PRD_002089
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.49Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.50Å | 1.53Å | |
| C1 | C3 | sing | 1.50Å | 1.48Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.24Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | O2 | sing | 1.36Å | 1.37Å | |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| O2 | H5 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| O3 | C9 | sing | 1.38Å | 1.38Å | |
| C9 | C10 | sing | 1.38Å | 1.46Å | Aromatic |
| C9 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | CL1 | sing | 1.74Å | 1.76Å | |
| C11 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.50Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.50Å | 1.53Å | |
| C16 | N2 | sing | 1.47Å | 1.48Å | |
| C17 | O4 | doub | 1.21Å | 1.24Å | |
| 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 | 1.09Å | 1.10Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| N3 | C24 | sing | 1.47Å | 1.51Å | |
| O5 | C18 | sing | 1.35Å | 1.37Å | |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | O6 | sing | 1.36Å | 1.33Å | |
| C21 | C22 | doub | 1.39Å | 1.37Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| C24 | C25 | sing | 1.48Å | 1.49Å | |
| C25 | O7 | doub | 1.23Å | 1.20Å | |
| N3 | H15 | sing | 0.98Å | 1.00Å | |
| C24 | H16 | sing | 1.10Å | 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 | 1.46Å | |
| N4 | H21 | sing | 0.99Å | 1.00Å | |
| C26 | C27 | sing | 1.50Å | 1.50Å | |
| C26 | C28 | sing | 1.51Å | 1.50Å | |
| C26 | H22 | sing | 1.12Å | 1.10Å | |
| C27 | O8 | doub | 1.22Å | 1.24Å | |
| C28 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C31 | O9 | sing | 1.36Å | 1.35Å | |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.42Å | Aromatic |
| C33 | H24 | sing | 1.08Å | 1.08Å | |
| N5 | C34 | sing | 1.44Å | 1.49Å | |
| N5 | H25 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | C36 | sing | 1.51Å | 1.49Å | |
| C34 | H26 | sing | 1.08Å | 1.10Å | |
| C35 | O10 | doub | 1.21Å | 1.25Å | |
| C36 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C38 | C39 | doub | 1.41Å | 1.38Å | Aromatic |
| C39 | O11 | sing | 1.36Å | 1.35Å | |
| C39 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
| O11 | H28 | sing | 0.97Å | 0.95Å | |
| C40 | C41 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | H29 | sing | 1.08Å | 1.08Å | |
| C41 | H30 | sing | 1.08Å | 1.08Å | |
| N6 | C42 | sing | 1.45Å | 1.49Å | |
| O12 | C45 | sing | 1.38Å | 1.38Å | |
| C45 | C43 | sing | 1.39Å | 1.39Å | Aromatic |
| C45 | C44 | doub | 1.38Å | 1.48Å | Aromatic |
| C43 | C47 | doub | 1.38Å | 1.41Å | Aromatic |
| C47 | C46 | sing | 1.38Å | 1.40Å | Aromatic |
| C46 | C48 | doub | 1.39Å | 1.39Å | Aromatic |
| C46 | C49 | sing | 1.51Å | 1.49Å | |
| C48 | C44 | sing | 1.39Å | 1.37Å | Aromatic |
| C44 | CL2 | sing | 1.74Å | 1.78Å | |
| C50 | O13 | doub | 1.21Å | 1.25Å | |
| C50 | C42 | sing | 1.51Å | 1.53Å | |
| C42 | C49 | sing | 1.53Å | 1.55Å | |
| C49 | O14 | sing | 1.43Å | 1.41Å | |
| N6 | H31 | sing | 0.98Å | 1.00Å | |
| C42 | H32 | sing | 1.10Å | 1.10Å | |
| C43 | H33 | sing | 1.08Å | 1.08Å | |
| C47 | H34 | sing | 1.08Å | 1.08Å | |
| C48 | H35 | sing | 1.08Å | 1.08Å | |
| C49 | H36 | sing | 1.09Å | 1.10Å | |
| N7 | C57 | sing | 1.44Å | 1.46Å | |
| O15 | C51 | sing | 1.36Å | 1.35Å | |
| C51 | C52 | sing | 1.40Å | 1.38Å | Aromatic |
| C51 | C53 | doub | 1.38Å | 1.40Å | Aromatic |
| C52 | C56 | doub | 1.40Å | 1.40Å | Aromatic |
| C53 | C54 | sing | 1.39Å | 1.39Å | Aromatic |
| C54 | O16 | sing | 1.36Å | 1.36Å | |
| C54 | C55 | doub | 1.38Å | 1.38Å | Aromatic |
| C55 | C56 | sing | 1.40Å | 1.40Å | Aromatic |
| C56 | C57 | sing | 1.49Å | 1.47Å | |
| C57 | C58 | sing | 1.51Å | 1.52Å | |
| C58 | O17 | doub | 1.21Å | 1.22Å | |
| C58 | O18 | sing | 1.34Å | 1.22Å | |
| N7 | H37 | sing | 0.99Å | 1.00Å | |
| C57 | H38 | sing | 1.12Å | 1.10Å | |
| C53 | H39 | sing | 1.08Å | 1.08Å | |
| O16 | H40 | sing | 0.97Å | 0.95Å | |
| C55 | H41 | sing | 1.08Å | 1.08Å | |
| O18 | H42 | sing | 0.97Å | 0.95Å | |
| C59 | C60 | sing | 1.53Å | 1.54Å | |
| C59 | O21 | sing | 1.43Å | 1.42Å | |
| C59 | H43 | sing | 1.09Å | 1.10Å | |
| C60 | C61 | sing | 1.53Å | 1.53Å | |
| C60 | N8 | sing | 1.46Å | 1.45Å | |
| C60 | H44 | sing | 1.09Å | 1.10Å | |
| C61 | C62 | sing | 1.53Å | 1.51Å | |
| C61 | O19 | sing | 1.43Å | 1.43Å | |
| C61 | H45 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | sing | 1.53Å | 1.54Å | |
| C62 | O20 | sing | 1.43Å | 1.42Å | |
| C62 | H46 | sing | 1.09Å | 1.10Å | |
| C63 | C64 | sing | 1.53Å | 1.53Å | |
| C63 | O21 | sing | 1.43Å | 1.43Å | |
| C63 | H47 | sing | 1.09Å | 1.10Å | |
| C64 | O22 | sing | 1.43Å | 1.43Å | |
| C64 | H48 | sing | 1.09Å | 1.10Å | |
| C64 | H49 | sing | 1.09Å | 1.10Å | |
| N8 | H50 | sing | 0.97Å | 1.00Å | |
| O19 | H51 | sing | 0.97Å | 0.95Å | |
| O20 | H52 | sing | 0.97Å | 0.95Å | |
| O22 | H53 | sing | 0.97Å | 0.95Å | |
| C72 | C74 | sing | 1.51Å | 1.49Å | |
| C72 | C71 | sing | 1.53Å | 1.51Å | |
| C74 | O23 | doub | 1.21Å | 1.20Å | |
| C71 | C70 | sing | 1.53Å | 1.51Å | |
| C70 | C69 | sing | 1.53Å | 1.52Å | |
| C69 | C68 | sing | 1.53Å | 1.51Å | |
| C68 | C67 | sing | 1.53Å | 1.52Å | |
| C67 | C66 | sing | 1.53Å | 1.51Å | |
| C66 | C65 | sing | 1.53Å | 1.52Å | |
| C66 | C73 | sing | 1.53Å | 1.53Å | |
| C72 | H54 | sing | 1.09Å | 1.10Å | |
| C72 | H55 | sing | 1.09Å | 1.10Å | |
| C71 | H56 | sing | 1.09Å | 1.10Å | |
| C71 | H57 | sing | 1.09Å | 1.10Å | |
| C70 | H58 | sing | 1.09Å | 1.10Å | |
| C70 | H59 | sing | 1.09Å | 1.10Å | |
| C69 | H60 | sing | 1.09Å | 1.10Å | |
| C69 | H61 | sing | 1.09Å | 1.10Å | |
| C68 | H62 | sing | 1.09Å | 1.10Å | |
| C68 | H63 | sing | 1.09Å | 1.10Å | |
| C67 | H64 | sing | 1.09Å | 1.10Å | |
| C67 | H65 | sing | 1.09Å | 1.10Å | |
| C66 | H66 | sing | 1.09Å | 1.10Å | |
| C65 | H67 | sing | 1.09Å | 1.10Å | |
| C65 | H68 | sing | 1.09Å | 1.10Å | |
| C65 | H69 | sing | 1.09Å | 1.10Å | |
| C73 | H70 | sing | 1.09Å | 1.10Å | |
| C73 | H71 | sing | 1.09Å | 1.10Å | |
| C73 | H72 | sing | 1.09Å | 1.10Å | |
| C75 | C76 | sing | 1.53Å | 1.52Å | |
| C75 | O26 | sing | 1.43Å | 1.41Å | |
| C75 | H73 | sing | 1.09Å | 1.10Å | |
| C76 | C77 | sing | 1.53Å | 1.51Å | |
| C76 | N9 | sing | 1.46Å | 1.44Å | |
| C76 | H74 | sing | 1.09Å | 1.10Å | |
| C77 | C78 | sing | 1.53Å | 1.52Å | |
| C77 | O24 | sing | 1.43Å | 1.40Å | |
| C77 | H75 | sing | 1.09Å | 1.10Å | |
| C78 | C79 | sing | 1.53Å | 1.53Å | |
| C78 | O25 | sing | 1.43Å | 1.39Å | |
| C78 | H76 | sing | 1.09Å | 1.10Å | |
| C79 | C80 | sing | 1.53Å | 1.52Å | |
| C79 | O26 | sing | 1.43Å | 1.41Å | |
| C79 | H77 | sing | 1.09Å | 1.10Å | |
| C80 | O27 | sing | 1.43Å | 1.42Å | |
| C80 | H78 | sing | 1.09Å | 1.10Å | |
| C80 | H79 | sing | 1.09Å | 1.10Å | |
| C81 | C82 | sing | 1.51Å | 1.50Å | |
| C81 | N9 | sing | 1.35Å | 1.35Å | |
| C81 | O28 | doub | 1.21Å | 1.22Å | |
| C82 | H80 | sing | 1.09Å | 1.10Å | |
| C82 | H81 | sing | 1.09Å | 1.10Å | |
| C82 | H82 | sing | 1.09Å | 1.10Å | |
| N9 | H83 | sing | 0.97Å | 1.00Å | |
| O24 | H84 | sing | 0.97Å | 0.95Å | |
| O25 | H85 | sing | 0.97Å | 0.95Å | |
| O27 | H86 | sing | 0.97Å | 0.95Å | |
| C83 | C84 | sing | 1.53Å | 1.54Å | |
| C83 | O32 | sing | 1.43Å | 1.40Å | |
| C83 | H87 | sing | 1.09Å | 1.10Å | |
| C84 | C85 | sing | 1.53Å | 1.52Å | |
| C84 | O29 | sing | 1.43Å | 1.40Å | |
| C84 | H88 | sing | 1.09Å | 1.10Å | |
| C85 | C86 | sing | 1.53Å | 1.53Å | |
| C85 | O30 | sing | 1.43Å | 1.44Å | |
| C85 | H89 | sing | 1.09Å | 1.10Å | |
| C86 | C87 | sing | 1.53Å | 1.52Å | |
| C86 | O31 | sing | 1.43Å | 1.40Å | |
| C86 | H90 | sing | 1.09Å | 1.10Å | |
| C87 | C88 | sing | 1.53Å | 1.53Å | |
| C87 | O32 | sing | 1.43Å | 1.40Å | |
| C87 | H91 | sing | 1.09Å | 1.10Å | |
| C88 | O33 | sing | 1.43Å | 1.38Å | |
| C88 | H92 | sing | 1.09Å | 1.10Å | |
| C88 | H93 | sing | 1.09Å | 1.10Å | |
| O29 | H94 | sing | 0.97Å | 0.95Å | |
| O30 | H95 | sing | 0.97Å | 0.95Å | |
| O31 | H96 | sing | 0.97Å | 0.95Å | |
| O33 | H97 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.34Å | 1.34Å | |
| C5 | O5 | sing | 1.35Å | 1.37Å | |
| O3 | C30 | sing | 1.38Å | 1.43Å | |
| C17 | N3 | sing | 1.34Å | 1.33Å | |
| C25 | N4 | sing | 1.31Å | 1.34Å | |
| C27 | N5 | sing | 1.34Å | 1.33Å | |
| C32 | O12 | sing | 1.38Å | 1.40Å | |
| C35 | N6 | sing | 1.33Å | 1.35Å | |
| C38 | C52 | sing | 1.48Å | 1.43Å | |
| C50 | N7 | sing | 1.34Å | 1.32Å | |
| O9 | C59 | sing | 1.43Å | 1.41Å | |
| O14 | C75 | sing | 1.43Å | 1.43Å | |
| O15 | C83 | sing | 1.43Å | 1.43Å | |
| N8 | C74 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.4° | 111.0° |
| N1 | C1 | C2 | 103.6° | 109.3° |
| N1 | C1 | C3 | 106.2° | 109.2° |
| N1 | C1 | H3 | 110.6° | 108.9° |
| H1 | N1 | H2 | 109.4° | 111.1° |
| C2 | C1 | C3 | 115.4° | 111.0° |
| C2 | C1 | H3 | 110.1° | 109.3° |
| C1 | C2 | O1 | 120.1° | 119.0° |
| C1 | C2 | N2 | 117.4° | 121.8° |
| C3 | C1 | H3 | 110.7° | 109.1° |
| C1 | C3 | C4 | 120.1° | 120.8° |
| C1 | C3 | C8 | 121.4° | 119.5° |
| O1 | C2 | N2 | 122.4° | 119.2° |
| C4 | C3 | C8 | 118.5° | 119.7° |
| C3 | C4 | C5 | 120.9° | 120.4° |
| C3 | C4 | H4 | 119.5° | 119.9° |
| C3 | C8 | C7 | 120.8° | 120.2° |
| C3 | C8 | H7 | 119.6° | 119.9° |
| C5 | C4 | H4 | 119.5° | 119.7° |
| C4 | C5 | C6 | 120.1° | 119.7° |
| C4 | C5 | O5 | 126.4° | 120.9° |
| C5 | C6 | O2 | 120.5° | 120.0° |
| C5 | C6 | C7 | 119.3° | 119.9° |
| C6 | C5 | O5 | 113.5° | 119.4° |
| O2 | C6 | C7 | 120.2° | 120.1° |
| C6 | O2 | H5 | 109.5° | 114.0° |
| C6 | C7 | C8 | 120.4° | 120.1° |
| C6 | C7 | H6 | 119.8° | 120.0° |
| C8 | C7 | H6 | 119.8° | 119.9° |
| C7 | C8 | H7 | 119.6° | 119.9° |
| O3 | C9 | C10 | 119.9° | 123.5° |
| O3 | C9 | C12 | 124.4° | 116.7° |
| C9 | O3 | C30 | 107.2° | 103.4° |
| C10 | C9 | C12 | 115.7° | 119.8° |
| C9 | C10 | C11 | 123.1° | 119.4° |
| C9 | C10 | CL1 | 116.1° | 120.4° |
| C9 | C12 | C13 | 121.2° | 119.9° |
| C9 | C12 | H8 | 119.4° | 120.2° |
| C11 | C10 | CL1 | 120.8° | 120.2° |
| C10 | C11 | C14 | 119.0° | 120.3° |
| C10 | C11 | H9 | 120.5° | 119.5° |
| C11 | C14 | C13 | 119.2° | 119.8° |
| C11 | C14 | C15 | 120.2° | 120.8° |
| C14 | C11 | H9 | 120.5° | 120.2° |
| C12 | C13 | C14 | 121.7° | 119.9° |
| C13 | C12 | H8 | 119.4° | 119.9° |
| C12 | C13 | H10 | 119.1° | 120.2° |
| C13 | C14 | C15 | 120.6° | 119.3° |
| C14 | C13 | H10 | 119.1° | 119.9° |
| C14 | C15 | C16 | 110.1° | 109.6° |
| C14 | C15 | H11 | 109.3° | 109.2° |
| C14 | C15 | H12 | 109.3° | 110.1° |
| C15 | C16 | C17 | 111.7° | 112.3° |
| C15 | C16 | N2 | 111.3° | 107.5° |
| C16 | C15 | H11 | 109.3° | 109.2° |
| C16 | C15 | H12 | 109.4° | 109.9° |
| C15 | C16 | H13 | 106.3° | 108.7° |
| C17 | C16 | N2 | 113.5° | 109.4° |
| C16 | C17 | O4 | 119.2° | 119.0° |
| C17 | C16 | H13 | 106.5° | 109.1° |
| C16 | C17 | N3 | 118.9° | 123.2° |
| N2 | C16 | H13 | 107.1° | 109.6° |
| C16 | N2 | H14 | 119.1° | 119.0° |
| C16 | N2 | C2 | 121.9° | 121.9° |
| O4 | C17 | N3 | 121.9° | 117.8° |
| H11 | C15 | H12 | 109.5° | 108.8° |
| H14 | N2 | C2 | 119.1° | 119.2° |
| N3 | C24 | C23 | 110.7° | 107.9° |
| N3 | C24 | C25 | 116.0° | 114.0° |
| C24 | N3 | H15 | 118.8° | 119.1° |
| N3 | C24 | H16 | 105.8° | 107.7° |
| C24 | N3 | C17 | 122.4° | 122.9° |
| O5 | C18 | C19 | 123.2° | 119.6° |
| O5 | C18 | C20 | 116.6° | 120.7° |
| C18 | O5 | C5 | 115.9° | 120.9° |
| C19 | C18 | C20 | 120.2° | 119.7° |
| C18 | C19 | C23 | 120.4° | 120.4° |
| C18 | C19 | H17 | 119.8° | 118.9° |
| C18 | C20 | C21 | 118.2° | 119.8° |
| C18 | C20 | H18 | 120.9° | 119.9° |
| C19 | C23 | C22 | 119.4° | 120.1° |
| C19 | C23 | C24 | 121.3° | 120.0° |
| C23 | C19 | H17 | 119.8° | 120.7° |
| C20 | C21 | O6 | 119.4° | 119.8° |
| C20 | C21 | C22 | 122.0° | 120.2° |
| C21 | C20 | H18 | 120.9° | 120.2° |
| O6 | C21 | C22 | 118.6° | 119.9° |
| C21 | O6 | H19 | 109.5° | 114.0° |
| C21 | C22 | C23 | 119.7° | 119.8° |
| C21 | C22 | H20 | 120.1° | 120.0° |
| C22 | C23 | C24 | 119.2° | 120.0° |
| C23 | C22 | H20 | 120.1° | 120.1° |
| C23 | C24 | C25 | 111.5° | 110.4° |
| C23 | C24 | H16 | 106.0° | 107.4° |
| C24 | C25 | O7 | 118.3° | 115.2° |
| C25 | C24 | H16 | 106.0° | 109.3° |
| C24 | C25 | N4 | 119.5° | 130.8° |
| O7 | C25 | N4 | 122.2° | 113.9° |
| H15 | N3 | C17 | 118.8° | 118.0° |
| C26 | N4 | H21 | 118.7° | 116.1° |
| N4 | C26 | C27 | 110.8° | 114.5° |
| N4 | C26 | C28 | 113.4° | 113.6° |
| N4 | C26 | H22 | 107.6° | 107.1° |
| C26 | N4 | C25 | 122.5° | 128.4° |
| H21 | N4 | C25 | 118.8° | 115.5° |
| C27 | C26 | C28 | 110.4° | 110.1° |
| C27 | C26 | H22 | 107.2° | 105.3° |
| C26 | C27 | O8 | 120.9° | 118.9° |
| C26 | C27 | N5 | 116.5° | 122.6° |
| C28 | C26 | H22 | 107.1° | 105.4° |
| C26 | C28 | C29 | 121.0° | 120.7° |
| C26 | C28 | C33 | 120.8° | 120.9° |
| O8 | C27 | N5 | 122.6° | 118.5° |
| C29 | C28 | C33 | 118.2° | 118.4° |
| C28 | C29 | C30 | 121.9° | 120.9° |
| C28 | C29 | H23 | 119.0° | 119.7° |
| C28 | C33 | C32 | 122.6° | 120.0° |
| C28 | C33 | H24 | 118.7° | 120.1° |
| C30 | C29 | H23 | 119.0° | 119.4° |
| C29 | C30 | C31 | 117.8° | 121.1° |
| C29 | C30 | O3 | 127.1° | 116.4° |
| C30 | C31 | O9 | 119.7° | 121.5° |
| C30 | C31 | C32 | 121.9° | 117.2° |
| C31 | C30 | O3 | 115.1° | 122.5° |
| O9 | C31 | C32 | 118.3° | 121.3° |
| C31 | O9 | C59 | 115.9° | 117.0° |
| C31 | C32 | C33 | 117.5° | 122.2° |
| C31 | C32 | O12 | 115.7° | 121.6° |
| C32 | C33 | H24 | 118.7° | 119.9° |
| C33 | C32 | O12 | 126.7° | 116.1° |
| C34 | N5 | H25 | 119.7° | 118.7° |
| N5 | C34 | C35 | 108.6° | 108.5° |
| N5 | C34 | C36 | 117.6° | 114.4° |
| N5 | C34 | H26 | 108.0° | 112.3° |
| C34 | N5 | C27 | 120.7° | 123.1° |
| H25 | N5 | C27 | 119.6° | 118.1° |
| C35 | C34 | C36 | 106.6° | 101.9° |
| C35 | C34 | H26 | 107.6° | 108.9° |
| C34 | C35 | O10 | 120.2° | 119.5° |
| C34 | C35 | N6 | 117.8° | 116.2° |
| C36 | C34 | H26 | 108.0° | 110.1° |
| C34 | C36 | C37 | 121.5° | 119.5° |
| C34 | C36 | C41 | 121.4° | 120.3° |
| O10 | C35 | N6 | 122.0° | 124.3° |
| C37 | C36 | C41 | 117.0° | 120.2° |
| C36 | C37 | C38 | 122.5° | 121.1° |
| C36 | C37 | H27 | 118.8° | 119.2° |
| C36 | C41 | C40 | 121.4° | 119.7° |
| C36 | C41 | H30 | 119.3° | 120.4° |
| C38 | C37 | H27 | 118.7° | 119.6° |
| C37 | C38 | C39 | 119.2° | 118.2° |
| C37 | C38 | C52 | 116.9° | 125.4° |
| C38 | C39 | O11 | 118.7° | 120.8° |
| C38 | C39 | C40 | 120.2° | 120.2° |
| C39 | C38 | C52 | 123.9° | 116.4° |
| O11 | C39 | C40 | 121.1° | 119.0° |
| C39 | O11 | H28 | 109.5° | 114.0° |
| C39 | C40 | C41 | 119.7° | 120.3° |
| C39 | C40 | H29 | 120.1° | 119.8° |
| C41 | C40 | H29 | 120.2° | 119.8° |
| C40 | C41 | H30 | 119.3° | 119.9° |
| N6 | C42 | C50 | 107.0° | 108.5° |
| N6 | C42 | C49 | 110.5° | 113.3° |
| C42 | N6 | H31 | 117.6° | 115.8° |
| N6 | C42 | H32 | 107.6° | 108.7° |
| C42 | N6 | C35 | 124.9° | 128.1° |
| O12 | C45 | C43 | 120.8° | 116.9° |
| O12 | C45 | C44 | 122.3° | 123.1° |
| C45 | O12 | C32 | 111.8° | 104.5° |
| C43 | C45 | C44 | 116.9° | 120.0° |
| C45 | C43 | C47 | 119.8° | 120.2° |
| C45 | C43 | H33 | 120.1° | 120.1° |
| C45 | C44 | C48 | 121.6° | 119.4° |
| C45 | C44 | CL2 | 122.8° | 120.3° |
| C43 | C47 | C46 | 122.2° | 119.7° |
| C47 | C43 | H33 | 120.1° | 119.7° |
| C43 | C47 | H34 | 118.9° | 119.5° |
| C47 | C46 | C48 | 119.5° | 119.9° |
| C47 | C46 | C49 | 123.4° | 120.4° |
| C46 | C47 | H34 | 118.9° | 120.8° |
| C48 | C46 | C49 | 116.8° | 119.7° |
| C46 | C48 | C44 | 120.0° | 120.5° |
| C46 | C48 | H35 | 120.0° | 119.7° |
| C46 | C49 | C42 | 104.2° | 109.1° |
| C46 | C49 | O14 | 111.8° | 109.9° |
| C46 | C49 | H36 | 111.3° | 108.6° |
| C48 | C44 | CL2 | 115.6° | 120.4° |
| C44 | C48 | H35 | 120.0° | 119.8° |
| O13 | C50 | C42 | 121.9° | 115.9° |
| O13 | C50 | N7 | 121.3° | 121.9° |
| C50 | C42 | C49 | 117.2° | 110.8° |
| C50 | C42 | H32 | 107.2° | 107.6° |
| C42 | C50 | N7 | 116.5° | 122.1° |
| C42 | C49 | O14 | 106.0° | 110.6° |
| C49 | C42 | H32 | 107.0° | 107.7° |
| C42 | C49 | H36 | 110.5° | 109.3° |
| O14 | C49 | H36 | 112.6° | 109.2° |
| C49 | O14 | C75 | 107.5° | 114.0° |
| H31 | N6 | C35 | 117.5° | 116.0° |
| N7 | C57 | C56 | 110.8° | 121.8° |
| N7 | C57 | C58 | 109.2° | 110.4° |
| C57 | N7 | H37 | 119.7° | 117.2° |
| N7 | C57 | H38 | 109.1° | 105.1° |
| C57 | N7 | C50 | 120.7° | 126.6° |
| O15 | C51 | C52 | 116.2° | 119.8° |
| O15 | C51 | C53 | 123.1° | 117.8° |
| C51 | O15 | C83 | 120.3° | 117.0° |
| C52 | C51 | C53 | 120.7° | 122.4° |
| C51 | C52 | C56 | 119.2° | 118.7° |
| C51 | C52 | C38 | 122.3° | 115.9° |
| C51 | C53 | C54 | 119.6° | 118.9° |
| C51 | C53 | H39 | 120.2° | 120.4° |
| C52 | C56 | C55 | 120.3° | 118.0° |
| C52 | C56 | C57 | 120.8° | 128.6° |
| C56 | C52 | C38 | 118.4° | 125.4° |
| C53 | C54 | O16 | 120.2° | 120.4° |
| C53 | C54 | C55 | 120.6° | 119.4° |
| C54 | C53 | H39 | 120.2° | 120.7° |
| O16 | C54 | C55 | 119.2° | 120.2° |
| C54 | O16 | H40 | 109.5° | 114.0° |
| C54 | C55 | C56 | 119.6° | 122.6° |
| C54 | C55 | H41 | 120.2° | 117.9° |
| C55 | C56 | C57 | 118.9° | 113.4° |
| C56 | C55 | H41 | 120.2° | 119.5° |
| C56 | C57 | C58 | 110.4° | 108.8° |
| C56 | C57 | H38 | 108.9° | 104.7° |
| C57 | C58 | O17 | 118.7° | 120.0° |
| C57 | C58 | O18 | 121.8° | 120.0° |
| C58 | C57 | H38 | 108.3° | 104.5° |
| O17 | C58 | O18 | 119.5° | 120.0° |
| C58 | O18 | H42 | 109.5° | 117.0° |
| H37 | N7 | C50 | 119.6° | 116.1° |
| C60 | C59 | O21 | 107.7° | 109.4° |
| C60 | C59 | H43 | 109.8° | 109.5° |
| C59 | C60 | C61 | 110.3° | 109.2° |
| C59 | C60 | N8 | 110.7° | 109.5° |
| C59 | C60 | H44 | 108.5° | 109.6° |
| C60 | C59 | O9 | 105.6° | 109.5° |
| O21 | C59 | H43 | 111.5° | 109.5° |
| C59 | O21 | C63 | 109.5° | 114.1° |
| O21 | C59 | O9 | 110.3° | 109.5° |
| H43 | C59 | O9 | 111.7° | 109.5° |
| C61 | C60 | N8 | 109.2° | 109.5° |
| C61 | C60 | H44 | 108.5° | 109.5° |
| C60 | C61 | C62 | 108.0° | 109.0° |
| C60 | C61 | O19 | 109.7° | 109.5° |
| C60 | C61 | H45 | 109.0° | 109.5° |
| N8 | C60 | H44 | 109.6° | 109.6° |
| C60 | N8 | H50 | 118.1° | 120.1° |
| C60 | N8 | C74 | 123.7° | 119.9° |
| C62 | C61 | O19 | 110.4° | 109.6° |
| C62 | C61 | H45 | 109.3° | 109.5° |
| C61 | C62 | C63 | 109.6° | 109.2° |
| C61 | C62 | O20 | 105.8° | 109.5° |
| C61 | C62 | H46 | 109.7° | 109.5° |
| O19 | C61 | H45 | 110.4° | 109.7° |
| C61 | O19 | H51 | 109.5° | 114.0° |
| C63 | C62 | O20 | 111.3° | 109.5° |
| C63 | C62 | H46 | 109.4° | 109.5° |
| C62 | C63 | C64 | 114.4° | 109.5° |
| C62 | C63 | O21 | 107.7° | 109.4° |
| C62 | C63 | H47 | 108.1° | 109.5° |
| O20 | C62 | H46 | 111.0° | 109.6° |
| C62 | O20 | H52 | 109.5° | 114.0° |
| C64 | C63 | O21 | 108.9° | 109.5° |
| C64 | C63 | H47 | 108.1° | 109.4° |
| C63 | C64 | O22 | 107.6° | 109.5° |
| C63 | C64 | H48 | 109.9° | 109.5° |
| C63 | C64 | H49 | 109.9° | 109.4° |
| O21 | C63 | H47 | 109.6° | 109.5° |
| O22 | C64 | H48 | 109.9° | 109.5° |
| O22 | C64 | H49 | 109.9° | 109.5° |
| C64 | O22 | H53 | 109.5° | 114.0° |
| H48 | C64 | H49 | 109.5° | 109.5° |
| H50 | N8 | C74 | 118.2° | 120.0° |
| C74 | C72 | C71 | 107.8° | 109.5° |
| C72 | C74 | O23 | 119.8° | 120.0° |
| C74 | C72 | H54 | 109.9° | 109.5° |
| C74 | C72 | H55 | 109.9° | 109.5° |
| C72 | C74 | N8 | 117.5° | 120.0° |
| C72 | C71 | C70 | 112.4° | 109.5° |
| C71 | C72 | H54 | 109.9° | 109.4° |
| C71 | C72 | H55 | 109.9° | 109.5° |
| C72 | C71 | H56 | 108.7° | 109.4° |
| C72 | C71 | H57 | 108.8° | 109.5° |
| O23 | C74 | N8 | 122.7° | 120.0° |
| C71 | C70 | C69 | 108.3° | 109.4° |
| C70 | C71 | H56 | 108.8° | 109.5° |
| C70 | C71 | H57 | 108.7° | 109.5° |
| C71 | C70 | H58 | 109.7° | 109.5° |
| C71 | C70 | H59 | 109.8° | 109.5° |
| C70 | C69 | C68 | 110.7° | 109.4° |
| C69 | C70 | H58 | 109.8° | 109.5° |
| C69 | C70 | H59 | 109.8° | 109.4° |
| C70 | C69 | H60 | 109.2° | 109.5° |
| C70 | C69 | H61 | 109.2° | 109.4° |
| C69 | C68 | C67 | 110.9° | 109.5° |
| C68 | C69 | H60 | 109.2° | 109.5° |
| C68 | C69 | H61 | 109.2° | 109.5° |
| C69 | C68 | H62 | 109.1° | 109.5° |
| C69 | C68 | H63 | 109.1° | 109.5° |
| C68 | C67 | C66 | 111.5° | 109.5° |
| C67 | C68 | H62 | 109.1° | 109.4° |
| C67 | C68 | H63 | 109.1° | 109.5° |
| C68 | C67 | H64 | 109.0° | 109.4° |
| C68 | C67 | H65 | 109.0° | 109.5° |
| C67 | C66 | C65 | 106.6° | 109.5° |
| C67 | C66 | C73 | 113.2° | 109.5° |
| C66 | C67 | H64 | 108.9° | 109.5° |
| C66 | C67 | H65 | 108.9° | 109.5° |
| C67 | C66 | H66 | 108.5° | 109.5° |
| C65 | C66 | C73 | 111.6° | 109.5° |
| C65 | C66 | H66 | 108.4° | 109.4° |
| C66 | C65 | H67 | 109.5° | 109.5° |
| C66 | C65 | H68 | 109.5° | 109.5° |
| C66 | C65 | H69 | 109.5° | 109.5° |
| C73 | C66 | H66 | 108.4° | 109.5° |
| C66 | C73 | H70 | 109.5° | 109.4° |
| C66 | C73 | H71 | 109.4° | 109.5° |
| C66 | C73 | H72 | 109.5° | 109.4° |
| H54 | C72 | H55 | 109.5° | 109.4° |
| H56 | C71 | H57 | 109.4° | 109.5° |
| H58 | C70 | H59 | 109.5° | 109.5° |
| H60 | C69 | H61 | 109.5° | 109.5° |
| H62 | C68 | H63 | 109.5° | 109.5° |
| H64 | C67 | H65 | 109.4° | 109.5° |
| H67 | C65 | H68 | 109.4° | 109.5° |
| H67 | C65 | H69 | 109.5° | 109.5° |
| H68 | C65 | H69 | 109.4° | 109.5° |
| H70 | C73 | H71 | 109.5° | 109.5° |
| H70 | C73 | H72 | 109.4° | 109.5° |
| H71 | C73 | H72 | 109.5° | 109.5° |
| C76 | C75 | O26 | 110.1° | 109.4° |
| C76 | C75 | H73 | 108.7° | 109.5° |
| C75 | C76 | C77 | 110.5° | 109.1° |
| C75 | C76 | N9 | 114.2° | 109.5° |
| C75 | C76 | H74 | 106.5° | 109.5° |
| C76 | C75 | O14 | 109.6° | 109.5° |
| O26 | C75 | H73 | 110.1° | 109.5° |
| C75 | O26 | C79 | 110.9° | 114.1° |
| O26 | C75 | O14 | 108.5° | 109.5° |
| H73 | C75 | O14 | 109.8° | 109.5° |
| C77 | C76 | N9 | 111.2° | 109.6° |
| C77 | C76 | H74 | 106.6° | 109.5° |
| C76 | C77 | C78 | 108.5° | 109.1° |
| C76 | C77 | O24 | 106.2° | 109.5° |
| C76 | C77 | H75 | 110.3° | 109.6° |
| N9 | C76 | H74 | 107.4° | 109.6° |
| C76 | N9 | C81 | 123.8° | 120.0° |
| C76 | N9 | H83 | 118.1° | 120.0° |
| C78 | C77 | O24 | 109.7° | 109.5° |
| C78 | C77 | H75 | 110.1° | 109.5° |
| C77 | C78 | C79 | 111.1° | 109.1° |
| C77 | C78 | O25 | 105.7° | 109.5° |
| C77 | C78 | H76 | 109.7° | 109.5° |
| O24 | C77 | H75 | 111.9° | 109.6° |
| C77 | O24 | H84 | 109.5° | 114.0° |
| C79 | C78 | O25 | 109.4° | 109.6° |
| C79 | C78 | H76 | 109.4° | 109.5° |
| C78 | C79 | C80 | 111.2° | 109.5° |
| C78 | C79 | O26 | 109.0° | 109.5° |
| C78 | C79 | H77 | 108.6° | 109.5° |
| O25 | C78 | H76 | 111.5° | 109.6° |
| C78 | O25 | H85 | 109.5° | 114.0° |
| C80 | C79 | O26 | 109.1° | 109.5° |
| C80 | C79 | H77 | 108.7° | 109.4° |
| C79 | C80 | O27 | 110.6° | 109.5° |
| C79 | C80 | H78 | 109.2° | 109.5° |
| C79 | C80 | H79 | 109.2° | 109.4° |
| O26 | C79 | H77 | 110.2° | 109.5° |
| O27 | C80 | H78 | 109.2° | 109.5° |
| O27 | C80 | H79 | 109.2° | 109.5° |
| C80 | O27 | H86 | 109.5° | 114.0° |
| H78 | C80 | H79 | 109.4° | 109.4° |
| C82 | C81 | N9 | 119.0° | 120.0° |
| C82 | C81 | O28 | 117.3° | 120.0° |
| C81 | C82 | H80 | 109.5° | 109.5° |
| C81 | C82 | H81 | 109.5° | 109.4° |
| C81 | C82 | H82 | 109.5° | 109.4° |
| N9 | C81 | O28 | 123.8° | 120.0° |
| C81 | N9 | H83 | 118.1° | 120.1° |
| H80 | C82 | H81 | 109.4° | 109.5° |
| H80 | C82 | H82 | 109.5° | 109.5° |
| H81 | C82 | H82 | 109.5° | 109.5° |
| C84 | C83 | O32 | 112.0° | 109.5° |
| C84 | C83 | H87 | 109.3° | 109.5° |
| C83 | C84 | C85 | 114.1° | 109.2° |
| C83 | C84 | O29 | 111.5° | 109.5° |
| C83 | C84 | H88 | 107.8° | 109.5° |
| C84 | C83 | O15 | 103.7° | 109.5° |
| O32 | C83 | H87 | 111.3° | 109.5° |
| C83 | O32 | C87 | 120.4° | 114.1° |
| O32 | C83 | O15 | 109.3° | 109.5° |
| H87 | C83 | O15 | 110.9° | 109.4° |
| C85 | C84 | O29 | 105.5° | 109.5° |
| C85 | C84 | H88 | 108.1° | 109.5° |
| C84 | C85 | C86 | 108.1° | 109.0° |
| C84 | C85 | O30 | 111.0° | 109.5° |
| C84 | C85 | H89 | 108.4° | 109.6° |
| O29 | C84 | H88 | 109.7° | 109.6° |
| C84 | O29 | H94 | 109.5° | 113.9° |
| C86 | C85 | O30 | 111.5° | 109.5° |
| C86 | C85 | H89 | 108.3° | 109.5° |
| C85 | C86 | C87 | 114.3° | 109.2° |
| C85 | C86 | O31 | 108.6° | 109.5° |
| C85 | C86 | H90 | 108.1° | 109.5° |
| O30 | C85 | H89 | 109.4° | 109.6° |
| C85 | O30 | H95 | 109.5° | 114.0° |
| C87 | C86 | O31 | 107.6° | 109.5° |
| C87 | C86 | H90 | 108.3° | 109.5° |
| C86 | C87 | C88 | 107.5° | 109.5° |
| C86 | C87 | O32 | 114.3° | 109.5° |
| C86 | C87 | H91 | 110.2° | 109.5° |
| O31 | C86 | H90 | 109.8° | 109.6° |
| C86 | O31 | H96 | 109.5° | 114.0° |
| C88 | C87 | O32 | 102.5° | 109.5° |
| C88 | C87 | H91 | 110.0° | 109.5° |
| C87 | C88 | O33 | 105.2° | 109.4° |
| C87 | C88 | H92 | 110.5° | 109.5° |
| C87 | C88 | H93 | 110.5° | 109.4° |
| O32 | C87 | H91 | 111.9° | 109.5° |
| O33 | C88 | H92 | 110.5° | 109.5° |
| O33 | C88 | H93 | 110.5° | 109.5° |
| C88 | O33 | H97 | 109.5° | 114.0° |
| H92 | C88 | H93 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C2 | C3 | 115.6° | 120.5° |
| N1 | C1 | C2 | H3 | 118.3° | 119.1° |
| N1 | C1 | C3 | H3 | 120.1° | 118.9° |
| N1 | C1 | C2 | O1 | 26.0° | 4.2° |
| N1 | C1 | C3 | C4 | 95.6° | 113.8° |
| N1 | C1 | C3 | C8 | 83.5° | 66.2° |
| N1 | C1 | C2 | N2 | 155.8° | 175.6° |
| H1 | N1 | C1 | C2 | 180.0° | 59.9° |
| H1 | N1 | C1 | C3 | 58.0° | 178.4° |
| H1 | N1 | C1 | H3 | 62.1° | 59.4° |
| H2 | N1 | C1 | C2 | 60.0° | 176.1° |
| H2 | N1 | C1 | C3 | 61.9° | 54.4° |
| H2 | N1 | C1 | H3 | 177.9° | 64.6° |
| C2 | C1 | C3 | H3 | 125.8° | 120.5° |
| C1 | C2 | O1 | N2 | 178.1° | 179.8° |
| C2 | C1 | C3 | C4 | 18.6° | 6.7° |
| C2 | C1 | C3 | C8 | 162.3° | 173.3° |
| C1 | C2 | N2 | C16 | 177.3° | 173.3° |
| C1 | C2 | N2 | H14 | 2.7° | 6.7° |
| C3 | C1 | C2 | O1 | 89.6° | 124.7° |
| C1 | C3 | C4 | C8 | 179.2° | 180.0° |
| C1 | C3 | C4 | C5 | 179.3° | 179.7° |
| C1 | C3 | C4 | H4 | 0.7° | 0.7° |
| C1 | C3 | C8 | C7 | 179.9° | 179.8° |
| C1 | C3 | C8 | H7 | 0.1° | 0.3° |
| C3 | C1 | C2 | N2 | 88.5° | 55.1° |
| H3 | C1 | C2 | O1 | 144.3° | 114.9° |
| H3 | C1 | C3 | C4 | 144.4° | 127.2° |
| H3 | C1 | C3 | C8 | 36.5° | 52.7° |
| H3 | C1 | C2 | N2 | 37.6° | 65.3° |
| O1 | C2 | N2 | C16 | 4.5° | 6.9° |
| O1 | C2 | N2 | H14 | 175.4° | 173.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 1.9° | 0.9° |
| C4 | C3 | C8 | C7 | 1.0° | 0.3° |
| C4 | C3 | C8 | H7 | 179.0° | 179.6° |
| C3 | C4 | C5 | O5 | 177.3° | 178.3° |
| C8 | C3 | C4 | C5 | 1.6° | 0.3° |
| C8 | C3 | C4 | H4 | 178.4° | 179.4° |
| C3 | C8 | C7 | C6 | 0.7° | 0.2° |
| C3 | C8 | C7 | H7 | 180.0° | 179.9° |
| C3 | C8 | C7 | H6 | 179.3° | 179.8° |
| C4 | C5 | C6 | O5 | 179.3° | 179.2° |
| C4 | C5 | C6 | O2 | 178.8° | 179.2° |
| C4 | C5 | C6 | C7 | 1.5° | 1.0° |
| C4 | C5 | O5 | C18 | 37.2° | 33.7° |
| H4 | C4 | C5 | C6 | 178.1° | 178.8° |
| H4 | C4 | C5 | O5 | 2.7° | 2.0° |
| C5 | C6 | O2 | C7 | 179.7° | 179.9° |
| C5 | C6 | O2 | H5 | 180.0° | 90.0° |
| C5 | C6 | C7 | C8 | 0.9° | 0.4° |
| C5 | C6 | C7 | H6 | 179.1° | 179.5° |
| C6 | C5 | O5 | C18 | 142.1° | 147.1° |
| O2 | C6 | C7 | C8 | 179.4° | 179.7° |
| O2 | C6 | C7 | H6 | 0.6° | 0.3° |
| O2 | C6 | C5 | O5 | 1.9° | 1.6° |
| C7 | C6 | O2 | H5 | 0.4° | 90.2° |
| C6 | C7 | C8 | H6 | 180.0° | 179.9° |
| C6 | C7 | C8 | H7 | 179.3° | 179.7° |
| C7 | C6 | C5 | O5 | 177.8° | 178.2° |
| H6 | C7 | C8 | H7 | 0.7° | 0.2° |
| O3 | C9 | C10 | C12 | 179.1° | 178.3° |
| O3 | C9 | C10 | C11 | 178.5° | 172.9° |
| O3 | C9 | C10 | CL1 | 0.0° | 7.1° |
| O3 | C9 | C12 | C13 | 178.1° | 171.7° |
| O3 | C9 | C12 | H8 | 1.9° | 9.7° |
| C9 | O3 | C30 | C29 | 26.2° | 44.6° |
| C9 | O3 | C30 | C31 | 154.4° | 134.6° |
| C9 | C10 | C11 | CL1 | 178.5° | 179.9° |
| C9 | C10 | C11 | C14 | 0.2° | 0.1° |
| C10 | C9 | C12 | C13 | 0.9° | 9.9° |
| C10 | C9 | C12 | H8 | 179.1° | 168.7° |
| C9 | C10 | C11 | H9 | 179.8° | 179.4° |
| C10 | C9 | O3 | C30 | 93.6° | 143.3° |
| C12 | C9 | C10 | C11 | 0.6° | 8.8° |
| C12 | C9 | C10 | CL1 | 179.1° | 171.2° |
| C9 | C12 | C13 | H8 | 180.0° | 178.6° |
| C9 | C12 | C13 | C14 | 0.5° | 2.2° |
| C9 | C12 | C13 | H10 | 179.5° | 177.8° |
| C12 | C9 | O3 | C30 | 85.4° | 38.4° |
| C10 | C11 | C14 | H9 | 180.0° | 179.3° |
| C10 | C11 | C14 | C13 | 0.7° | 7.6° |
| C10 | C11 | C14 | C15 | 177.6° | 168.8° |
| CL1 | C10 | C11 | C14 | 178.2° | 179.9° |
| CL1 | C10 | C11 | H9 | 1.8° | 0.5° |
| C11 | C14 | C13 | C12 | 0.4° | 6.5° |
| C11 | C14 | C13 | C15 | 178.3° | 176.5° |
| C11 | C14 | C15 | C16 | 97.3° | 61.4° |
| C11 | C14 | C13 | H10 | 179.6° | 173.5° |
| C11 | C14 | C15 | H11 | 22.8° | 179.0° |
| C11 | C14 | C15 | H12 | 142.6° | 59.5° |
| C12 | C13 | C14 | H10 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 178.0° | 170.0° |
| C13 | C14 | C15 | C16 | 81.0° | 115.0° |
| C14 | C13 | C12 | H8 | 179.5° | 176.4° |
| C13 | C14 | C11 | H9 | 179.3° | 171.7° |
| C13 | C14 | C15 | H11 | 158.9° | 4.6° |
| C13 | C14 | C15 | H12 | 39.1° | 124.0° |
| C14 | C15 | C16 | H11 | 120.1° | 119.6° |
| C14 | C15 | C16 | H12 | 120.1° | 121.1° |
| C14 | C15 | C16 | C17 | 56.3° | 29.3° |
| C14 | C15 | C16 | N2 | 71.7° | 91.2° |
| C15 | C14 | C11 | H9 | 2.4° | 11.8° |
| C15 | C14 | C13 | H10 | 2.0° | 10.0° |
| C14 | C15 | H11 | H12 | 119.7° | 120.2° |
| C14 | C15 | C16 | H13 | 172.0° | 150.2° |
| C15 | C16 | C17 | N2 | 126.8° | 119.4° |
| C15 | C16 | C17 | H13 | 115.6° | 120.7° |
| C15 | C16 | N2 | H13 | 115.7° | 118.1° |
| C15 | C16 | C17 | O4 | 69.0° | 54.0° |
| C16 | C15 | H11 | H12 | 119.7° | 120.0° |
| C15 | C16 | N2 | H14 | 55.1° | 63.0° |
| C15 | C16 | N2 | C2 | 124.9° | 117.0° |
| C15 | C16 | C17 | N3 | 110.8° | 125.7° |
| C17 | C16 | N2 | H13 | 117.3° | 119.7° |
| C16 | C17 | O4 | N3 | 179.8° | 179.7° |
| C17 | C16 | C15 | H11 | 63.8° | 90.3° |
| C17 | C16 | C15 | H12 | 176.4° | 150.4° |
| C17 | C16 | N2 | H14 | 71.9° | 59.3° |
| C16 | C17 | N3 | C24 | 162.6° | 161.0° |
| C16 | C17 | N3 | H15 | 17.4° | 18.6° |
| C17 | C16 | N2 | C2 | 108.1° | 120.7° |
| N2 | C16 | C17 | O4 | 164.2° | 65.4° |
| N2 | C16 | C15 | H11 | 168.2° | 149.2° |
| N2 | C16 | C15 | H12 | 48.4° | 29.9° |
| C16 | N2 | H14 | C2 | 180.0° | 180.0° |
| N2 | C16 | C17 | N3 | 16.0° | 114.9° |
| O4 | C17 | C16 | H13 | 46.6° | 174.7° |
| O4 | C17 | N3 | C24 | 17.6° | 19.3° |
| O4 | C17 | N3 | H15 | 162.4° | 161.1° |
| H8 | C12 | C13 | H10 | 0.5° | 3.6° |
| H11 | C15 | C16 | H13 | 52.0° | 30.6° |
| H12 | C15 | C16 | H13 | 67.9° | 88.7° |
| H13 | C16 | N2 | H14 | 170.8° | 179.0° |
| H13 | C16 | N2 | C2 | 9.2° | 1.0° |
| H13 | C16 | C17 | N3 | 133.6° | 5.0° |
| N3 | C24 | C23 | C19 | 43.2° | 61.3° |
| N3 | C24 | C23 | C22 | 132.9° | 119.0° |
| N3 | C24 | C23 | C25 | 130.8° | 125.2° |
| N3 | C24 | C23 | H16 | 114.3° | 115.8° |
| N3 | C24 | C25 | H16 | 117.1° | 120.5° |
| N3 | C24 | C25 | O7 | 133.5° | 78.4° |
| C24 | N3 | H15 | C17 | 180.0° | 179.6° |
| N3 | C24 | C25 | N4 | 46.8° | 105.3° |
| O5 | C18 | C19 | C20 | 177.8° | 179.5° |
| O5 | C18 | C19 | C23 | 179.5° | 179.6° |
| O5 | C18 | C20 | C21 | 178.6° | 179.7° |
| O5 | C18 | C19 | H17 | 0.5° | 1.1° |
| O5 | C18 | C20 | H18 | 1.4° | 0.4° |
| C18 | C19 | C23 | H17 | 180.0° | 179.3° |
| C19 | C18 | C20 | C21 | 0.6° | 0.7° |
| C18 | C19 | C23 | C22 | 0.5° | 0.3° |
| C18 | C19 | C23 | C24 | 175.6° | 179.9° |
| C19 | C18 | C20 | H18 | 179.4° | 179.1° |
| C19 | C18 | O5 | C5 | 27.1° | 84.5° |
| C20 | C18 | C19 | C23 | 1.7° | 0.8° |
| C18 | C20 | C21 | H18 | 180.0° | 179.8° |
| C18 | C20 | C21 | O6 | 179.9° | 180.0° |
| C18 | C20 | C21 | C22 | 1.8° | 0.1° |
| C20 | C18 | C19 | H17 | 178.3° | 178.5° |
| C20 | C18 | O5 | C5 | 155.0° | 96.0° |
| C19 | C23 | C22 | C21 | 1.9° | 0.3° |
| C19 | C23 | C22 | C24 | 176.2° | 179.6° |
| C19 | C23 | C24 | C25 | 87.6° | 63.8° |
| C19 | C23 | C24 | H16 | 157.5° | 177.1° |
| C19 | C23 | C22 | H20 | 178.1° | 179.7° |
| C20 | C21 | O6 | C22 | 178.1° | 179.8° |
| C20 | C21 | C22 | C23 | 3.1° | 0.4° |
| C20 | C21 | O6 | H19 | 180.0° | 90.0° |
| C20 | C21 | C22 | H20 | 176.9° | 179.6° |
| O6 | C21 | C22 | C23 | 178.8° | 179.4° |
| O6 | C21 | C20 | H18 | 0.1° | 0.1° |
| O6 | C21 | C22 | H20 | 1.2° | 0.5° |
| C21 | C22 | C23 | H20 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 178.1° | 179.3° |
| C22 | C21 | C20 | H18 | 178.2° | 179.7° |
| C22 | C21 | O6 | H19 | 1.9° | 89.8° |
| C22 | C23 | C24 | C25 | 96.3° | 115.8° |
| C22 | C23 | C24 | H16 | 18.6° | 3.2° |
| C22 | C23 | C19 | H17 | 179.5° | 179.0° |
| C23 | C24 | C25 | H16 | 114.9° | 117.9° |
| C23 | C24 | C25 | O7 | 98.5° | 43.2° |
| C23 | C24 | N3 | H15 | 80.7° | 107.4° |
| C24 | C23 | C19 | H17 | 4.4° | 0.7° |
| C24 | C23 | C22 | H20 | 1.9° | 0.6° |
| C23 | C24 | N3 | C17 | 99.3° | 72.1° |
| C23 | C24 | C25 | N4 | 81.2° | 133.1° |
| C24 | C25 | O7 | N4 | 179.7° | 177.0° |
| C25 | C24 | N3 | H15 | 47.6° | 129.6° |
| C24 | C25 | N4 | C26 | 177.9° | 90.2° |
| C24 | C25 | N4 | H21 | 2.1° | 90.0° |
| C25 | C24 | N3 | C17 | 132.3° | 50.8° |
| O7 | C25 | C24 | H16 | 16.4° | 161.1° |
| O7 | C25 | N4 | C26 | 2.5° | 93.4° |
| O7 | C25 | N4 | H21 | 177.6° | 86.4° |
| H15 | N3 | C24 | H16 | 164.9° | 8.2° |
| H16 | C24 | N3 | C17 | 15.1° | 172.2° |
| H16 | C24 | C25 | N4 | 163.9° | 15.2° |
| C26 | N4 | H21 | C25 | 180.0° | 179.8° |
| N4 | C26 | C27 | C28 | 126.5° | 129.5° |
| N4 | C26 | C27 | H22 | 117.1° | 117.4° |
| N4 | C26 | C28 | H22 | 118.6° | 116.9° |
| N4 | C26 | C27 | O8 | 41.4° | 67.6° |
| N4 | C26 | C28 | C29 | 29.5° | 42.7° |
| N4 | C26 | C28 | C33 | 151.7° | 137.9° |
| N4 | C26 | C27 | N5 | 138.6° | 111.4° |
| H21 | N4 | C26 | C27 | 62.6° | 30.3° |
| H21 | N4 | C26 | C28 | 62.2° | 97.4° |
| H21 | N4 | C26 | H22 | 179.5° | 146.7° |
| C27 | C26 | C28 | H22 | 116.4° | 113.1° |
| C26 | C27 | O8 | N5 | 180.0° | 179.1° |
| C27 | C26 | C28 | C29 | 154.5° | 172.7° |
| C27 | C26 | C28 | C33 | 26.7° | 8.0° |
| C26 | C27 | N5 | C34 | 165.4° | 145.0° |
| C26 | C27 | N5 | H25 | 14.6° | 34.9° |
| C27 | C26 | N4 | C25 | 117.4° | 149.9° |
| C28 | C26 | C27 | O8 | 85.1° | 61.9° |
| C26 | C28 | C29 | C33 | 178.8° | 179.4° |
| C26 | C28 | C29 | C30 | 179.3° | 177.2° |
| C26 | C28 | C29 | H23 | 0.7° | 3.0° |
| C26 | C28 | C33 | C32 | 179.7° | 178.8° |
| C26 | C28 | C33 | H24 | 0.3° | 1.0° |
| C28 | C26 | N4 | C25 | 117.8° | 82.4° |
| C28 | C26 | C27 | N5 | 94.9° | 119.1° |
| H22 | C26 | C27 | O8 | 158.5° | 175.0° |
| H22 | C26 | C28 | C29 | 89.1° | 74.2° |
| H22 | C26 | C28 | C33 | 89.7° | 105.1° |
| H22 | C26 | N4 | C25 | 0.5° | 33.5° |
| H22 | C26 | C27 | N5 | 21.5° | 5.9° |
| O8 | C27 | N5 | C34 | 14.6° | 36.0° |
| O8 | C27 | N5 | H25 | 165.4° | 144.2° |
| C28 | C29 | C30 | H23 | 180.0° | 179.8° |
| C28 | C29 | C30 | C31 | 0.4° | 4.0° |
| C29 | C28 | C33 | C32 | 0.9° | 0.6° |
| C29 | C28 | C33 | H24 | 179.1° | 179.6° |
| C28 | C29 | C30 | O3 | 179.0° | 175.3° |
| C33 | C28 | C29 | C30 | 0.5° | 2.2° |
| C33 | C28 | C29 | H23 | 179.5° | 177.6° |
| C28 | C33 | C32 | C31 | 0.3° | 0.8° |
| C28 | C33 | C32 | H24 | 180.0° | 179.7° |
| C28 | C33 | C32 | O12 | 179.3° | 176.7° |
| C29 | C30 | C31 | O3 | 179.5° | 179.2° |
| C29 | C30 | C31 | O9 | 179.0° | 177.3° |
| C29 | C30 | C31 | C32 | 0.9° | 4.0° |
| H23 | C29 | C30 | C31 | 179.6° | 175.8° |
| H23 | C29 | C30 | O3 | 1.0° | 4.9° |
| C30 | C31 | O9 | C32 | 178.2° | 178.7° |
| C30 | C31 | C32 | C33 | 0.6° | 2.5° |
| C30 | C31 | C32 | O12 | 179.7° | 175.0° |
| C30 | C31 | O9 | C59 | 79.2° | 90.0° |
| O9 | C31 | C32 | C33 | 178.7° | 178.8° |
| C31 | O9 | C59 | C60 | 161.4° | 175.0° |
| C31 | O9 | C59 | O21 | 82.6° | 65.0° |
| C31 | O9 | C59 | H43 | 42.0° | 55.0° |
| O9 | C31 | C30 | O3 | 0.5° | 3.5° |
| O9 | C31 | C32 | O12 | 1.6° | 3.8° |
| C31 | C32 | C33 | O12 | 179.7° | 177.6° |
| C31 | C32 | C33 | H24 | 179.7° | 179.4° |
| C31 | C32 | O12 | C45 | 166.3° | 125.5° |
| C32 | C31 | C30 | O3 | 178.6° | 175.2° |
| C32 | C31 | O9 | C59 | 102.6° | 88.7° |
| C33 | C32 | O12 | C45 | 13.4° | 52.1° |
| H24 | C33 | C32 | O12 | 0.7° | 3.0° |
| C34 | N5 | H25 | C27 | 180.0° | 179.9° |
| N5 | C34 | C35 | C36 | 127.6° | 121.1° |
| N5 | C34 | C35 | H26 | 116.7° | 122.5° |
| N5 | C34 | C36 | H26 | 122.5° | 127.6° |
| N5 | C34 | C35 | O10 | 19.6° | 4.0° |
| N5 | C34 | C36 | C37 | 124.6° | 59.2° |
| N5 | C34 | C36 | C41 | 57.4° | 122.1° |
| N5 | C34 | C35 | N6 | 161.0° | 174.8° |
| H25 | N5 | C34 | C35 | 31.7° | 87.9° |
| H25 | N5 | C34 | C36 | 89.4° | 25.1° |
| H25 | N5 | C34 | H26 | 148.1° | 151.7° |
| C35 | C34 | C36 | H26 | 115.4° | 115.5° |
| C34 | C35 | O10 | N6 | 179.3° | 178.7° |
| C35 | C34 | C36 | C37 | 113.3° | 57.7° |
| C35 | C34 | C36 | C41 | 64.7° | 121.0° |
| C34 | C35 | N6 | C42 | 11.9° | 150.3° |
| C34 | C35 | N6 | H31 | 168.1° | 29.6° |
| C35 | C34 | N5 | C27 | 148.3° | 92.0° |
| C36 | C34 | C35 | O10 | 108.0° | 125.1° |
| C34 | C36 | C37 | C41 | 178.1° | 178.7° |
| C34 | C36 | C37 | C38 | 178.2° | 173.9° |
| C34 | C36 | C37 | H27 | 1.8° | 7.5° |
| C34 | C36 | C41 | C40 | 178.7° | 174.2° |
| C34 | C36 | C41 | H30 | 1.3° | 5.8° |
| C36 | C34 | N5 | C27 | 90.6° | 155.0° |
| C36 | C34 | C35 | N6 | 71.4° | 53.7° |
| H26 | C34 | C35 | O10 | 136.3° | 118.5° |
| H26 | C34 | C36 | C37 | 2.2° | 173.1° |
| H26 | C34 | C36 | C41 | 179.8° | 5.5° |
| H26 | C34 | N5 | C27 | 31.9° | 28.5° |
| H26 | C34 | C35 | N6 | 44.3° | 62.7° |
| O10 | C35 | N6 | C42 | 168.8° | 28.4° |
| O10 | C35 | N6 | H31 | 11.3° | 151.7° |
| C36 | C37 | C38 | H27 | 180.0° | 178.6° |
| C36 | C37 | C38 | C39 | 0.2° | 1.1° |
| C37 | C36 | C41 | C40 | 0.6° | 4.4° |
| C37 | C36 | C41 | H30 | 179.4° | 175.5° |
| C36 | C37 | C38 | C52 | 178.9° | 177.7° |
| C41 | C36 | C37 | C38 | 0.2° | 4.8° |
| C41 | C36 | C37 | H27 | 179.9° | 173.8° |
| C36 | C41 | C40 | C39 | 1.1° | 0.4° |
| C36 | C41 | C40 | H30 | 180.0° | 180.0° |
| C36 | C41 | C40 | H29 | 178.9° | 179.3° |
| C37 | C38 | C39 | C52 | 178.7° | 178.9° |
| C37 | C38 | C39 | O11 | 179.5° | 176.5° |
| C37 | C38 | C39 | C40 | 0.7° | 2.9° |
| C37 | C38 | C52 | C51 | 98.5° | 128.4° |
| C37 | C38 | C52 | C56 | 77.5° | 51.1° |
| H27 | C37 | C38 | C39 | 179.8° | 177.5° |
| H27 | C37 | C38 | C52 | 1.1° | 3.8° |
| C38 | C39 | O11 | C40 | 178.8° | 179.4° |
| C38 | C39 | O11 | H28 | 180.0° | 89.9° |
| C38 | C39 | C40 | C41 | 1.1° | 3.3° |
| C38 | C39 | C40 | H29 | 178.8° | 177.0° |
| C39 | C38 | C52 | C51 | 82.8° | 52.8° |
| C39 | C38 | C52 | C56 | 101.2° | 127.7° |
| O11 | C39 | C40 | C41 | 180.0° | 176.2° |
| O11 | C39 | C40 | H29 | 0.0° | 3.5° |
| O11 | C39 | C38 | C52 | 1.8° | 2.4° |
| C40 | C39 | O11 | H28 | 1.2° | 90.6° |
| C39 | C40 | C41 | H29 | 180.0° | 179.7° |
| C39 | C40 | C41 | H30 | 178.9° | 179.5° |
| C40 | C39 | C38 | C52 | 179.3° | 178.2° |
| H29 | C40 | C41 | H30 | 1.1° | 0.8° |
| N6 | C42 | C49 | C46 | 57.6° | 24.2° |
| N6 | C42 | C50 | O13 | 24.4° | 117.6° |
| N6 | C42 | C50 | C49 | 124.7° | 125.1° |
| N6 | C42 | C50 | H32 | 115.2° | 117.4° |
| N6 | C42 | C49 | H32 | 116.9° | 120.2° |
| N6 | C42 | C49 | O14 | 60.5° | 96.8° |
| C42 | N6 | H31 | C35 | 180.0° | 179.9° |
| N6 | C42 | C49 | H36 | 177.3° | 142.9° |
| N6 | C42 | C50 | N7 | 149.4° | 60.8° |
| O12 | C45 | C43 | C44 | 177.1° | 179.0° |
| O12 | C45 | C43 | C47 | 179.3° | 176.5° |
| O12 | C45 | C44 | C48 | 178.3° | 175.3° |
| O12 | C45 | C44 | CL2 | 2.8° | 3.2° |
| O12 | C45 | C43 | H33 | 0.7° | 3.8° |
| C45 | C43 | C47 | H33 | 180.0° | 179.7° |
| C45 | C43 | C47 | C46 | 2.4° | 0.9° |
| C43 | C45 | C44 | C48 | 1.3° | 5.8° |
| C43 | C45 | C44 | CL2 | 179.9° | 175.7° |
| C45 | C43 | C47 | H34 | 177.6° | 178.7° |
| C43 | C45 | O12 | C32 | 105.8° | 45.6° |
| C44 | C45 | C43 | C47 | 2.2° | 4.5° |
| C45 | C44 | C48 | C46 | 0.3° | 1.7° |
| C45 | C44 | C48 | CL2 | 178.9° | 178.5° |
| C44 | C45 | C43 | H33 | 177.7° | 175.2° |
| C45 | C44 | C48 | H35 | 179.7° | 178.6° |
| C44 | C45 | O12 | C32 | 71.1° | 135.5° |
| C43 | C47 | C46 | H34 | 180.0° | 179.6° |
| C43 | C47 | C46 | C48 | 1.4° | 4.9° |
| C43 | C47 | C46 | C49 | 173.1° | 173.2° |
| C47 | C46 | C48 | C49 | 174.8° | 178.2° |
| C47 | C46 | C48 | C44 | 0.3° | 3.6° |
| C47 | C46 | C49 | C42 | 87.5° | 136.1° |
| C47 | C46 | C49 | O14 | 26.5° | 14.7° |
| C46 | C47 | C43 | H33 | 177.6° | 179.4° |
| C47 | C46 | C48 | H35 | 179.7° | 176.0° |
| C47 | C46 | C49 | H36 | 153.5° | 104.7° |
| C46 | C48 | C44 | H35 | 180.0° | 179.6° |
| C46 | C48 | C44 | CL2 | 179.3° | 179.8° |
| C48 | C46 | C49 | C42 | 87.1° | 42.0° |
| C48 | C46 | C49 | O14 | 158.8° | 163.5° |
| C48 | C46 | C47 | H34 | 178.6° | 174.7° |
| C48 | C46 | C49 | H36 | 31.9° | 77.1° |
| C49 | C46 | C48 | C44 | 174.5° | 174.5° |
| C46 | C49 | C42 | C50 | 179.5° | 146.5° |
| C46 | C49 | C42 | O14 | 118.1° | 121.0° |
| C46 | C49 | C42 | H36 | 119.7° | 118.7° |
| C46 | C49 | O14 | H36 | 126.2° | 119.1° |
| C46 | C49 | C42 | H32 | 59.3° | 96.1° |
| C49 | C46 | C47 | H34 | 6.9° | 7.2° |
| C49 | C46 | C48 | H35 | 5.5° | 5.8° |
| C46 | C49 | O14 | C75 | 79.0° | 94.7° |
| CL2 | C44 | C48 | H35 | 0.7° | 0.2° |
| O13 | C50 | C42 | N7 | 173.8° | 178.4° |
| O13 | C50 | C42 | C49 | 100.3° | 117.3° |
| O13 | C50 | C42 | H32 | 139.6° | 0.2° |
| O13 | C50 | N7 | C57 | 20.5° | 19.2° |
| O13 | C50 | N7 | H37 | 159.5° | 162.3° |
| C50 | C42 | C49 | H32 | 120.2° | 117.4° |
| C50 | C42 | C49 | O14 | 62.4° | 25.5° |
| C50 | C42 | N6 | H31 | 67.8° | 102.4° |
| C50 | C42 | C49 | H36 | 59.8° | 94.8° |
| C42 | C50 | N7 | C57 | 153.3° | 162.5° |
| C42 | C50 | N7 | H37 | 26.7° | 16.1° |
| C50 | C42 | N6 | C35 | 112.2° | 77.5° |
| C42 | C49 | O14 | H36 | 120.9° | 120.4° |
| C49 | C42 | N6 | H31 | 60.9° | 134.0° |
| C49 | C42 | N6 | C35 | 119.1° | 46.0° |
| C49 | C42 | C50 | N7 | 85.9° | 64.2° |
| C42 | C49 | O14 | C75 | 168.1° | 144.8° |
| O14 | C49 | C42 | H32 | 177.4° | 142.9° |
| C49 | O14 | C75 | C76 | 176.2° | 177.5° |
| C49 | O14 | C75 | O26 | 63.6° | 62.5° |
| C49 | O14 | C75 | H73 | 56.8° | 57.5° |
| H31 | N6 | C42 | H32 | 177.4° | 14.3° |
| H32 | C42 | C49 | H36 | 60.4° | 22.6° |
| H32 | C42 | N6 | C35 | 2.7° | 165.7° |
| H32 | C42 | C50 | N7 | 34.2° | 178.3° |
| H33 | C43 | C47 | H34 | 2.4° | 1.0° |
| H36 | C49 | O14 | C75 | 47.3° | 24.4° |
| N7 | C57 | C56 | C52 | 79.5° | 1.6° |
| N7 | C57 | C56 | C55 | 99.8° | 177.6° |
| N7 | C57 | C56 | C58 | 121.1° | 130.1° |
| N7 | C57 | C56 | H38 | 120.0° | 118.6° |
| N7 | C57 | C58 | H38 | 118.7° | 112.5° |
| N7 | C57 | C58 | O17 | 27.7° | 58.5° |
| N7 | C57 | C58 | O18 | 153.2° | 121.5° |
| C57 | N7 | H37 | C50 | 180.0° | 178.7° |
| O15 | C51 | C52 | C53 | 179.7° | 179.8° |
| O15 | C51 | C52 | C56 | 179.9° | 177.5° |
| O15 | C51 | C53 | C54 | 179.7° | 178.3° |
| O15 | C51 | C53 | H39 | 0.3° | 1.5° |
| C51 | O15 | C83 | C84 | 178.3° | 170.0° |
| C51 | O15 | C83 | O32 | 58.6° | 70.0° |
| C51 | O15 | C83 | H87 | 64.5° | 50.0° |
| O15 | C51 | C52 | C38 | 3.9° | 2.0° |
| C51 | C52 | C56 | C38 | 176.2° | 179.5° |
| C52 | C51 | C53 | C54 | 0.6° | 1.5° |
| C51 | C52 | C56 | C55 | 0.1° | 1.0° |
| C51 | C52 | C56 | C57 | 179.4° | 178.2° |
| C52 | C51 | C53 | H39 | 179.4° | 178.7° |
| C52 | C51 | O15 | C83 | 177.9° | 180.0° |
| C53 | C51 | C52 | C56 | 0.2° | 2.2° |
| C51 | C53 | C54 | H39 | 180.0° | 179.7° |
| C51 | C53 | C54 | O16 | 179.6° | 179.7° |
| C51 | C53 | C54 | C55 | 0.8° | 0.4° |
| C53 | C51 | C52 | C38 | 175.8° | 178.3° |
| C53 | C51 | O15 | C83 | 2.4° | 0.2° |
| C52 | C56 | C55 | C54 | 0.3° | 0.9° |
| C52 | C56 | C55 | C57 | 179.3° | 179.3° |
| C52 | C56 | C57 | C58 | 159.3° | 128.5° |
| C52 | C56 | C57 | H38 | 40.5° | 120.1° |
| C52 | C56 | C55 | H41 | 179.7° | 177.3° |
| C53 | C54 | O16 | C55 | 179.6° | 179.8° |
| C53 | C54 | C55 | C56 | 0.7° | 1.7° |
| C53 | C54 | O16 | H40 | 180.0° | 90.0° |
| C53 | C54 | C55 | H41 | 179.3° | 176.6° |
| O16 | C54 | C55 | C56 | 179.7° | 178.5° |
| O16 | C54 | C53 | H39 | 0.4° | 0.5° |
| O16 | C54 | C55 | H41 | 0.3° | 3.3° |
| C54 | C55 | C56 | H41 | 180.0° | 178.2° |
| C54 | C55 | C56 | C57 | 179.6° | 179.8° |
| C55 | C54 | C53 | H39 | 179.2° | 179.3° |
| C55 | C54 | O16 | H40 | 0.4° | 90.2° |
| C55 | C56 | C57 | C58 | 21.3° | 52.3° |
| C55 | C56 | C57 | H38 | 140.2° | 59.0° |
| C55 | C56 | C52 | C38 | 176.1° | 179.6° |
| C56 | C57 | C58 | H38 | 119.2° | 111.4° |
| C56 | C57 | C58 | O17 | 94.3° | 77.5° |
| C56 | C57 | C58 | O18 | 84.8° | 102.5° |
| C56 | C57 | N7 | H37 | 39.5° | 78.1° |
| C57 | C56 | C55 | H41 | 0.4° | 2.0° |
| C57 | C56 | C52 | C38 | 3.2° | 1.3° |
| C56 | C57 | N7 | C50 | 140.5° | 103.4° |
| C57 | C58 | O17 | O18 | 179.1° | 180.0° |
| C58 | C57 | N7 | H37 | 82.4° | 152.5° |
| C57 | C58 | O18 | H42 | 179.1° | 180.0° |
| C58 | C57 | N7 | C50 | 97.6° | 26.1° |
| O17 | C58 | C57 | H38 | 146.5° | 171.1° |
| O17 | C58 | O18 | H42 | 0.0° | 0.0° |
| O18 | C58 | C57 | H38 | 34.4° | 8.9° |
| H37 | N7 | C57 | H38 | 159.4° | 40.3° |
| H38 | C57 | N7 | C50 | 20.6° | 138.2° |
| C60 | C59 | O21 | H43 | 120.5° | 120.0° |
| C60 | C59 | O21 | O9 | 114.8° | 120.0° |
| C60 | C59 | H43 | O9 | 116.8° | 120.1° |
| C59 | C60 | C61 | N8 | 121.9° | 119.9° |
| C59 | C60 | C61 | H44 | 118.7° | 119.9° |
| C59 | C60 | N8 | H44 | 119.6° | 120.3° |
| C59 | C60 | C61 | C62 | 54.5° | 57.0° |
| C59 | C60 | C61 | O19 | 174.8° | 176.9° |
| C59 | C60 | C61 | H45 | 64.2° | 62.9° |
| C60 | C59 | O21 | C63 | 67.4° | 61.1° |
| C59 | C60 | N8 | H50 | 70.7° | 95.0° |
| C59 | C60 | N8 | C74 | 109.3° | 85.0° |
| O21 | C59 | H43 | O9 | 124.0° | 120.0° |
| O21 | C59 | C60 | C61 | 60.0° | 57.6° |
| O21 | C59 | C60 | N8 | 179.1° | 177.5° |
| O21 | C59 | C60 | H44 | 58.8° | 62.3° |
| C59 | O21 | C63 | C62 | 68.7° | 61.1° |
| C59 | O21 | C63 | C64 | 166.8° | 178.8° |
| C59 | O21 | C63 | H47 | 48.7° | 58.9° |
| H43 | C59 | C60 | C61 | 61.6° | 62.4° |
| H43 | C59 | C60 | N8 | 59.4° | 57.5° |
| H43 | C59 | C60 | H44 | 179.7° | 177.8° |
| H43 | C59 | O21 | C63 | 53.2° | 58.8° |
| C61 | C60 | N8 | H44 | 118.8° | 120.1° |
| C60 | C61 | C62 | O19 | 119.9° | 119.9° |
| C60 | C61 | C62 | H45 | 118.5° | 119.8° |
| C60 | C61 | O19 | H45 | 120.1° | 120.2° |
| C60 | C61 | C62 | C63 | 55.3° | 56.9° |
| C60 | C61 | C62 | O20 | 175.4° | 176.9° |
| C60 | C61 | C62 | H46 | 64.8° | 62.9° |
| C61 | C60 | N8 | H50 | 51.0° | 24.7° |
| C60 | C61 | O19 | H51 | 180.0° | 180.0° |
| C61 | C60 | C59 | O9 | 177.8° | 177.6° |
| C61 | C60 | N8 | C74 | 129.1° | 155.3° |
| N8 | C60 | C61 | C62 | 176.3° | 176.9° |
| N8 | C60 | C61 | O19 | 63.3° | 63.2° |
| N8 | C60 | C61 | H45 | 57.7° | 57.0° |
| C60 | N8 | H50 | C74 | 180.0° | 180.0° |
| C60 | N8 | C74 | C72 | 169.5° | 180.0° |
| C60 | N8 | C74 | O23 | 10.6° | 0.0° |
| N8 | C60 | C59 | O9 | 61.2° | 62.6° |
| H44 | C60 | C61 | C62 | 64.2° | 63.0° |
| H44 | C60 | C61 | O19 | 56.1° | 56.9° |
| H44 | C60 | C61 | H45 | 177.1° | 177.2° |
| H44 | C60 | N8 | H50 | 169.7° | 144.8° |
| H44 | C60 | C59 | O9 | 59.1° | 57.7° |
| H44 | C60 | N8 | C74 | 10.3° | 35.2° |
| C62 | C61 | O19 | H45 | 121.0° | 120.2° |
| C61 | C62 | C63 | O20 | 116.6° | 120.0° |
| C61 | C62 | C63 | H46 | 120.3° | 119.9° |
| C61 | C62 | O20 | H46 | 119.0° | 120.2° |
| C61 | C62 | C63 | C64 | 176.5° | 177.6° |
| C61 | C62 | C63 | O21 | 62.3° | 57.5° |
| C61 | C62 | C63 | H47 | 55.9° | 62.4° |
| C62 | C61 | O19 | H51 | 61.1° | 60.4° |
| C61 | C62 | O20 | H52 | 180.0° | 180.0° |
| O19 | C61 | C62 | C63 | 175.2° | 176.8° |
| O19 | C61 | C62 | O20 | 64.7° | 63.2° |
| O19 | C61 | C62 | H46 | 55.1° | 56.9° |
| H45 | C61 | C62 | C63 | 63.2° | 62.9° |
| H45 | C61 | C62 | O20 | 56.9° | 57.1° |
| H45 | C61 | C62 | H46 | 176.7° | 177.3° |
| H45 | C61 | O19 | H51 | 59.8° | 59.8° |
| C63 | C62 | O20 | H46 | 122.1° | 120.1° |
| C62 | C63 | C64 | O21 | 120.5° | 120.0° |
| C62 | C63 | C64 | H47 | 120.5° | 120.0° |
| C62 | C63 | O21 | H47 | 117.3° | 120.0° |
| C62 | C63 | C64 | O22 | 64.6° | 175.0° |
| C62 | C63 | C64 | H48 | 175.7° | 55.0° |
| C62 | C63 | C64 | H49 | 55.1° | 65.0° |
| C63 | C62 | O20 | H52 | 61.1° | 60.3° |
| O20 | C62 | C63 | C64 | 59.8° | 62.4° |
| O20 | C62 | C63 | O21 | 179.0° | 177.5° |
| O20 | C62 | C63 | H47 | 60.7° | 57.5° |
| H46 | C62 | C63 | C64 | 63.2° | 57.7° |
| H46 | C62 | C63 | O21 | 58.0° | 62.3° |
| H46 | C62 | C63 | H47 | 176.3° | 177.7° |
| H46 | C62 | O20 | H52 | 61.0° | 59.8° |
| C64 | C63 | O21 | H47 | 118.1° | 120.0° |
| C63 | C64 | O22 | H48 | 119.7° | 120.0° |
| C63 | C64 | O22 | H49 | 119.7° | 120.0° |
| C63 | C64 | H48 | H49 | 120.8° | 119.9° |
| C63 | C64 | O22 | H53 | 180.0° | 180.0° |
| O21 | C63 | C64 | O22 | 55.9° | 65.0° |
| O21 | C63 | C64 | H48 | 63.8° | 175.0° |
| O21 | C63 | C64 | H49 | 175.6° | 55.0° |
| C63 | O21 | C59 | O9 | 177.9° | 178.9° |
| H47 | C63 | C64 | O22 | 174.9° | 55.0° |
| H47 | C63 | C64 | H48 | 55.2° | 65.0° |
| H47 | C63 | C64 | H49 | 65.4° | 175.0° |
| O22 | C64 | H48 | H49 | 120.8° | 120.1° |
| H48 | C64 | O22 | H53 | 60.3° | 60.1° |
| H49 | C64 | O22 | H53 | 60.3° | 60.0° |
| H50 | N8 | C74 | C72 | 10.5° | 0.0° |
| H50 | N8 | C74 | O23 | 169.4° | 180.0° |
| C74 | C72 | C71 | H54 | 119.7° | 120.0° |
| C74 | C72 | C71 | H55 | 119.7° | 120.1° |
| C72 | C74 | O23 | N8 | 179.9° | 180.0° |
| C74 | C72 | C71 | C70 | 136.3° | 180.0° |
| C74 | C72 | H54 | H55 | 120.7° | 120.0° |
| C74 | C72 | C71 | H56 | 103.2° | 60.0° |
| C74 | C72 | C71 | H57 | 15.9° | 60.0° |
| C71 | C72 | C74 | O23 | 86.0° | 0.0° |
| C72 | C71 | C70 | H56 | 120.5° | 120.0° |
| C72 | C71 | C70 | H57 | 120.4° | 120.0° |
| C72 | C71 | C70 | C69 | 131.2° | 179.9° |
| C71 | C72 | H54 | H55 | 120.8° | 120.0° |
| C72 | C71 | H56 | H57 | 118.7° | 120.0° |
| C72 | C71 | C70 | H58 | 11.3° | 60.0° |
| C72 | C71 | C70 | H59 | 109.0° | 60.0° |
| C71 | C72 | C74 | N8 | 93.8° | 180.0° |
| O23 | C74 | C72 | H54 | 33.7° | 120.0° |
| O23 | C74 | C72 | H55 | 154.2° | 120.1° |
| C71 | C70 | C69 | H58 | 119.8° | 120.1° |
| C71 | C70 | C69 | H59 | 119.8° | 119.9° |
| C71 | C70 | C69 | C68 | 161.1° | 180.0° |
| C70 | C71 | C72 | H54 | 16.6° | 60.0° |
| C70 | C71 | C72 | H55 | 104.0° | 60.0° |
| C70 | C71 | H56 | H57 | 118.7° | 120.0° |
| C71 | C70 | H58 | H59 | 120.5° | 120.0° |
| C71 | C70 | C69 | H60 | 78.7° | 59.9° |
| C71 | C70 | C69 | H61 | 40.9° | 60.1° |
| C70 | C69 | C68 | H60 | 120.2° | 120.1° |
| C70 | C69 | C68 | H61 | 120.2° | 119.9° |
| C70 | C69 | C68 | C67 | 150.6° | 179.9° |
| C69 | C70 | C71 | H56 | 108.4° | 60.0° |
| C69 | C70 | C71 | H57 | 10.7° | 60.1° |
| C69 | C70 | H58 | H59 | 120.6° | 120.0° |
| C70 | C69 | H60 | H61 | 119.4° | 120.0° |
| C70 | C69 | C68 | H62 | 89.2° | 60.0° |
| C70 | C69 | C68 | H63 | 30.4° | 60.0° |
| C69 | C68 | C67 | H62 | 120.2° | 120.0° |
| C69 | C68 | C67 | H63 | 120.2° | 120.0° |
| C69 | C68 | C67 | C66 | 121.5° | 180.0° |
| C68 | C69 | C70 | H58 | 41.3° | 59.9° |
| C68 | C69 | C70 | H59 | 79.1° | 60.1° |
| C68 | C69 | H60 | H61 | 119.5° | 120.0° |
| C69 | C68 | H62 | H63 | 119.4° | 120.0° |
| C69 | C68 | C67 | H64 | 118.1° | 60.0° |
| C69 | C68 | C67 | H65 | 1.2° | 60.0° |
| C68 | C67 | C66 | H64 | 120.3° | 120.0° |
| C68 | C67 | C66 | H65 | 120.3° | 120.0° |
| C68 | C67 | C66 | C65 | 177.0° | 64.9° |
| C68 | C67 | C66 | C73 | 60.0° | 175.0° |
| C67 | C68 | C69 | H60 | 30.4° | 60.0° |
| C67 | C68 | C69 | H61 | 89.2° | 60.0° |
| C67 | C68 | H62 | H63 | 119.4° | 120.0° |
| C68 | C67 | H64 | H65 | 119.1° | 120.0° |
| C68 | C67 | C66 | H66 | 60.4° | 55.0° |
| C67 | C66 | C65 | C73 | 124.0° | 120.0° |
| C67 | C66 | C65 | H66 | 116.7° | 120.0° |
| C67 | C66 | C73 | H66 | 120.4° | 120.0° |
| C66 | C67 | C68 | H62 | 1.3° | 60.0° |
| C66 | C67 | C68 | H63 | 118.3° | 59.9° |
| C66 | C67 | H64 | H65 | 119.0° | 120.0° |
| C67 | C66 | C65 | H67 | 180.0° | 60.1° |
| C67 | C66 | C65 | H68 | 60.0° | 60.0° |
| C67 | C66 | C65 | H69 | 60.0° | 180.0° |
| C67 | C66 | C73 | H70 | 180.0° | 180.0° |
| C67 | C66 | C73 | H71 | 60.0° | 60.0° |
| C67 | C66 | C73 | H72 | 60.0° | 60.0° |
| C65 | C66 | C73 | H66 | 119.3° | 120.0° |
| C65 | C66 | C67 | H64 | 62.7° | 55.0° |
| C65 | C66 | C67 | H65 | 56.6° | 175.0° |
| C66 | C65 | H67 | H68 | 120.0° | 120.0° |
| C66 | C65 | H67 | H69 | 120.0° | 120.0° |
| C66 | C65 | H68 | H69 | 120.0° | 120.0° |
| C65 | C66 | C73 | H70 | 59.7° | 60.0° |
| C65 | C66 | C73 | H71 | 179.7° | 180.0° |
| C65 | C66 | C73 | H72 | 60.3° | 60.0° |
| C73 | C66 | C67 | H64 | 60.4° | 65.0° |
| C73 | C66 | C67 | H65 | 179.7° | 55.0° |
| C73 | C66 | C65 | H67 | 55.9° | 60.0° |
| C73 | C66 | C65 | H68 | 64.1° | 180.0° |
| C73 | C66 | C65 | H69 | 176.0° | 60.0° |
| C66 | C73 | H70 | H71 | 120.0° | 120.0° |
| C66 | C73 | H70 | H72 | 120.0° | 120.0° |
| C66 | C73 | H71 | H72 | 120.0° | 120.0° |
| H54 | C72 | C71 | H56 | 137.0° | 180.0° |
| H54 | C72 | C71 | H57 | 103.9° | 60.0° |
| H54 | C72 | C74 | N8 | 146.4° | 60.0° |
| H55 | C72 | C71 | H56 | 16.5° | 60.1° |
| H55 | C72 | C71 | H57 | 135.6° | 179.9° |
| H55 | C72 | C74 | N8 | 25.9° | 60.0° |
| H56 | C71 | C70 | H58 | 131.8° | 179.9° |
| H56 | C71 | C70 | H59 | 11.5° | 59.9° |
| H57 | C71 | C70 | H58 | 109.1° | 60.0° |
| H57 | C71 | C70 | H59 | 130.6° | 180.0° |
| H58 | C70 | C69 | H60 | 161.5° | 180.0° |
| H58 | C70 | C69 | H61 | 78.9° | 60.0° |
| H59 | C70 | C69 | H60 | 41.1° | 60.0° |
| H59 | C70 | C69 | H61 | 160.7° | NaN° |
| H60 | C69 | C68 | H62 | 150.6° | 179.9° |
| H60 | C69 | C68 | H63 | 89.8° | 60.0° |
| H61 | C69 | C68 | H62 | 31.0° | 59.9° |
| H61 | C69 | C68 | H63 | 150.6° | 180.0° |
| H62 | C68 | C67 | H64 | 121.6° | 180.0° |
| H62 | C68 | C67 | H65 | 119.0° | 60.0° |
| H63 | C68 | C67 | H64 | 2.1° | 60.0° |
| H63 | C68 | C67 | H65 | 121.4° | 180.0° |
| H64 | C67 | C66 | H66 | 179.3° | 174.9° |
| H65 | C67 | C66 | H66 | 60.0° | 65.1° |
| H66 | C66 | C65 | H67 | 63.4° | 180.0° |
| H66 | C66 | C65 | H68 | 176.7° | 60.0° |
| H66 | C66 | C65 | H69 | 56.7° | 60.0° |
| H66 | C66 | C73 | H70 | 59.6° | 60.0° |
| H66 | C66 | C73 | H71 | 60.4° | 60.0° |
| H66 | C66 | C73 | H72 | 179.6° | 180.0° |
| H67 | C65 | H68 | H69 | 120.0° | 120.0° |
| H70 | C73 | H71 | H72 | 120.0° | 120.1° |
| C76 | C75 | O26 | H73 | 119.8° | 120.0° |
| C76 | C75 | O26 | O14 | 119.9° | 120.0° |
| C76 | C75 | H73 | O14 | 119.9° | 120.0° |
| C75 | C76 | C77 | N9 | 127.9° | 119.9° |
| C75 | C76 | C77 | H74 | 115.3° | 119.9° |
| C75 | C76 | N9 | H74 | 117.8° | 120.1° |
| C75 | C76 | C77 | C78 | 53.0° | 57.0° |
| C75 | C76 | C77 | O24 | 170.9° | 176.8° |
| C75 | C76 | C77 | H75 | 67.7° | 62.9° |
| C76 | C75 | O26 | C79 | 64.5° | 61.1° |
| C75 | C76 | N9 | C81 | 107.9° | 98.1° |
| C75 | C76 | N9 | H83 | 72.1° | 81.9° |
| O26 | C75 | H73 | O14 | 119.5° | 120.0° |
| O26 | C75 | C76 | C77 | 58.9° | 57.6° |
| O26 | C75 | C76 | N9 | 174.8° | 177.5° |
| O26 | C75 | C76 | H74 | 56.5° | 62.3° |
| C75 | O26 | C79 | C78 | 63.5° | 61.1° |
| C75 | O26 | C79 | C80 | 174.9° | 178.8° |
| C75 | O26 | C79 | H77 | 55.6° | 58.9° |
| H73 | C75 | C76 | C77 | 61.7° | 62.4° |
| H73 | C75 | C76 | N9 | 64.5° | 57.6° |
| H73 | C75 | C76 | H74 | 177.1° | 177.7° |
| H73 | C75 | O26 | C79 | 55.3° | 58.8° |
| C77 | C76 | N9 | H74 | 116.3° | 120.2° |
| C76 | C77 | C78 | O24 | 115.6° | 119.8° |
| C76 | C77 | C78 | H75 | 120.8° | 119.9° |
| C76 | C77 | O24 | H75 | 120.4° | 120.2° |
| C76 | C77 | C78 | C79 | 53.1° | 57.0° |
| C76 | C77 | C78 | O25 | 171.7° | 176.9° |
| C76 | C77 | C78 | H76 | 68.0° | 62.8° |
| C77 | C76 | N9 | C81 | 126.3° | 142.3° |
| C77 | C76 | N9 | H83 | 53.8° | 37.7° |
| C76 | C77 | O24 | H84 | 180.0° | 180.0° |
| C77 | C76 | C75 | O14 | 178.2° | 177.6° |
| N9 | C76 | C77 | C78 | 179.1° | 176.9° |
| N9 | C76 | C77 | O24 | 61.3° | 63.3° |
| N9 | C76 | C77 | H75 | 60.2° | 57.0° |
| C76 | N9 | C81 | C82 | 179.5° | 175.9° |
| C76 | N9 | C81 | H83 | 180.0° | 180.0° |
| C76 | N9 | C81 | O28 | 1.0° | 4.1° |
| N9 | C76 | C75 | O14 | 55.5° | 62.5° |
| H74 | C76 | C77 | C78 | 62.3° | 62.9° |
| H74 | C76 | C77 | O24 | 55.5° | 57.0° |
| H74 | C76 | C77 | H75 | 177.0° | 177.2° |
| H74 | C76 | N9 | C81 | 9.9° | 22.1° |
| H74 | C76 | N9 | H83 | 170.1° | 157.9° |
| H74 | C76 | C75 | O14 | 62.8° | 57.7° |
| C78 | C77 | O24 | H75 | 122.6° | 120.2° |
| C77 | C78 | C79 | O25 | 116.3° | 119.9° |
| C77 | C78 | C79 | H76 | 121.2° | 119.8° |
| C77 | C78 | O25 | H76 | 119.1° | 120.2° |
| C77 | C78 | C79 | C80 | 178.4° | 177.6° |
| C77 | C78 | C79 | O26 | 58.1° | 57.6° |
| C77 | C78 | C79 | H77 | 61.9° | 62.4° |
| C78 | C77 | O24 | H84 | 62.9° | 60.4° |
| C77 | C78 | O25 | H85 | 180.0° | 179.9° |
| O24 | C77 | C78 | C79 | 168.6° | 176.8° |
| O24 | C77 | C78 | O25 | 72.8° | 63.2° |
| O24 | C77 | C78 | H76 | 47.5° | 57.0° |
| H75 | C77 | C78 | C79 | 67.7° | 63.0° |
| H75 | C77 | C78 | O25 | 50.9° | 57.0° |
| H75 | C77 | C78 | H76 | 171.2° | 177.2° |
| H75 | C77 | O24 | H84 | 59.7° | 59.8° |
| C79 | C78 | O25 | H76 | 121.2° | 120.2° |
| C78 | C79 | C80 | O26 | 120.2° | 120.0° |
| C78 | C79 | C80 | H77 | 119.5° | 120.0° |
| C78 | C79 | O26 | H77 | 119.1° | 120.0° |
| C78 | C79 | C80 | O27 | 59.6° | 175.0° |
| C78 | C79 | C80 | H78 | 179.8° | 54.9° |
| C78 | C79 | C80 | H79 | 60.6° | 65.0° |
| C79 | C78 | O25 | H85 | 60.3° | 60.3° |
| O25 | C78 | C79 | C80 | 65.3° | 62.5° |
| O25 | C78 | C79 | O26 | 174.4° | 177.5° |
| O25 | C78 | C79 | H77 | 54.4° | 57.5° |
| H76 | C78 | C79 | C80 | 57.2° | 57.8° |
| H76 | C78 | C79 | O26 | 63.1° | 62.3° |
| H76 | C78 | C79 | H77 | 176.8° | 177.7° |
| H76 | C78 | O25 | H85 | 60.9° | 59.9° |
| C80 | C79 | O26 | H77 | 119.3° | 120.0° |
| C79 | C80 | O27 | H78 | 120.2° | 120.1° |
| C79 | C80 | O27 | H79 | 120.2° | 120.0° |
| C79 | C80 | H78 | H79 | 119.5° | 119.9° |
| C79 | C80 | O27 | H86 | 180.0° | 180.0° |
| O26 | C79 | C80 | O27 | 60.6° | 65.0° |
| O26 | C79 | C80 | H78 | 59.5° | 174.9° |
| O26 | C79 | C80 | H79 | 179.2° | 55.0° |
| C79 | O26 | C75 | O14 | 175.6° | 178.9° |
| H77 | C79 | C80 | O27 | 179.1° | 55.0° |
| H77 | C79 | C80 | H78 | 60.7° | 65.1° |
| H77 | C79 | C80 | H79 | 58.9° | 175.0° |
| O27 | C80 | H78 | H79 | 119.5° | 120.0° |
| H78 | C80 | O27 | H86 | 59.9° | 59.9° |
| H79 | C80 | O27 | H86 | 59.8° | 60.1° |
| C82 | C81 | N9 | O28 | 178.5° | 180.0° |
| C81 | C82 | H80 | H81 | 120.0° | 120.0° |
| C81 | C82 | H80 | H82 | 120.0° | 120.0° |
| C81 | C82 | H81 | H82 | 120.0° | 120.0° |
| C82 | C81 | N9 | H83 | 0.4° | 4.1° |
| N9 | C81 | C82 | H80 | 178.6° | 84.7° |
| N9 | C81 | C82 | H81 | 61.4° | 155.3° |
| N9 | C81 | C82 | H82 | 58.6° | 35.3° |
| O28 | C81 | C82 | H80 | 0.0° | 95.3° |
| O28 | C81 | C82 | H81 | 120.0° | 24.7° |
| O28 | C81 | C82 | H82 | 120.0° | 144.6° |
| O28 | C81 | N9 | H83 | 178.9° | 175.9° |
| H80 | C82 | H81 | H82 | 120.0° | 120.0° |
| C84 | C83 | O32 | H87 | 122.8° | 120.0° |
| C84 | C83 | O32 | O15 | 114.4° | 120.0° |
| C84 | C83 | H87 | O15 | 113.8° | 120.0° |
| C83 | C84 | C85 | O29 | 122.7° | 119.9° |
| C83 | C84 | C85 | H88 | 119.9° | 119.9° |
| C83 | C84 | O29 | H88 | 119.4° | 120.2° |
| C83 | C84 | C85 | C86 | 51.3° | 57.0° |
| C83 | C84 | C85 | O30 | 173.9° | 176.8° |
| C83 | C84 | C85 | H89 | 65.9° | 62.9° |
| C84 | C83 | O32 | C87 | 44.6° | 61.1° |
| C83 | C84 | O29 | H94 | 180.0° | 60.0° |
| O32 | C83 | H87 | O15 | 121.9° | 120.0° |
| O32 | C83 | C84 | C85 | 49.2° | 57.6° |
| O32 | C83 | C84 | O29 | 70.3° | 62.3° |
| O32 | C83 | C84 | H88 | 169.2° | 177.5° |
| C83 | O32 | C87 | C86 | 42.9° | 61.1° |
| C83 | O32 | C87 | C88 | 158.8° | 178.9° |
| C83 | O32 | C87 | H91 | 83.3° | 58.9° |
| H87 | C83 | C84 | C85 | 173.0° | 177.7° |
| H87 | C83 | C84 | O29 | 53.6° | 57.8° |
| H87 | C83 | C84 | H88 | 66.9° | 62.5° |
| H87 | C83 | O32 | C87 | 167.3° | 178.9° |
| C85 | C84 | O29 | H88 | 116.2° | 120.1° |
| C84 | C85 | C86 | O30 | 122.3° | 119.9° |
| C84 | C85 | C86 | H89 | 117.3° | 119.9° |
| C84 | C85 | O30 | H89 | 119.6° | 120.3° |
| C84 | C85 | C86 | C87 | 48.8° | 57.0° |
| C84 | C85 | C86 | O31 | 168.9° | 176.9° |
| C84 | C85 | C86 | H90 | 71.9° | 62.9° |
| C85 | C84 | O29 | H94 | 55.6° | 179.7° |
| C84 | C85 | O30 | H95 | 180.0° | 60.1° |
| C85 | C84 | C83 | O15 | 68.6° | 62.4° |
| O29 | C84 | C85 | C86 | 71.4° | 62.9° |
| O29 | C84 | C85 | O30 | 51.2° | 56.9° |
| O29 | C84 | C85 | H89 | 171.4° | 177.2° |
| O29 | C84 | C83 | O15 | 171.9° | 177.7° |
| H88 | C84 | C85 | C86 | 171.3° | 176.9° |
| H88 | C84 | C85 | O30 | 66.1° | 63.3° |
| H88 | C84 | C85 | H89 | 54.1° | 57.0° |
| H88 | C84 | O29 | H94 | 60.6° | 60.2° |
| H88 | C84 | C83 | O15 | 51.4° | 57.5° |
| C86 | C85 | O30 | H89 | 119.8° | 120.2° |
| C85 | C86 | C87 | O31 | 120.8° | 119.9° |
| C85 | C86 | C87 | H90 | 120.6° | 119.9° |
| C85 | C86 | O31 | H90 | 118.1° | 120.1° |
| C85 | C86 | C87 | C88 | 157.5° | 177.6° |
| C85 | C86 | C87 | O32 | 44.5° | 57.6° |
| C85 | C86 | C87 | H91 | 82.6° | 62.4° |
| C86 | C85 | O30 | H95 | 59.4° | 179.6° |
| C85 | C86 | O31 | H96 | 180.0° | 60.0° |
| O30 | C85 | C86 | C87 | 171.0° | 176.8° |
| O30 | C85 | C86 | O31 | 68.8° | 63.3° |
| O30 | C85 | C86 | H90 | 50.3° | 56.9° |
| H89 | C85 | C86 | C87 | 68.5° | 62.9° |
| H89 | C85 | C86 | O31 | 51.6° | 57.0° |
| H89 | C85 | C86 | H90 | 170.8° | 177.2° |
| H89 | C85 | O30 | H95 | 60.4° | 60.2° |
| C87 | C86 | O31 | H90 | 117.7° | 120.2° |
| C86 | C87 | C88 | O32 | 120.8° | 120.0° |
| C86 | C87 | C88 | H91 | 120.0° | 120.0° |
| C86 | C87 | O32 | H91 | 126.2° | 120.0° |
| C86 | C87 | C88 | O33 | 117.1° | 175.0° |
| C86 | C87 | C88 | H92 | 2.2° | 55.0° |
| C86 | C87 | C88 | H93 | 123.6° | 65.0° |
| C87 | C86 | O31 | H96 | 55.8° | 179.7° |
| O31 | C86 | C87 | C88 | 81.7° | 62.5° |
| O31 | C86 | C87 | O32 | 165.3° | 177.5° |
| O31 | C86 | C87 | H91 | 38.1° | 57.5° |
| H90 | C86 | C87 | C88 | 37.0° | 57.7° |
| H90 | C86 | C87 | O32 | 76.1° | 62.3° |
| H90 | C86 | C87 | H91 | 156.8° | 177.7° |
| H90 | C86 | O31 | H96 | 61.9° | 60.1° |
| C88 | C87 | O32 | H91 | 117.8° | 120.0° |
| C87 | C88 | O33 | H92 | 119.3° | 120.0° |
| C87 | C88 | O33 | H93 | 119.3° | 119.9° |
| C87 | C88 | H92 | H93 | 122.0° | 119.9° |
| C87 | C88 | O33 | H97 | 180.0° | 180.0° |
| O32 | C87 | C88 | O33 | 122.1° | 65.0° |
| O32 | C87 | C88 | H92 | 118.6° | 175.0° |
| O32 | C87 | C88 | H93 | 2.8° | 55.0° |
| C87 | O32 | C83 | O15 | 69.9° | 58.9° |
| H91 | C87 | C88 | O33 | 2.9° | 55.0° |
| H91 | C87 | C88 | H92 | 122.2° | 65.0° |
| H91 | C87 | C88 | H93 | 116.4° | 175.0° |
| O33 | C88 | H92 | H93 | 122.0° | 120.1° |
| H92 | C88 | O33 | H97 | 60.6° | 60.0° |
| H93 | C88 | O33 | H97 | 60.7° | 60.0° |
