PRD_001136
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.46Å | |
| C1 | O3 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | O1 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.48Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O1 | H5 | sing | 0.97Å | 0.95Å | |
| C4 | O2 | sing | 1.43Å | 1.38Å | |
| C4 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| O2 | C5 | sing | 1.43Å | 1.42Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | sing | 1.43Å | 1.45Å | |
| C6 | C7 | sing | 1.53Å | 1.49Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| O4 | C8 | sing | 1.43Å | 1.44Å | |
| C8 | C9 | sing | 1.53Å | 1.47Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | O5 | sing | 1.43Å | 1.44Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | O6 | sing | 1.45Å | 1.50Å | |
| C11 | C14 | sing | 1.53Å | 1.49Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| O6 | C13 | sing | 1.34Å | 1.33Å | |
| C12 | C13 | sing | 1.51Å | 1.41Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | O7 | doub | 1.21Å | 1.24Å | |
| C14 | O4 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| O8 | C16 | doub | 1.21Å | 1.24Å | |
| C34 | C16 | sing | 1.47Å | 1.45Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C17 | O16 | sing | 1.43Å | 1.41Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C25 | sing | 1.53Å | 1.58Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | C20 | doub | 1.38Å | 1.35Å | Aromatic |
| C20 | C32 | sing | 1.40Å | 1.38Å | Aromatic |
| C20 | H30 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| O15 | C21 | sing | 1.36Å | 1.40Å | |
| C35 | C22 | sing | 1.51Å | 1.49Å | |
| C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| O9 | C23 | sing | 1.36Å | 1.32Å | |
| C23 | C33 | sing | 1.41Å | 1.47Å | Aromatic |
| O9 | H31 | sing | 0.97Å | 0.95Å | |
| O10 | C24 | sing | 1.35Å | 1.35Å | |
| C33 | C24 | doub | 1.41Å | 1.41Å | Aromatic |
| C24 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| O10 | H32 | sing | 0.97Å | 0.95Å | |
| C27 | C25 | sing | 1.51Å | 1.45Å | |
| C25 | O11 | sing | 1.43Å | 1.43Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| O11 | C36 | sing | 1.43Å | 1.49Å | |
| C32 | C26 | doub | 1.41Å | 1.40Å | Aromatic |
| C26 | C30 | sing | 1.36Å | 1.37Å | Aromatic |
| C26 | H34 | sing | 1.08Å | 1.08Å | |
| O12 | C27 | doub | 1.21Å | 1.22Å | |
| C27 | C28 | sing | 1.51Å | 1.54Å | |
| O13 | C28 | sing | 1.43Å | 1.46Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| O13 | H36 | sing | 0.97Å | 0.95Å | |
| O14 | C29 | sing | 1.43Å | 1.47Å | |
| C29 | C31 | sing | 1.53Å | 1.48Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| O14 | H38 | sing | 0.97Å | 0.95Å | |
| C34 | C30 | doub | 1.41Å | 1.48Å | Aromatic |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | C32 | sing | 1.42Å | 1.47Å | Aromatic |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C35 | H43 | sing | 1.09Å | 1.10Å | |
| C35 | H44 | sing | 1.09Å | 1.10Å | |
| C36 | H45 | sing | 1.09Å | 1.10Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.49Å | |
| C37 | O17 | sing | 1.43Å | 1.41Å | |
| C37 | H48 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | H49 | sing | 1.09Å | 1.10Å | |
| C38 | H50 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.48Å | |
| C39 | O18 | sing | 1.43Å | 1.43Å | |
| C39 | H51 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C40 | O19 | sing | 1.43Å | 1.44Å | |
| C40 | H52 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C41 | O17 | sing | 1.43Å | 1.42Å | |
| C41 | H53 | sing | 1.09Å | 1.10Å | |
| C42 | H54 | sing | 1.09Å | 1.10Å | |
| C42 | H55 | sing | 1.09Å | 1.10Å | |
| C42 | H56 | sing | 1.09Å | 1.10Å | |
| O19 | H57 | sing | 0.97Å | 0.95Å | |
| C43 | C44 | sing | 1.53Å | 1.48Å | |
| C43 | O20 | sing | 1.43Å | 1.46Å | |
| C43 | H58 | sing | 1.09Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.48Å | |
| C44 | H59 | sing | 1.09Å | 1.10Å | |
| C44 | H60 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C45 | O21 | sing | 1.43Å | 1.45Å | |
| C45 | H61 | sing | 1.09Å | 1.10Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| C46 | O22 | sing | 1.43Å | 1.43Å | |
| C46 | H62 | sing | 1.09Å | 1.10Å | |
| C47 | C48 | sing | 1.53Å | 1.49Å | |
| C47 | O20 | sing | 1.43Å | 1.44Å | |
| C47 | H63 | sing | 1.09Å | 1.10Å | |
| C48 | H64 | sing | 1.09Å | 1.10Å | |
| C48 | H65 | sing | 1.09Å | 1.10Å | |
| C48 | H66 | sing | 1.09Å | 1.10Å | |
| O22 | H67 | sing | 0.97Å | 0.95Å | |
| C49 | C50 | sing | 1.53Å | 1.54Å | |
| C49 | O26 | sing | 1.43Å | 1.45Å | |
| C49 | H68 | sing | 1.09Å | 1.10Å | |
| C50 | C51 | sing | 1.53Å | 1.51Å | |
| C50 | H69 | sing | 1.09Å | 1.10Å | |
| C50 | H70 | sing | 1.09Å | 1.10Å | |
| C51 | O23 | sing | 1.43Å | 1.46Å | |
| C51 | C52 | sing | 1.53Å | 1.57Å | |
| C51 | C53 | sing | 1.53Å | 1.48Å | |
| O23 | H71 | sing | 0.97Å | 0.95Å | |
| C52 | H72 | sing | 1.09Å | 1.10Å | |
| C52 | H73 | sing | 1.09Å | 1.10Å | |
| C52 | H74 | sing | 1.09Å | 1.10Å | |
| C53 | O24 | sing | 1.45Å | 1.47Å | |
| C53 | C56 | sing | 1.53Å | 1.42Å | |
| C53 | H75 | sing | 1.09Å | 1.10Å | |
| O24 | C55 | sing | 1.34Å | 1.34Å | |
| C54 | C55 | sing | 1.51Å | 1.49Å | |
| C54 | H76 | sing | 1.09Å | 1.10Å | |
| C54 | H77 | sing | 1.09Å | 1.10Å | |
| C54 | H78 | sing | 1.09Å | 1.10Å | |
| C55 | O25 | doub | 1.21Å | 1.20Å | |
| C56 | O26 | sing | 1.43Å | 1.42Å | |
| C56 | C57 | sing | 1.53Å | 1.53Å | |
| C56 | H79 | sing | 1.09Å | 1.10Å | |
| C57 | H80 | sing | 1.09Å | 1.10Å | |
| C57 | H81 | sing | 1.09Å | 1.10Å | |
| C57 | H82 | sing | 1.09Å | 1.10Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C8 | O15 | sing | 1.43Å | 1.39Å | |
| O16 | C37 | sing | 1.43Å | 1.45Å | |
| O18 | C43 | sing | 1.43Å | 1.39Å | |
| O21 | C49 | sing | 1.43Å | 1.39Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O3 | 112.2° | 109.4° |
| C2 | C1 | H1 | 109.8° | 109.5° |
| C1 | C2 | C3 | 114.5° | 109.2° |
| C1 | C2 | H2 | 108.2° | 109.6° |
| C1 | C2 | H3 | 108.2° | 109.6° |
| C2 | C1 | O5 | 104.8° | 109.5° |
| O3 | C1 | H1 | 110.2° | 109.5° |
| C1 | O3 | C6 | 116.3° | 114.1° |
| O3 | C1 | O5 | 109.3° | 109.5° |
| H1 | C1 | O5 | 110.4° | 109.5° |
| C3 | C2 | H2 | 108.2° | 109.5° |
| C3 | C2 | H3 | 108.2° | 109.5° |
| C2 | C3 | O1 | 113.3° | 109.5° |
| C2 | C3 | C4 | 110.0° | 109.0° |
| C2 | C3 | H4 | 106.6° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| O1 | C3 | C4 | 112.0° | 109.6° |
| O1 | C3 | H4 | 107.6° | 109.6° |
| C3 | O1 | H5 | 109.5° | 114.0° |
| C4 | C3 | H4 | 107.0° | 109.6° |
| C3 | C4 | O2 | 110.1° | 109.5° |
| C3 | C4 | C6 | 111.4° | 109.1° |
| C3 | C4 | H6 | 108.4° | 109.6° |
| O2 | C4 | C6 | 109.6° | 109.5° |
| O2 | C4 | H6 | 109.7° | 109.5° |
| C4 | O2 | C5 | 117.8° | 114.0° |
| C6 | C4 | H6 | 107.6° | 109.6° |
| C4 | C6 | O3 | 107.3° | 109.4° |
| C4 | C6 | C7 | 116.8° | 109.5° |
| C4 | C6 | H10 | 108.4° | 109.5° |
| O2 | C5 | H7 | 109.5° | 109.4° |
| O2 | C5 | H8 | 109.5° | 109.5° |
| O2 | C5 | H9 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.4° |
| H7 | C5 | H9 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.4° | 109.5° |
| O3 | C6 | C7 | 105.5° | 109.5° |
| O3 | C6 | H10 | 109.6° | 109.5° |
| C7 | C6 | H10 | 109.1° | 109.4° |
| C6 | C7 | H11 | 109.5° | 109.4° |
| C6 | C7 | H12 | 109.4° | 109.5° |
| C6 | C7 | H13 | 109.5° | 109.4° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H11 | C7 | H13 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.4° | 109.5° |
| O4 | C8 | C9 | 110.1° | 109.4° |
| O4 | C8 | H14 | 108.8° | 109.5° |
| C8 | O4 | C14 | 110.3° | 114.1° |
| O4 | C8 | O15 | 110.9° | 109.5° |
| C9 | C8 | H14 | 108.3° | 109.5° |
| C8 | C9 | C10 | 112.6° | 109.2° |
| C8 | C9 | H15 | 108.7° | 109.6° |
| C8 | C9 | H16 | 108.6° | 109.6° |
| C9 | C8 | O15 | 109.3° | 109.5° |
| H14 | C8 | O15 | 109.4° | 109.4° |
| C10 | C9 | H15 | 108.6° | 109.5° |
| C10 | C9 | H16 | 108.7° | 109.5° |
| C9 | C10 | O5 | 107.9° | 109.5° |
| C9 | C10 | C11 | 110.2° | 109.0° |
| C9 | C10 | H17 | 108.8° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.6° |
| O5 | C10 | C11 | 111.7° | 109.6° |
| O5 | C10 | H17 | 109.8° | 109.6° |
| C10 | O5 | C1 | 115.3° | 114.0° |
| C11 | C10 | H17 | 108.4° | 109.6° |
| C10 | C11 | O6 | 108.4° | 109.6° |
| C10 | C11 | C14 | 112.2° | 109.2° |
| C10 | C11 | H18 | 109.4° | 109.5° |
| O6 | C11 | C14 | 106.8° | 109.5° |
| O6 | C11 | H18 | 109.9° | 109.5° |
| C11 | O6 | C13 | 122.3° | 117.0° |
| C14 | C11 | H18 | 110.1° | 109.6° |
| C11 | C14 | O4 | 109.7° | 109.4° |
| C11 | C14 | C15 | 115.9° | 109.5° |
| C11 | C14 | H22 | 108.1° | 109.5° |
| O6 | C13 | C12 | 116.3° | 120.0° |
| O6 | C13 | O7 | 117.4° | 120.0° |
| C13 | C12 | H19 | 109.5° | 109.5° |
| C13 | C12 | H20 | 109.5° | 109.5° |
| C13 | C12 | H21 | 109.5° | 109.5° |
| C12 | C13 | O7 | 126.4° | 120.0° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| H19 | C12 | H21 | 109.4° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| O4 | C14 | C15 | 106.5° | 109.5° |
| O4 | C14 | H22 | 108.9° | 109.5° |
| C15 | C14 | H22 | 107.6° | 109.4° |
| C14 | C15 | H23 | 109.5° | 109.5° |
| C14 | C15 | H24 | 109.5° | 109.5° |
| C14 | C15 | H25 | 109.5° | 109.5° |
| H23 | C15 | H24 | 109.5° | 109.4° |
| H23 | C15 | H25 | 109.5° | 109.5° |
| H24 | C15 | H25 | 109.4° | 109.5° |
| O8 | C16 | C34 | 124.1° | 121.2° |
| O8 | C16 | C17 | 114.6° | 121.1° |
| C34 | C16 | C17 | 121.3° | 117.7° |
| C16 | C34 | C24 | 124.4° | 119.3° |
| C16 | C34 | C30 | 117.1° | 120.0° |
| C16 | C17 | O16 | 112.3° | 109.9° |
| C16 | C17 | C18 | 111.3° | 107.4° |
| C16 | C17 | H26 | 107.8° | 109.9° |
| O16 | C17 | C18 | 108.3° | 109.9° |
| O16 | C17 | H26 | 109.1° | 109.8° |
| C17 | O16 | C37 | 117.6° | 114.0° |
| C18 | C17 | H26 | 107.8° | 109.9° |
| C17 | C18 | C19 | 110.9° | 109.3° |
| C17 | C18 | C25 | 113.8° | 109.5° |
| C17 | C18 | H27 | 107.7° | 109.5° |
| C19 | C18 | C25 | 109.9° | 109.4° |
| C19 | C18 | H27 | 107.3° | 109.5° |
| C18 | C19 | C30 | 113.7° | 111.2° |
| C18 | C19 | H28 | 108.4° | 109.1° |
| C18 | C19 | H29 | 108.4° | 109.1° |
| C25 | C18 | H27 | 106.9° | 109.6° |
| C18 | C25 | C27 | 112.1° | 109.4° |
| C18 | C25 | O11 | 104.9° | 109.5° |
| C18 | C25 | H33 | 107.6° | 109.5° |
| C30 | C19 | H28 | 108.4° | 109.2° |
| C30 | C19 | H29 | 108.4° | 109.1° |
| C19 | C30 | C26 | 118.7° | 118.6° |
| C19 | C30 | C34 | 121.1° | 121.3° |
| H28 | C19 | H29 | 109.5° | 109.1° |
| C21 | C20 | C32 | 121.1° | 119.9° |
| C21 | C20 | H30 | 119.5° | 120.0° |
| C20 | C21 | C22 | 124.8° | 120.8° |
| C20 | C21 | O15 | 122.7° | 119.6° |
| C32 | C20 | H30 | 119.4° | 120.0° |
| C20 | C32 | C26 | 123.1° | 120.8° |
| C20 | C32 | C33 | 119.4° | 119.3° |
| C22 | C21 | O15 | 112.5° | 119.6° |
| C21 | C22 | C35 | 122.8° | 119.7° |
| C21 | C22 | C23 | 116.3° | 120.8° |
| C21 | O15 | C8 | 119.5° | 117.0° |
| C35 | C22 | C23 | 120.9° | 119.6° |
| C22 | C35 | H42 | 109.5° | 109.5° |
| C22 | C35 | H43 | 109.4° | 109.5° |
| C22 | C35 | H44 | 109.5° | 109.5° |
| C22 | C23 | O9 | 118.7° | 120.2° |
| C22 | C23 | C33 | 121.5° | 119.4° |
| O9 | C23 | C33 | 119.8° | 120.3° |
| C23 | O9 | H31 | 109.5° | 114.0° |
| C23 | C33 | C24 | 122.8° | 121.0° |
| C23 | C33 | C32 | 116.7° | 119.8° |
| O10 | C24 | C33 | 117.1° | 120.3° |
| O10 | C24 | C34 | 122.4° | 120.3° |
| C24 | O10 | H32 | 109.5° | 114.1° |
| C33 | C24 | C34 | 120.4° | 119.4° |
| C24 | C33 | C32 | 120.5° | 119.2° |
| C24 | C34 | C30 | 118.4° | 120.7° |
| C27 | C25 | O11 | 113.5° | 109.5° |
| C27 | C25 | H33 | 109.1° | 109.5° |
| C25 | C27 | O12 | 120.5° | 120.0° |
| C25 | C27 | C28 | 120.4° | 120.0° |
| O11 | C25 | H33 | 109.4° | 109.5° |
| C25 | O11 | C36 | 112.8° | 114.0° |
| O11 | C36 | H45 | 109.5° | 109.4° |
| O11 | C36 | H46 | 109.4° | 109.5° |
| O11 | C36 | H47 | 109.5° | 109.5° |
| C32 | C26 | C30 | 122.6° | 120.7° |
| C32 | C26 | H34 | 118.7° | 119.6° |
| C26 | C32 | C33 | 117.5° | 119.8° |
| C30 | C26 | H34 | 118.7° | 119.7° |
| C26 | C30 | C34 | 120.2° | 120.1° |
| O12 | C27 | C28 | 119.1° | 120.0° |
| C27 | C28 | O13 | 108.2° | 109.5° |
| C27 | C28 | C29 | 112.6° | 109.5° |
| C27 | C28 | H35 | 106.8° | 109.5° |
| O13 | C28 | C29 | 114.2° | 109.5° |
| O13 | C28 | H35 | 107.7° | 109.5° |
| C28 | O13 | H36 | 109.5° | 114.0° |
| C29 | C28 | H35 | 107.1° | 109.5° |
| C28 | C29 | O14 | 105.4° | 109.5° |
| C28 | C29 | C31 | 108.3° | 109.4° |
| C28 | C29 | H37 | 109.2° | 109.5° |
| O14 | C29 | C31 | 114.4° | 109.5° |
| O14 | C29 | H37 | 109.8° | 109.5° |
| C29 | O14 | H38 | 109.5° | 114.0° |
| C31 | C29 | H37 | 109.6° | 109.4° |
| C29 | C31 | H39 | 109.5° | 109.5° |
| C29 | C31 | H40 | 109.4° | 109.5° |
| C29 | C31 | H41 | 109.5° | 109.5° |
| H39 | C31 | H40 | 109.5° | 109.5° |
| H39 | C31 | H41 | 109.5° | 109.5° |
| H40 | C31 | H41 | 109.5° | 109.4° |
| H42 | C35 | H43 | 109.5° | 109.4° |
| H42 | C35 | H44 | 109.5° | 109.5° |
| H43 | C35 | H44 | 109.4° | 109.5° |
| H45 | C36 | H46 | 109.4° | 109.5° |
| H45 | C36 | H47 | 109.5° | 109.5° |
| H46 | C36 | H47 | 109.5° | 109.4° |
| C38 | C37 | O17 | 111.7° | 109.4° |
| C38 | C37 | H48 | 109.9° | 109.5° |
| C37 | C38 | C39 | 110.8° | 109.2° |
| C37 | C38 | H49 | 109.1° | 109.6° |
| C37 | C38 | H50 | 109.1° | 109.5° |
| C38 | C37 | O16 | 107.7° | 109.5° |
| O17 | C37 | H48 | 111.2° | 109.5° |
| C37 | O17 | C41 | 109.2° | 114.1° |
| O17 | C37 | O16 | 105.7° | 109.5° |
| H48 | C37 | O16 | 110.5° | 109.5° |
| C39 | C38 | H49 | 109.2° | 109.5° |
| C39 | C38 | H50 | 109.2° | 109.5° |
| C38 | C39 | C40 | 109.5° | 109.0° |
| C38 | C39 | O18 | 104.0° | 109.6° |
| C38 | C39 | H51 | 109.0° | 109.5° |
| H49 | C38 | H50 | 109.4° | 109.6° |
| C40 | C39 | O18 | 114.0° | 109.5° |
| C40 | C39 | H51 | 109.7° | 109.6° |
| C39 | C40 | C41 | 111.2° | 109.2° |
| C39 | C40 | O19 | 110.4° | 109.5° |
| C39 | C40 | H52 | 109.4° | 109.5° |
| O18 | C39 | H51 | 110.4° | 109.6° |
| C39 | O18 | C43 | 117.9° | 114.0° |
| C41 | C40 | O19 | 107.2° | 109.5° |
| C41 | C40 | H52 | 108.9° | 109.5° |
| C40 | C41 | C42 | 112.9° | 109.5° |
| C40 | C41 | O17 | 108.3° | 109.4° |
| C40 | C41 | H53 | 109.2° | 109.5° |
| O19 | C40 | H52 | 109.9° | 109.6° |
| C40 | O19 | H57 | 109.5° | 114.0° |
| C42 | C41 | O17 | 106.8° | 109.5° |
| C42 | C41 | H53 | 109.2° | 109.5° |
| C41 | C42 | H54 | 109.5° | 109.5° |
| C41 | C42 | H55 | 109.5° | 109.5° |
| C41 | C42 | H56 | 109.5° | 109.5° |
| O17 | C41 | H53 | 110.5° | 109.5° |
| H54 | C42 | H55 | 109.5° | 109.5° |
| H54 | C42 | H56 | 109.5° | 109.5° |
| H55 | C42 | H56 | 109.5° | 109.5° |
| C44 | C43 | O20 | 108.4° | 109.5° |
| C44 | C43 | H58 | 109.4° | 109.5° |
| C43 | C44 | C45 | 114.7° | 109.1° |
| C43 | C44 | H59 | 108.2° | 109.5° |
| C43 | C44 | H60 | 108.2° | 109.5° |
| C44 | C43 | O18 | 111.3° | 109.5° |
| O20 | C43 | H58 | 109.9° | 109.5° |
| C43 | O20 | C47 | 111.6° | 114.1° |
| O20 | C43 | O18 | 107.0° | 109.5° |
| H58 | C43 | O18 | 110.8° | 109.5° |
| C45 | C44 | H59 | 108.1° | 109.5° |
| C45 | C44 | H60 | 108.2° | 109.5° |
| C44 | C45 | C46 | 110.7° | 109.0° |
| C44 | C45 | O21 | 108.3° | 109.6° |
| C44 | C45 | H61 | 109.6° | 109.6° |
| H59 | C44 | H60 | 109.5° | 109.6° |
| C46 | C45 | O21 | 109.5° | 109.5° |
| C46 | C45 | H61 | 108.9° | 109.5° |
| C45 | C46 | C47 | 109.1° | 109.2° |
| C45 | C46 | O22 | 110.3° | 109.5° |
| C45 | C46 | H62 | 108.1° | 109.5° |
| O21 | C45 | H61 | 109.9° | 109.6° |
| C45 | O21 | C49 | 115.5° | 114.0° |
| C47 | C46 | O22 | 111.8° | 109.5° |
| C47 | C46 | H62 | 108.1° | 109.6° |
| C46 | C47 | C48 | 110.8° | 109.5° |
| C46 | C47 | O20 | 110.8° | 109.4° |
| C46 | C47 | H63 | 109.8° | 109.5° |
| O22 | C46 | H62 | 109.2° | 109.6° |
| C46 | O22 | H67 | 109.5° | 113.9° |
| C48 | C47 | O20 | 104.1° | 109.5° |
| C48 | C47 | H63 | 110.2° | 109.5° |
| C47 | C48 | H64 | 109.5° | 109.5° |
| C47 | C48 | H65 | 109.5° | 109.5° |
| C47 | C48 | H66 | 109.5° | 109.5° |
| O20 | C47 | H63 | 111.0° | 109.4° |
| H64 | C48 | H65 | 109.5° | 109.4° |
| H64 | C48 | H66 | 109.4° | 109.5° |
| H65 | C48 | H66 | 109.5° | 109.5° |
| C50 | C49 | O26 | 113.2° | 109.4° |
| C50 | C49 | H68 | 106.5° | 109.5° |
| C49 | C50 | C51 | 110.1° | 109.2° |
| C49 | C50 | H69 | 109.3° | 109.5° |
| C49 | C50 | H70 | 109.3° | 109.6° |
| C50 | C49 | O21 | 110.3° | 109.5° |
| O26 | C49 | H68 | 107.6° | 109.5° |
| C49 | O26 | C56 | 113.2° | 114.1° |
| O26 | C49 | O21 | 110.6° | 109.4° |
| H68 | C49 | O21 | 108.4° | 109.5° |
| C51 | C50 | H69 | 109.3° | 109.5° |
| C51 | C50 | H70 | 109.3° | 109.5° |
| C50 | C51 | O23 | 102.6° | 109.6° |
| C50 | C51 | C52 | 115.7° | 109.6° |
| C50 | C51 | C53 | 108.8° | 109.0° |
| H69 | C50 | H70 | 109.5° | 109.5° |
| O23 | C51 | C52 | 106.4° | 109.5° |
| O23 | C51 | C53 | 109.1° | 109.6° |
| C51 | O23 | H71 | 109.5° | 114.0° |
| C52 | C51 | C53 | 113.5° | 109.6° |
| C51 | C52 | H72 | 109.5° | 109.5° |
| C51 | C52 | H73 | 109.5° | 109.4° |
| C51 | C52 | H74 | 109.5° | 109.5° |
| C51 | C53 | O24 | 106.3° | 109.6° |
| C51 | C53 | C56 | 114.9° | 109.2° |
| C51 | C53 | H75 | 108.0° | 109.5° |
| H72 | C52 | H73 | 109.5° | 109.4° |
| H72 | C52 | H74 | 109.4° | 109.5° |
| H73 | C52 | H74 | 109.5° | 109.5° |
| O24 | C53 | C56 | 110.3° | 109.5° |
| O24 | C53 | H75 | 108.2° | 109.5° |
| C53 | O24 | C55 | 119.2° | 117.0° |
| C56 | C53 | H75 | 108.8° | 109.6° |
| C53 | C56 | O26 | 112.7° | 109.4° |
| C53 | C56 | C57 | 116.9° | 109.5° |
| C53 | C56 | H79 | 108.0° | 109.5° |
| O24 | C55 | C54 | 116.0° | 120.0° |
| O24 | C55 | O25 | 119.7° | 120.0° |
| C55 | C54 | H76 | 109.5° | 109.5° |
| C55 | C54 | H77 | 109.5° | 109.5° |
| C55 | C54 | H78 | 109.4° | 109.4° |
| C54 | C55 | O25 | 123.7° | 120.0° |
| H76 | C54 | H77 | 109.5° | 109.5° |
| H76 | C54 | H78 | 109.5° | 109.5° |
| H77 | C54 | H78 | 109.5° | 109.5° |
| O26 | C56 | C57 | 104.0° | 109.5° |
| O26 | C56 | H79 | 108.1° | 109.5° |
| C57 | C56 | H79 | 106.8° | 109.5° |
| C56 | C57 | H80 | 109.5° | 109.5° |
| C56 | C57 | H81 | 109.5° | 109.4° |
| C56 | C57 | H82 | 109.4° | 109.4° |
| H80 | C57 | H81 | 109.5° | 109.5° |
| H80 | C57 | H82 | 109.5° | 109.5° |
| H81 | C57 | H82 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O3 | H1 | 122.7° | 120.0° |
| C2 | C1 | O3 | O5 | 115.8° | 120.0° |
| C2 | C1 | H1 | O5 | 115.1° | 120.0° |
| C1 | C2 | C3 | H2 | 120.7° | 120.0° |
| C1 | C2 | C3 | H3 | 120.7° | 119.9° |
| C1 | C2 | H2 | H3 | 117.7° | 120.2° |
| C1 | C2 | C3 | O1 | 176.6° | 62.9° |
| C1 | C2 | C3 | C4 | 50.3° | 57.0° |
| C1 | C2 | C3 | H4 | 65.3° | 176.9° |
| C2 | C1 | O3 | C6 | 52.1° | 61.2° |
| C2 | C1 | O5 | C10 | 169.5° | 169.9° |
| O3 | C1 | H1 | O5 | 120.8° | 120.0° |
| O3 | C1 | C2 | C3 | 47.3° | 57.6° |
| O3 | C1 | C2 | H2 | 168.0° | 62.3° |
| O3 | C1 | C2 | H3 | 73.5° | 177.5° |
| C1 | O3 | C6 | C4 | 56.1° | 61.2° |
| C1 | O3 | C6 | C7 | 178.7° | 58.8° |
| C1 | O3 | C6 | H10 | 61.4° | 178.8° |
| O3 | C1 | O5 | C10 | 70.1° | 70.1° |
| H1 | C1 | C2 | C3 | 170.2° | 62.4° |
| H1 | C1 | C2 | H2 | 69.1° | 177.7° |
| H1 | C1 | C2 | H3 | 49.4° | 57.5° |
| H1 | C1 | O3 | C6 | 174.8° | 58.8° |
| H1 | C1 | O5 | C10 | 51.2° | 49.9° |
| C3 | C2 | H2 | H3 | 117.7° | 120.1° |
| C2 | C3 | O1 | C4 | 125.1° | 119.5° |
| C2 | C3 | O1 | H4 | 117.6° | 120.2° |
| C2 | C3 | C4 | H4 | 115.4° | 119.8° |
| C2 | C3 | O1 | H5 | 180.0° | 60.0° |
| C2 | C3 | C4 | O2 | 66.4° | 176.9° |
| C2 | C3 | C4 | C6 | 55.3° | 57.0° |
| C2 | C3 | C4 | H6 | 173.6° | 63.0° |
| C3 | C2 | C1 | O5 | 71.2° | 177.6° |
| H2 | C2 | C3 | O1 | 62.7° | 177.2° |
| H2 | C2 | C3 | C4 | 171.1° | 63.0° |
| H2 | C2 | C3 | H4 | 55.4° | 56.9° |
| H2 | C2 | C1 | O5 | 49.5° | 57.7° |
| H3 | C2 | C3 | O1 | 55.8° | 57.1° |
| H3 | C2 | C3 | C4 | 70.4° | 176.9° |
| H3 | C2 | C3 | H4 | 173.9° | 63.2° |
| H3 | C2 | C1 | O5 | 168.0° | 62.5° |
| O1 | C3 | C4 | H4 | 117.7° | 120.3° |
| O1 | C3 | C4 | O2 | 60.5° | 57.0° |
| O1 | C3 | C4 | C6 | 177.8° | 62.9° |
| O1 | C3 | C4 | H6 | 59.5° | 177.2° |
| C4 | C3 | O1 | H5 | 54.9° | 179.6° |
| C3 | C4 | O2 | C6 | 122.9° | 119.6° |
| C3 | C4 | O2 | H6 | 119.2° | 120.2° |
| C3 | C4 | C6 | H6 | 118.7° | 120.0° |
| C3 | C4 | O2 | C5 | 113.7° | 150.1° |
| C3 | C4 | C6 | O3 | 57.6° | 57.6° |
| C3 | C4 | C6 | C7 | 175.7° | 62.4° |
| C3 | C4 | C6 | H10 | 60.7° | 177.6° |
| H4 | C3 | O1 | H5 | 62.4° | 60.1° |
| H4 | C3 | C4 | O2 | 178.1° | 63.3° |
| H4 | C3 | C4 | C6 | 60.1° | 176.8° |
| H4 | C3 | C4 | H6 | 58.1° | 56.9° |
| O2 | C4 | C6 | H6 | 119.3° | 120.2° |
| C4 | O2 | C5 | H7 | 180.0° | 60.0° |
| C4 | O2 | C5 | H8 | 60.0° | 180.0° |
| C4 | O2 | C5 | H9 | 60.0° | 60.0° |
| O2 | C4 | C6 | O3 | 64.5° | 177.5° |
| O2 | C4 | C6 | C7 | 53.6° | 57.5° |
| O2 | C4 | C6 | H10 | 177.2° | 62.5° |
| C6 | C4 | O2 | C5 | 123.5° | 90.3° |
| C4 | C6 | O3 | C7 | 125.2° | 120.0° |
| C4 | C6 | O3 | H10 | 117.5° | 120.0° |
| C4 | C6 | C7 | H10 | 123.3° | 120.0° |
| C4 | C6 | C7 | H11 | 180.0° | 67.9° |
| C4 | C6 | C7 | H12 | 60.0° | 172.1° |
| C4 | C6 | C7 | H13 | 60.0° | 52.1° |
| H6 | C4 | O2 | C5 | 5.5° | 29.9° |
| H6 | C4 | C6 | O3 | 176.2° | 62.3° |
| H6 | C4 | C6 | C7 | 65.7° | 177.7° |
| H6 | C4 | C6 | H10 | 58.0° | 57.7° |
| O2 | C5 | H7 | H8 | 120.0° | 119.9° |
| O2 | C5 | H7 | H9 | 120.0° | 120.0° |
| O2 | C5 | H8 | H9 | 120.0° | 120.0° |
| H7 | C5 | H8 | H9 | 120.0° | 120.1° |
| O3 | C6 | C7 | H10 | 117.6° | 120.0° |
| O3 | C6 | C7 | H11 | 60.9° | 52.1° |
| O3 | C6 | C7 | H12 | 179.1° | 67.9° |
| O3 | C6 | C7 | H13 | 59.1° | 172.0° |
| C6 | O3 | C1 | O5 | 63.7° | 178.8° |
| C6 | C7 | H11 | H12 | 120.0° | 120.0° |
| C6 | C7 | H11 | H13 | 120.0° | 119.9° |
| C6 | C7 | H12 | H13 | 120.0° | 120.0° |
| H10 | C6 | C7 | H11 | 56.7° | 172.1° |
| H10 | C6 | C7 | H12 | 63.3° | 52.1° |
| H10 | C6 | C7 | H13 | 176.8° | 68.0° |
| H11 | C7 | H12 | H13 | 120.0° | 120.1° |
| O4 | C8 | C9 | H14 | 118.8° | 120.0° |
| O4 | C8 | C9 | O15 | 122.0° | 120.0° |
| O4 | C8 | H14 | O15 | 121.3° | 120.0° |
| O4 | C8 | C9 | C10 | 56.0° | 57.6° |
| O4 | C8 | C9 | H15 | 176.5° | 177.5° |
| O4 | C8 | C9 | H16 | 64.5° | 62.3° |
| C8 | O4 | C14 | C11 | 64.9° | 61.1° |
| C8 | O4 | C14 | C15 | 168.9° | 178.9° |
| C8 | O4 | C14 | H22 | 53.2° | 58.9° |
| O4 | C8 | O15 | C21 | 68.5° | 65.0° |
| C9 | C8 | H14 | O15 | 119.1° | 120.0° |
| C8 | C9 | C10 | H15 | 120.5° | 119.9° |
| C8 | C9 | C10 | H16 | 120.4° | 120.0° |
| C8 | C9 | H15 | H16 | 118.5° | 120.2° |
| C8 | C9 | C10 | O5 | 168.5° | 176.9° |
| C8 | C9 | C10 | C11 | 46.3° | 57.0° |
| C8 | C9 | C10 | H17 | 72.5° | 63.0° |
| C9 | C8 | O4 | C14 | 65.3° | 61.1° |
| C9 | C8 | O15 | C21 | 170.0° | 175.1° |
| H14 | C8 | C9 | C10 | 62.8° | 62.4° |
| H14 | C8 | C9 | H15 | 57.6° | 57.5° |
| H14 | C8 | C9 | H16 | 176.7° | 177.7° |
| H14 | C8 | O4 | C14 | 53.2° | 58.9° |
| H14 | C8 | O15 | C21 | 51.5° | 55.0° |
| C10 | C9 | H15 | H16 | 118.6° | 120.1° |
| C9 | C10 | O5 | C11 | 121.3° | 119.5° |
| C9 | C10 | O5 | H17 | 118.4° | 120.1° |
| C9 | C10 | C11 | H17 | 119.0° | 119.9° |
| C9 | C10 | C11 | O6 | 71.8° | 62.9° |
| C9 | C10 | C11 | C14 | 45.9° | 57.0° |
| C9 | C10 | C11 | H18 | 168.4° | 176.9° |
| C9 | C10 | O5 | C1 | 157.0° | 90.0° |
| C10 | C9 | C8 | O15 | 178.0° | 177.6° |
| H15 | C9 | C10 | O5 | 71.0° | 63.2° |
| H15 | C9 | C10 | C11 | 166.8° | 176.9° |
| H15 | C9 | C10 | H17 | 48.0° | 56.9° |
| H15 | C9 | C8 | O15 | 61.5° | 62.5° |
| H16 | C9 | C10 | O5 | 48.0° | 56.9° |
| H16 | C9 | C10 | C11 | 74.2° | 63.0° |
| H16 | C9 | C10 | H17 | 167.0° | 177.1° |
| H16 | C9 | C8 | O15 | 57.6° | 57.7° |
| O5 | C10 | C11 | H17 | 121.1° | 120.3° |
| O5 | C10 | C11 | O6 | 48.1° | 56.9° |
| O5 | C10 | C11 | C14 | 165.8° | 176.8° |
| O5 | C10 | C11 | H18 | 71.7° | 63.2° |
| C10 | C11 | O6 | C14 | 121.1° | 119.7° |
| C10 | C11 | O6 | H18 | 119.4° | 120.1° |
| C10 | C11 | C14 | H18 | 122.1° | 119.9° |
| C10 | C11 | O6 | C13 | 111.0° | 150.0° |
| C10 | C11 | C14 | O4 | 55.3° | 57.6° |
| C10 | C11 | C14 | C15 | 175.9° | 177.6° |
| C10 | C11 | C14 | H22 | 63.3° | 62.4° |
| C11 | C10 | O5 | C1 | 81.8° | 150.4° |
| H17 | C10 | C11 | O6 | 169.1° | 177.2° |
| H17 | C10 | C11 | C14 | 73.1° | 62.9° |
| H17 | C10 | C11 | H18 | 49.4° | 57.1° |
| H17 | C10 | O5 | C1 | 38.6° | 30.1° |
| O6 | C11 | C14 | H18 | 119.3° | 120.1° |
| C11 | O6 | C13 | C12 | 175.4° | 180.0° |
| C11 | O6 | C13 | O7 | 3.6° | 0.1° |
| O6 | C11 | C14 | O4 | 63.4° | 62.3° |
| O6 | C11 | C14 | C15 | 57.2° | 57.7° |
| O6 | C11 | C14 | H22 | 178.0° | 177.7° |
| C14 | C11 | O6 | C13 | 127.8° | 90.3° |
| C11 | C14 | O4 | C15 | 126.2° | 120.0° |
| C11 | C14 | O4 | H22 | 118.1° | 120.0° |
| C11 | C14 | C15 | H22 | 121.1° | 120.1° |
| C11 | C14 | C15 | H23 | 180.0° | 60.0° |
| C11 | C14 | C15 | H24 | 60.0° | 180.0° |
| C11 | C14 | C15 | H25 | 60.0° | 60.0° |
| H18 | C11 | O6 | C13 | 8.4° | 29.8° |
| H18 | C11 | C14 | O4 | 177.3° | 177.6° |
| H18 | C11 | C14 | C15 | 62.1° | 62.5° |
| H18 | C11 | C14 | H22 | 58.8° | 57.6° |
| O6 | C13 | C12 | O7 | 178.9° | 180.0° |
| O6 | C13 | C12 | H19 | 178.9° | 90.0° |
| O6 | C13 | C12 | H20 | 61.1° | 150.1° |
| O6 | C13 | C12 | H21 | 58.9° | 30.1° |
| C13 | C12 | H19 | H20 | 120.0° | 120.0° |
| C13 | C12 | H19 | H21 | 120.0° | 120.0° |
| C13 | C12 | H20 | H21 | 120.0° | 120.0° |
| H19 | C12 | H20 | H21 | 120.0° | 120.0° |
| H19 | C12 | C13 | O7 | 0.0° | 90.0° |
| H20 | C12 | C13 | O7 | 120.0° | 30.0° |
| H21 | C12 | C13 | O7 | 120.0° | 150.0° |
| O4 | C14 | C15 | H22 | 116.6° | 120.0° |
| O4 | C14 | C15 | H23 | 57.6° | 60.0° |
| O4 | C14 | C15 | H24 | 177.7° | 60.0° |
| O4 | C14 | C15 | H25 | 62.4° | 179.9° |
| C14 | O4 | C8 | O15 | 173.6° | 178.9° |
| C14 | C15 | H23 | H24 | 120.0° | 120.0° |
| C14 | C15 | H23 | H25 | 120.0° | 120.0° |
| C14 | C15 | H24 | H25 | 120.0° | 120.0° |
| H22 | C14 | C15 | H23 | 58.9° | 179.9° |
| H22 | C14 | C15 | H24 | 61.1° | 60.0° |
| H22 | C14 | C15 | H25 | 178.9° | 60.1° |
| H23 | C15 | H24 | H25 | 120.0° | 120.0° |
| O8 | C16 | C34 | C17 | 177.6° | 179.7° |
| O8 | C16 | C17 | O16 | 19.1° | 103.3° |
| O8 | C16 | C17 | C18 | 140.8° | 137.2° |
| O8 | C16 | C17 | H26 | 101.1° | 17.6° |
| O8 | C16 | C34 | C24 | 13.6° | 11.1° |
| O8 | C16 | C34 | C30 | 170.7° | 168.2° |
| C34 | C16 | C17 | O16 | 158.8° | 76.4° |
| C34 | C16 | C17 | C18 | 37.1° | 43.1° |
| C34 | C16 | C17 | H26 | 81.1° | 162.7° |
| C16 | C34 | C30 | C19 | 2.5° | 1.1° |
| C16 | C34 | C24 | O10 | 3.7° | 0.3° |
| C16 | C34 | C24 | C33 | 175.0° | 179.7° |
| C16 | C34 | C24 | C30 | 175.6° | 179.3° |
| C16 | C34 | C30 | C26 | 178.9° | 179.3° |
| C16 | C17 | O16 | C18 | 123.4° | 118.0° |
| C16 | C17 | O16 | H26 | 119.5° | 121.0° |
| C16 | C17 | C18 | H26 | 118.1° | 119.6° |
| C16 | C17 | C18 | C19 | 56.5° | 64.3° |
| C16 | C17 | C18 | C25 | 179.0° | 55.6° |
| C16 | C17 | C18 | H27 | 60.7° | 175.8° |
| C17 | C16 | C34 | C24 | 168.8° | 168.6° |
| C17 | C16 | C34 | C30 | 6.9° | 12.1° |
| C16 | C17 | O16 | C37 | 78.9° | 90.0° |
| O16 | C17 | C18 | H26 | 117.9° | 120.9° |
| O16 | C17 | C18 | C19 | 179.5° | 55.2° |
| O16 | C17 | C18 | C25 | 55.0° | 175.1° |
| O16 | C17 | C18 | H27 | 63.3° | 64.7° |
| C17 | O16 | C37 | C38 | 164.6° | 175.0° |
| C17 | O16 | C37 | O17 | 75.9° | 65.0° |
| C17 | O16 | C37 | H48 | 44.5° | 55.0° |
| C17 | C18 | C19 | C25 | 126.7° | 119.9° |
| C17 | C18 | C19 | H27 | 117.5° | 120.0° |
| C17 | C18 | C25 | H27 | 118.8° | 120.1° |
| C17 | C18 | C19 | C30 | 48.1° | 54.6° |
| C17 | C18 | C19 | H28 | 72.5° | 175.1° |
| C17 | C18 | C19 | H29 | 168.7° | 65.7° |
| C17 | C18 | C25 | C27 | 166.3° | 65.9° |
| C17 | C18 | C25 | O11 | 70.1° | 174.2° |
| C17 | C18 | C25 | H33 | 46.3° | 54.2° |
| C18 | C17 | O16 | C37 | 157.7° | 152.0° |
| H26 | C17 | C18 | C19 | 61.6° | 176.1° |
| H26 | C17 | C18 | C25 | 62.9° | 64.0° |
| H26 | C17 | C18 | H27 | 178.8° | 56.2° |
| H26 | C17 | O16 | C37 | 40.6° | 31.0° |
| C19 | C18 | C25 | H27 | 116.2° | 120.0° |
| C18 | C19 | C30 | H28 | 120.6° | 120.5° |
| C18 | C19 | C30 | H29 | 120.6° | 120.4° |
| C18 | C19 | H28 | H29 | 118.1° | 119.1° |
| C19 | C18 | C25 | C27 | 68.7° | 174.3° |
| C19 | C18 | C25 | O11 | 54.9° | 54.4° |
| C19 | C18 | C25 | H33 | 171.3° | 65.7° |
| C18 | C19 | C30 | C26 | 157.9° | 157.5° |
| C18 | C19 | C30 | C34 | 18.6° | 22.8° |
| C25 | C18 | C19 | C30 | 174.8° | 65.3° |
| C25 | C18 | C19 | H28 | 54.2° | 55.2° |
| C25 | C18 | C19 | H29 | 64.6° | 174.4° |
| C18 | C25 | C27 | O11 | 118.6° | 119.9° |
| C18 | C25 | C27 | H33 | 119.1° | 120.0° |
| C18 | C25 | O11 | H33 | 115.1° | 120.0° |
| C18 | C25 | O11 | C36 | 131.8° | 122.1° |
| C18 | C25 | C27 | O12 | 52.2° | 93.1° |
| C18 | C25 | C27 | C28 | 129.0° | 86.9° |
| H27 | C18 | C19 | C30 | 69.3° | 174.6° |
| H27 | C18 | C19 | H28 | 170.0° | 64.9° |
| H27 | C18 | C19 | H29 | 51.3° | 54.2° |
| H27 | C18 | C25 | C27 | 47.5° | 54.3° |
| H27 | C18 | C25 | O11 | 171.0° | 65.7° |
| H27 | C18 | C25 | H33 | 72.5° | 174.3° |
| C30 | C19 | H28 | H29 | 118.0° | 119.1° |
| C19 | C30 | C34 | C24 | 178.5° | 179.6° |
| C19 | C30 | C26 | C32 | 176.2° | 179.7° |
| C19 | C30 | C26 | C34 | 176.5° | 179.6° |
| C19 | C30 | C26 | H34 | 3.8° | 0.3° |
| H28 | C19 | C30 | C26 | 81.4° | 37.1° |
| H28 | C19 | C30 | C34 | 102.1° | 143.3° |
| H29 | C19 | C30 | C26 | 37.3° | 82.1° |
| H29 | C19 | C30 | C34 | 139.2° | 97.6° |
| C21 | C20 | C32 | H30 | 180.0° | 180.0° |
| C20 | C21 | C22 | O15 | 177.8° | 180.0° |
| C20 | C21 | C22 | C35 | 177.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.8° | 0.6° |
| C21 | C20 | C32 | C26 | 177.1° | 179.9° |
| C21 | C20 | C32 | C33 | 4.9° | 0.5° |
| C20 | C21 | O15 | C8 | 21.3° | 0.0° |
| C32 | C20 | C21 | C22 | 0.4° | 0.0° |
| C32 | C20 | C21 | O15 | 177.1° | 180.0° |
| C20 | C32 | C33 | C23 | 6.8° | 0.5° |
| C20 | C32 | C33 | C24 | 175.9° | 179.7° |
| C20 | C32 | C26 | C33 | 178.0° | 179.4° |
| C20 | C32 | C26 | C30 | 178.3° | 180.0° |
| C20 | C32 | C26 | H34 | 1.7° | 0.0° |
| H30 | C20 | C21 | C22 | 179.6° | 180.0° |
| H30 | C20 | C21 | O15 | 2.9° | 0.0° |
| H30 | C20 | C32 | C26 | 2.9° | 0.1° |
| H30 | C20 | C32 | C33 | 175.1° | 179.5° |
| C21 | C22 | C35 | C23 | 178.8° | 179.5° |
| C21 | C22 | C23 | O9 | 177.0° | 180.0° |
| C21 | C22 | C23 | C33 | 0.6° | 0.6° |
| C21 | C22 | C35 | H42 | 90.7° | 90.1° |
| C21 | C22 | C35 | H43 | 149.3° | 150.0° |
| C21 | C22 | C35 | H44 | 29.4° | 30.0° |
| C22 | C21 | O15 | C8 | 160.8° | 180.0° |
| O15 | C21 | C22 | C35 | 0.8° | 0.1° |
| O15 | C21 | C22 | C23 | 179.6° | 179.4° |
| C35 | C22 | C23 | O9 | 4.2° | 0.5° |
| C35 | C22 | C23 | C33 | 179.4° | 179.9° |
| C22 | C35 | H42 | H43 | 120.0° | 120.0° |
| C22 | C35 | H42 | H44 | 120.0° | 120.1° |
| C22 | C35 | H43 | H44 | 120.0° | 120.1° |
| C22 | C23 | O9 | C33 | 176.5° | 179.4° |
| C22 | C23 | O9 | H31 | 180.0° | 89.9° |
| C22 | C23 | C33 | C24 | 178.1° | 179.1° |
| C22 | C23 | C33 | C32 | 4.7° | 0.1° |
| C23 | C22 | C35 | H42 | 90.6° | 89.4° |
| C23 | C22 | C35 | H43 | 29.4° | 30.5° |
| C23 | C22 | C35 | H44 | 149.4° | 150.6° |
| O9 | C23 | C33 | C24 | 1.7° | 0.3° |
| O9 | C23 | C33 | C32 | 178.9° | 179.5° |
| C33 | C23 | O9 | H31 | 3.5° | 90.6° |
| C23 | C33 | C24 | O10 | 5.8° | 0.0° |
| C23 | C33 | C24 | C32 | 177.1° | 179.2° |
| C23 | C33 | C24 | C34 | 172.9° | 180.0° |
| C23 | C33 | C32 | C26 | 175.1° | 179.9° |
| O10 | C24 | C33 | C34 | 178.7° | 180.0° |
| O10 | C24 | C34 | C30 | 179.3° | 179.6° |
| O10 | C24 | C33 | C32 | 177.1° | 179.1° |
| C33 | C24 | O10 | H32 | 179.4° | 90.0° |
| C24 | C33 | C32 | C26 | 2.2° | 0.9° |
| C33 | C24 | C34 | C30 | 0.6° | 0.4° |
| C34 | C24 | O10 | H32 | 1.9° | 90.0° |
| C24 | C34 | C30 | C26 | 5.1° | 0.0° |
| C34 | C24 | C33 | C32 | 4.2° | 0.8° |
| C27 | C25 | O11 | H33 | 122.2° | 120.0° |
| C27 | C25 | O11 | C36 | 105.5° | 118.0° |
| C25 | C27 | O12 | C28 | 178.9° | 180.0° |
| C25 | C27 | C28 | O13 | 157.2° | 161.7° |
| C25 | C27 | C28 | C29 | 75.7° | 78.4° |
| C25 | C27 | C28 | H35 | 41.5° | 41.6° |
| O11 | C25 | C27 | O12 | 170.8° | 26.8° |
| O11 | C25 | C27 | C28 | 10.4° | 153.2° |
| C25 | O11 | C36 | H45 | 180.0° | 176.0° |
| C25 | O11 | C36 | H46 | 60.0° | 56.0° |
| C25 | O11 | C36 | H47 | 60.0° | 63.9° |
| H33 | C25 | O11 | C36 | 16.6° | 2.1° |
| H33 | C25 | C27 | O12 | 66.9° | 146.8° |
| H33 | C25 | C27 | C28 | 112.0° | 33.1° |
| O11 | C36 | H45 | H46 | 120.0° | 120.0° |
| O11 | C36 | H45 | H47 | 120.0° | 120.0° |
| O11 | C36 | H46 | H47 | 120.0° | 120.0° |
| C32 | C26 | C30 | H34 | 180.0° | 180.0° |
| C32 | C26 | C30 | C34 | 7.3° | 0.1° |
| C30 | C26 | C32 | C33 | 3.6° | 0.5° |
| H34 | C26 | C30 | C34 | 172.7° | 179.9° |
| H34 | C26 | C32 | C33 | 176.3° | 179.4° |
| O12 | C27 | C28 | O13 | 21.7° | 18.3° |
| O12 | C27 | C28 | C29 | 105.4° | 101.6° |
| O12 | C27 | C28 | H35 | 137.4° | 138.4° |
| C27 | C28 | O13 | C29 | 126.2° | 120.0° |
| C27 | C28 | O13 | H35 | 115.1° | 120.0° |
| C27 | C28 | C29 | H35 | 117.1° | 120.0° |
| C27 | C28 | O13 | H36 | 9.6° | 60.0° |
| C27 | C28 | C29 | O14 | 59.9° | 55.0° |
| C27 | C28 | C29 | C31 | 177.3° | 175.0° |
| C27 | C28 | C29 | H37 | 58.0° | 65.0° |
| O13 | C28 | C29 | H35 | 119.1° | 120.0° |
| O13 | C28 | C29 | O14 | 64.0° | 65.0° |
| O13 | C28 | C29 | C31 | 58.9° | 55.0° |
| O13 | C28 | C29 | H37 | 178.2° | 175.0° |
| C29 | C28 | O13 | H36 | 116.6° | 60.0° |
| C28 | C29 | O14 | C31 | 118.8° | 120.0° |
| C28 | C29 | O14 | H37 | 117.5° | 120.0° |
| C28 | C29 | C31 | H37 | 119.0° | 120.0° |
| C28 | C29 | O14 | H38 | 180.0° | 60.0° |
| C28 | C29 | C31 | H39 | 180.0° | 60.0° |
| C28 | C29 | C31 | H40 | 60.0° | 180.0° |
| C28 | C29 | C31 | H41 | 60.0° | 60.0° |
| H35 | C28 | O13 | H36 | 124.6° | 180.0° |
| H35 | C28 | C29 | O14 | 176.9° | 175.0° |
| H35 | C28 | C29 | C31 | 60.2° | 65.0° |
| H35 | C28 | C29 | H37 | 59.1° | 55.0° |
| O14 | C29 | C31 | H37 | 123.8° | 120.0° |
| O14 | C29 | C31 | H39 | 62.8° | 60.0° |
| O14 | C29 | C31 | H40 | 177.1° | 60.0° |
| O14 | C29 | C31 | H41 | 57.2° | 180.0° |
| C31 | C29 | O14 | H38 | 61.2° | 60.0° |
| C29 | C31 | H39 | H40 | 120.0° | 120.0° |
| C29 | C31 | H39 | H41 | 120.0° | 120.0° |
| C29 | C31 | H40 | H41 | 120.0° | 120.0° |
| H37 | C29 | O14 | H38 | 62.5° | 180.0° |
| H37 | C29 | C31 | H39 | 60.9° | 180.0° |
| H37 | C29 | C31 | H40 | 59.1° | 60.0° |
| H37 | C29 | C31 | H41 | 179.0° | 60.0° |
| H39 | C31 | H40 | H41 | 120.0° | 120.0° |
| H42 | C35 | H43 | H44 | 120.0° | 119.9° |
| H45 | C36 | H46 | H47 | 120.0° | 120.1° |
| C38 | C37 | O17 | H48 | 123.2° | 120.0° |
| C38 | C37 | O17 | O16 | 116.9° | 120.0° |
| C38 | C37 | H48 | O16 | 118.8° | 120.0° |
| C37 | C38 | C39 | H49 | 120.2° | 120.0° |
| C37 | C38 | C39 | H50 | 120.2° | 119.9° |
| C37 | C38 | H49 | H50 | 119.4° | 120.2° |
| C37 | C38 | C39 | C40 | 49.1° | 57.0° |
| C37 | C38 | C39 | O18 | 171.3° | 176.8° |
| C37 | C38 | C39 | H51 | 70.9° | 62.9° |
| C38 | C37 | O17 | C41 | 64.6° | 61.1° |
| O17 | C37 | H48 | O16 | 117.1° | 120.1° |
| O17 | C37 | C38 | C39 | 55.7° | 57.6° |
| O17 | C37 | C38 | H49 | 175.9° | 177.5° |
| O17 | C37 | C38 | H50 | 64.6° | 62.3° |
| C37 | O17 | C41 | C40 | 65.6° | 61.1° |
| C37 | O17 | C41 | C42 | 172.6° | 178.9° |
| C37 | O17 | C41 | H53 | 54.0° | 58.9° |
| H48 | C37 | C38 | C39 | 68.2° | 62.4° |
| H48 | C37 | C38 | H49 | 52.0° | 57.5° |
| H48 | C37 | C38 | H50 | 171.5° | 177.7° |
| H48 | C37 | O17 | C41 | 58.6° | 58.9° |
| C39 | C38 | H49 | H50 | 119.4° | 120.1° |
| C38 | C39 | C40 | O18 | 116.0° | 119.9° |
| C38 | C39 | C40 | H51 | 119.6° | 119.8° |
| C38 | C39 | O18 | H51 | 116.8° | 120.2° |
| C38 | C39 | C40 | C41 | 52.2° | 57.0° |
| C38 | C39 | C40 | O19 | 170.9° | 176.8° |
| C38 | C39 | C40 | H52 | 68.1° | 63.0° |
| C39 | C38 | C37 | O16 | 171.3° | 177.6° |
| C38 | C39 | O18 | C43 | 142.4° | 90.0° |
| H49 | C38 | C39 | C40 | 169.3° | 176.9° |
| H49 | C38 | C39 | O18 | 68.5° | 63.2° |
| H49 | C38 | C39 | H51 | 49.3° | 57.1° |
| H49 | C38 | C37 | O16 | 68.5° | 62.5° |
| H50 | C38 | C39 | C40 | 71.1° | 62.9° |
| H50 | C38 | C39 | O18 | 51.1° | 56.9° |
| H50 | C38 | C39 | H51 | 168.9° | 177.2° |
| H50 | C38 | C37 | O16 | 51.1° | 57.8° |
| C40 | C39 | O18 | H51 | 124.0° | 120.2° |
| C39 | C40 | C41 | O19 | 120.7° | 119.9° |
| C39 | C40 | C41 | H52 | 120.5° | 119.9° |
| C39 | C40 | O19 | H52 | 120.7° | 120.2° |
| C39 | C40 | C41 | C42 | 178.8° | 177.6° |
| C39 | C40 | C41 | O17 | 60.8° | 57.6° |
| C39 | C40 | C41 | H53 | 59.5° | 62.4° |
| C39 | C40 | O19 | H57 | 180.0° | 180.0° |
| C40 | C39 | O18 | C43 | 98.4° | 150.5° |
| O18 | C39 | C40 | C41 | 168.2° | 176.8° |
| O18 | C39 | C40 | O19 | 73.1° | 63.3° |
| O18 | C39 | C40 | H52 | 47.9° | 56.9° |
| C39 | O18 | C43 | C44 | 161.6° | 175.0° |
| C39 | O18 | C43 | O20 | 80.1° | 65.0° |
| C39 | O18 | C43 | H58 | 39.6° | 55.0° |
| H51 | C39 | C40 | C41 | 67.4° | 62.9° |
| H51 | C39 | C40 | O19 | 51.3° | 57.0° |
| H51 | C39 | C40 | H52 | 172.3° | 177.2° |
| H51 | C39 | O18 | C43 | 25.5° | 30.2° |
| C41 | C40 | O19 | H52 | 118.1° | 120.2° |
| C40 | C41 | C42 | O17 | 118.9° | 120.0° |
| C40 | C41 | C42 | H53 | 121.6° | 120.0° |
| C40 | C41 | O17 | H53 | 119.5° | 120.0° |
| C40 | C41 | C42 | H54 | 180.0° | 60.0° |
| C40 | C41 | C42 | H55 | 60.0° | 180.0° |
| C40 | C41 | C42 | H56 | 60.0° | 60.0° |
| C41 | C40 | O19 | H57 | 58.8° | 60.4° |
| O19 | C40 | C41 | C42 | 60.5° | 62.5° |
| O19 | C40 | C41 | O17 | 178.5° | 177.5° |
| O19 | C40 | C41 | H53 | 61.1° | 57.5° |
| H52 | C40 | C41 | C42 | 58.3° | 57.7° |
| H52 | C40 | C41 | O17 | 59.7° | 62.3° |
| H52 | C40 | C41 | H53 | 179.9° | 177.7° |
| H52 | C40 | O19 | H57 | 59.3° | 59.8° |
| C42 | C41 | O17 | H53 | 118.6° | 120.0° |
| C41 | C42 | H54 | H55 | 120.0° | 120.0° |
| C41 | C42 | H54 | H56 | 120.0° | 120.0° |
| C41 | C42 | H55 | H56 | 120.0° | 120.0° |
| O17 | C41 | C42 | H54 | 61.1° | 60.0° |
| O17 | C41 | C42 | H55 | 178.9° | 60.0° |
| O17 | C41 | C42 | H56 | 58.9° | 180.0° |
| C41 | O17 | C37 | O16 | 178.5° | 178.9° |
| H53 | C41 | C42 | H54 | 58.3° | NaN° |
| H53 | C41 | C42 | H55 | 61.7° | 60.0° |
| H53 | C41 | C42 | H56 | 178.4° | 60.0° |
| H54 | C42 | H55 | H56 | 120.0° | 120.0° |
| C44 | C43 | O20 | H58 | 119.5° | 120.0° |
| C44 | C43 | O20 | O18 | 120.1° | 120.0° |
| C44 | C43 | H58 | O18 | 123.1° | 120.0° |
| C43 | C44 | C45 | H59 | 120.8° | 119.9° |
| C43 | C44 | C45 | H60 | 120.8° | 119.9° |
| C43 | C44 | H59 | H60 | 117.6° | 120.2° |
| C43 | C44 | C45 | C46 | 51.6° | 57.0° |
| C43 | C44 | C45 | O21 | 171.6° | 176.8° |
| C43 | C44 | C45 | H61 | 68.5° | 62.8° |
| C44 | C43 | O20 | C47 | 60.0° | 61.1° |
| O20 | C43 | H58 | O18 | 118.0° | 120.0° |
| O20 | C43 | C44 | C45 | 55.0° | 57.6° |
| O20 | C43 | C44 | H59 | 175.8° | 177.5° |
| O20 | C43 | C44 | H60 | 65.8° | 62.3° |
| C43 | O20 | C47 | C46 | 63.2° | 61.1° |
| C43 | O20 | C47 | C48 | 177.7° | 178.9° |
| C43 | O20 | C47 | H63 | 59.1° | 58.9° |
| H58 | C43 | C44 | C45 | 64.8° | 62.4° |
| H58 | C43 | C44 | H59 | 56.0° | 57.5° |
| H58 | C43 | C44 | H60 | 174.4° | 177.7° |
| H58 | C43 | O20 | C47 | 59.5° | 58.9° |
| C45 | C44 | H59 | H60 | 117.6° | 120.2° |
| C44 | C45 | C46 | O21 | 119.3° | 119.9° |
| C44 | C45 | C46 | H61 | 120.5° | 119.9° |
| C44 | C45 | O21 | H61 | 119.7° | 120.3° |
| C44 | C45 | C46 | C47 | 50.2° | 57.0° |
| C44 | C45 | C46 | O22 | 173.5° | 176.9° |
| C44 | C45 | C46 | H62 | 67.2° | 62.9° |
| C45 | C44 | C43 | O18 | 172.4° | 177.6° |
| C44 | C45 | O21 | C49 | 96.8° | 90.0° |
| H59 | C44 | C45 | C46 | 172.3° | 176.8° |
| H59 | C44 | C45 | O21 | 67.7° | 63.3° |
| H59 | C44 | C45 | H61 | 52.2° | 57.0° |
| H59 | C44 | C43 | O18 | 66.8° | 62.5° |
| H60 | C44 | C45 | C46 | 69.2° | 62.9° |
| H60 | C44 | C45 | O21 | 50.8° | 57.0° |
| H60 | C44 | C45 | H61 | 170.7° | 177.3° |
| H60 | C44 | C43 | O18 | 51.6° | 57.7° |
| C46 | C45 | O21 | H61 | 119.6° | 120.1° |
| C45 | C46 | C47 | O22 | 122.4° | 119.9° |
| C45 | C46 | C47 | H62 | 117.3° | 119.9° |
| C45 | C46 | O22 | H62 | 118.6° | 120.1° |
| C45 | C46 | C47 | C48 | 171.8° | 177.6° |
| C45 | C46 | C47 | O20 | 56.8° | 57.6° |
| C45 | C46 | C47 | H63 | 66.2° | 62.4° |
| C45 | C46 | O22 | H67 | 180.0° | 180.0° |
| C46 | C45 | O21 | C49 | 142.4° | 150.5° |
| O21 | C45 | C46 | C47 | 169.5° | 176.9° |
| O21 | C45 | C46 | O22 | 67.2° | 63.2° |
| O21 | C45 | C46 | H62 | 52.1° | 57.0° |
| C45 | O21 | C49 | C50 | 147.9° | 175.0° |
| C45 | O21 | C49 | O26 | 86.0° | 65.1° |
| C45 | O21 | C49 | H68 | 31.7° | 54.9° |
| H61 | C45 | C46 | C47 | 70.3° | 62.9° |
| H61 | C45 | C46 | O22 | 53.0° | 57.0° |
| H61 | C45 | C46 | H62 | 172.3° | 177.2° |
| H61 | C45 | O21 | C49 | 22.9° | 30.3° |
| C47 | C46 | O22 | H62 | 119.7° | 120.2° |
| C46 | C47 | C48 | O20 | 119.2° | 119.9° |
| C46 | C47 | C48 | H63 | 121.8° | 120.1° |
| C46 | C47 | O20 | H63 | 122.3° | 120.0° |
| C46 | C47 | C48 | H64 | 180.0° | 60.1° |
| C46 | C47 | C48 | H65 | 60.0° | 180.0° |
| C46 | C47 | C48 | H66 | 60.0° | 60.0° |
| C47 | C46 | O22 | H67 | 58.3° | 60.4° |
| O22 | C46 | C47 | C48 | 65.9° | 62.5° |
| O22 | C46 | C47 | O20 | 179.1° | 177.5° |
| O22 | C46 | C47 | H63 | 56.1° | 57.5° |
| H62 | C46 | C47 | C48 | 54.5° | 57.7° |
| H62 | C46 | C47 | O20 | 60.6° | 62.3° |
| H62 | C46 | C47 | H63 | 176.5° | 177.8° |
| H62 | C46 | O22 | H67 | 61.3° | 59.9° |
| C48 | C47 | O20 | H63 | 118.5° | 120.0° |
| C47 | C48 | H64 | H65 | 120.0° | 120.0° |
| C47 | C48 | H64 | H66 | 120.0° | 120.1° |
| C47 | C48 | H65 | H66 | 120.0° | 120.0° |
| O20 | C47 | C48 | H64 | 60.8° | 59.9° |
| O20 | C47 | C48 | H65 | 179.1° | 60.0° |
| O20 | C47 | C48 | H66 | 59.1° | 180.0° |
| C47 | O20 | C43 | O18 | 179.8° | 178.9° |
| H63 | C47 | C48 | H64 | 58.3° | 179.9° |
| H63 | C47 | C48 | H65 | 61.8° | 60.0° |
| H63 | C47 | C48 | H66 | 178.2° | 60.0° |
| H64 | C48 | H65 | H66 | 120.0° | 120.0° |
| C50 | C49 | O26 | H68 | 117.4° | 120.1° |
| C50 | C49 | O26 | O21 | 124.4° | 120.0° |
| C50 | C49 | H68 | O21 | 118.7° | 120.0° |
| C49 | C50 | C51 | H69 | 120.1° | 119.9° |
| C49 | C50 | C51 | H70 | 120.1° | 119.9° |
| C49 | C50 | H69 | H70 | 119.7° | 120.2° |
| C49 | C50 | C51 | O23 | 166.2° | 62.9° |
| C49 | C50 | C51 | C52 | 78.3° | 176.9° |
| C49 | C50 | C51 | C53 | 50.8° | 57.0° |
| C50 | C49 | O26 | C56 | 50.7° | 61.2° |
| O26 | C49 | H68 | O21 | 119.6° | 120.0° |
| O26 | C49 | C50 | C51 | 50.6° | 57.6° |
| O26 | C49 | C50 | H69 | 69.5° | 177.6° |
| O26 | C49 | C50 | H70 | 170.7° | 62.3° |
| C49 | O26 | C56 | C53 | 52.5° | 61.2° |
| C49 | O26 | C56 | C57 | 180.0° | 58.8° |
| C49 | O26 | C56 | H79 | 66.8° | 178.9° |
| H68 | C49 | C50 | C51 | 168.6° | 62.4° |
| H68 | C49 | C50 | H69 | 48.5° | 57.5° |
| H68 | C49 | C50 | H70 | 71.2° | 177.7° |
| H68 | C49 | O26 | C56 | 168.1° | 58.9° |
| C51 | C50 | H69 | H70 | 119.7° | 120.1° |
| C50 | C51 | O23 | C52 | 122.0° | 120.2° |
| C50 | C51 | O23 | C53 | 115.2° | 119.5° |
| C50 | C51 | C52 | C53 | 126.8° | 119.6° |
| C50 | C51 | O23 | H71 | 180.0° | 60.0° |
| C50 | C51 | C52 | H72 | 180.0° | 60.0° |
| C50 | C51 | C52 | H73 | 60.0° | 180.0° |
| C50 | C51 | C52 | H74 | 60.0° | 60.0° |
| C50 | C51 | C53 | O24 | 177.9° | 63.0° |
| C50 | C51 | C53 | C56 | 55.6° | 57.0° |
| C50 | C51 | C53 | H75 | 66.1° | 176.9° |
| C51 | C50 | C49 | O21 | 74.0° | 177.6° |
| H69 | C50 | C51 | O23 | 46.1° | 57.0° |
| H69 | C50 | C51 | C52 | 161.6° | 63.1° |
| H69 | C50 | C51 | C53 | 69.3° | 176.9° |
| H69 | C50 | C49 | O21 | 165.9° | 62.5° |
| H70 | C50 | C51 | O23 | 73.7° | 177.2° |
| H70 | C50 | C51 | C52 | 41.8° | 57.0° |
| H70 | C50 | C51 | C53 | 170.9° | 63.0° |
| H70 | C50 | C49 | O21 | 46.1° | 57.6° |
| O23 | C51 | C52 | C53 | 120.0° | 120.2° |
| O23 | C51 | C52 | H72 | 66.7° | 179.8° |
| O23 | C51 | C52 | H73 | 53.3° | 59.8° |
| O23 | C51 | C52 | H74 | 173.3° | 60.2° |
| O23 | C51 | C53 | O24 | 70.9° | 177.2° |
| O23 | C51 | C53 | C56 | 166.8° | 62.9° |
| O23 | C51 | C53 | H75 | 45.1° | 57.1° |
| C52 | C51 | O23 | H71 | 58.0° | 60.2° |
| C51 | C52 | H72 | H73 | 120.0° | 119.9° |
| C51 | C52 | H72 | H74 | 120.0° | 120.1° |
| C51 | C52 | H73 | H74 | 120.0° | 120.0° |
| C52 | C51 | C53 | O24 | 47.5° | 56.9° |
| C52 | C51 | C53 | C56 | 74.8° | 176.9° |
| C52 | C51 | C53 | H75 | 163.5° | 63.1° |
| C53 | C51 | O23 | H71 | 64.8° | 179.5° |
| C53 | C51 | C52 | H72 | 53.2° | 59.5° |
| C53 | C51 | C52 | H73 | 173.3° | 60.4° |
| C53 | C51 | C52 | H74 | 66.7° | 179.6° |
| C51 | C53 | O24 | C56 | 125.2° | 119.7° |
| C51 | C53 | O24 | H75 | 115.8° | 120.1° |
| C51 | C53 | C56 | H75 | 121.3° | 119.9° |
| C51 | C53 | O24 | C55 | 130.2° | 149.9° |
| C51 | C53 | C56 | O26 | 56.3° | 57.6° |
| C51 | C53 | C56 | C57 | 176.6° | 62.3° |
| C51 | C53 | C56 | H79 | 63.1° | 177.6° |
| H72 | C52 | H73 | H74 | 120.0° | 120.0° |
| O24 | C53 | C56 | H75 | 118.6° | 120.1° |
| C53 | O24 | C55 | C54 | 179.6° | 180.0° |
| C53 | O24 | C55 | O25 | 7.9° | 0.1° |
| O24 | C53 | C56 | O26 | 176.4° | 62.3° |
| O24 | C53 | C56 | C57 | 63.2° | 177.7° |
| O24 | C53 | C56 | H79 | 57.1° | 57.6° |
| C56 | C53 | O24 | C55 | 104.6° | 90.3° |
| C53 | C56 | O26 | C57 | 127.5° | 119.9° |
| C53 | C56 | O26 | H79 | 119.3° | 119.9° |
| C53 | C56 | C57 | H79 | 121.0° | 120.0° |
| C53 | C56 | C57 | H80 | 180.0° | 52.1° |
| C53 | C56 | C57 | H81 | 60.0° | 172.1° |
| C53 | C56 | C57 | H82 | 60.0° | 67.9° |
| H75 | C53 | O24 | C55 | 14.3° | 29.8° |
| H75 | C53 | C56 | O26 | 65.0° | 177.5° |
| H75 | C53 | C56 | C57 | 55.4° | 57.6° |
| H75 | C53 | C56 | H79 | 175.7° | 62.5° |
| O24 | C55 | C54 | O25 | 171.3° | 179.9° |
| O24 | C55 | C54 | H76 | 171.4° | 89.9° |
| O24 | C55 | C54 | H77 | 51.3° | 150.1° |
| O24 | C55 | C54 | H78 | 68.6° | 30.1° |
| C55 | C54 | H76 | H77 | 120.0° | 120.0° |
| C55 | C54 | H76 | H78 | 120.0° | 120.0° |
| C55 | C54 | H77 | H78 | 120.0° | 120.0° |
| H76 | C54 | H77 | H78 | 120.0° | 120.0° |
| H76 | C54 | C55 | O25 | 0.0° | 90.0° |
| H77 | C54 | C55 | O25 | 120.0° | 30.0° |
| H78 | C54 | C55 | O25 | 120.0° | 150.0° |
| O26 | C56 | C57 | H79 | 114.1° | 120.1° |
| O26 | C56 | C57 | H80 | 55.1° | 172.0° |
| O26 | C56 | C57 | H81 | 64.9° | 68.0° |
| O26 | C56 | C57 | H82 | 175.1° | 52.0° |
| C56 | O26 | C49 | O21 | 73.7° | 178.9° |
| C56 | C57 | H80 | H81 | 120.0° | 120.0° |
| C56 | C57 | H80 | H82 | 120.0° | 120.0° |
| C56 | C57 | H81 | H82 | 120.0° | 119.9° |
| H79 | C56 | C57 | H80 | 59.0° | 67.9° |
| H79 | C56 | C57 | H81 | 179.0° | 52.1° |
| H79 | C56 | C57 | H82 | 61.0° | 172.1° |
| H80 | C57 | H81 | H82 | 120.0° | 120.0° |
