PRD_000209
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 | 1.56Å | |
| C1 | C3 | sing | 1.51Å | 1.53Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.24Å | |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | O2 | sing | 1.36Å | 1.36Å | |
| C6 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| O2 | H5 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| O3 | C9 | sing | 1.38Å | 1.41Å | |
| C9 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | CL1 | sing | 1.74Å | 1.72Å | |
| C11 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | C15 | sing | 1.50Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.50Å | 1.57Å | |
| C16 | N2 | sing | 1.47Å | 1.49Å | |
| C17 | O4 | doub | 1.21Å | 1.27Å | |
| 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 | 1.45Å | |
| O5 | C18 | sing | 1.35Å | 1.39Å | |
| C18 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | O6 | sing | 1.36Å | 44.22Å | |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.54Å | |
| C24 | C25 | sing | 1.48Å | 1.55Å | |
| C25 | O7 | doub | 1.23Å | 1.23Å | |
| 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 | 0.00Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| N4 | C26 | sing | 1.43Å | 1.50Å | |
| N4 | H21 | sing | 0.99Å | 1.00Å | |
| C26 | C27 | sing | 1.50Å | 1.53Å | |
| C26 | C28 | sing | 1.51Å | 1.58Å | |
| C26 | H22 | sing | 1.12Å | 1.10Å | |
| C27 | O8 | doub | 1.22Å | 1.22Å | |
| C28 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C33 | sing | 1.38Å | 1.43Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.42Å | Aromatic |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | O9 | sing | 1.36Å | 1.36Å | |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.44Å | Aromatic |
| C33 | H24 | sing | 1.08Å | 1.08Å | |
| N5 | C34 | sing | 1.45Å | 1.45Å | |
| N5 | H25 | sing | 0.98Å | 1.00Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | C36 | sing | 1.51Å | 1.56Å | |
| C34 | H26 | sing | 1.08Å | 1.10Å | |
| C35 | O10 | doub | 1.21Å | 1.24Å | |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C41 | sing | 1.38Å | 1.42Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C38 | C39 | doub | 1.42Å | 1.40Å | Aromatic |
| C39 | O11 | sing | 1.36Å | 1.37Å | |
| C39 | C40 | sing | 1.38Å | 1.43Å | Aromatic |
| O11 | H28 | sing | 0.97Å | 0.95Å | |
| C40 | C41 | doub | 1.38Å | 1.43Å | 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 | 1.42Å | |
| C45 | C43 | sing | 1.39Å | 1.40Å | Aromatic |
| C45 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C47 | doub | 1.38Å | 1.43Å | Aromatic |
| C47 | C46 | sing | 1.38Å | 1.42Å | Aromatic |
| C46 | C48 | doub | 1.39Å | 1.39Å | Aromatic |
| C46 | C49 | sing | 1.51Å | 1.58Å | |
| C48 | C44 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | CL2 | sing | 1.74Å | 1.73Å | |
| C50 | O13 | doub | 1.21Å | 1.23Å | |
| C50 | C42 | sing | 1.51Å | 1.55Å | |
| C42 | C49 | sing | 1.52Å | 1.53Å | |
| C49 | O14 | sing | 1.43Å | 1.40Å | |
| N6 | H31 | sing | 0.98Å | 1.00Å | |
| C42 | H32 | sing | 1.11Å | 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 | 1.42Å | 1.47Å | |
| O15 | C51 | sing | 1.36Å | 1.36Å | |
| C51 | C52 | sing | 1.41Å | 1.42Å | Aromatic |
| C51 | C53 | doub | 1.38Å | 1.38Å | Aromatic |
| C52 | C56 | doub | 1.40Å | 1.41Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.37Å | Aromatic |
| C54 | O16 | sing | 1.36Å | 1.36Å | |
| C54 | C55 | doub | 1.38Å | 1.39Å | Aromatic |
| C55 | C56 | sing | 1.40Å | 1.40Å | Aromatic |
| C56 | C57 | sing | 1.49Å | 1.54Å | |
| C57 | C58 | sing | 1.51Å | 1.53Å | |
| C58 | O17 | doub | 1.21Å | 1.46Å | |
| C58 | O18 | sing | 1.34Å | 1.40Å | |
| N7 | H37 | sing | 0.99Å | 1.00Å | |
| C57 | H38 | sing | 1.11Å | 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 | 1.56Å | |
| C59 | O22 | sing | 1.43Å | 1.47Å | |
| C59 | H43 | sing | 1.09Å | 1.10Å | |
| C60 | C61 | sing | 1.53Å | 1.53Å | |
| C60 | O19 | sing | 1.43Å | 1.44Å | |
| C60 | H44 | sing | 1.09Å | 1.10Å | |
| C61 | C62 | sing | 1.53Å | 1.56Å | |
| C61 | O20 | sing | 1.43Å | 1.45Å | |
| C61 | H45 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | sing | 1.53Å | 1.58Å | |
| C62 | O21 | sing | 1.43Å | 1.45Å | |
| C62 | H46 | sing | 1.09Å | 1.10Å | |
| C63 | C64 | sing | 1.53Å | 1.56Å | |
| C63 | O22 | sing | 1.43Å | 1.49Å | |
| C63 | H47 | sing | 1.09Å | 1.10Å | |
| C64 | O23 | sing | 1.43Å | 1.43Å | |
| C64 | H48 | sing | 1.09Å | 1.10Å | |
| C64 | H49 | sing | 1.09Å | 1.10Å | |
| O19 | H50 | sing | 0.97Å | 0.95Å | |
| O20 | H51 | sing | 0.97Å | 0.95Å | |
| O21 | H52 | sing | 0.97Å | 0.95Å | |
| O23 | H53 | sing | 0.97Å | 0.95Å | |
| C65 | C66 | sing | 1.53Å | 1.58Å | |
| C65 | O26 | sing | 1.43Å | 1.44Å | |
| C65 | H54 | sing | 1.09Å | 1.10Å | |
| C66 | C67 | sing | 1.53Å | 1.57Å | |
| C66 | N8 | sing | 1.47Å | 1.49Å | |
| C66 | H55 | sing | 1.09Å | 1.10Å | |
| C67 | C68 | sing | 1.53Å | 1.56Å | |
| C67 | O24 | sing | 1.43Å | 1.43Å | |
| C67 | H56 | sing | 1.09Å | 1.10Å | |
| C68 | C69 | sing | 1.53Å | 1.54Å | |
| C68 | O25 | sing | 1.43Å | 1.46Å | |
| C68 | H57 | sing | 1.09Å | 1.10Å | |
| C69 | C70 | sing | 1.53Å | 1.51Å | |
| C69 | O26 | sing | 1.43Å | 1.41Å | |
| C69 | H58 | sing | 1.09Å | 1.10Å | |
| C70 | O27 | sing | 1.43Å | 1.44Å | |
| C70 | H59 | sing | 1.09Å | 1.10Å | |
| C70 | H60 | sing | 1.09Å | 1.10Å | |
| C71 | C72 | sing | 1.51Å | 1.53Å | |
| C71 | N8 | sing | 1.35Å | 1.35Å | |
| C71 | O28 | doub | 1.21Å | 1.23Å | |
| C72 | H61 | sing | 1.09Å | 1.10Å | |
| C72 | H62 | sing | 1.09Å | 1.10Å | |
| C72 | H63 | sing | 1.09Å | 1.10Å | |
| N8 | H64 | sing | 0.97Å | 1.00Å | |
| O24 | H65 | sing | 0.97Å | 0.95Å | |
| O25 | H66 | sing | 0.97Å | 0.95Å | |
| O27 | H67 | sing | 0.97Å | 0.95Å | |
| C73 | C74 | sing | 1.53Å | 1.53Å | |
| C73 | O31 | sing | 1.43Å | 1.39Å | |
| C73 | H68 | sing | 1.09Å | 1.10Å | |
| C74 | C75 | sing | 1.53Å | 1.53Å | |
| C74 | N9 | sing | 1.46Å | 1.50Å | |
| C74 | H69 | sing | 1.09Å | 1.10Å | |
| C75 | C76 | sing | 1.53Å | 1.47Å | |
| C75 | O29 | sing | 1.43Å | 1.45Å | |
| C75 | H70 | sing | 1.09Å | 1.10Å | |
| C76 | C77 | sing | 1.53Å | 1.54Å | |
| C76 | O30 | sing | 1.43Å | 1.43Å | |
| C76 | H71 | sing | 1.09Å | 1.10Å | |
| C77 | C78 | sing | 1.53Å | 1.55Å | |
| C77 | O31 | sing | 1.43Å | 1.48Å | |
| C77 | H72 | sing | 1.09Å | 1.10Å | |
| C78 | O32 | sing | 1.43Å | 1.41Å | |
| C78 | H73 | sing | 1.09Å | 1.10Å | |
| C78 | H74 | sing | 1.09Å | 1.10Å | |
| N9 | H75 | sing | 0.97Å | 1.00Å | |
| O29 | H76 | sing | 0.97Å | 0.95Å | |
| O30 | H77 | sing | 0.97Å | 0.95Å | |
| O32 | H78 | sing | 0.97Å | 0.95Å | |
| C86 | C88 | sing | 1.51Å | 1.56Å | |
| C86 | C85 | sing | 1.53Å | 1.54Å | |
| C88 | O33 | doub | 1.21Å | 1.25Å | |
| C85 | C84 | sing | 1.53Å | 1.57Å | |
| C84 | C83 | sing | 1.53Å | 1.53Å | |
| C83 | C82 | sing | 1.53Å | 1.54Å | |
| C82 | C81 | sing | 1.53Å | 1.53Å | |
| C81 | C80 | sing | 1.53Å | 1.54Å | |
| C80 | C79 | sing | 1.53Å | 1.54Å | |
| C80 | C87 | sing | 1.53Å | 1.54Å | |
| C86 | H79 | sing | 1.09Å | 1.10Å | |
| C86 | H80 | sing | 1.09Å | 1.10Å | |
| C85 | H81 | sing | 1.09Å | 1.10Å | |
| C85 | H82 | sing | 1.09Å | 1.10Å | |
| C84 | H83 | sing | 1.09Å | 1.10Å | |
| C84 | H84 | sing | 1.09Å | 1.10Å | |
| C83 | H85 | sing | 1.09Å | 1.10Å | |
| C83 | H86 | sing | 1.09Å | 1.10Å | |
| C82 | H87 | sing | 1.09Å | 1.10Å | |
| C82 | H88 | sing | 1.09Å | 1.10Å | |
| C81 | H89 | sing | 1.09Å | 1.10Å | |
| C81 | H90 | sing | 1.09Å | 1.10Å | |
| C80 | H91 | sing | 1.09Å | 1.10Å | |
| C79 | H92 | sing | 1.09Å | 1.10Å | |
| C79 | H93 | sing | 1.09Å | 1.10Å | |
| C79 | H94 | sing | 1.09Å | 1.10Å | |
| C87 | H95 | sing | 1.09Å | 1.10Å | |
| C87 | H96 | sing | 1.09Å | 1.10Å | |
| C87 | H97 | sing | 1.09Å | 1.10Å | |
| C2 | N2 | sing | 1.34Å | 1.35Å | |
| C5 | O5 | sing | 1.36Å | 1.36Å | |
| O3 | C30 | sing | 1.38Å | 1.39Å | |
| C17 | N3 | sing | 1.34Å | 1.23Å | |
| C25 | N4 | sing | 1.32Å | 1.35Å | |
| C27 | N5 | sing | 1.34Å | 1.31Å | |
| C32 | O12 | sing | 1.38Å | 1.38Å | |
| C35 | N6 | sing | 1.33Å | 1.36Å | |
| C38 | C52 | sing | 1.47Å | 1.39Å | |
| C50 | N7 | sing | 1.32Å | 1.34Å | |
| O14 | C65 | sing | 1.43Å | 1.52Å | |
| O15 | C59 | sing | 1.43Å | 1.46Å | |
| O9 | C73 | sing | 1.43Å | 1.45Å | |
| N9 | C88 | sing | 1.35Å | 1.37Å |
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 | 110.7° | 109.2° |
| N1 | C1 | C3 | 106.9° | 109.2° |
| N1 | C1 | H3 | 112.0° | 109.1° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 105.1° | 110.8° |
| C2 | C1 | H3 | 110.7° | 109.2° |
| C1 | C2 | O1 | 119.1° | 119.5° |
| C1 | C2 | N2 | 114.2° | 120.7° |
| C3 | C1 | H3 | 111.1° | 109.4° |
| C1 | C3 | C4 | 119.7° | 121.2° |
| C1 | C3 | C8 | 120.3° | 118.7° |
| O1 | C2 | N2 | 126.7° | 119.8° |
| C4 | C3 | C8 | 119.9° | 120.1° |
| C3 | C4 | C5 | 119.3° | 120.0° |
| C3 | C4 | H4 | 120.3° | 120.2° |
| C3 | C8 | C7 | 120.8° | 120.3° |
| C3 | C8 | H7 | 119.6° | 119.8° |
| C5 | C4 | H4 | 120.4° | 119.7° |
| C4 | C5 | C6 | 120.7° | 119.7° |
| C4 | C5 | O5 | 119.5° | 121.1° |
| C5 | C6 | O2 | 120.7° | 119.9° |
| C5 | C6 | C7 | 119.4° | 120.3° |
| C6 | C5 | O5 | 119.8° | 119.2° |
| O2 | C6 | C7 | 119.9° | 119.8° |
| C6 | O2 | H5 | 109.5° | 114.0° |
| C6 | C7 | C8 | 119.9° | 119.6° |
| C6 | C7 | H6 | 120.1° | 120.3° |
| C8 | C7 | H6 | 120.1° | 120.1° |
| C7 | C8 | H7 | 119.6° | 119.9° |
| O3 | C9 | C10 | 115.1° | 122.8° |
| O3 | C9 | C12 | 120.6° | 116.9° |
| C9 | O3 | C30 | 112.4° | 103.1° |
| C10 | C9 | C12 | 124.2° | 120.3° |
| C9 | C10 | C11 | 118.6° | 118.9° |
| C9 | C10 | CL1 | 121.6° | 120.7° |
| C9 | C12 | C13 | 117.6° | 120.2° |
| C9 | C12 | H8 | 121.2° | 120.1° |
| C11 | C10 | CL1 | 119.8° | 120.4° |
| C10 | C11 | C14 | 117.0° | 120.5° |
| C10 | C11 | H9 | 121.5° | 119.5° |
| C11 | C14 | C13 | 125.4° | 119.9° |
| C11 | C14 | C15 | 116.9° | 120.5° |
| C14 | C11 | H9 | 121.5° | 120.0° |
| C12 | C13 | C14 | 117.0° | 119.4° |
| C13 | C12 | H8 | 121.2° | 119.7° |
| C12 | C13 | H10 | 121.5° | 120.5° |
| C13 | C14 | C15 | 117.5° | 119.5° |
| C14 | C13 | H10 | 121.5° | 120.1° |
| C14 | C15 | C16 | 104.4° | 109.4° |
| C14 | C15 | H11 | 110.7° | 109.8° |
| C14 | C15 | H12 | 110.7° | 109.5° |
| C15 | C16 | C17 | 108.3° | 112.4° |
| C15 | C16 | N2 | 123.1° | 107.2° |
| C16 | C15 | H11 | 110.7° | 109.7° |
| C16 | C15 | H12 | 110.7° | 109.5° |
| C15 | C16 | H13 | 105.8° | 108.8° |
| C17 | C16 | N2 | 106.7° | 109.1° |
| C16 | C17 | O4 | 130.7° | 119.1° |
| C17 | C16 | H13 | 105.4° | 109.7° |
| C16 | C17 | N3 | 102.0° | 122.7° |
| N2 | C16 | H13 | 106.3° | 109.7° |
| C16 | N2 | H14 | 113.7° | 119.2° |
| C16 | N2 | C2 | 132.7° | 121.5° |
| O4 | C17 | N3 | 127.2° | 118.2° |
| H11 | C15 | H12 | 109.5° | 109.1° |
| H14 | N2 | C2 | 113.6° | 119.3° |
| N3 | C24 | C23 | 109.9° | 108.3° |
| N3 | C24 | C25 | 118.4° | 113.5° |
| C24 | N3 | H15 | 116.3° | 118.9° |
| N3 | C24 | H16 | 104.5° | 107.5° |
| C24 | N3 | C17 | 127.4° | 123.2° |
| O5 | C18 | C19 | 123.3° | 119.5° |
| O5 | C18 | C20 | 119.4° | 120.6° |
| C18 | O5 | C5 | 114.6° | 120.0° |
| C19 | C18 | C20 | 117.3° | 119.8° |
| C18 | C19 | C23 | 119.9° | 120.4° |
| C18 | C19 | H17 | 120.1° | 118.7° |
| C18 | C20 | C21 | 122.4° | 119.7° |
| C18 | C20 | H18 | 118.8° | 120.3° |
| C19 | C23 | C22 | 122.5° | 119.9° |
| C19 | C23 | C24 | 118.2° | 119.5° |
| C23 | C19 | H17 | 120.1° | 120.9° |
| C20 | C21 | O6 | 38.9° | 119.9° |
| C20 | C21 | C22 | 120.6° | 120.1° |
| C21 | C20 | H18 | 118.8° | 120.0° |
| O6 | C21 | C22 | 146.5° | 119.9° |
| C21 | O6 | H19 | 90.0° | 114.0° |
| C21 | C22 | C23 | 117.4° | 120.1° |
| C21 | C22 | H20 | 121.3° | 119.9° |
| C22 | C23 | C24 | 119.4° | 120.7° |
| C23 | C22 | H20 | 121.3° | 120.0° |
| C23 | C24 | C25 | 114.8° | 111.1° |
| C23 | C24 | H16 | 103.6° | 107.2° |
| C24 | C25 | O7 | 123.1° | 115.4° |
| C25 | C24 | H16 | 103.6° | 109.0° |
| C24 | C25 | N4 | 112.2° | 130.7° |
| O7 | C25 | N4 | 124.7° | 113.9° |
| H15 | N3 | C17 | 116.3° | 118.0° |
| C26 | N4 | H21 | 117.9° | 116.1° |
| N4 | C26 | C27 | 113.7° | 113.8° |
| N4 | C26 | C28 | 115.4° | 113.4° |
| N4 | C26 | H22 | 107.8° | 107.1° |
| C26 | N4 | C25 | 124.2° | 128.6° |
| H21 | N4 | C25 | 117.9° | 115.4° |
| C27 | C26 | C28 | 105.1° | 110.0° |
| C27 | C26 | H22 | 107.4° | 106.2° |
| C26 | C27 | O8 | 125.1° | 118.7° |
| C26 | C27 | N5 | 111.9° | 122.2° |
| C28 | C26 | H22 | 106.8° | 105.7° |
| C26 | C28 | C29 | 119.5° | 120.6° |
| C26 | C28 | C33 | 122.2° | 121.1° |
| O8 | C27 | N5 | 122.9° | 119.0° |
| C29 | C28 | C33 | 117.8° | 118.3° |
| C28 | C29 | C30 | 121.2° | 120.7° |
| C28 | C29 | H23 | 119.4° | 119.4° |
| C28 | C33 | C32 | 120.5° | 120.2° |
| C28 | C33 | H24 | 119.8° | 120.1° |
| C30 | C29 | H23 | 119.4° | 119.9° |
| C29 | C30 | C31 | 119.0° | 121.4° |
| C29 | C30 | O3 | 120.5° | 115.7° |
| C30 | C31 | O9 | 123.0° | 121.4° |
| C30 | C31 | C32 | 122.9° | 117.3° |
| C31 | C30 | O3 | 120.4° | 122.9° |
| O9 | C31 | C32 | 113.9° | 121.4° |
| C31 | O9 | C73 | 116.5° | 117.0° |
| C31 | C32 | C33 | 118.0° | 122.1° |
| C31 | C32 | O12 | 117.9° | 121.9° |
| C32 | C33 | H24 | 119.8° | 119.6° |
| C33 | C32 | O12 | 124.1° | 116.0° |
| C34 | N5 | H25 | 118.6° | 118.4° |
| N5 | C34 | C35 | 104.7° | 108.5° |
| N5 | C34 | C36 | 116.2° | 113.8° |
| N5 | C34 | H26 | 110.3° | 112.0° |
| C34 | N5 | C27 | 122.9° | 123.8° |
| H25 | N5 | C27 | 118.5° | 117.8° |
| C35 | C34 | C36 | 107.3° | 101.9° |
| C35 | C34 | H26 | 109.2° | 109.5° |
| C34 | C35 | O10 | 117.5° | 119.8° |
| C34 | C35 | N6 | 120.0° | 116.2° |
| C36 | C34 | H26 | 108.8° | 110.6° |
| C34 | C36 | C37 | 113.1° | 119.4° |
| C34 | C36 | C41 | 126.6° | 120.5° |
| O10 | C35 | N6 | 122.5° | 124.0° |
| C37 | C36 | C41 | 120.3° | 120.1° |
| C36 | C37 | C38 | 122.1° | 121.3° |
| C36 | C37 | H27 | 118.9° | 119.2° |
| C36 | C41 | C40 | 118.5° | 119.9° |
| C36 | C41 | H30 | 120.7° | 120.3° |
| C38 | C37 | H27 | 118.9° | 119.5° |
| C37 | C38 | C39 | 119.1° | 118.1° |
| C37 | C38 | C52 | 113.0° | 125.8° |
| C38 | C39 | O11 | 118.0° | 121.0° |
| C38 | C39 | C40 | 120.7° | 119.9° |
| C39 | C38 | C52 | 127.8° | 116.1° |
| O11 | C39 | C40 | 121.3° | 119.1° |
| C39 | O11 | H28 | 109.5° | 113.9° |
| C39 | C40 | C41 | 119.2° | 120.6° |
| C39 | C40 | H29 | 120.4° | 119.6° |
| C41 | C40 | H29 | 120.4° | 119.8° |
| C40 | C41 | H30 | 120.7° | 119.8° |
| N6 | C42 | C50 | 106.5° | 109.0° |
| N6 | C42 | C49 | 109.3° | 112.2° |
| C42 | N6 | H31 | 114.1° | 116.1° |
| N6 | C42 | H32 | 107.5° | 108.4° |
| C42 | N6 | C35 | 131.7° | 127.6° |
| O12 | C45 | C43 | 121.1° | 116.8° |
| O12 | C45 | C44 | 120.6° | 123.2° |
| C45 | O12 | C32 | 115.1° | 104.8° |
| C43 | C45 | C44 | 118.3° | 120.0° |
| C45 | C43 | C47 | 118.6° | 120.5° |
| C45 | C43 | H33 | 120.7° | 120.1° |
| C45 | C44 | C48 | 123.4° | 119.1° |
| C45 | C44 | CL2 | 121.8° | 120.4° |
| C43 | C47 | C46 | 121.8° | 119.6° |
| C47 | C43 | H33 | 120.7° | 119.5° |
| C43 | C47 | H34 | 119.1° | 119.8° |
| C47 | C46 | C48 | 118.0° | 119.5° |
| C47 | C46 | C49 | 124.6° | 120.4° |
| C46 | C47 | H34 | 119.1° | 120.6° |
| C48 | C46 | C49 | 117.2° | 120.1° |
| C46 | C48 | C44 | 119.8° | 120.9° |
| C46 | C48 | H35 | 120.1° | 119.6° |
| C46 | C49 | C42 | 93.4° | 108.7° |
| C46 | C49 | O14 | 113.8° | 109.7° |
| C46 | C49 | H36 | 113.0° | 109.1° |
| C48 | C44 | CL2 | 114.8° | 120.4° |
| C44 | C48 | H35 | 120.1° | 119.5° |
| O13 | C50 | C42 | 119.9° | 115.2° |
| O13 | C50 | N7 | 125.0° | 120.6° |
| C50 | C42 | C49 | 119.1° | 112.4° |
| C50 | C42 | H32 | 106.8° | 107.3° |
| C42 | C50 | N7 | 114.6° | 124.1° |
| C42 | C49 | O14 | 103.8° | 110.4° |
| C49 | C42 | H32 | 107.1° | 107.4° |
| C42 | C49 | H36 | 113.8° | 109.8° |
| O14 | C49 | H36 | 116.3° | 109.1° |
| C49 | O14 | C65 | 126.8° | 114.0° |
| H31 | N6 | C35 | 114.2° | 116.3° |
| N7 | C57 | C56 | 108.8° | 123.8° |
| N7 | C57 | C58 | 118.4° | 109.7° |
| C57 | N7 | H37 | 118.1° | 115.0° |
| N7 | C57 | H38 | 108.2° | 104.8° |
| C57 | N7 | C50 | 123.7° | 130.9° |
| O15 | C51 | C52 | 122.5° | 120.1° |
| O15 | C51 | C53 | 117.0° | 117.7° |
| C51 | O15 | C59 | 113.8° | 117.0° |
| C52 | C51 | C53 | 120.5° | 122.2° |
| C51 | C52 | C56 | 119.1° | 118.8° |
| C51 | C52 | C38 | 117.9° | 115.3° |
| C51 | C53 | C54 | 119.8° | 118.8° |
| C51 | C53 | H39 | 120.1° | 120.5° |
| C52 | C56 | C55 | 119.2° | 118.2° |
| C52 | C56 | C57 | 123.1° | 128.6° |
| C56 | C52 | C38 | 122.7° | 125.9° |
| C53 | C54 | O16 | 116.7° | 120.1° |
| C53 | C54 | C55 | 121.6° | 120.0° |
| C54 | C53 | H39 | 120.1° | 120.7° |
| O16 | C54 | C55 | 121.7° | 120.0° |
| C54 | O16 | H40 | 109.5° | 114.0° |
| C54 | C55 | C56 | 119.8° | 122.0° |
| C54 | C55 | H41 | 120.1° | 117.9° |
| C55 | C56 | C57 | 117.7° | 113.2° |
| C56 | C55 | H41 | 120.1° | 120.1° |
| C56 | C57 | C58 | 106.2° | 107.8° |
| C56 | C57 | H38 | 107.3° | 104.5° |
| C57 | C58 | O17 | 107.6° | 120.0° |
| C57 | C58 | O18 | 115.4° | 120.0° |
| C58 | C57 | H38 | 107.5° | 104.4° |
| O17 | C58 | O18 | 111.8° | 119.9° |
| C58 | O18 | H42 | 109.5° | 117.0° |
| H37 | N7 | C50 | 118.1° | 114.0° |
| C60 | C59 | O22 | 114.3° | 109.4° |
| C60 | C59 | H43 | 106.3° | 109.5° |
| C59 | C60 | C61 | 108.4° | 109.1° |
| C59 | C60 | O19 | 111.5° | 109.5° |
| C59 | C60 | H44 | 108.9° | 109.5° |
| C60 | C59 | O15 | 115.1° | 109.5° |
| O22 | C59 | H43 | 107.3° | 109.5° |
| C59 | O22 | C63 | 118.4° | 114.1° |
| O22 | C59 | O15 | 105.7° | 109.5° |
| H43 | C59 | O15 | 107.5° | 109.5° |
| C61 | C60 | O19 | 108.0° | 109.6° |
| C61 | C60 | H44 | 109.3° | 109.5° |
| C60 | C61 | C62 | 107.1° | 109.0° |
| C60 | C61 | O20 | 111.7° | 109.5° |
| C60 | C61 | H45 | 107.8° | 109.6° |
| O19 | C60 | H44 | 110.6° | 109.6° |
| C60 | O19 | H50 | 109.5° | 114.0° |
| C62 | C61 | O20 | 113.8° | 109.6° |
| C62 | C61 | H45 | 107.4° | 109.6° |
| C61 | C62 | C63 | 110.8° | 109.2° |
| C61 | C62 | O21 | 112.3° | 109.5° |
| C61 | C62 | H46 | 107.1° | 109.5° |
| O20 | C61 | H45 | 108.8° | 109.6° |
| C61 | O20 | H51 | 109.5° | 114.1° |
| C63 | C62 | O21 | 110.9° | 109.6° |
| C63 | C62 | H46 | 107.0° | 109.5° |
| C62 | C63 | C64 | 110.9° | 109.5° |
| C62 | C63 | O22 | 117.6° | 109.4° |
| C62 | C63 | H47 | 105.5° | 109.5° |
| O21 | C62 | H46 | 108.4° | 109.5° |
| C62 | O21 | H52 | 109.5° | 114.0° |
| C64 | C63 | O22 | 109.8° | 109.5° |
| C64 | C63 | H47 | 105.7° | 109.5° |
| C63 | C64 | O23 | 111.1° | 109.5° |
| C63 | C64 | H48 | 109.1° | 109.4° |
| C63 | C64 | H49 | 109.1° | 109.5° |
| O22 | C63 | H47 | 106.5° | 109.4° |
| O23 | C64 | H48 | 109.0° | 109.4° |
| O23 | C64 | H49 | 109.1° | 109.5° |
| C64 | O23 | H53 | 109.5° | 114.1° |
| H48 | C64 | H49 | 109.5° | 109.5° |
| C66 | C65 | O26 | 110.0° | 109.4° |
| C66 | C65 | H54 | 103.7° | 109.5° |
| C65 | C66 | C67 | 112.8° | 109.2° |
| C65 | C66 | N8 | 112.1° | 109.5° |
| C65 | C66 | H55 | 106.9° | 109.5° |
| C66 | C65 | O14 | 124.3° | 109.5° |
| O26 | C65 | H54 | 105.0° | 109.4° |
| C65 | O26 | C69 | 111.7° | 114.1° |
| O26 | C65 | O14 | 107.8° | 109.5° |
| H54 | C65 | O14 | 104.2° | 109.5° |
| C67 | C66 | N8 | 109.6° | 109.5° |
| C67 | C66 | H55 | 107.1° | 109.5° |
| C66 | C67 | C68 | 113.2° | 109.0° |
| C66 | C67 | O24 | 109.4° | 109.6° |
| C66 | C67 | H56 | 107.8° | 109.5° |
| N8 | C66 | H55 | 108.0° | 109.5° |
| C66 | N8 | C71 | 122.2° | 120.0° |
| C66 | N8 | H64 | 118.9° | 120.0° |
| C68 | C67 | O24 | 108.9° | 109.6° |
| C68 | C67 | H56 | 107.9° | 109.5° |
| C67 | C68 | C69 | 109.6° | 109.2° |
| C67 | C68 | O25 | 113.3° | 109.5° |
| C67 | C68 | H57 | 107.0° | 109.6° |
| O24 | C67 | H56 | 109.6° | 109.6° |
| C67 | O24 | H65 | 109.5° | 114.0° |
| C69 | C68 | O25 | 111.2° | 109.5° |
| C69 | C68 | H57 | 107.3° | 109.5° |
| C68 | C69 | C70 | 112.6° | 109.5° |
| C68 | C69 | O26 | 103.3° | 109.4° |
| C68 | C69 | H58 | 111.9° | 109.5° |
| O25 | C68 | H57 | 108.2° | 109.5° |
| C68 | O25 | H66 | 109.5° | 114.0° |
| C70 | C69 | O26 | 102.1° | 109.5° |
| C70 | C69 | H58 | 112.4° | 109.5° |
| C69 | C70 | O27 | 110.0° | 109.5° |
| C69 | C70 | H59 | 109.3° | 109.4° |
| C69 | C70 | H60 | 109.3° | 109.5° |
| O26 | C69 | H58 | 114.0° | 109.5° |
| O27 | C70 | H59 | 109.3° | 109.4° |
| O27 | C70 | H60 | 109.4° | 109.5° |
| C70 | O27 | H67 | 109.5° | 114.0° |
| H59 | C70 | H60 | 109.4° | 109.5° |
| C72 | C71 | N8 | 115.8° | 120.0° |
| C72 | C71 | O28 | 118.5° | 120.0° |
| C71 | C72 | H61 | 109.5° | 109.5° |
| C71 | C72 | H62 | 109.5° | 109.5° |
| C71 | C72 | H63 | 109.5° | 109.5° |
| N8 | C71 | O28 | 125.7° | 120.0° |
| C71 | N8 | H64 | 118.9° | 120.0° |
| H61 | C72 | H62 | 109.5° | 109.5° |
| H61 | C72 | H63 | 109.5° | 109.5° |
| H62 | C72 | H63 | 109.5° | 109.4° |
| C74 | C73 | O31 | 101.1° | 109.4° |
| C74 | C73 | H68 | 113.2° | 109.5° |
| C73 | C74 | C75 | 112.0° | 109.1° |
| C73 | C74 | N9 | 107.6° | 109.5° |
| C73 | C74 | H69 | 109.1° | 109.5° |
| C74 | C73 | O9 | 107.1° | 109.5° |
| O31 | C73 | H68 | 115.7° | 109.5° |
| C73 | O31 | C77 | 114.8° | 114.1° |
| O31 | C73 | O9 | 103.8° | 109.4° |
| H68 | C73 | O9 | 114.7° | 109.5° |
| C75 | C74 | N9 | 109.3° | 109.5° |
| C75 | C74 | H69 | 109.2° | 109.5° |
| C74 | C75 | C76 | 105.8° | 109.1° |
| C74 | C75 | O29 | 103.7° | 109.6° |
| C74 | C75 | H70 | 112.6° | 109.5° |
| N9 | C74 | H69 | 109.6° | 109.6° |
| C74 | N9 | H75 | 119.2° | 120.0° |
| C74 | N9 | C88 | 121.7° | 120.0° |
| C76 | C75 | O29 | 106.6° | 109.6° |
| C76 | C75 | H70 | 113.5° | 109.5° |
| C75 | C76 | C77 | 112.9° | 109.2° |
| C75 | C76 | O30 | 103.1° | 109.5° |
| C75 | C76 | H71 | 112.0° | 109.5° |
| O29 | C75 | H70 | 113.8° | 109.6° |
| C75 | O29 | H76 | 109.5° | 114.0° |
| C77 | C76 | O30 | 104.5° | 109.5° |
| C77 | C76 | H71 | 111.1° | 109.5° |
| C76 | C77 | C78 | 118.4° | 109.5° |
| C76 | C77 | O31 | 104.2° | 109.4° |
| C76 | C77 | H72 | 107.8° | 109.5° |
| O30 | C76 | H71 | 112.7° | 109.6° |
| C76 | O30 | H77 | 109.5° | 114.0° |
| C78 | C77 | O31 | 110.0° | 109.5° |
| C78 | C77 | H72 | 107.7° | 109.5° |
| C77 | C78 | O32 | 107.3° | 109.5° |
| C77 | C78 | H73 | 110.0° | 109.5° |
| C77 | C78 | H74 | 110.0° | 109.5° |
| O31 | C77 | H72 | 108.5° | 109.5° |
| O32 | C78 | H73 | 110.0° | 109.5° |
| O32 | C78 | H74 | 110.0° | 109.5° |
| C78 | O32 | H78 | 109.5° | 114.0° |
| H73 | C78 | H74 | 109.5° | 109.5° |
| H75 | N9 | C88 | 119.1° | 120.0° |
| C88 | C86 | C85 | 115.5° | 109.5° |
| C86 | C88 | O33 | 117.5° | 120.0° |
| C88 | C86 | H79 | 107.9° | 109.5° |
| C88 | C86 | H80 | 108.0° | 109.5° |
| C86 | C88 | N9 | 117.0° | 120.0° |
| C86 | C85 | C84 | 115.5° | 109.5° |
| C85 | C86 | H79 | 108.0° | 109.4° |
| C85 | C86 | H80 | 107.9° | 109.5° |
| C86 | C85 | H81 | 107.9° | 109.5° |
| C86 | C85 | H82 | 108.0° | 109.5° |
| O33 | C88 | N9 | 125.5° | 120.0° |
| C85 | C84 | C83 | 103.0° | 109.5° |
| C84 | C85 | H81 | 107.9° | 109.5° |
| C84 | C85 | H82 | 107.9° | 109.5° |
| C85 | C84 | H83 | 111.1° | 109.5° |
| C85 | C84 | H84 | 111.1° | 109.4° |
| C84 | C83 | C82 | 118.2° | 109.5° |
| C83 | C84 | H83 | 111.1° | 109.5° |
| C83 | C84 | H84 | 111.0° | 109.5° |
| C84 | C83 | H85 | 107.2° | 109.5° |
| C84 | C83 | H86 | 107.2° | 109.4° |
| C83 | C82 | C81 | 99.1° | 109.5° |
| C82 | C83 | H85 | 107.2° | 109.5° |
| C82 | C83 | H86 | 107.2° | 109.4° |
| C83 | C82 | H87 | 112.0° | 109.5° |
| C83 | C82 | H88 | 112.0° | 109.5° |
| C82 | C81 | C80 | 119.5° | 109.5° |
| C81 | C82 | H87 | 112.0° | 109.5° |
| C81 | C82 | H88 | 112.0° | 109.5° |
| C82 | C81 | H89 | 106.9° | 109.5° |
| C82 | C81 | H90 | 106.9° | 109.4° |
| C81 | C80 | C79 | 113.6° | 109.4° |
| C81 | C80 | C87 | 114.5° | 109.5° |
| C80 | C81 | H89 | 106.9° | 109.5° |
| C80 | C81 | H90 | 106.9° | 109.5° |
| C81 | C80 | H91 | 104.5° | 109.5° |
| C79 | C80 | C87 | 113.8° | 109.4° |
| C79 | C80 | H91 | 104.5° | 109.5° |
| C80 | C79 | H92 | 109.5° | 109.5° |
| C80 | C79 | H93 | 109.5° | 109.5° |
| C80 | C79 | H94 | 109.5° | 109.5° |
| C87 | C80 | H91 | 104.5° | 109.5° |
| C80 | C87 | H95 | 109.5° | 109.5° |
| C80 | C87 | H96 | 109.4° | 109.5° |
| C80 | C87 | H97 | 109.5° | 109.5° |
| H79 | C86 | H80 | 109.5° | 109.5° |
| H81 | C85 | H82 | 109.5° | 109.4° |
| H83 | C84 | H84 | 109.5° | 109.5° |
| H85 | C83 | H86 | 109.5° | 109.5° |
| H87 | C82 | H88 | 109.4° | 109.4° |
| H89 | C81 | H90 | 109.5° | 109.5° |
| H92 | C79 | H93 | 109.5° | 109.5° |
| H92 | C79 | H94 | 109.5° | 109.5° |
| H93 | C79 | H94 | 109.4° | 109.4° |
| H95 | C87 | H96 | 109.5° | 109.5° |
| H95 | C87 | H97 | 109.5° | 109.5° |
| H96 | C87 | H97 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C1 | C2 | C3 | 115.1° | 120.3° |
| N1 | C1 | C2 | H3 | 124.8° | 119.2° |
| N1 | C1 | C3 | H3 | 122.5° | 119.3° |
| N1 | C1 | C2 | O1 | 14.7° | 1.5° |
| N1 | C1 | C3 | C4 | 148.8° | 115.2° |
| N1 | C1 | C3 | C8 | 33.9° | 64.5° |
| N1 | C1 | C2 | N2 | 165.9° | 178.3° |
| H1 | N1 | C1 | C2 | 180.0° | 60.0° |
| H1 | N1 | C1 | C3 | 66.1° | 178.7° |
| H1 | N1 | C1 | H3 | 55.9° | 59.3° |
| H2 | N1 | C1 | C2 | 60.0° | 176.0° |
| H2 | N1 | C1 | C3 | 53.9° | 54.7° |
| H2 | N1 | C1 | H3 | 175.9° | 64.7° |
| C2 | C1 | C3 | H3 | 119.8° | 120.5° |
| C1 | C2 | O1 | N2 | 179.4° | 179.8° |
| C2 | C1 | C3 | C4 | 93.6° | 5.0° |
| C2 | C1 | C3 | C8 | 83.7° | 175.3° |
| C1 | C2 | N2 | C16 | 171.5° | 174.3° |
| C1 | C2 | N2 | H14 | 8.5° | 5.6° |
| C3 | C1 | C2 | O1 | 100.4° | 121.7° |
| C1 | C3 | C4 | C8 | 177.3° | 179.7° |
| C1 | C3 | C4 | C5 | 178.0° | 179.6° |
| C1 | C3 | C4 | H4 | 2.0° | 1.3° |
| C1 | C3 | C8 | C7 | 178.0° | 179.7° |
| C1 | C3 | C8 | H7 | 2.0° | 0.5° |
| C3 | C1 | C2 | N2 | 79.0° | 58.0° |
| H3 | C1 | C2 | O1 | 139.5° | 117.7° |
| H3 | C1 | C3 | C4 | 26.2° | 125.5° |
| H3 | C1 | C3 | C8 | 156.4° | 54.8° |
| H3 | C1 | C2 | N2 | 41.0° | 62.5° |
| O1 | C2 | N2 | C16 | 7.9° | 5.9° |
| O1 | C2 | N2 | H14 | 172.1° | 174.2° |
| C3 | C4 | C5 | H4 | 180.0° | 179.2° |
| C3 | C4 | C5 | C6 | 0.0° | 1.0° |
| C4 | C3 | C8 | C7 | 0.7° | 0.0° |
| C4 | C3 | C8 | H7 | 179.3° | 179.8° |
| C3 | C4 | C5 | O5 | 179.9° | 178.3° |
| C8 | C3 | C4 | C5 | 0.7° | 0.7° |
| C8 | C3 | C4 | H4 | 179.3° | 178.4° |
| C3 | C8 | C7 | C6 | 0.0° | 0.5° |
| C3 | C8 | C7 | H7 | 180.0° | 179.8° |
| C3 | C8 | C7 | H6 | 180.0° | 179.1° |
| C4 | C5 | C6 | O5 | 179.9° | 179.4° |
| C4 | C5 | C6 | O2 | 179.1° | 179.5° |
| C4 | C5 | C6 | C7 | 0.6° | 0.6° |
| C4 | C5 | O5 | C18 | 64.3° | 33.4° |
| H4 | C4 | C5 | C6 | 180.0° | 178.1° |
| H4 | C4 | C5 | O5 | 0.1° | 2.5° |
| C5 | C6 | O2 | C7 | 178.4° | 180.0° |
| C5 | C6 | O2 | H5 | 180.0° | 90.0° |
| C5 | C6 | C7 | C8 | 0.7° | 0.2° |
| C5 | C6 | C7 | H6 | 179.3° | 179.4° |
| C6 | C5 | O5 | C18 | 115.7° | 147.3° |
| O2 | C6 | C7 | C8 | 179.1° | 179.8° |
| O2 | C6 | C7 | H6 | 0.9° | 0.6° |
| O2 | C6 | C5 | O5 | 1.0° | 1.2° |
| C7 | C6 | O2 | H5 | 1.6° | 90.0° |
| C6 | C7 | C8 | H6 | 180.0° | 179.6° |
| C6 | C7 | C8 | H7 | 180.0° | 179.3° |
| C7 | C6 | C5 | O5 | 179.4° | 178.8° |
| H6 | C7 | C8 | H7 | 0.0° | 1.1° |
| O3 | C9 | C10 | C12 | 176.5° | 179.0° |
| O3 | C9 | C10 | C11 | 175.7° | 173.5° |
| O3 | C9 | C10 | CL1 | 4.2° | 6.6° |
| O3 | C9 | C12 | C13 | 177.7° | 173.1° |
| O3 | C9 | C12 | H8 | 2.3° | 7.2° |
| C9 | O3 | C30 | C29 | 45.3° | 43.4° |
| C9 | O3 | C30 | C31 | 136.0° | 135.4° |
| C9 | C10 | C11 | CL1 | 179.9° | 179.9° |
| C9 | C10 | C11 | C14 | 2.9° | 0.1° |
| C10 | C9 | C12 | C13 | 1.4° | 7.9° |
| C10 | C9 | C12 | H8 | 178.5° | 171.8° |
| C9 | C10 | C11 | H9 | 177.1° | 179.8° |
| C10 | C9 | O3 | C30 | 126.8° | 143.6° |
| C12 | C9 | C10 | C11 | 0.7° | 7.5° |
| C12 | C9 | C10 | CL1 | 179.4° | 172.4° |
| C9 | C12 | C13 | H8 | 180.0° | 179.7° |
| C9 | C12 | C13 | C14 | 1.3° | 0.7° |
| C9 | C12 | C13 | H10 | 178.7° | 179.7° |
| C12 | C9 | O3 | C30 | 49.8° | 37.4° |
| C10 | C11 | C14 | H9 | 180.0° | 179.9° |
| C10 | C11 | C14 | C13 | 3.1° | 7.0° |
| C10 | C11 | C14 | C15 | 178.3° | 169.5° |
| CL1 | C10 | C11 | C14 | 177.2° | 179.8° |
| CL1 | C10 | C11 | H9 | 2.8° | 0.3° |
| C11 | C14 | C13 | C12 | 1.0° | 6.6° |
| C11 | C14 | C13 | C15 | 175.2° | 176.5° |
| C11 | C14 | C15 | C16 | 68.4° | 61.7° |
| C11 | C14 | C13 | H10 | 179.0° | 172.9° |
| C11 | C14 | C15 | H11 | 50.8° | 177.9° |
| C11 | C14 | C15 | H12 | 172.4° | 58.2° |
| C12 | C13 | C14 | H10 | 180.0° | 179.6° |
| C12 | C13 | C14 | C15 | 176.2° | 169.9° |
| C13 | C14 | C15 | C16 | 107.1° | 114.8° |
| C14 | C13 | C12 | H8 | 178.7° | 179.0° |
| C13 | C14 | C11 | H9 | 176.9° | 173.1° |
| C13 | C14 | C15 | H11 | 133.7° | 5.6° |
| C13 | C14 | C15 | H12 | 12.1° | 125.3° |
| C14 | C15 | C16 | H11 | 119.2° | 120.5° |
| C14 | C15 | C16 | H12 | 119.2° | 119.9° |
| C14 | C15 | C16 | C17 | 60.4° | 28.1° |
| C14 | C15 | C16 | N2 | 174.4° | 91.7° |
| C15 | C14 | C11 | H9 | 1.7° | 10.5° |
| C15 | C14 | C13 | H10 | 3.8° | 10.6° |
| C14 | C15 | H11 | H12 | 122.3° | 119.9° |
| C14 | C15 | C16 | H13 | 52.2° | 149.7° |
| C15 | C16 | C17 | N2 | 134.4° | 118.7° |
| C15 | C16 | C17 | H13 | 112.9° | 121.2° |
| C15 | C16 | N2 | H13 | 122.0° | 117.9° |
| C15 | C16 | C17 | O4 | 51.6° | 58.3° |
| C16 | C15 | H11 | H12 | 122.3° | 119.9° |
| C15 | C16 | N2 | H14 | 99.1° | 62.5° |
| C15 | C16 | N2 | C2 | 81.0° | 117.4° |
| C15 | C16 | C17 | N3 | 125.1° | 121.8° |
| C17 | C16 | N2 | H13 | 112.1° | 120.1° |
| C16 | C17 | O4 | N3 | 175.9° | 179.9° |
| C17 | C16 | C15 | H11 | 179.6° | 92.4° |
| C17 | C16 | C15 | H12 | 58.8° | 148.0° |
| C17 | C16 | N2 | H14 | 26.8° | 59.5° |
| C16 | C17 | N3 | C24 | 176.9° | 160.1° |
| C16 | C17 | N3 | H15 | 3.1° | 19.5° |
| C17 | C16 | N2 | C2 | 153.1° | 120.6° |
| N2 | C16 | C17 | O4 | 82.8° | 60.4° |
| N2 | C16 | C15 | H11 | 55.2° | 147.8° |
| N2 | C16 | C15 | H12 | 66.4° | 28.2° |
| C16 | N2 | H14 | C2 | 180.0° | 179.9° |
| N2 | C16 | C17 | N3 | 100.6° | 119.5° |
| O4 | C17 | C16 | H13 | 164.5° | 179.5° |
| O4 | C17 | N3 | C24 | 6.3° | 19.8° |
| O4 | C17 | N3 | H15 | 173.7° | 160.6° |
| H8 | C12 | C13 | H10 | 1.3° | 0.6° |
| H11 | C15 | C16 | H13 | 67.0° | 29.3° |
| H12 | C15 | C16 | H13 | 171.4° | 90.3° |
| H13 | C16 | N2 | H14 | 139.0° | 179.6° |
| H13 | C16 | N2 | C2 | 41.0° | 0.5° |
| H13 | C16 | C17 | N3 | 12.2° | 0.6° |
| N3 | C24 | C23 | C19 | 46.0° | 63.2° |
| N3 | C24 | C23 | C22 | 134.3° | 116.8° |
| N3 | C24 | C23 | C25 | 136.6° | 125.3° |
| N3 | C24 | C23 | H16 | 111.2° | 115.7° |
| N3 | C24 | C25 | H16 | 115.1° | 119.8° |
| N3 | C24 | C25 | O7 | 42.8° | 78.4° |
| C24 | N3 | H15 | C17 | 180.0° | 179.6° |
| N3 | C24 | C25 | N4 | 139.3° | 104.0° |
| O5 | C18 | C19 | C20 | 178.2° | 179.8° |
| O5 | C18 | C19 | C23 | 178.7° | 179.8° |
| O5 | C18 | C20 | C21 | 178.6° | 179.9° |
| O5 | C18 | C19 | H17 | 1.3° | 0.7° |
| O5 | C18 | C20 | H18 | 1.4° | 0.2° |
| C18 | C19 | C23 | H17 | 180.0° | 179.5° |
| C19 | C18 | C20 | C21 | 0.3° | 0.3° |
| C18 | C19 | C23 | C22 | 0.2° | 0.1° |
| C18 | C19 | C23 | C24 | 179.5° | 179.9° |
| C19 | C18 | C20 | H18 | 179.7° | 179.6° |
| C19 | C18 | O5 | C5 | 13.4° | 85.5° |
| C20 | C18 | C19 | C23 | 0.5° | 0.4° |
| C18 | C20 | C21 | H18 | 180.0° | 179.9° |
| C18 | C20 | C21 | O6 | 144.5° | 179.8° |
| C18 | C20 | C21 | C22 | 0.4° | 0.0° |
| C20 | C18 | C19 | H17 | 179.5° | 179.1° |
| C20 | C18 | O5 | C5 | 168.5° | 94.6° |
| C19 | C23 | C22 | C21 | 0.9° | 0.2° |
| C19 | C23 | C22 | C24 | 179.7° | 180.0° |
| C19 | C23 | C24 | C25 | 177.4° | 62.0° |
| C19 | C23 | C24 | H16 | 65.2° | 178.9° |
| C19 | C23 | C22 | H20 | 179.1° | 179.7° |
| C20 | C21 | O6 | C22 | 66.1° | 179.8° |
| C20 | C21 | C22 | C23 | 1.0° | 0.2° |
| C20 | C21 | O6 | H19 | 90.0° | 90.0° |
| C20 | C21 | C22 | H20 | 179.0° | 179.6° |
| O6 | C21 | C22 | C23 | 42.8° | 179.6° |
| O6 | C21 | C20 | H18 | 35.5° | 0.1° |
| O6 | C21 | C22 | H20 | 137.2° | 0.5° |
| C21 | C22 | C23 | H20 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 178.8° | 179.8° |
| C22 | C21 | C20 | H18 | 179.6° | 179.9° |
| C22 | C21 | O6 | H19 | 90.0° | 89.8° |
| C22 | C23 | C24 | C25 | 2.3° | 118.0° |
| C22 | C23 | C24 | H16 | 114.5° | 1.1° |
| C22 | C23 | C19 | H17 | 179.8° | 179.4° |
| C23 | C24 | C25 | H16 | 112.3° | 118.0° |
| C23 | C24 | C25 | O7 | 89.8° | 43.9° |
| C23 | C24 | N3 | H15 | 113.3° | 109.2° |
| C24 | C23 | C19 | H17 | 0.5° | 0.6° |
| C24 | C23 | C22 | H20 | 1.2° | 0.3° |
| C23 | C24 | N3 | C17 | 66.7° | 70.4° |
| C23 | C24 | C25 | N4 | 88.0° | 133.7° |
| C24 | C25 | O7 | N4 | 177.6° | 178.0° |
| C25 | C24 | N3 | H15 | 111.9° | 126.9° |
| C24 | C25 | N4 | C26 | 177.8° | 86.5° |
| C24 | C25 | N4 | H21 | 2.2° | 93.4° |
| C25 | C24 | N3 | C17 | 68.1° | 53.4° |
| O7 | C25 | C24 | H16 | 157.9° | 161.9° |
| O7 | C25 | N4 | C26 | 4.4° | 95.9° |
| O7 | C25 | N4 | H21 | 175.6° | 84.2° |
| H15 | N3 | C24 | H16 | 2.6° | 6.3° |
| H16 | C24 | N3 | C17 | 177.4° | 174.1° |
| H16 | C24 | C25 | N4 | 24.3° | 15.7° |
| C26 | N4 | H21 | C25 | 180.0° | 179.9° |
| N4 | C26 | C27 | C28 | 127.2° | 128.5° |
| N4 | C26 | C27 | H22 | 119.3° | 117.6° |
| N4 | C26 | C28 | H22 | 119.9° | 117.0° |
| N4 | C26 | C27 | O8 | 46.5° | 65.2° |
| N4 | C26 | C28 | C29 | 10.4° | 44.6° |
| N4 | C26 | C28 | C33 | 161.6° | 136.2° |
| N4 | C26 | C27 | N5 | 136.7° | 113.6° |
| H21 | N4 | C26 | C27 | 114.7° | 31.1° |
| H21 | N4 | C26 | C28 | 123.7° | 95.6° |
| H21 | N4 | C26 | H22 | 4.3° | 148.2° |
| C27 | C26 | C28 | H22 | 114.0° | 114.3° |
| C26 | C27 | O8 | N5 | 176.4° | 178.9° |
| C27 | C26 | C28 | C29 | 136.5° | 173.3° |
| C27 | C26 | C28 | C33 | 35.4° | 7.5° |
| C26 | C27 | N5 | C34 | 170.3° | 145.6° |
| C26 | C27 | N5 | H25 | 9.8° | 34.5° |
| C27 | C26 | N4 | C25 | 65.3° | 148.8° |
| C28 | C26 | C27 | O8 | 80.7° | 63.3° |
| C26 | C28 | C29 | C33 | 172.3° | 179.2° |
| C26 | C28 | C29 | C30 | 178.9° | 177.7° |
| C26 | C28 | C29 | H23 | 1.1° | 2.0° |
| C26 | C28 | C33 | C32 | 179.1° | 178.4° |
| C26 | C28 | C33 | H24 | 0.9° | 1.5° |
| C28 | C26 | N4 | C25 | 56.3° | 84.5° |
| C28 | C26 | C27 | N5 | 96.1° | 117.9° |
| H22 | C26 | C27 | O8 | 165.8° | 177.2° |
| H22 | C26 | C28 | C29 | 109.5° | 72.5° |
| H22 | C26 | C28 | C33 | 78.5° | 106.7° |
| H22 | C26 | N4 | C25 | 175.6° | 31.7° |
| H22 | C26 | C27 | N5 | 17.5° | 4.0° |
| O8 | C27 | N5 | C34 | 6.6° | 35.5° |
| O8 | C27 | N5 | H25 | 173.4° | 144.3° |
| C28 | C29 | C30 | H23 | 180.0° | 179.7° |
| C28 | C29 | C30 | C31 | 0.6° | 2.7° |
| C29 | C28 | C33 | C32 | 7.1° | 0.9° |
| C29 | C28 | C33 | H24 | 173.0° | 179.3° |
| C28 | C29 | C30 | O3 | 178.1° | 176.2° |
| C33 | C28 | C29 | C30 | 6.6° | 1.6° |
| C33 | C28 | C29 | H23 | 173.4° | 178.8° |
| C28 | C33 | C32 | C31 | 1.6° | 1.3° |
| C28 | C33 | C32 | H24 | 180.0° | 179.9° |
| C28 | C33 | C32 | O12 | 178.0° | 176.4° |
| C29 | C30 | C31 | O3 | 178.7° | 178.8° |
| C29 | C30 | C31 | O9 | 178.9° | 178.5° |
| C29 | C30 | C31 | C32 | 5.3° | 3.0° |
| H23 | C29 | C30 | C31 | 179.4° | 177.6° |
| H23 | C29 | C30 | O3 | 1.9° | 3.5° |
| C30 | C31 | O9 | C32 | 174.1° | 178.5° |
| C30 | C31 | C32 | C33 | 4.7° | 2.3° |
| C30 | C31 | C32 | O12 | 175.6° | 175.3° |
| C30 | C31 | O9 | C73 | 100.9° | 90.0° |
| O9 | C31 | C32 | C33 | 178.8° | 179.2° |
| C31 | O9 | C73 | C74 | 166.9° | 175.0° |
| C31 | O9 | C73 | O31 | 86.8° | 65.1° |
| C31 | O9 | C73 | H68 | 40.4° | 54.9° |
| O9 | C31 | C30 | O3 | 2.4° | 2.7° |
| O9 | C31 | C32 | O12 | 1.5° | 3.2° |
| C31 | C32 | C33 | O12 | 179.7° | 177.7° |
| C31 | C32 | C33 | H24 | 178.4° | 178.9° |
| C31 | C32 | O12 | C45 | 170.2° | 125.8° |
| C32 | C31 | C30 | O3 | 176.0° | 175.8° |
| C32 | C31 | O9 | C73 | 85.0° | 88.5° |
| C33 | C32 | O12 | C45 | 10.2° | 51.9° |
| H24 | C33 | C32 | O12 | 2.0° | 3.4° |
| C34 | N5 | H25 | C27 | 180.0° | 179.9° |
| N5 | C34 | C35 | C36 | 124.1° | 120.3° |
| N5 | C34 | C35 | H26 | 118.1° | 122.5° |
| N5 | C34 | C36 | H26 | 125.2° | 127.1° |
| N5 | C34 | C35 | O10 | 27.7° | 0.1° |
| N5 | C34 | C36 | C37 | 130.9° | 62.7° |
| N5 | C34 | C36 | C41 | 52.3° | 118.5° |
| N5 | C34 | C35 | N6 | 150.0° | 178.9° |
| H25 | N5 | C34 | C35 | 22.2° | 84.7° |
| H25 | N5 | C34 | C36 | 96.0° | 28.0° |
| H25 | N5 | C34 | H26 | 139.6° | 154.3° |
| C35 | C34 | C36 | H26 | 118.0° | 116.3° |
| C34 | C35 | O10 | N6 | 177.6° | 178.9° |
| C35 | C34 | C36 | C37 | 112.4° | 53.9° |
| C35 | C34 | C36 | C41 | 64.4° | 125.0° |
| C34 | C35 | N6 | C42 | 0.9° | 151.7° |
| C34 | C35 | N6 | H31 | 179.0° | 28.2° |
| C35 | C34 | N5 | C27 | 157.8° | 95.4° |
| C36 | C34 | C35 | O10 | 96.4° | 120.4° |
| C34 | C36 | C37 | C41 | 177.0° | 178.8° |
| C34 | C36 | C37 | C38 | 176.1° | 175.2° |
| C34 | C36 | C37 | H27 | 3.9° | 5.9° |
| C34 | C36 | C41 | C40 | 176.8° | 175.1° |
| C34 | C36 | C41 | H30 | 3.2° | 4.8° |
| C36 | C34 | N5 | C27 | 84.0° | 151.9° |
| C36 | C34 | C35 | N6 | 85.9° | 58.6° |
| H26 | C34 | C35 | O10 | 145.8° | 122.4° |
| H26 | C34 | C36 | C37 | 5.7° | 170.2° |
| H26 | C34 | C36 | C41 | 177.6° | 8.6° |
| H26 | C34 | N5 | C27 | 40.5° | 25.5° |
| H26 | C34 | C35 | N6 | 31.9° | 58.6° |
| O10 | C35 | N6 | C42 | 176.7° | 27.2° |
| O10 | C35 | N6 | H31 | 3.4° | 152.8° |
| C36 | C37 | C38 | H27 | 180.0° | 179.0° |
| C36 | C37 | C38 | C39 | 2.1° | 0.3° |
| C37 | C36 | C41 | C40 | 0.3° | 3.7° |
| C37 | C36 | C41 | H30 | 179.7° | 176.4° |
| C36 | C37 | C38 | C52 | 178.2° | 177.9° |
| C41 | C36 | C37 | C38 | 0.9° | 3.6° |
| C41 | C36 | C37 | H27 | 179.1° | 175.3° |
| C36 | C41 | C40 | C39 | 0.1° | 0.5° |
| C36 | C41 | C40 | H30 | 180.0° | 179.9° |
| C36 | C41 | C40 | H29 | 179.9° | 179.1° |
| C37 | C38 | C39 | C52 | 175.5° | 178.4° |
| C37 | C38 | C39 | O11 | 179.0° | 176.4° |
| C37 | C38 | C39 | C40 | 2.2° | 3.0° |
| C37 | C38 | C52 | C51 | 98.1° | 128.7° |
| C37 | C38 | C52 | C56 | 76.1° | 50.8° |
| H27 | C37 | C38 | C39 | 177.8° | 178.7° |
| H27 | C37 | C38 | C52 | 1.7° | 3.1° |
| C38 | C39 | O11 | C40 | 178.8° | 179.4° |
| C38 | C39 | O11 | H28 | 180.0° | 90.0° |
| C38 | C39 | C40 | C41 | 1.1° | 2.9° |
| C38 | C39 | C40 | H29 | 178.9° | 177.5° |
| C39 | C38 | C52 | C51 | 77.6° | 53.1° |
| C39 | C38 | C52 | C56 | 108.2° | 127.5° |
| O11 | C39 | C40 | C41 | 179.9° | 176.5° |
| O11 | C39 | C40 | H29 | 0.1° | 3.0° |
| O11 | C39 | C38 | C52 | 3.5° | 1.9° |
| C40 | C39 | O11 | H28 | 1.2° | 90.6° |
| C39 | C40 | C41 | H29 | 180.0° | 179.5° |
| C39 | C40 | C41 | H30 | 179.9° | 179.7° |
| C40 | C39 | C38 | C52 | 177.7° | 178.6° |
| H29 | C40 | C41 | H30 | 0.1° | 0.8° |
| N6 | C42 | C49 | C46 | 62.5° | 24.7° |
| N6 | C42 | C50 | O13 | 28.6° | 115.3° |
| N6 | C42 | C50 | C49 | 124.1° | 125.0° |
| N6 | C42 | C50 | H32 | 114.7° | 117.2° |
| N6 | C42 | C49 | H32 | 116.2° | 119.0° |
| N6 | C42 | C49 | O14 | 53.0° | 95.6° |
| C42 | N6 | H31 | C35 | 180.0° | 180.0° |
| N6 | C42 | C49 | H36 | 179.6° | 144.0° |
| N6 | C42 | C50 | N7 | 144.1° | 62.9° |
| O12 | C45 | C43 | C44 | 177.4° | 179.1° |
| O12 | C45 | C43 | C47 | 176.2° | 176.4° |
| O12 | C45 | C44 | C48 | 175.4° | 175.8° |
| O12 | C45 | C44 | CL2 | 2.6° | 2.8° |
| O12 | C45 | C43 | H33 | 3.8° | 4.1° |
| C45 | C43 | C47 | H33 | 180.0° | 179.5° |
| C45 | C43 | C47 | C46 | 1.7° | 0.2° |
| C43 | C45 | C44 | C48 | 2.0° | 5.1° |
| C43 | C45 | C44 | CL2 | 179.9° | 176.3° |
| C45 | C43 | C47 | H34 | 178.3° | 179.9° |
| C43 | C45 | O12 | C32 | 94.1° | 45.1° |
| C44 | C45 | C43 | C47 | 1.2° | 4.5° |
| C45 | C44 | C48 | C46 | 3.2° | 1.1° |
| C45 | C44 | C48 | CL2 | 178.1° | 178.6° |
| C44 | C45 | C43 | H33 | 178.8° | 175.0° |
| C45 | C44 | C48 | H35 | 176.8° | 179.7° |
| C44 | C45 | O12 | C32 | 83.2° | 135.8° |
| C43 | C47 | C46 | H34 | 180.0° | 179.8° |
| C43 | C47 | C46 | C48 | 2.8° | 4.2° |
| C43 | C47 | C46 | C49 | 178.7° | 174.5° |
| C47 | C46 | C48 | C49 | 176.2° | 178.7° |
| C47 | C46 | C48 | C44 | 3.5° | 3.6° |
| C47 | C46 | C49 | C42 | 95.8° | 136.1° |
| C47 | C46 | C49 | O14 | 10.9° | 15.4° |
| C46 | C47 | C43 | H33 | 178.3° | 179.8° |
| C47 | C46 | C48 | H35 | 176.5° | 175.5° |
| C47 | C46 | C49 | H36 | 146.5° | 104.1° |
| C46 | C48 | C44 | H35 | 180.0° | 179.1° |
| C46 | C48 | C44 | CL2 | 178.7° | 179.7° |
| C48 | C46 | C49 | C42 | 80.1° | 42.5° |
| C48 | C46 | C49 | O14 | 173.2° | 163.3° |
| C48 | C46 | C47 | H34 | 177.2° | 175.9° |
| C48 | C46 | C49 | H36 | 37.6° | 77.2° |
| C49 | C46 | C48 | C44 | 179.6° | 175.1° |
| C46 | C49 | C42 | C50 | 174.8° | 147.9° |
| C46 | C49 | C42 | O14 | 115.6° | 120.3° |
| C46 | C49 | C42 | H36 | 117.1° | 119.3° |
| C46 | C49 | O14 | H36 | 134.1° | 119.5° |
| C46 | C49 | C42 | H32 | 53.6° | 94.3° |
| C49 | C46 | C47 | H34 | 1.3° | 5.4° |
| C49 | C46 | C48 | H35 | 0.4° | 5.8° |
| C46 | C49 | O14 | C65 | 100.4° | 101.6° |
| CL2 | C44 | C48 | H35 | 1.3° | 1.1° |
| O13 | C50 | C42 | N7 | 172.7° | 178.2° |
| O13 | C50 | C42 | C49 | 95.5° | 119.7° |
| O13 | C50 | C42 | H32 | 143.3° | 1.9° |
| O13 | C50 | N7 | C57 | 4.4° | 17.8° |
| O13 | C50 | N7 | H37 | 175.5° | 163.4° |
| C50 | C42 | C49 | H32 | 121.2° | 117.7° |
| C50 | C42 | C49 | O14 | 69.6° | 27.6° |
| C50 | C42 | N6 | H31 | 89.2° | 103.2° |
| C50 | C42 | C49 | H36 | 57.7° | 92.7° |
| C42 | C50 | N7 | C57 | 167.8° | 164.1° |
| C42 | C50 | N7 | H37 | 12.2° | 14.7° |
| C50 | C42 | N6 | C35 | 90.8° | 76.7° |
| C42 | C49 | O14 | H36 | 125.8° | 120.7° |
| C49 | C42 | N6 | H31 | 40.7° | 131.7° |
| C49 | C42 | N6 | C35 | 139.3° | 48.4° |
| C49 | C42 | C50 | N7 | 91.9° | 62.1° |
| C42 | C49 | O14 | C65 | 159.5° | 138.6° |
| O14 | C49 | C42 | H32 | 169.2° | 145.3° |
| C49 | O14 | C65 | C66 | 72.8° | 178.1° |
| C49 | O14 | C65 | O26 | 58.1° | 61.9° |
| C49 | O14 | C65 | H54 | 169.3° | 58.1° |
| H31 | N6 | C42 | H32 | 156.6° | 13.2° |
| H32 | C42 | C49 | H36 | 63.5° | 25.0° |
| H32 | C42 | N6 | C35 | 23.4° | 166.9° |
| H32 | C42 | C50 | N7 | 29.4° | 179.9° |
| H33 | C43 | C47 | H34 | 1.7° | 0.4° |
| H36 | C49 | O14 | C65 | 33.7° | 17.9° |
| N7 | C57 | C56 | C52 | 76.8° | 3.9° |
| N7 | C57 | C56 | C55 | 105.1° | 175.8° |
| N7 | C57 | C56 | C58 | 128.4° | 130.0° |
| N7 | C57 | C56 | H38 | 116.9° | 119.3° |
| N7 | C57 | C58 | H38 | 122.9° | 111.9° |
| N7 | C57 | C58 | O17 | 141.5° | 61.6° |
| N7 | C57 | C58 | O18 | 16.0° | 118.5° |
| C57 | N7 | H37 | C50 | 180.0° | 179.0° |
| O15 | C51 | C52 | C53 | 178.2° | 179.6° |
| O15 | C51 | C52 | C56 | 178.9° | 177.8° |
| O15 | C51 | C53 | C54 | 179.9° | 178.1° |
| O15 | C51 | C53 | H39 | 0.1° | 2.0° |
| C51 | O15 | C59 | C60 | 69.9° | 175.0° |
| C51 | O15 | C59 | O22 | 162.9° | 65.1° |
| C51 | O15 | C59 | H43 | 48.4° | 55.0° |
| O15 | C51 | C52 | C38 | 4.5° | 1.7° |
| C51 | C52 | C56 | C38 | 174.2° | 179.5° |
| C52 | C51 | C53 | C54 | 1.7° | 1.5° |
| C51 | C52 | C56 | C55 | 2.9° | 0.5° |
| C51 | C52 | C56 | C57 | 179.0° | 179.1° |
| C52 | C51 | C53 | H39 | 178.4° | 178.4° |
| C52 | C51 | O15 | C59 | 145.9° | 180.0° |
| C53 | C51 | C52 | C56 | 2.9° | 1.7° |
| C51 | C53 | C54 | H39 | 180.0° | 179.9° |
| C51 | C53 | C54 | O16 | 179.8° | 179.9° |
| C51 | C53 | C54 | C55 | 0.5° | 0.0° |
| C53 | C51 | C52 | C38 | 177.3° | 178.7° |
| C53 | C51 | O15 | C59 | 32.3° | 0.4° |
| C52 | C56 | C55 | C54 | 1.8° | 0.9° |
| C52 | C56 | C55 | C57 | 178.2° | 179.7° |
| C52 | C56 | C57 | C58 | 154.8° | 126.1° |
| C52 | C56 | C57 | H38 | 40.1° | 123.2° |
| C52 | C56 | C55 | H41 | 178.2° | 177.5° |
| C53 | C54 | O16 | C55 | 179.7° | 179.9° |
| C53 | C54 | C55 | C56 | 0.6° | 1.2° |
| C53 | C54 | O16 | H40 | 180.0° | 90.0° |
| C53 | C54 | C55 | H41 | 179.4° | 177.3° |
| O16 | C54 | C55 | C56 | 179.7° | 178.7° |
| O16 | C54 | C53 | H39 | 0.2° | 0.0° |
| O16 | C54 | C55 | H41 | 0.3° | 2.8° |
| C54 | C55 | C56 | H41 | 180.0° | 178.5° |
| C54 | C55 | C56 | C57 | 180.0° | 179.4° |
| C55 | C54 | C53 | H39 | 179.5° | 179.9° |
| C55 | C54 | O16 | H40 | 0.3° | 89.9° |
| C55 | C56 | C57 | C58 | 23.3° | 54.2° |
| C55 | C56 | C57 | H38 | 138.0° | 56.5° |
| C55 | C56 | C52 | C38 | 177.1° | 180.0° |
| C56 | C57 | C58 | H38 | 114.6° | 110.7° |
| C56 | C57 | C58 | O17 | 95.9° | 75.9° |
| C56 | C57 | C58 | O18 | 138.5° | 104.1° |
| C56 | C57 | N7 | H37 | 45.5° | 74.7° |
| C57 | C56 | C55 | H41 | 0.0° | 2.2° |
| C57 | C56 | C52 | C38 | 4.8° | 0.3° |
| C56 | C57 | N7 | C50 | 134.5° | 106.6° |
| C57 | C58 | O17 | O18 | 127.7° | 180.0° |
| C58 | C57 | N7 | H37 | 75.7° | 156.1° |
| C57 | C58 | O18 | H42 | 123.4° | 180.0° |
| C58 | C57 | N7 | C50 | 104.3° | 22.6° |
| O17 | C58 | C57 | H38 | 18.7° | 173.4° |
| O17 | C58 | O18 | H42 | 0.0° | 0.0° |
| O18 | C58 | C57 | H38 | 106.9° | 6.6° |
| H37 | N7 | C57 | H38 | 161.8° | 44.5° |
| H38 | C57 | N7 | C50 | 18.2° | 134.3° |
| C60 | C59 | O22 | H43 | 117.7° | 120.0° |
| C60 | C59 | O22 | O15 | 127.7° | 120.0° |
| C60 | C59 | H43 | O15 | 123.8° | 120.1° |
| C59 | C60 | C61 | O19 | 121.0° | 119.9° |
| C59 | C60 | C61 | H44 | 118.6° | 119.9° |
| C59 | C60 | O19 | H44 | 121.3° | 120.2° |
| C59 | C60 | C61 | C62 | 67.4° | 57.0° |
| C59 | C60 | C61 | O20 | 167.3° | 176.9° |
| C59 | C60 | C61 | H45 | 47.9° | 62.9° |
| C60 | C59 | O22 | C63 | 34.0° | 61.2° |
| C59 | C60 | O19 | H50 | 180.0° | 60.0° |
| O22 | C59 | H43 | O15 | 113.4° | 120.0° |
| O22 | C59 | C60 | C61 | 55.7° | 57.6° |
| O22 | C59 | C60 | O19 | 63.1° | 62.3° |
| O22 | C59 | C60 | H44 | 174.6° | 177.5° |
| C59 | O22 | C63 | C62 | 25.3° | 61.1° |
| C59 | O22 | C63 | C64 | 153.3° | 178.9° |
| C59 | O22 | C63 | H47 | 92.7° | 58.8° |
| H43 | C59 | C60 | C61 | 62.5° | 62.3° |
| H43 | C59 | C60 | O19 | 178.7° | 177.7° |
| H43 | C59 | C60 | H44 | 56.3° | 57.5° |
| H43 | C59 | O22 | C63 | 83.7° | 58.8° |
| C61 | C60 | O19 | H44 | 119.6° | 120.2° |
| C60 | C61 | C62 | O20 | 124.0° | 119.8° |
| C60 | C61 | C62 | H45 | 115.5° | 119.9° |
| C60 | C61 | O20 | H45 | 118.9° | 120.2° |
| C60 | C61 | C62 | C63 | 58.2° | 57.0° |
| C60 | C61 | C62 | O21 | 177.1° | 177.0° |
| C60 | C61 | C62 | H46 | 58.1° | 62.9° |
| C61 | C60 | O19 | H50 | 61.0° | 179.7° |
| C60 | C61 | O20 | H51 | 180.0° | 60.1° |
| C61 | C60 | C59 | O15 | 178.5° | 177.6° |
| O19 | C60 | C61 | C62 | 53.6° | 62.9° |
| O19 | C60 | C61 | O20 | 71.7° | 57.0° |
| O19 | C60 | C61 | H45 | 168.9° | 177.2° |
| O19 | C60 | C59 | O15 | 59.7° | 57.7° |
| H44 | C60 | C61 | C62 | 174.1° | 176.9° |
| H44 | C60 | C61 | O20 | 48.8° | 63.3° |
| H44 | C60 | C61 | H45 | 70.7° | 57.0° |
| H44 | C60 | O19 | H50 | 58.7° | 60.1° |
| H44 | C60 | C59 | O15 | 62.6° | 62.6° |
| C62 | C61 | O20 | H45 | 119.7° | 120.2° |
| C61 | C62 | C63 | O21 | 125.5° | 119.9° |
| C61 | C62 | C63 | H46 | 116.4° | 119.9° |
| C61 | C62 | O21 | H46 | 118.2° | 120.1° |
| C61 | C62 | C63 | C64 | 164.8° | 177.6° |
| C61 | C62 | C63 | O22 | 37.2° | 57.6° |
| C61 | C62 | C63 | H47 | 81.3° | 62.4° |
| C62 | C61 | O20 | H51 | 58.5° | 179.6° |
| C61 | C62 | O21 | H52 | 180.0° | 60.0° |
| O20 | C61 | C62 | C63 | 177.8° | 176.8° |
| O20 | C61 | C62 | O21 | 53.1° | 63.2° |
| O20 | C61 | C62 | H46 | 65.9° | 56.9° |
| H45 | C61 | C62 | C63 | 57.3° | 63.0° |
| H45 | C61 | C62 | O21 | 67.4° | 57.0° |
| H45 | C61 | C62 | H46 | 173.7° | 177.1° |
| H45 | C61 | O20 | H51 | 61.1° | 60.2° |
| C63 | C62 | O21 | H46 | 117.2° | 120.2° |
| C62 | C63 | C64 | O22 | 131.6° | 120.0° |
| C62 | C63 | C64 | H47 | 113.9° | 120.0° |
| C62 | C63 | O22 | H47 | 118.0° | 119.9° |
| C62 | C63 | C64 | O23 | 70.9° | 175.0° |
| C62 | C63 | C64 | H48 | 168.9° | 55.0° |
| C62 | C63 | C64 | H49 | 49.4° | 65.0° |
| C63 | C62 | O21 | H52 | 55.4° | 179.7° |
| O21 | C62 | C63 | C64 | 69.8° | 62.5° |
| O21 | C62 | C63 | O22 | 162.7° | 177.5° |
| O21 | C62 | C63 | H47 | 44.2° | 57.6° |
| H46 | C62 | C63 | C64 | 48.3° | 57.7° |
| H46 | C62 | C63 | O22 | 79.2° | 62.3° |
| H46 | C62 | C63 | H47 | 162.3° | 177.8° |
| H46 | C62 | O21 | H52 | 61.8° | 60.1° |
| C64 | C63 | O22 | H47 | 114.0° | 120.0° |
| C63 | C64 | O23 | H48 | 120.2° | 119.9° |
| C63 | C64 | O23 | H49 | 120.3° | 120.1° |
| C63 | C64 | H48 | H49 | 119.3° | 120.0° |
| C63 | C64 | O23 | H53 | 180.0° | 180.0° |
| O22 | C63 | C64 | O23 | 60.8° | 65.1° |
| O22 | C63 | C64 | H48 | 59.4° | 175.0° |
| O22 | C63 | C64 | H49 | 179.0° | 55.0° |
| C63 | O22 | C59 | O15 | 161.7° | 178.9° |
| H47 | C63 | C64 | O23 | 175.3° | 54.9° |
| H47 | C63 | C64 | H48 | 55.1° | 65.0° |
| H47 | C63 | C64 | H49 | 64.5° | 174.9° |
| O23 | C64 | H48 | H49 | 119.3° | 120.0° |
| H48 | C64 | O23 | H53 | 59.7° | 60.1° |
| H49 | C64 | O23 | H53 | 59.8° | 60.0° |
| C66 | C65 | O26 | H54 | 111.1° | 119.9° |
| C66 | C65 | O26 | O14 | 138.3° | 120.0° |
| C66 | C65 | H54 | O14 | 131.3° | 120.1° |
| C65 | C66 | C67 | N8 | 125.7° | 119.9° |
| C65 | C66 | C67 | H55 | 117.4° | 120.0° |
| C65 | C66 | N8 | H55 | 117.5° | 120.2° |
| C65 | C66 | C67 | C68 | 33.4° | 57.0° |
| C65 | C66 | C67 | O24 | 155.1° | 176.9° |
| C65 | C66 | C67 | H56 | 85.8° | 62.9° |
| C66 | C65 | O26 | C69 | 65.2° | 61.1° |
| C65 | C66 | N8 | C71 | 121.8° | 96.1° |
| C65 | C66 | N8 | H64 | 58.2° | 83.9° |
| O26 | C65 | H54 | O14 | 113.2° | 120.0° |
| O26 | C65 | C66 | C67 | 39.9° | 57.6° |
| O26 | C65 | C66 | N8 | 164.2° | 177.5° |
| O26 | C65 | C66 | H55 | 77.6° | 62.4° |
| C65 | O26 | C69 | C68 | 78.1° | 61.1° |
| C65 | O26 | C69 | C70 | 164.9° | 178.9° |
| C65 | O26 | C69 | H58 | 43.5° | 58.9° |
| H54 | C65 | C66 | C67 | 72.0° | 62.3° |
| H54 | C65 | C66 | N8 | 52.3° | 57.6° |
| H54 | C65 | C66 | H55 | 170.5° | 177.7° |
| H54 | C65 | O26 | C69 | 45.8° | 58.8° |
| C67 | C66 | N8 | H55 | 116.3° | 120.1° |
| C66 | C67 | C68 | O24 | 121.9° | 119.9° |
| C66 | C67 | C68 | H56 | 119.2° | 119.8° |
| C66 | C67 | O24 | H56 | 118.0° | 120.2° |
| C66 | C67 | C68 | C69 | 46.6° | 57.0° |
| C66 | C67 | C68 | O25 | 171.4° | 176.8° |
| C66 | C67 | C68 | H57 | 69.4° | 63.0° |
| C67 | C66 | N8 | C71 | 112.1° | 144.2° |
| C67 | C66 | N8 | H64 | 67.9° | 35.8° |
| C66 | C67 | O24 | H65 | 180.0° | 180.0° |
| C67 | C66 | C65 | O14 | 169.8° | 177.6° |
| N8 | C66 | C67 | C68 | 159.2° | 176.9° |
| N8 | C66 | C67 | O24 | 79.2° | 63.2° |
| N8 | C66 | C67 | H56 | 39.9° | 57.0° |
| C66 | N8 | C71 | C72 | 1.9° | 175.3° |
| C66 | N8 | C71 | H64 | 180.0° | 180.0° |
| C66 | N8 | C71 | O28 | 177.4° | 4.6° |
| N8 | C66 | C65 | O14 | 65.8° | 62.5° |
| H55 | C66 | C67 | C68 | 83.9° | 63.0° |
| H55 | C66 | C67 | O24 | 37.7° | 56.9° |
| H55 | C66 | C67 | H56 | 156.8° | 177.2° |
| H55 | C66 | N8 | C71 | 4.3° | 24.1° |
| H55 | C66 | N8 | H64 | 175.7° | 155.9° |
| H55 | C66 | C65 | O14 | 52.3° | 57.6° |
| C68 | C67 | O24 | H56 | 117.8° | 120.2° |
| C67 | C68 | C69 | O25 | 126.0° | 119.9° |
| C67 | C68 | C69 | H57 | 115.8° | 120.0° |
| C67 | C68 | O25 | H57 | 118.4° | 120.2° |
| C67 | C68 | C69 | C70 | 175.2° | 177.6° |
| C67 | C68 | C69 | O26 | 65.9° | 57.6° |
| C67 | C68 | C69 | H58 | 57.1° | 62.4° |
| C68 | C67 | O24 | H65 | 55.8° | 60.4° |
| C67 | C68 | O25 | H66 | 180.0° | 179.9° |
| O24 | C67 | C68 | C69 | 168.5° | 176.9° |
| O24 | C67 | C68 | O25 | 66.6° | 63.2° |
| O24 | C67 | C68 | H57 | 52.5° | 56.9° |
| H56 | C67 | C68 | C69 | 72.6° | 62.9° |
| H56 | C67 | C68 | O25 | 52.3° | 57.0° |
| H56 | C67 | C68 | H57 | 171.4° | 177.2° |
| H56 | C67 | O24 | H65 | 62.0° | 59.8° |
| C69 | C68 | O25 | H57 | 117.6° | 120.1° |
| C68 | C69 | C70 | O26 | 110.2° | 119.9° |
| C68 | C69 | C70 | H58 | 127.4° | 120.1° |
| C68 | C69 | O26 | H58 | 121.6° | 120.0° |
| C68 | C69 | C70 | O27 | 33.9° | 175.0° |
| C68 | C69 | C70 | H59 | 86.1° | 55.0° |
| C68 | C69 | C70 | H60 | 154.0° | 65.0° |
| C69 | C68 | O25 | H66 | 56.0° | 60.4° |
| O25 | C68 | C69 | C70 | 58.7° | 62.5° |
| O25 | C68 | C69 | O26 | 168.1° | 177.5° |
| O25 | C68 | C69 | H58 | 68.9° | 57.5° |
| H57 | C68 | C69 | C70 | 59.4° | 57.6° |
| H57 | C68 | C69 | O26 | 49.9° | 62.4° |
| H57 | C68 | C69 | H58 | 172.9° | 177.6° |
| H57 | C68 | O25 | H66 | 61.5° | 59.7° |
| C70 | C69 | O26 | H58 | 121.4° | 120.0° |
| C69 | C70 | O27 | H59 | 120.1° | 119.9° |
| C69 | C70 | O27 | H60 | 120.1° | 120.1° |
| C69 | C70 | H59 | H60 | 119.7° | 120.0° |
| C69 | C70 | O27 | H67 | 180.0° | 180.0° |
| O26 | C69 | C70 | O27 | 144.1° | 65.1° |
| O26 | C69 | C70 | H59 | 24.0° | 175.0° |
| O26 | C69 | C70 | H60 | 95.8° | 55.0° |
| C69 | O26 | C65 | O14 | 156.5° | 178.9° |
| H58 | C69 | C70 | O27 | 93.4° | 54.9° |
| H58 | C69 | C70 | H59 | 146.5° | 65.0° |
| H58 | C69 | C70 | H60 | 26.7° | 175.0° |
| O27 | C70 | H59 | H60 | 119.8° | 120.0° |
| H59 | C70 | O27 | H67 | 59.9° | 60.1° |
| H60 | C70 | O27 | H67 | 59.9° | 59.9° |
| C72 | C71 | N8 | O28 | 179.2° | 179.9° |
| C71 | C72 | H61 | H62 | 120.0° | 120.1° |
| C71 | C72 | H61 | H63 | 120.0° | 120.0° |
| C71 | C72 | H62 | H63 | 120.0° | 120.0° |
| C72 | C71 | N8 | H64 | 178.1° | 4.7° |
| N8 | C71 | C72 | H61 | 179.2° | 2.7° |
| N8 | C71 | C72 | H62 | 59.2° | 117.4° |
| N8 | C71 | C72 | H63 | 60.7° | 122.7° |
| O28 | C71 | C72 | H61 | 0.0° | 177.4° |
| O28 | C71 | C72 | H62 | 120.0° | 62.5° |
| O28 | C71 | C72 | H63 | 120.0° | 57.4° |
| O28 | C71 | N8 | H64 | 2.6° | 175.3° |
| H61 | C72 | H62 | H63 | 120.0° | 119.9° |
| C74 | C73 | O31 | H68 | 122.6° | 120.0° |
| C74 | C73 | O31 | O9 | 110.9° | 120.0° |
| C74 | C73 | H68 | O9 | 123.2° | 120.1° |
| C73 | C74 | C75 | N9 | 119.1° | 119.9° |
| C73 | C74 | C75 | H69 | 121.0° | 119.9° |
| C73 | C74 | N9 | H69 | 118.5° | 120.2° |
| C73 | C74 | C75 | C76 | 60.3° | 57.0° |
| C73 | C74 | C75 | O29 | 172.4° | 176.9° |
| C73 | C74 | C75 | H70 | 64.2° | 62.9° |
| C74 | C73 | O31 | C77 | 69.6° | 61.2° |
| C73 | C74 | N9 | H75 | 83.5° | 95.0° |
| C73 | C74 | N9 | C88 | 96.5° | 85.0° |
| O31 | C73 | H68 | O9 | 120.8° | 120.0° |
| O31 | C73 | C74 | C75 | 65.0° | 57.6° |
| O31 | C73 | C74 | N9 | 174.8° | 177.5° |
| O31 | C73 | C74 | H69 | 56.0° | 62.2° |
| C73 | O31 | C77 | C76 | 66.7° | 61.1° |
| C73 | O31 | C77 | C78 | 165.5° | 178.9° |
| C73 | O31 | C77 | H72 | 47.9° | 58.8° |
| H68 | C73 | C74 | C75 | 59.3° | 62.4° |
| H68 | C73 | C74 | N9 | 60.8° | 57.5° |
| H68 | C73 | C74 | H69 | 179.7° | 177.8° |
| H68 | C73 | O31 | C77 | 53.0° | 58.8° |
| C75 | C74 | N9 | H69 | 119.6° | 120.1° |
| C74 | C75 | C76 | O29 | 109.9° | 119.9° |
| C74 | C75 | C76 | H70 | 123.9° | 119.8° |
| C74 | C75 | O29 | H70 | 122.7° | 120.2° |
| C74 | C75 | C76 | C77 | 55.7° | 57.0° |
| C74 | C75 | C76 | O30 | 167.9° | 176.9° |
| C74 | C75 | C76 | H71 | 70.7° | 62.9° |
| C75 | C74 | N9 | H75 | 38.3° | 24.7° |
| C74 | C75 | O29 | H76 | 180.0° | 180.0° |
| C75 | C74 | C73 | O9 | 173.3° | 177.5° |
| C75 | C74 | N9 | C88 | 141.7° | 155.3° |
| N9 | C74 | C75 | C76 | 179.4° | 176.9° |
| N9 | C74 | C75 | O29 | 68.5° | 63.2° |
| N9 | C74 | C75 | H70 | 55.0° | 57.0° |
| C74 | N9 | H75 | C88 | 180.0° | 180.0° |
| C74 | N9 | C88 | C86 | 175.9° | 180.0° |
| C74 | N9 | C88 | O33 | 3.2° | 0.0° |
| N9 | C74 | C73 | O9 | 66.5° | 62.6° |
| H69 | C74 | C75 | C76 | 60.7° | 62.9° |
| H69 | C74 | C75 | O29 | 51.4° | 57.0° |
| H69 | C74 | C75 | H70 | 174.9° | 177.3° |
| H69 | C74 | N9 | H75 | 158.0° | 144.8° |
| H69 | C74 | C73 | O9 | 52.3° | 57.7° |
| H69 | C74 | N9 | C88 | 22.0° | 35.2° |
| C76 | C75 | O29 | H70 | 125.9° | 120.2° |
| C75 | C76 | C77 | O30 | 111.3° | 119.9° |
| C75 | C76 | C77 | H71 | 126.8° | 119.9° |
| C75 | C76 | O30 | H71 | 121.0° | 120.1° |
| C75 | C76 | C77 | C78 | 179.0° | 177.5° |
| C75 | C76 | C77 | O31 | 56.5° | 57.6° |
| C75 | C76 | C77 | H72 | 58.6° | 62.4° |
| C76 | C75 | O29 | H76 | 68.6° | 60.4° |
| C75 | C76 | O30 | H77 | 180.0° | 180.0° |
| O29 | C75 | C76 | C77 | 165.6° | 176.9° |
| O29 | C75 | C76 | O30 | 82.2° | 63.2° |
| O29 | C75 | C76 | H71 | 39.3° | 57.0° |
| H70 | C75 | C76 | C77 | 68.3° | 62.9° |
| H70 | C75 | C76 | O30 | 43.9° | 57.0° |
| H70 | C75 | C76 | H71 | 165.4° | 177.2° |
| H70 | C75 | O29 | H76 | 57.3° | 59.8° |
| C77 | C76 | O30 | H71 | 120.8° | 120.1° |
| C76 | C77 | C78 | O31 | 119.5° | 119.9° |
| C76 | C77 | C78 | H72 | 122.5° | 120.0° |
| C76 | C77 | O31 | H72 | 114.6° | 120.0° |
| C76 | C77 | C78 | O32 | 55.7° | 175.0° |
| C76 | C77 | C78 | H73 | 175.3° | 55.0° |
| C76 | C77 | C78 | H74 | 64.0° | 65.0° |
| C77 | C76 | O30 | H77 | 61.8° | 60.3° |
| O30 | C76 | C77 | C78 | 69.7° | 62.5° |
| O30 | C76 | C77 | O31 | 167.7° | 177.5° |
| O30 | C76 | C77 | H72 | 52.7° | 57.5° |
| H71 | C76 | C77 | C78 | 52.1° | 57.7° |
| H71 | C76 | C77 | O31 | 70.4° | 62.3° |
| H71 | C76 | C77 | H72 | 174.5° | 177.7° |
| H71 | C76 | O30 | H77 | 59.0° | 59.8° |
| C78 | C77 | O31 | H72 | 117.5° | 120.1° |
| C77 | C78 | O32 | H73 | 119.7° | 120.0° |
| C77 | C78 | O32 | H74 | 119.7° | 120.0° |
| C77 | C78 | H73 | H74 | 121.0° | 120.0° |
| C77 | C78 | O32 | H78 | 180.0° | 180.0° |
| O31 | C77 | C78 | O32 | 63.9° | 65.1° |
| O31 | C77 | C78 | H73 | 55.8° | 174.9° |
| O31 | C77 | C78 | H74 | 176.4° | 54.9° |
| C77 | O31 | C73 | O9 | 179.5° | 178.9° |
| H72 | C77 | C78 | O32 | 178.1° | 55.0° |
| H72 | C77 | C78 | H73 | 62.2° | 65.0° |
| H72 | C77 | C78 | H74 | 58.4° | 175.0° |
| O32 | C78 | H73 | H74 | 121.0° | 120.0° |
| H73 | C78 | O32 | H78 | 60.3° | 60.0° |
| H74 | C78 | O32 | H78 | 60.4° | 60.0° |
| H75 | N9 | C88 | C86 | 4.1° | 0.0° |
| H75 | N9 | C88 | O33 | 176.8° | 180.0° |
| C88 | C86 | C85 | H79 | 120.9° | 120.0° |
| C88 | C86 | C85 | H80 | 120.9° | 120.0° |
| C86 | C88 | O33 | N9 | 179.1° | 180.0° |
| C88 | C86 | C85 | C84 | 171.5° | 180.0° |
| C88 | C86 | H79 | H80 | 117.3° | 120.0° |
| C88 | C86 | C85 | H81 | 50.7° | 59.9° |
| C88 | C86 | C85 | H82 | 67.6° | 60.0° |
| C85 | C86 | C88 | O33 | 162.0° | 0.0° |
| C86 | C85 | C84 | H81 | 120.9° | 120.0° |
| C86 | C85 | C84 | H82 | 120.9° | 120.0° |
| C86 | C85 | C84 | C83 | 96.3° | 180.0° |
| C85 | C86 | H79 | H80 | 117.3° | 120.0° |
| C86 | C85 | H81 | H82 | 117.3° | 120.0° |
| C86 | C85 | C84 | H83 | 144.7° | 60.0° |
| C86 | C85 | C84 | H84 | 22.6° | 60.0° |
| C85 | C86 | C88 | N9 | 17.1° | 180.0° |
| O33 | C88 | C86 | H79 | 41.2° | 120.0° |
| O33 | C88 | C86 | H80 | 77.1° | 120.0° |
| C85 | C84 | C83 | H83 | 119.0° | 120.0° |
| C85 | C84 | C83 | H84 | 119.0° | 120.0° |
| C85 | C84 | C83 | C82 | 150.7° | 180.0° |
| C84 | C85 | C86 | H79 | 67.6° | 60.0° |
| C84 | C85 | C86 | H80 | 50.6° | 60.0° |
| C84 | C85 | H81 | H82 | 117.2° | 120.0° |
| C85 | C84 | H83 | H84 | 123.0° | 119.9° |
| C85 | C84 | C83 | H85 | 88.0° | 60.0° |
| C85 | C84 | C83 | H86 | 29.5° | 60.1° |
| C84 | C83 | C82 | H85 | 121.2° | 120.0° |
| C84 | C83 | C82 | H86 | 121.2° | 119.9° |
| C84 | C83 | C82 | C81 | 127.4° | 180.0° |
| C83 | C84 | C85 | H81 | 24.6° | 60.0° |
| C83 | C84 | C85 | H82 | 142.8° | 60.0° |
| C83 | C84 | H83 | H84 | 123.0° | 120.0° |
| C84 | C83 | H85 | H86 | 116.0° | 120.0° |
| C84 | C83 | C82 | H87 | 114.3° | 60.0° |
| C84 | C83 | C82 | H88 | 9.1° | 60.0° |
| C83 | C82 | C81 | H87 | 118.3° | 120.1° |
| C83 | C82 | C81 | H88 | 118.3° | 120.0° |
| C83 | C82 | C81 | C80 | 133.1° | 180.0° |
| C82 | C83 | C84 | H83 | 31.7° | 60.0° |
| C82 | C83 | C84 | H84 | 90.3° | 60.0° |
| C82 | C83 | H85 | H86 | 116.0° | 120.0° |
| C83 | C82 | H87 | H88 | 124.8° | 120.0° |
| C83 | C82 | C81 | H89 | 105.5° | 60.0° |
| C83 | C82 | C81 | H90 | 11.7° | 60.1° |
| C82 | C81 | C80 | H89 | 121.4° | 120.0° |
| C82 | C81 | C80 | H90 | 121.4° | 119.9° |
| C82 | C81 | C80 | C79 | 97.2° | 175.0° |
| C82 | C81 | C80 | C87 | 35.9° | 65.0° |
| C81 | C82 | C83 | H85 | 6.2° | 60.0° |
| C81 | C82 | C83 | H86 | 111.3° | 60.1° |
| C81 | C82 | H87 | H88 | 124.9° | 120.0° |
| C82 | C81 | H89 | H90 | 115.4° | 120.0° |
| C82 | C81 | C80 | H91 | 149.6° | 55.0° |
| C81 | C80 | C79 | C87 | 133.4° | 120.0° |
| C81 | C80 | C79 | H91 | 113.2° | 120.0° |
| C81 | C80 | C87 | H91 | 113.7° | 120.0° |
| C80 | C81 | C82 | H87 | 14.9° | 59.9° |
| C80 | C81 | C82 | H88 | 108.6° | 60.0° |
| C80 | C81 | H89 | H90 | 115.5° | 120.0° |
| C81 | C80 | C79 | H92 | 180.0° | 60.0° |
| C81 | C80 | C79 | H93 | 60.0° | 60.0° |
| C81 | C80 | C79 | H94 | 60.0° | 180.0° |
| C81 | C80 | C87 | H95 | 180.0° | 180.0° |
| C81 | C80 | C87 | H96 | 60.0° | 60.0° |
| C81 | C80 | C87 | H97 | 60.0° | 60.0° |
| C79 | C80 | C87 | H91 | 113.4° | 120.0° |
| C79 | C80 | C81 | H89 | 141.4° | 55.0° |
| C79 | C80 | C81 | H90 | 24.3° | 65.0° |
| C80 | C79 | H92 | H93 | 120.0° | 120.0° |
| C80 | C79 | H92 | H94 | 120.0° | 120.0° |
| C80 | C79 | H93 | H94 | 120.0° | 120.0° |
| C79 | C80 | C87 | H95 | 47.0° | 60.1° |
| C79 | C80 | C87 | H96 | 73.0° | 179.9° |
| C79 | C80 | C87 | H97 | 167.1° | 60.0° |
| C87 | C80 | C81 | H89 | 85.5° | 175.0° |
| C87 | C80 | C81 | H90 | 157.3° | 54.9° |
| C87 | C80 | C79 | H92 | 46.6° | 60.0° |
| C87 | C80 | C79 | H93 | 166.6° | 180.0° |
| C87 | C80 | C79 | H94 | 73.4° | 60.0° |
| C80 | C87 | H95 | H96 | 120.0° | 120.0° |
| C80 | C87 | H95 | H97 | 120.0° | 120.0° |
| C80 | C87 | H96 | H97 | 120.0° | 120.0° |
| H79 | C86 | C85 | H81 | 171.5° | 180.0° |
| H79 | C86 | C85 | H82 | 53.3° | 60.0° |
| H79 | C86 | C88 | N9 | 138.0° | 60.0° |
| H80 | C86 | C85 | H81 | 70.3° | 60.0° |
| H80 | C86 | C85 | H82 | 171.5° | 180.0° |
| H80 | C86 | C88 | N9 | 103.8° | 60.0° |
| H81 | C85 | C84 | H83 | 94.4° | 180.0° |
| H81 | C85 | C84 | H84 | 143.5° | 60.0° |
| H82 | C85 | C84 | H83 | 23.8° | 60.1° |
| H82 | C85 | C84 | H84 | 98.3° | 180.0° |
| H83 | C84 | C83 | H85 | 153.0° | 180.0° |
| H83 | C84 | C83 | H86 | 89.5° | 60.0° |
| H84 | C84 | C83 | H85 | 30.9° | 60.0° |
| H84 | C84 | C83 | H86 | 148.4° | 180.0° |
| H85 | C83 | C82 | H87 | 124.5° | 180.0° |
| H85 | C83 | C82 | H88 | 112.1° | 60.1° |
| H86 | C83 | C82 | H87 | 7.0° | 60.0° |
| H86 | C83 | C82 | H88 | 130.4° | 179.9° |
| H87 | C82 | C81 | H89 | 136.3° | 179.9° |
| H87 | C82 | C81 | H90 | 106.6° | 60.0° |
| H88 | C82 | C81 | H89 | 12.8° | 60.0° |
| H88 | C82 | C81 | H90 | 130.0° | 179.9° |
| H89 | C81 | C80 | H91 | 28.2° | 65.0° |
| H90 | C81 | C80 | H91 | 89.0° | 175.0° |
| H91 | C80 | C79 | H92 | 66.8° | 180.0° |
| H91 | C80 | C79 | H93 | 53.3° | 60.0° |
| H91 | C80 | C79 | H94 | 173.2° | 60.0° |
| H91 | C80 | C87 | H95 | 66.3° | 60.0° |
| H91 | C80 | C87 | H96 | 173.6° | 60.0° |
| H91 | C80 | C87 | H97 | 53.7° | NaN° |
| H92 | C79 | H93 | H94 | 120.0° | 120.0° |
| H95 | C87 | H96 | H97 | 120.0° | 120.0° |
