | C81 | O28 | 177.8° | 0.0° |
| N9 | C76 | C75 | O13 | 57.4° | 62.5° |
| H75 | C76 | C77 | C78 | 64.1° | 63.0° |
| H75 | C76 | C77 | O24 | 54.0° | 56.9° |
| H75 | C76 | C77 | H76 | 175.7° | 177.2° |
| H75 | C76 | N9 | C81 | 22.0° | 35.1° |
| H75 | C76 | N9 | H84 | 158.0° | 144.8° |
| H75 | C76 | C75 | O13 | 61.7° | 57.7° |
| C78 | C77 | O24 | H76 | 120.5° | 120.2° |
| C77 | C78 | C79 | O25 | 120.8° | 119.9° |
| C77 | C78 | C79 | H77 | 119.9° | 119.9° |
| C77 | C78 | O25 | H77 | 118.1° | 120.2° |
| C77 | C78 | C79 | C80 | 168.1° | 177.6° |
| C77 | C78 | C79 | O26 | 48.0° | 57.6° |
| C77 | C78 | C79 | H78 | 73.5° | 62.4° |
| C78 | C77 | O24 | H85 | 61.2° | 60.5° |
| C77 | C78 | O25 | H86 | 180.0° | 180.0° |
| O24 | C77 | C78 | C79 | 166.7° | 176.9° |
| O24 | C77 | C78 | O25 | 72.2° | 63.3° |
| O24 | C77 | C78 | H77 | 46.8° | 57.0° |
| H76 | C77 | C78 | C79 | 71.8° | 62.9° |
| H76 | C77 | C78 | O25 | 49.3° | 57.0° |
| H76 | C77 | C78 | H77 | 168.3° | 177.2° |
| H76 | C77 | O24 | H85 | 59.3° | 59.8° |
| C79 | C78 | O25 | H77 | 118.4° | 120.2° |
| C78 | C79 | C80 | O26 | 122.4° | 119.9° |
| C78 | C79 | C80 | H78 | 118.4° | 120.0° |
| C78 | C79 | O26 | H78 | 120.5° | 120.0° |
| C78 | C79 | C80 | O27 | 175.7° | 175.0° |
| C78 | C79 | C80 | H79 | 64.3° | 55.1° |
| C78 | C79 | C80 | H80 | 55.7° | 65.0° |
| C79 | C78 | O25 | H86 | 56.4° | 60.3° |
| O25 | C78 | C79 | C80 | 71.1° | 62.5° |
| O25 | C78 | C79 | O26 | 168.7° | 177.5° |
| O25 | C78 | C79 | H78 | 47.3° | 57.5° |
| H77 | C78 | C79 | C80 | 48.3° | 57.7° |
| H77 | C78 | C79 | O26 | 71.9° | 62.3° |
| H77 | C78 | C79 | H78 | 166.7° | 177.7° |
| H77 | C78 | O25 | H86 | 61.9° | 59.8° |
| C80 | C79 | O26 | H78 | 118.2° | 120.0° |
| C79 | C80 | O27 | H79 | 120.0° | 119.9° |
| C79 | C80 | O27 | H80 | 120.0° | 120.0° |
| C79 | C80 | H79 | H80 | 120.0° | 120.0° |
| C79 | C80 | O27 | H87 | 180.0° | 180.0° |
| O26 | C79 | C80 | O27 | 53.3° | 65.1° |
| O26 | C79 | C80 | H79 | 173.4° | 175.0° |
| O26 | C79 | C80 | H80 | 66.7° | 54.9° |
| C79 | O26 | C75 | O13 | 179.3° | 178.9° |
| H78 | C79 | C80 | O27 | 65.9° | 55.0° |
| H78 | C79 | C80 | H79 | 54.1° | 64.9° |
| H78 | C79 | C80 | H80 | 174.1° | 175.0° |
| O27 | C80 | H79 | H80 | 120.0° | 120.1° |
| H79 | C80 | O27 | H87 | 60.0° | 60.1° |
| H80 | C80 | O27 | H87 | 60.0° | 60.0° |
| C82 | C81 | N9 | O28 | 179.7° | 180.0° |
| C81 | C82 | H81 | H82 | 120.0° | 120.0° |
| C81 | C82 | H81 | H83 | 120.0° | 120.0° |
| C81 | C82 | H82 | H83 | 120.0° | 120.0° |
| C82 | C81 | N9 | H84 | 177.5° | 0.1° |
| N9 | C81 | C82 | H81 | 179.7° | 60.0° |
| N9 | C81 | C82 | H82 | 59.7° | 180.0° |
| N9 | C81 | C82 | H83 | 60.3° | 60.0° |
| O28 | C81 | C82 | H81 | 0.0° | 120.0° |
| O28 | C81 | C82 | H82 | 120.0° | 0.0° |
| O28 | C81 | C82 | H83 | 120.0° | 120.0° |
| O28 | C81 | N9 | H84 | 2.2° | 179.9° |
| H81 | C82 | H82 | H83 | 120.0° | 120.0° |
| C84 | C83 | O32 | H88 | 126.0° | 119.9° |
| C84 | C83 | O32 | O15 | 109.8° | 120.0° |
| C84 | C83 | H88 | O15 | 115.2° | 120.1° |
| C83 | C84 | C85 | O29 | 119.9° | 119.9° |
| C83 | C84 | C85 | H89 | 118.5° | 119.8° |
| C83 | C84 | O29 | H89 | 120.2° | 120.1° |
| C83 | C84 | C85 | C86 | 59.8° | 57.0° |
| C83 | C84 | C85 | O30 | 179.8° | 176.9° |
| C83 | C84 | C85 | H90 | 58.8° | 62.8° |
| C84 | C83 | O32 | C87 | 60.1° | 61.2° |
| C83 | C84 | O29 | H95 | 180.0° | 60.0° |
| O32 | C83 | H88 | O15 | 119.5° | 120.0° |
| O32 | C83 | C84 | C85 | 60.1° | 57.6° |
| O32 | C83 | C84 | O29 | 60.6° | 62.3° |
| O32 | C83 | C84 | H89 | 178.5° | 177.5° |
| C83 | O32 | C87 | C86 | 57.6° | 61.1° |
| C83 | O32 | C87 | C88 | 179.7° | 178.9° |
| C83 | O32 | C87 | H92 | 61.2° | 58.9° |
| H88 | C83 | C84 | C85 | 173.2° | 177.6° |
| H88 | C83 | C84 | O29 | 66.2° | 57.7° |
| H88 | C83 | C84 | H89 | 54.8° | 62.5° |
| H88 | C83 | O32 | C87 | 173.9° | 178.9° |
| C85 | C84 | O29 | H89 | 120.8° | 120.2° |
| C84 | C85 | C86 | O30 | 120.7° | 119.9° |
| C84 | C85 | C86 | H90 | 118.6° | 119.8° |
| C84 | C85 | O30 | H90 | 120.3° | 120.2° |
| C84 | C85 | C86 | C87 | 58.2° | 57.0° |
| C84 | C85 | C86 | O31 | 179.9° | 176.9° |
| C84 | C85 | C86 | H91 | 59.9° | 62.9° |
| C85 | C84 | O29 | H95 | 61.0° | 179.7° |
| C84 | C85 | O30 | H96 | 180.0° | 60.0° |
| C85 | C84 | C83 | O15 | 51.5° | 62.3° |
| O29 | C84 | C85 | C86 | 60.1° | 62.9° |
| O29 | C84 | C85 | O30 | 60.2° | 57.0° |
| O29 | C84 | C85 | H90 | 178.7° | 177.3° |
| O29 | C84 | C83 | O15 | 172.1° | 177.7° |
| H89 | C84 | C85 | C86 | 178.3° | 176.8° |
| H89 | C84 | C85 | O30 | 61.3° | 63.3° |
| H89 | C84 | C85 | H90 | 59.7° | 57.0° |
| H89 | C84 | O29 | H95 | 59.8° | 60.1° |
| H89 | C84 | C83 | O15 | 66.9° | 57.5° |
| C86 | C85 | O30 | H90 | 119.9° | 120.2° |
| C85 | C86 | C87 | O31 | 121.2° | 119.9° |
| C85 | C86 | C87 | H91 | 118.2° | 119.9° |
| C85 | C86 | O31 | H91 | 119.4° | 120.2° |
| C85 | C86 | C87 | C88 | 178.6° | 177.6° |
| C85 | C86 | C87 | O32 | 56.2° | 57.6° |
| C85 | C86 | C87 | H92 | 63.3° | 62.4° |
| C86 | C85 | O30 | H96 | 60.2° | 179.6° |
| C85 | C86 | O31 | H97 | 180.0° | 60.0° |
| O30 | C85 | C86 | C87 | 178.9° | 176.9° |
| O30 | C85 | C86 | O31 | 59.4° | 63.2° |
| O30 | C85 | C86 | H91 | 60.8° | 57.0° |
| H90 | C85 | C86 | C87 | 60.4° | 62.8° |
| H90 | C85 | C86 | O31 | 61.3° | 57.1° |
| H90 | C85 | C86 | H91 | 178.5° | 177.3° |
| H90 | C85 | O30 | H96 | 59.7° | 60.2° |
| C87 | C86 | O31 | H91 | 119.7° | 120.1° |
| C86 | C87 | C88 | O32 | 122.6° | 120.0° |
| C86 | C87 | C88 | H92 | 118.1° | 120.0° |
| C86 | C87 | O32 | H92 | 118.8° | 120.0° |
| C86 | C87 | C88 | O33 | 61.1° | 175.0° |
| C86 | C87 | C88 | H93 | 58.8° | 55.0° |
| C86 | C87 | C88 | H94 | 178.9° | 65.0° |
| C87 | C86 | O31 | H97 | 59.1° | 179.7° |
| O31 | C86 | C87 | C88 | 60.1° | 62.5° |
| O31 | C86 | C87 | O32 | 177.5° | 177.5° |
| O31 | C86 | C87 | H92 | 58.0° | 57.5° |
| H91 | C86 | C87 | C88 | 60.4° | 57.7° |
| H91 | C86 | C87 | O32 | 61.9° | 62.3° |
| H91 | C86 | C87 | H92 | 178.6° | 177.7° |
| H91 | C86 | O31 | H97 | 60.6° | 60.2° |
| C88 | C87 | O32 | H92 | 118.5° | 120.0° |
| C87 | C88 | O33 | H93 | 119.9° | 120.0° |
| C87 | C88 | O33 | H94 | 120.0° | 120.0° |
| C87 | C88 | H93 | H94 | 120.1° | 120.0° |
| C87 | C88 | O33 | H98 | 180.0° | 180.0° |
| O32 | C87 | C88 | O33 | 176.3° | 65.0° |
| O32 | C87 | C88 | H93 | 63.8° | 175.0° |
| O32 | C87 | C88 | H94 | 56.3° | 55.0° |
| C87 | O32 | C83 | O15 | 49.8° | 58.8° |
| H92 | C87 | C88 | O33 | 57.0° | 55.0° |
| H92 | C87 | C88 | H93 | 177.0° | 65.0° |
| H92 | C87 | C88 | H94 | 62.9° | 175.0° |
| O33 | C88 | H93 | H94 | 120.1° | 120.0° |
| H93 | C88 | O33 | H98 | 60.1° | 60.0° |
| H94 | C88 | O33 | H98 | 60.0° | 60.0° |
