A1EB4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O43 | C38 | doub | 1.21Å | 1.22Å | |
| C38 | C42 | sing | 1.51Å | 1.50Å | |
| C38 | O4 | sing | 1.34Å | 1.45Å | |
| O4 | C34 | sing | 1.45Å | 1.42Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C34 | C33 | sing | 1.53Å | 1.51Å | |
| C35 | C36 | sing | 1.54Å | 1.51Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C36 | O44 | sing | 1.43Å | 1.43Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | C31 | sing | 1.51Å | 1.50Å | |
| C32 | C41 | sing | 1.53Å | 1.52Å | |
| C32 | C40 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.51Å | 1.50Å | |
| C31 | C30 | doub | 1.31Å | 1.26Å | |
| C30 | C29 | doub | 1.31Å | 1.26Å | |
| C28 | C27 | sing | 1.51Å | 1.49Å | |
| C29 | C27 | sing | 1.34Å | 1.47Å | |
| C27 | C26 | doub | 1.41Å | 1.33Å | |
| C26 | C25 | sing | 1.36Å | 1.46Å | |
| C25 | C24 | doub | 1.40Å | 1.33Å | |
| C | C1 | sing | 1.51Å | 1.49Å | |
| C24 | C1 | sing | 1.38Å | 1.47Å | |
| C1 | C2 | doub | 1.39Å | 1.34Å | |
| C2 | C3 | sing | 1.39Å | 1.46Å | |
| C3 | C4 | doub | 1.39Å | 1.33Å | |
| C4 | C5 | sing | 1.39Å | 1.46Å | |
| C5 | C6 | doub | 1.39Å | 1.34Å | |
| C6 | C8 | sing | 1.40Å | 1.47Å | |
| C6 | C7 | sing | 1.51Å | 1.49Å | |
| C8 | C9 | doub | 1.38Å | 1.33Å | |
| C22 | C16 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.40Å | 1.46Å | |
| C10 | C11 | doub | 1.36Å | 1.33Å | |
| C16 | C23 | sing | 1.53Å | 1.51Å | |
| C16 | C15 | sing | 1.52Å | 1.51Å | |
| O2 | C18 | sing | 1.43Å | 1.43Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C11 | C13 | sing | 1.43Å | 1.25Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C13 | C14 | trip | 1.17Å | 1.19Å | |
| C15 | C14 | sing | 1.47Å | 1.48Å | |
| C15 | C20 | sing | 1.52Å | 1.52Å | |
| C15 | O1 | sing | 1.44Å | 1.43Å | |
| C19 | C20 | sing | 1.52Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | O1 | sing | 1.42Å | 1.43Å | |
| C12 | O3 | sing | 1.45Å | 1.42Å | |
| O3 | C39 | sing | 1.34Å | 1.45Å | |
| C39 | C43 | sing | 1.51Å | 1.50Å | |
| C39 | O54 | doub | 1.21Å | 1.22Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C44 | C45 | sing | 1.53Å | 1.51Å | |
| C45 | C46 | sing | 1.53Å | 1.51Å | |
| C46 | C47 | sing | 1.53Å | 1.51Å | |
| C55 | C57 | sing | 1.53Å | 1.52Å | |
| C55 | C51 | sing | 1.53Å | 1.52Å | |
| C47 | C51 | sing | 1.53Å | 1.51Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C3 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C4 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H42 | sing | 1.09Å | 1.10Å | |
| C41 | H43 | sing | 1.09Å | 1.10Å | |
| C41 | H44 | sing | 1.09Å | 1.10Å | |
| C42 | H45 | sing | 1.09Å | 1.10Å | |
| C42 | H46 | sing | 1.09Å | 1.10Å | |
| C42 | H47 | sing | 1.09Å | 1.10Å | |
| C43 | H48 | sing | 1.09Å | 1.10Å | |
| C43 | H49 | sing | 1.09Å | 1.10Å | |
| C44 | H50 | sing | 1.09Å | 1.10Å | |
| C44 | H51 | sing | 1.09Å | 1.10Å | |
| C45 | H52 | sing | 1.09Å | 1.10Å | |
| C45 | H53 | sing | 1.09Å | 1.10Å | |
| C46 | H54 | sing | 1.09Å | 1.10Å | |
| C46 | H55 | sing | 1.09Å | 1.10Å | |
| C47 | H56 | sing | 1.09Å | 1.10Å | |
| C47 | H57 | sing | 1.09Å | 1.10Å | |
| C5 | H58 | sing | 1.08Å | 1.08Å | |
| C51 | H59 | sing | 1.09Å | 1.10Å | |
| C51 | H60 | sing | 1.09Å | 1.10Å | |
| C55 | H61 | sing | 1.09Å | 1.10Å | |
| C55 | H62 | sing | 1.09Å | 1.10Å | |
| C57 | H63 | sing | 1.09Å | 1.10Å | |
| C57 | H64 | sing | 1.09Å | 1.10Å | |
| C7 | H66 | sing | 1.09Å | 1.10Å | |
| C7 | H67 | sing | 1.09Å | 1.10Å | |
| C7 | H68 | sing | 1.09Å | 1.10Å | |
| C8 | H69 | sing | 1.08Å | 1.08Å | |
| C9 | H70 | sing | 1.08Å | 1.08Å | |
| O2 | H71 | sing | 0.97Å | 0.95Å | |
| O44 | H72 | sing | 0.97Å | 0.95Å | |
| C57 | C48 | sing | 1.53Å | 489.62Å | |
| C48 | C49 | sing | 1.53Å | 0.00Å | |
| C49 | C50 | sing | 1.53Å | 0.00Å | |
| C48 | H65 | sing | 1.09Å | 0.00Å | |
| C48 | H73 | sing | 1.09Å | 0.00Å | |
| C49 | H74 | sing | 1.09Å | 0.00Å | |
| C49 | H75 | sing | 1.09Å | 0.00Å | |
| C50 | H76 | sing | 1.09Å | 0.00Å | |
| C50 | H77 | sing | 1.09Å | 0.00Å | |
| C50 | H78 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O43 | C38 | C42 | 121.9° | 120.0° |
| O43 | C38 | O4 | 117.8° | 120.0° |
| C42 | C38 | O4 | 120.3° | 120.0° |
| C38 | C42 | H45 | 109.5° | 109.5° |
| C38 | C42 | H46 | 109.5° | 109.4° |
| C38 | C42 | H47 | 109.5° | 109.5° |
| C38 | O4 | C34 | 115.7° | 117.0° |
| O4 | C34 | C35 | 107.8° | 109.4° |
| O4 | C34 | C33 | 106.5° | 109.3° |
| O4 | C34 | H32 | 112.4° | 109.3° |
| C35 | C34 | C33 | 107.8° | 109.9° |
| C34 | C35 | C36 | 111.0° | 109.3° |
| C35 | C34 | H32 | 111.0° | 109.4° |
| C34 | C35 | H33 | 109.1° | 109.5° |
| C34 | C35 | H34 | 109.1° | 109.5° |
| C34 | C33 | C32 | 116.6° | 109.4° |
| C34 | C33 | H30 | 107.7° | 109.4° |
| C34 | C33 | H31 | 107.7° | 109.5° |
| C33 | C34 | H32 | 111.0° | 109.5° |
| C35 | C36 | O44 | 108.9° | 109.7° |
| C35 | C36 | C37 | 110.0° | 109.6° |
| C35 | C36 | C31 | 109.6° | 108.3° |
| C36 | C35 | H33 | 109.1° | 109.6° |
| C36 | C35 | H34 | 109.1° | 109.4° |
| C33 | C32 | C41 | 108.2° | 109.6° |
| C33 | C32 | C40 | 110.5° | 109.8° |
| C33 | C32 | C31 | 112.7° | 108.5° |
| C32 | C33 | H30 | 107.6° | 109.5° |
| C32 | C33 | H31 | 107.6° | 109.5° |
| O44 | C36 | C37 | 109.6° | 109.6° |
| O44 | C36 | C31 | 108.8° | 109.9° |
| C36 | O44 | H72 | 109.5° | 114.0° |
| C37 | C36 | C31 | 109.9° | 109.7° |
| C36 | C37 | H35 | 109.5° | 109.5° |
| C36 | C37 | H36 | 109.5° | 109.5° |
| C36 | C37 | H37 | 109.5° | 109.5° |
| C36 | C31 | C32 | 120.4° | 118.3° |
| C36 | C31 | C30 | 119.7° | 120.9° |
| C41 | C32 | C40 | 108.9° | 109.6° |
| C41 | C32 | C31 | 108.5° | 109.6° |
| C32 | C41 | H42 | 109.5° | 109.4° |
| C32 | C41 | H43 | 109.5° | 109.5° |
| C32 | C41 | H44 | 109.5° | 109.5° |
| C40 | C32 | C31 | 108.0° | 109.6° |
| C32 | C40 | H39 | 109.5° | 109.5° |
| C32 | C40 | H40 | 109.5° | 109.5° |
| C32 | C40 | H41 | 109.5° | 109.4° |
| C32 | C31 | C30 | 119.7° | 120.8° |
| C31 | C30 | C29 | 177.9° | 179.9° |
| C30 | C29 | C27 | 122.1° | 120.0° |
| C30 | C29 | H28 | 118.9° | 120.0° |
| C28 | C27 | C29 | 120.1° | 120.0° |
| C28 | C27 | C26 | 120.4° | 120.0° |
| C27 | C28 | H25 | 109.5° | 109.5° |
| C27 | C28 | H26 | 109.5° | 109.4° |
| C27 | C28 | H27 | 109.5° | 109.5° |
| C29 | C27 | C26 | 119.4° | 120.0° |
| C27 | C29 | H28 | 119.0° | 120.0° |
| C27 | C26 | C25 | 122.1° | 120.0° |
| C27 | C26 | H24 | 119.0° | 120.0° |
| C26 | C25 | C24 | 117.8° | 120.0° |
| C26 | C25 | H23 | 121.1° | 120.0° |
| C25 | C26 | H24 | 119.0° | 120.0° |
| C25 | C24 | C1 | 122.6° | 120.0° |
| C25 | C24 | H22 | 118.7° | 120.0° |
| C24 | C25 | H23 | 121.1° | 120.0° |
| C | C1 | C24 | 120.6° | 120.0° |
| C | C1 | C2 | 121.0° | 120.0° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| C24 | C1 | C2 | 118.5° | 120.0° |
| C1 | C24 | H22 | 118.7° | 120.0° |
| C1 | C2 | C3 | 122.3° | 120.0° |
| C1 | C2 | H12 | 118.9° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C3 | C2 | H12 | 118.8° | 120.0° |
| C2 | C3 | H29 | 119.9° | 120.0° |
| C3 | C4 | C5 | 119.3° | 120.0° |
| C4 | C3 | H29 | 119.9° | 120.0° |
| C3 | C4 | H38 | 120.4° | 120.0° |
| C4 | C5 | C6 | 123.0° | 120.0° |
| C5 | C4 | H38 | 120.3° | 120.0° |
| C4 | C5 | H58 | 118.5° | 120.0° |
| C5 | C6 | C8 | 118.5° | 120.0° |
| C5 | C6 | C7 | 121.4° | 120.0° |
| C6 | C5 | H58 | 118.5° | 120.1° |
| C8 | C6 | C7 | 120.1° | 120.0° |
| C6 | C8 | C9 | 123.2° | 120.0° |
| C6 | C8 | H69 | 118.4° | 120.0° |
| C6 | C7 | H66 | 109.5° | 109.5° |
| C6 | C7 | H67 | 109.5° | 109.5° |
| C6 | C7 | H68 | 109.5° | 109.5° |
| C8 | C9 | C10 | 117.1° | 120.0° |
| C9 | C8 | H69 | 118.4° | 120.0° |
| C8 | C9 | H70 | 121.4° | 120.0° |
| C22 | C16 | C17 | 108.8° | 108.9° |
| C22 | C16 | C23 | 109.5° | 108.9° |
| C22 | C16 | C15 | 106.9° | 108.9° |
| C16 | C22 | H16 | 109.5° | 109.4° |
| C16 | C22 | H17 | 109.4° | 109.5° |
| C16 | C22 | H18 | 109.4° | 109.5° |
| C16 | C17 | C18 | 112.2° | 112.9° |
| C17 | C16 | C23 | 108.5° | 108.9° |
| C17 | C16 | C15 | 113.2° | 112.2° |
| C16 | C17 | H7 | 108.8° | 108.8° |
| C16 | C17 | H8 | 108.8° | 108.8° |
| C17 | C18 | O2 | 108.4° | 108.8° |
| C17 | C18 | C19 | 108.1° | 112.9° |
| C18 | C17 | H7 | 108.8° | 108.8° |
| C18 | C17 | H8 | 108.8° | 108.8° |
| C17 | C18 | H9 | 110.0° | 108.8° |
| C9 | C10 | C11 | 121.3° | 120.0° |
| C9 | C10 | H4 | 119.4° | 120.0° |
| C10 | C9 | H70 | 121.4° | 120.0° |
| C10 | C11 | C13 | 120.3° | 120.0° |
| C10 | C11 | C12 | 119.3° | 120.0° |
| C11 | C10 | H4 | 119.3° | 120.0° |
| C23 | C16 | C15 | 109.9° | 109.0° |
| C16 | C23 | H19 | 109.5° | 109.5° |
| C16 | C23 | H20 | 109.5° | 109.5° |
| C16 | C23 | H21 | 109.4° | 109.5° |
| C16 | C15 | C14 | 119.1° | 115.5° |
| C16 | C15 | C20 | 119.4° | 120.7° |
| C16 | C15 | O1 | 115.3° | 115.8° |
| O2 | C18 | C19 | 109.1° | 108.8° |
| O2 | C18 | H9 | 111.2° | 108.6° |
| C18 | O2 | H71 | 109.5° | 114.0° |
| C18 | C19 | C20 | 110.5° | 112.6° |
| C19 | C18 | H9 | 109.9° | 108.8° |
| C18 | C19 | H10 | 109.2° | 108.8° |
| C18 | C19 | H11 | 109.2° | 108.8° |
| C13 | C11 | C12 | 120.4° | 120.0° |
| C11 | C13 | C14 | 175.6° | 179.9° |
| C11 | C12 | O3 | 109.9° | 109.5° |
| C11 | C12 | H5 | 109.4° | 109.5° |
| C11 | C12 | H6 | 109.3° | 109.5° |
| C13 | C14 | C15 | 177.6° | 179.9° |
| C14 | C15 | C20 | 116.7° | 117.5° |
| C14 | C15 | O1 | 113.3° | 117.5° |
| C20 | C15 | O1 | 57.8° | 57.4° |
| C15 | C20 | C19 | 120.1° | 120.0° |
| C15 | C20 | C21 | 118.7° | 116.0° |
| C15 | C20 | O1 | 57.8° | 58.4° |
| C15 | O1 | C20 | 64.5° | 64.2° |
| C19 | C20 | C21 | 119.5° | 114.5° |
| C19 | C20 | O1 | 109.7° | 121.1° |
| C20 | C19 | H10 | 109.2° | 109.2° |
| C20 | C19 | H11 | 109.2° | 108.6° |
| C21 | C20 | O1 | 112.3° | 115.5° |
| C20 | C21 | H13 | 109.5° | 109.4° |
| C20 | C21 | H14 | 109.4° | 109.5° |
| C20 | C21 | H15 | 109.5° | 109.5° |
| C12 | O3 | C39 | 118.0° | 117.0° |
| O3 | C12 | H5 | 109.3° | 109.4° |
| O3 | C12 | H6 | 109.4° | 109.5° |
| O3 | C39 | C43 | 120.6° | 120.0° |
| O3 | C39 | O54 | 119.1° | 120.0° |
| C43 | C39 | O54 | 120.3° | 120.0° |
| C39 | C43 | C44 | 107.4° | 109.5° |
| C39 | C43 | H48 | 110.0° | 109.5° |
| C39 | C43 | H49 | 110.0° | 109.5° |
| C43 | C44 | C45 | 110.1° | 109.5° |
| C44 | C43 | H48 | 110.0° | 109.4° |
| C44 | C43 | H49 | 110.0° | 109.5° |
| C43 | C44 | H50 | 109.3° | 109.4° |
| C43 | C44 | H51 | 109.3° | 109.5° |
| C44 | C45 | C46 | 110.0° | 109.5° |
| C45 | C44 | H50 | 109.3° | 109.5° |
| C45 | C44 | H51 | 109.3° | 109.5° |
| C44 | C45 | H52 | 109.3° | 109.5° |
| C44 | C45 | H53 | 109.3° | 109.5° |
| C45 | C46 | C47 | 111.2° | 109.5° |
| C46 | C45 | H52 | 109.3° | 109.5° |
| C46 | C45 | H53 | 109.3° | 109.4° |
| C45 | C46 | H54 | 109.0° | 109.5° |
| C45 | C46 | H55 | 109.0° | 109.4° |
| C46 | C47 | C51 | 107.7° | 109.5° |
| C47 | C46 | H54 | 109.0° | 109.4° |
| C47 | C46 | H55 | 109.0° | 109.5° |
| C46 | C47 | H56 | 109.9° | 109.5° |
| C46 | C47 | H57 | 109.9° | 109.5° |
| C57 | C55 | C51 | 110.6° | 109.5° |
| C57 | C55 | H61 | 109.2° | 109.5° |
| C57 | C55 | H62 | 109.2° | 109.5° |
| C55 | C57 | H63 | 124.9° | 109.5° |
| C55 | C57 | H64 | 124.9° | 109.5° |
| C55 | C57 | C48 | 15.9° | 109.5° |
| C55 | C51 | C47 | 110.0° | 109.5° |
| C55 | C51 | H59 | 109.3° | 109.5° |
| C55 | C51 | H60 | 109.3° | 109.5° |
| C51 | C55 | H61 | 109.2° | 109.5° |
| C51 | C55 | H62 | 109.2° | 109.5° |
| C51 | C47 | H56 | 109.9° | 109.5° |
| C51 | C47 | H57 | 109.9° | 109.5° |
| C47 | C51 | H59 | 109.3° | 109.5° |
| C47 | C51 | H60 | 109.3° | 109.5° |
| H1 | C | H2 | 109.5° | 109.4° |
| H1 | C | H3 | 109.5° | 109.4° |
| H2 | C | H3 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H7 | C17 | H8 | 109.5° | 108.6° |
| H10 | C19 | H11 | 109.5° | 108.7° |
| H13 | C21 | H14 | 109.4° | 109.5° |
| H13 | C21 | H15 | 109.5° | 109.4° |
| H14 | C21 | H15 | 109.5° | 109.5° |
| H16 | C22 | H17 | 109.4° | 109.5° |
| H16 | C22 | H18 | 109.5° | 109.5° |
| H17 | C22 | H18 | 109.5° | 109.5° |
| H19 | C23 | H20 | 109.5° | 109.4° |
| H19 | C23 | H21 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.5° |
| H25 | C28 | H27 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.4° | 109.4° |
| H30 | C33 | H31 | 109.5° | 109.5° |
| H33 | C35 | H34 | 109.4° | 109.5° |
| H35 | C37 | H36 | 109.5° | 109.5° |
| H35 | C37 | H37 | 109.4° | 109.4° |
| H36 | C37 | H37 | 109.5° | 109.5° |
| H39 | C40 | H40 | 109.5° | 109.5° |
| H39 | C40 | H41 | 109.4° | 109.5° |
| H40 | C40 | H41 | 109.5° | 109.4° |
| H42 | C41 | H43 | 109.4° | 109.5° |
| H42 | C41 | H44 | 109.5° | 109.5° |
| H43 | C41 | H44 | 109.5° | 109.5° |
| H45 | C42 | H46 | 109.5° | 109.5° |
| H45 | C42 | H47 | 109.4° | 109.5° |
| H46 | C42 | H47 | 109.5° | 109.4° |
| H48 | C43 | H49 | 109.5° | 109.5° |
| H50 | C44 | H51 | 109.5° | 109.5° |
| H52 | C45 | H53 | 109.5° | 109.5° |
| H54 | C46 | H55 | 109.5° | 109.4° |
| H56 | C47 | H57 | 109.5° | 109.5° |
| H59 | C51 | H60 | 109.5° | 109.5° |
| H61 | C55 | H62 | 109.5° | 109.5° |
| H63 | C57 | H64 | 109.5° | 109.5° |
| H63 | C57 | C48 | 124.9° | 109.4° |
| H64 | C57 | C48 | 124.9° | 109.5° |
| H66 | C7 | H67 | 109.4° | 109.5° |
| H66 | C7 | H68 | 109.5° | 109.4° |
| H67 | C7 | H68 | 109.5° | 109.5° |
| C57 | C48 | C49 | 90.0° | 109.4° |
| C57 | C48 | H65 | 90.0° | 109.5° |
| C57 | C48 | H73 | 90.0° | 109.5° |
| C48 | C49 | C50 | 90.0° | 109.4° |
| C49 | C48 | H65 | 90.0° | 109.5° |
| C49 | C48 | H73 | 90.0° | 109.5° |
| C48 | C49 | H74 | 90.0° | 109.5° |
| C48 | C49 | H75 | 90.0° | 109.5° |
| C50 | C49 | H74 | 90.0° | 109.5° |
| C50 | C49 | H75 | 90.0° | 109.4° |
| C49 | C50 | H76 | 90.0° | 109.5° |
| C49 | C50 | H77 | 90.0° | 109.5° |
| C49 | C50 | H78 | 90.0° | 109.5° |
| H65 | C48 | H73 | 90.0° | 109.5° |
| H74 | C49 | H75 | 90.0° | 109.5° |
| H76 | C50 | H77 | 90.0° | 109.5° |
| H76 | C50 | H78 | 90.0° | 109.5° |
| H77 | C50 | H78 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O43 | C38 | C42 | O4 | 179.7° | 180.0° |
| O43 | C38 | O4 | C34 | 172.8° | 0.1° |
| O43 | C38 | C42 | H45 | 0.0° | 90.0° |
| O43 | C38 | C42 | H46 | 120.0° | 30.0° |
| O43 | C38 | C42 | H47 | 120.0° | 150.0° |
| C42 | C38 | O4 | C34 | 7.5° | 180.0° |
| C38 | C42 | H45 | H46 | 120.0° | 120.0° |
| C38 | C42 | H45 | H47 | 120.0° | 120.0° |
| C38 | C42 | H46 | H47 | 120.0° | 120.0° |
| C38 | O4 | C34 | C35 | 106.9° | 89.9° |
| C38 | O4 | C34 | C33 | 137.6° | 149.7° |
| C38 | O4 | C34 | H32 | 15.8° | 29.9° |
| O4 | C38 | C42 | H45 | 179.7° | 90.0° |
| O4 | C38 | C42 | H46 | 60.3° | 150.0° |
| O4 | C38 | C42 | H47 | 59.7° | 30.1° |
| O4 | C34 | C35 | C33 | 114.7° | 120.0° |
| O4 | C34 | C35 | H32 | 123.5° | 119.8° |
| O4 | C34 | C33 | H32 | 122.7° | 119.7° |
| O4 | C34 | C35 | C36 | 178.8° | 176.3° |
| O4 | C34 | C33 | C32 | 168.3° | 176.3° |
| O4 | C34 | C33 | H30 | 70.7° | 63.7° |
| O4 | C34 | C33 | H31 | 47.3° | 56.3° |
| O4 | C34 | C35 | H33 | 58.6° | 63.6° |
| O4 | C34 | C35 | H34 | 60.9° | 56.4° |
| C35 | C34 | C33 | H32 | 121.8° | 120.2° |
| C34 | C35 | C36 | H33 | 120.2° | 120.0° |
| C34 | C35 | C36 | H34 | 120.2° | 119.9° |
| C35 | C34 | C33 | C32 | 52.8° | 63.6° |
| C34 | C35 | C36 | O44 | 60.6° | 65.1° |
| C34 | C35 | C36 | C37 | 179.3° | 174.5° |
| C34 | C35 | C36 | C31 | 58.4° | 54.9° |
| C35 | C34 | C33 | H30 | 173.8° | 56.4° |
| C35 | C34 | C33 | H31 | 68.2° | 176.4° |
| C34 | C35 | H33 | H34 | 119.3° | 120.1° |
| C33 | C34 | C35 | C36 | 64.1° | 63.7° |
| C34 | C33 | C32 | H30 | 121.1° | 119.9° |
| C34 | C33 | C32 | H31 | 121.0° | 120.0° |
| C34 | C33 | C32 | C41 | 155.6° | 174.3° |
| C34 | C33 | C32 | C40 | 85.2° | 65.2° |
| C34 | C33 | C32 | C31 | 35.7° | 54.6° |
| C34 | C33 | H30 | H31 | 116.8° | 120.0° |
| C33 | C34 | C35 | H33 | 56.1° | 56.4° |
| C33 | C34 | C35 | H34 | 175.6° | 176.4° |
| C35 | C36 | O44 | C37 | 120.3° | 120.4° |
| C35 | C36 | O44 | C31 | 119.5° | 119.0° |
| C35 | C36 | C37 | C31 | 120.8° | 118.8° |
| C35 | C36 | C31 | C32 | 41.8° | 51.7° |
| C35 | C36 | C31 | C30 | 141.7° | 128.6° |
| C36 | C35 | C34 | H32 | 57.6° | 56.5° |
| C36 | C35 | H33 | H34 | 119.3° | 120.0° |
| C35 | C36 | C37 | H35 | 180.0° | 60.0° |
| C35 | C36 | C37 | H36 | 60.0° | 180.0° |
| C35 | C36 | C37 | H37 | 60.0° | 59.9° |
| C35 | C36 | O44 | H72 | 180.0° | 60.0° |
| C33 | C32 | C31 | C36 | 30.4° | 51.7° |
| C33 | C32 | C41 | C40 | 120.2° | 120.6° |
| C33 | C32 | C41 | C31 | 122.5° | 119.0° |
| C33 | C32 | C40 | C31 | 123.6° | 119.1° |
| C33 | C32 | C31 | C30 | 153.1° | 128.7° |
| C32 | C33 | H30 | H31 | 116.7° | 120.1° |
| C32 | C33 | C34 | H32 | 69.0° | 56.6° |
| C33 | C32 | C40 | H39 | 180.0° | 179.5° |
| C33 | C32 | C40 | H40 | 60.0° | 59.5° |
| C33 | C32 | C40 | H41 | 60.0° | 60.4° |
| C33 | C32 | C41 | H42 | 180.0° | 60.6° |
| C33 | C32 | C41 | H43 | 60.0° | 59.4° |
| C33 | C32 | C41 | H44 | 60.0° | 179.4° |
| O44 | C36 | C37 | C31 | 119.6° | 120.8° |
| O44 | C36 | C31 | C32 | 77.2° | 68.1° |
| O44 | C36 | C31 | C30 | 99.3° | 111.6° |
| O44 | C36 | C35 | H33 | 179.2° | 174.9° |
| O44 | C36 | C35 | H34 | 59.6° | 54.8° |
| O44 | C36 | C37 | H35 | 60.4° | 60.4° |
| O44 | C36 | C37 | H36 | 179.6° | 59.6° |
| O44 | C36 | C37 | H37 | 59.6° | 179.6° |
| C37 | C36 | C31 | C32 | 162.8° | 171.3° |
| C37 | C36 | C31 | C30 | 20.7° | 9.1° |
| C37 | C36 | C35 | H33 | 59.1° | 54.5° |
| C37 | C36 | C35 | H34 | 60.4° | 65.6° |
| C36 | C37 | H35 | H36 | 120.0° | 120.0° |
| C36 | C37 | H35 | H37 | 120.0° | 120.0° |
| C36 | C37 | H36 | H37 | 120.0° | 120.1° |
| C37 | C36 | O44 | H72 | 59.7° | 60.4° |
| C36 | C31 | C32 | C41 | 150.1° | 171.3° |
| C36 | C31 | C32 | C40 | 92.0° | 68.3° |
| C36 | C31 | C32 | C30 | 176.5° | 179.7° |
| C36 | C31 | C30 | C29 | 77.4° | 79.1° |
| C31 | C36 | C35 | H33 | 61.9° | 65.1° |
| C31 | C36 | C35 | H34 | 178.6° | 174.8° |
| C31 | C36 | C37 | H35 | 59.2° | 178.8° |
| C31 | C36 | C37 | H36 | 60.8° | 61.2° |
| C31 | C36 | C37 | H37 | 179.2° | 58.8° |
| C31 | C36 | O44 | H72 | 60.6° | 179.0° |
| C41 | C32 | C40 | C31 | 117.6° | 120.4° |
| C41 | C32 | C31 | C30 | 33.4° | 9.0° |
| C41 | C32 | C33 | H30 | 83.3° | 54.4° |
| C41 | C32 | C33 | H31 | 34.6° | 65.7° |
| C41 | C32 | C40 | H39 | 61.3° | 60.0° |
| C41 | C32 | C40 | H40 | 178.7° | 180.0° |
| C41 | C32 | C40 | H41 | 58.7° | 60.1° |
| C32 | C41 | H42 | H43 | 120.0° | 120.0° |
| C32 | C41 | H42 | H44 | 120.0° | 120.0° |
| C32 | C41 | H43 | H44 | 120.0° | 120.0° |
| C40 | C32 | C31 | C30 | 84.5° | 111.4° |
| C40 | C32 | C33 | H30 | 35.9° | 174.9° |
| C40 | C32 | C33 | H31 | 153.8° | 54.8° |
| C32 | C40 | H39 | H40 | 120.0° | 120.0° |
| C32 | C40 | H39 | H41 | 120.0° | 120.0° |
| C32 | C40 | H40 | H41 | 120.0° | 119.9° |
| C40 | C32 | C41 | H42 | 59.8° | 60.0° |
| C40 | C32 | C41 | H43 | 60.2° | 180.0° |
| C40 | C32 | C41 | H44 | 179.8° | 60.0° |
| C32 | C31 | C30 | C29 | 99.1° | 101.3° |
| C31 | C32 | C33 | H30 | 156.8° | 65.3° |
| C31 | C32 | C33 | H31 | 85.3° | 174.6° |
| C31 | C32 | C40 | H39 | 56.4° | 60.4° |
| C31 | C32 | C40 | H40 | 63.7° | 59.7° |
| C31 | C32 | C40 | H41 | 176.3° | 179.6° |
| C31 | C32 | C41 | H42 | 57.5° | 179.6° |
| C31 | C32 | C41 | H43 | 177.5° | 59.6° |
| C31 | C32 | C41 | H44 | 62.5° | 60.4° |
| C31 | C30 | C29 | C27 | 165.9° | 168.8° |
| C31 | C30 | C29 | H28 | 14.1° | 11.2° |
| C30 | C29 | C27 | C28 | 13.0° | 0.0° |
| C30 | C29 | C27 | H28 | 180.0° | 180.0° |
| C30 | C29 | C27 | C26 | 167.4° | 180.0° |
| C28 | C27 | C29 | C26 | 179.6° | 180.0° |
| C28 | C27 | C26 | C25 | 1.0° | 0.0° |
| C28 | C27 | C26 | H24 | 179.0° | 180.0° |
| C27 | C28 | H25 | H26 | 120.0° | 120.0° |
| C27 | C28 | H25 | H27 | 120.0° | 120.0° |
| C27 | C28 | H26 | H27 | 120.0° | 120.0° |
| C28 | C27 | C29 | H28 | 167.0° | 180.0° |
| C29 | C27 | C26 | C25 | 179.4° | 180.0° |
| C29 | C27 | C26 | H24 | 0.6° | 0.0° |
| C29 | C27 | C28 | H25 | 180.0° | 90.0° |
| C29 | C27 | C28 | H26 | 60.0° | 30.0° |
| C29 | C27 | C28 | H27 | 60.0° | 150.0° |
| C27 | C26 | C25 | H24 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 179.9° | 179.9° |
| C27 | C26 | C25 | H23 | 0.1° | 0.0° |
| C26 | C27 | C28 | H25 | 0.4° | 90.0° |
| C26 | C27 | C28 | H26 | 120.4° | 150.0° |
| C26 | C27 | C28 | H27 | 119.6° | 30.0° |
| C26 | C27 | C29 | H28 | 12.6° | 0.0° |
| C26 | C25 | C24 | H23 | 180.0° | 180.0° |
| C26 | C25 | C24 | C1 | 178.9° | 180.0° |
| C26 | C25 | C24 | H22 | 1.1° | 0.0° |
| C25 | C24 | C1 | C | 13.9° | 0.0° |
| C25 | C24 | C1 | H22 | 180.0° | 180.0° |
| C25 | C24 | C1 | C2 | 166.3° | 179.9° |
| C24 | C25 | C26 | H24 | 0.1° | 0.0° |
| C | C1 | C24 | C2 | 179.8° | 179.9° |
| C | C1 | C2 | C3 | 2.4° | 0.1° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H3 | 120.0° | 120.1° |
| C1 | C | H2 | H3 | 120.0° | 120.1° |
| C | C1 | C2 | H12 | 177.6° | 180.0° |
| C | C1 | C24 | H22 | 166.1° | 180.0° |
| C24 | C1 | C2 | C3 | 177.8° | 180.0° |
| C24 | C1 | C | H1 | 180.0° | 90.0° |
| C24 | C1 | C | H2 | 60.0° | 30.0° |
| C24 | C1 | C | H3 | 60.0° | 150.0° |
| C24 | C1 | C2 | H12 | 2.2° | 0.0° |
| C1 | C24 | C25 | H23 | 1.2° | 0.0° |
| C1 | C2 | C3 | H12 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 179.5° | 179.9° |
| C2 | C1 | C | H1 | 0.2° | 90.1° |
| C2 | C1 | C | H2 | 120.2° | 150.0° |
| C2 | C1 | C | H3 | 119.8° | 29.9° |
| C2 | C1 | C24 | H22 | 13.7° | 0.0° |
| C1 | C2 | C3 | H29 | 0.5° | 0.0° |
| C2 | C3 | C4 | H29 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 177.0° | 180.0° |
| C2 | C3 | C4 | H38 | 3.0° | 0.0° |
| C3 | C4 | C5 | H38 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 175.2° | 180.0° |
| C4 | C3 | C2 | H12 | 0.5° | 0.0° |
| C3 | C4 | C5 | H58 | 4.8° | 0.1° |
| C4 | C5 | C6 | H58 | 180.0° | 179.9° |
| C4 | C5 | C6 | C8 | 177.2° | 180.0° |
| C4 | C5 | C6 | C7 | 1.9° | 0.1° |
| C5 | C4 | C3 | H29 | 3.0° | 0.1° |
| C5 | C6 | C8 | C7 | 179.1° | 179.9° |
| C5 | C6 | C8 | C9 | 177.7° | 180.0° |
| C6 | C5 | C4 | H38 | 4.8° | 0.1° |
| C5 | C6 | C7 | H66 | 180.0° | 90.0° |
| C5 | C6 | C7 | H67 | 60.0° | 150.0° |
| C5 | C6 | C7 | H68 | 60.0° | 30.0° |
| C5 | C6 | C8 | H69 | 2.3° | 0.1° |
| C6 | C8 | C9 | H69 | 180.0° | 180.0° |
| C6 | C8 | C9 | C10 | 178.2° | 180.0° |
| C8 | C6 | C5 | H58 | 2.8° | 0.1° |
| C8 | C6 | C7 | H66 | 0.9° | 90.1° |
| C8 | C6 | C7 | H67 | 120.9° | 30.0° |
| C8 | C6 | C7 | H68 | 119.1° | 150.0° |
| C6 | C8 | C9 | H70 | 1.8° | 0.0° |
| C7 | C6 | C8 | C9 | 1.4° | 0.0° |
| C7 | C6 | C5 | H58 | 178.1° | 180.0° |
| C6 | C7 | H66 | H67 | 120.0° | 120.0° |
| C6 | C7 | H66 | H68 | 120.0° | 120.0° |
| C6 | C7 | H67 | H68 | 120.0° | 120.0° |
| C7 | C6 | C8 | H69 | 178.6° | 180.0° |
| C8 | C9 | C10 | H70 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 173.6° | 174.8° |
| C8 | C9 | C10 | H4 | 6.4° | 5.2° |
| C22 | C16 | C17 | C23 | 119.1° | 118.6° |
| C22 | C16 | C17 | C15 | 118.6° | 120.6° |
| C22 | C16 | C17 | C18 | 159.4° | 167.1° |
| C22 | C16 | C23 | C15 | 117.1° | 118.7° |
| C22 | C16 | C15 | C14 | 32.2° | 10.8° |
| C22 | C16 | C15 | C20 | 122.4° | 140.4° |
| C22 | C16 | C15 | O1 | 171.8° | 153.8° |
| C22 | C16 | C17 | H7 | 39.0° | 46.2° |
| C22 | C16 | C17 | H8 | 80.2° | 72.0° |
| C16 | C22 | H16 | H17 | 120.0° | 120.0° |
| C16 | C22 | H16 | H18 | 120.0° | 119.9° |
| C16 | C22 | H17 | H18 | 120.0° | 120.0° |
| C22 | C16 | C23 | H19 | 180.0° | 178.7° |
| C22 | C16 | C23 | H20 | 60.0° | 61.4° |
| C22 | C16 | C23 | H21 | 60.0° | 58.7° |
| C16 | C17 | C18 | H7 | 120.4° | 120.9° |
| C16 | C17 | C18 | H8 | 120.4° | 120.9° |
| C17 | C16 | C23 | C15 | 124.3° | 122.7° |
| C16 | C17 | C18 | O2 | 171.6° | 176.3° |
| C16 | C17 | C18 | C19 | 70.3° | 62.8° |
| C17 | C16 | C15 | C14 | 151.9° | 131.4° |
| C17 | C16 | C15 | C20 | 2.7° | 19.8° |
| C17 | C16 | C15 | O1 | 68.4° | 85.6° |
| C16 | C17 | H7 | H8 | 118.7° | 118.3° |
| C16 | C17 | C18 | H9 | 49.8° | 58.1° |
| C17 | C16 | C22 | H16 | 180.0° | 58.7° |
| C17 | C16 | C22 | H17 | 60.0° | 61.3° |
| C17 | C16 | C22 | H18 | 60.0° | 178.6° |
| C17 | C16 | C23 | H19 | 61.4° | 62.7° |
| C17 | C16 | C23 | H20 | 58.6° | 57.2° |
| C17 | C16 | C23 | H21 | 178.6° | 177.3° |
| C18 | C17 | C16 | C23 | 81.5° | 74.3° |
| C18 | C17 | C16 | C15 | 40.8° | 46.5° |
| C17 | C18 | O2 | C19 | 117.5° | 123.4° |
| C17 | C18 | O2 | H9 | 121.0° | 118.3° |
| C17 | C18 | C19 | H9 | 120.1° | 120.9° |
| C17 | C18 | C19 | C20 | 57.0° | 47.3° |
| C18 | C17 | H7 | H8 | 118.7° | 118.4° |
| C17 | C18 | C19 | H10 | 63.1° | 73.9° |
| C17 | C18 | C19 | H11 | 177.2° | 167.8° |
| C17 | C18 | O2 | H71 | 180.0° | 180.0° |
| C9 | C10 | C11 | H4 | 180.0° | 180.0° |
| C9 | C10 | C11 | C13 | 177.5° | 174.9° |
| C9 | C10 | C11 | C12 | 0.2° | 5.1° |
| C10 | C9 | C8 | H69 | 1.8° | 0.0° |
| C10 | C11 | C13 | C12 | 177.7° | 180.0° |
| C10 | C11 | C13 | C14 | 111.5° | 40.1° |
| C10 | C11 | C12 | O3 | 174.2° | 125.4° |
| C10 | C11 | C12 | H5 | 65.7° | 114.7° |
| C10 | C11 | C12 | H6 | 54.2° | 5.4° |
| C11 | C10 | C9 | H70 | 6.4° | 5.3° |
| C23 | C16 | C15 | C14 | 86.5° | 107.8° |
| C23 | C16 | C15 | C20 | 118.8° | 100.9° |
| C23 | C16 | C15 | O1 | 53.1° | 35.1° |
| C23 | C16 | C17 | H7 | 158.1° | 164.9° |
| C23 | C16 | C17 | H8 | 38.9° | 46.7° |
| C23 | C16 | C22 | H16 | 61.5° | 60.0° |
| C23 | C16 | C22 | H17 | 58.5° | 180.0° |
| C23 | C16 | C22 | H18 | 178.4° | 60.0° |
| C16 | C23 | H19 | H20 | 120.0° | 120.0° |
| C16 | C23 | H19 | H21 | 120.0° | 120.0° |
| C16 | C23 | H20 | H21 | 120.0° | 120.0° |
| C16 | C15 | C14 | C13 | 61.5° | 175.2° |
| C16 | C15 | C14 | C20 | 155.3° | 152.2° |
| C16 | C15 | C14 | O1 | 140.4° | 142.3° |
| C16 | C15 | C20 | O1 | 102.9° | 102.8° |
| C16 | C15 | C20 | C19 | 7.4° | 7.4° |
| C16 | C15 | C20 | C21 | 157.5° | 152.0° |
| C15 | C16 | C17 | H7 | 79.6° | 74.4° |
| C15 | C16 | C17 | H8 | 161.2° | 167.4° |
| C15 | C16 | C22 | H16 | 57.5° | 178.7° |
| C15 | C16 | C22 | H17 | 177.5° | 61.3° |
| C15 | C16 | C22 | H18 | 62.6° | 58.7° |
| C15 | C16 | C23 | H19 | 62.9° | 60.0° |
| C15 | C16 | C23 | H20 | 177.1° | 180.0° |
| C15 | C16 | C23 | H21 | 57.1° | 60.0° |
| O2 | C18 | C19 | H9 | 122.2° | 118.2° |
| O2 | C18 | C19 | C20 | 174.7° | 168.3° |
| O2 | C18 | C17 | H7 | 68.0° | 62.9° |
| O2 | C18 | C17 | H8 | 51.2° | 55.4° |
| O2 | C18 | C19 | H10 | 54.6° | 47.0° |
| O2 | C18 | C19 | H11 | 65.1° | 71.3° |
| C18 | C19 | C20 | C15 | 20.3° | 20.5° |
| C18 | C19 | C20 | H10 | 120.1° | 121.0° |
| C18 | C19 | C20 | H11 | 120.1° | 120.6° |
| C18 | C19 | C20 | C21 | 174.9° | 165.6° |
| C18 | C19 | C20 | O1 | 43.2° | 48.5° |
| C19 | C18 | C17 | H7 | 50.2° | 58.1° |
| C19 | C18 | C17 | H8 | 169.3° | 176.3° |
| C18 | C19 | H10 | H11 | 119.5° | 118.4° |
| C19 | C18 | O2 | H71 | 62.5° | 56.6° |
| C11 | C13 | C14 | C15 | 62.0° | 172.5° |
| C13 | C11 | C12 | O3 | 3.5° | 54.6° |
| C13 | C11 | C10 | H4 | 2.5° | 5.0° |
| C13 | C11 | C12 | H5 | 116.5° | 65.3° |
| C13 | C11 | C12 | H6 | 123.6° | 174.7° |
| C12 | C11 | C13 | C14 | 66.2° | 139.9° |
| C11 | C12 | O3 | H5 | 120.1° | 120.0° |
| C11 | C12 | O3 | H6 | 120.1° | 120.0° |
| C11 | C12 | O3 | C39 | 157.5° | 180.0° |
| C12 | C11 | C10 | H4 | 179.7° | 174.9° |
| C11 | C12 | H5 | H6 | 119.8° | 120.1° |
| C13 | C14 | C15 | C20 | 93.8° | 32.6° |
| C13 | C14 | C15 | O1 | 158.1° | 32.9° |
| C14 | C15 | C20 | O1 | 101.9° | 106.5° |
| C14 | C15 | C20 | C19 | 162.6° | 143.3° |
| C14 | C15 | C20 | C21 | 2.3° | 1.3° |
| C15 | C20 | C19 | C21 | 164.8° | 145.1° |
| C15 | C20 | C19 | O1 | 63.5° | 69.0° |
| C15 | C20 | C21 | O1 | 64.4° | 65.6° |
| C15 | C20 | C19 | H10 | 99.8° | 100.5° |
| C15 | C20 | C19 | H11 | 140.4° | 141.1° |
| C15 | C20 | C21 | H13 | 180.0° | 60.0° |
| C15 | C20 | C21 | H14 | 60.0° | 180.0° |
| C15 | C20 | C21 | H15 | 60.0° | 59.9° |
| C19 | C20 | C21 | O1 | 130.6° | 147.9° |
| C20 | C19 | C18 | H9 | 63.1° | 73.5° |
| C20 | C19 | H10 | H11 | 119.5° | 118.3° |
| C19 | C20 | C21 | H13 | 15.0° | 86.5° |
| C19 | C20 | C21 | H14 | 135.0° | 33.5° |
| C19 | C20 | C21 | H15 | 105.0° | 153.5° |
| C21 | C20 | C19 | H10 | 65.0° | 44.6° |
| C21 | C20 | C19 | H11 | 54.8° | 73.8° |
| C20 | C21 | H13 | H14 | 120.0° | 120.0° |
| C20 | C21 | H13 | H15 | 120.0° | 120.0° |
| C20 | C21 | H14 | H15 | 120.0° | 120.1° |
| O1 | C20 | C19 | H10 | 163.3° | 169.5° |
| O1 | C20 | C19 | H11 | 77.0° | 72.1° |
| O1 | C20 | C21 | H13 | 115.6° | 125.6° |
| O1 | C20 | C21 | H14 | 4.4° | 114.4° |
| O1 | C20 | C21 | H15 | 124.4° | 5.7° |
| C12 | O3 | C39 | C43 | 141.1° | 180.0° |
| C12 | O3 | C39 | O54 | 38.9° | 0.0° |
| O3 | C12 | H5 | H6 | 119.8° | 119.9° |
| O3 | C39 | C43 | O54 | 180.0° | 180.0° |
| O3 | C39 | C43 | C44 | 122.5° | 180.0° |
| C39 | O3 | C12 | H5 | 82.4° | 60.0° |
| C39 | O3 | C12 | H6 | 37.4° | 60.0° |
| O3 | C39 | C43 | H48 | 117.8° | 60.0° |
| O3 | C39 | C43 | H49 | 2.8° | 60.0° |
| C39 | C43 | C44 | H48 | 119.7° | 120.0° |
| C39 | C43 | C44 | H49 | 119.7° | 120.0° |
| C39 | C43 | C44 | C45 | 161.5° | 180.0° |
| C39 | C43 | H48 | H49 | 121.0° | 120.0° |
| C39 | C43 | C44 | H50 | 41.5° | 60.0° |
| C39 | C43 | C44 | H51 | 78.4° | 60.0° |
| O54 | C39 | C43 | C44 | 57.5° | 0.0° |
| O54 | C39 | C43 | H48 | 62.2° | 120.0° |
| O54 | C39 | C43 | H49 | 177.1° | 120.0° |
| C43 | C44 | C45 | H50 | 120.1° | 120.0° |
| C43 | C44 | C45 | H51 | 120.1° | 120.0° |
| C43 | C44 | C45 | C46 | 117.6° | 180.0° |
| C44 | C43 | H48 | H49 | 121.0° | 120.0° |
| C43 | C44 | H50 | H51 | 119.8° | 120.0° |
| C43 | C44 | C45 | H52 | 2.5° | 60.0° |
| C43 | C44 | C45 | H53 | 122.3° | 60.0° |
| C44 | C45 | C46 | H52 | 120.1° | 120.0° |
| C44 | C45 | C46 | H53 | 120.1° | 120.0° |
| C44 | C45 | C46 | C47 | 55.1° | 180.0° |
| C45 | C44 | C43 | H48 | 78.8° | 60.0° |
| C45 | C44 | C43 | H49 | 41.9° | 60.0° |
| C45 | C44 | H50 | H51 | 119.7° | 120.0° |
| C44 | C45 | H52 | H53 | 119.8° | 120.0° |
| C44 | C45 | C46 | H54 | 65.2° | 60.0° |
| C44 | C45 | C46 | H55 | 175.3° | 60.0° |
| C45 | C46 | C47 | H54 | 120.2° | 120.1° |
| C45 | C46 | C47 | H55 | 120.2° | 120.0° |
| C45 | C46 | C47 | C51 | 178.6° | 180.0° |
| C46 | C45 | C44 | H50 | 122.3° | 60.0° |
| C46 | C45 | C44 | H51 | 2.5° | 60.0° |
| C46 | C45 | H52 | H53 | 119.8° | 120.0° |
| C45 | C46 | H54 | H55 | 119.2° | 120.0° |
| C45 | C46 | C47 | H56 | 58.8° | 60.0° |
| C45 | C46 | C47 | H57 | 61.7° | 60.0° |
| C46 | C47 | C51 | C55 | 67.6° | 180.0° |
| C46 | C47 | C51 | H56 | 119.7° | 120.0° |
| C46 | C47 | C51 | H57 | 119.7° | 120.0° |
| C47 | C46 | C45 | H52 | 175.2° | 60.0° |
| C47 | C46 | C45 | H53 | 65.0° | 60.0° |
| C47 | C46 | H54 | H55 | 119.2° | 120.0° |
| C46 | C47 | H56 | H57 | 120.8° | 120.0° |
| C46 | C47 | C51 | H59 | 172.3° | 60.0° |
| C46 | C47 | C51 | H60 | 52.5° | 60.0° |
| C57 | C55 | C51 | H61 | 120.1° | 120.0° |
| C57 | C55 | C51 | H62 | 120.2° | 120.0° |
| C57 | C55 | C51 | C47 | 172.8° | 180.0° |
| C57 | C55 | C51 | H59 | 52.7° | 60.0° |
| C57 | C55 | C51 | H60 | 67.1° | 60.0° |
| C57 | C55 | H61 | H62 | 119.5° | 120.0° |
| C55 | C57 | H63 | H64 | 170.3° | 120.1° |
| C55 | C57 | H63 | C48 | 19.4° | 120.0° |
| C55 | C57 | H64 | C48 | 19.4° | 120.0° |
| C55 | C57 | C48 | C49 | 90.0° | 180.0° |
| C55 | C57 | C48 | H65 | 90.0° | 60.0° |
| C55 | C57 | C48 | H73 | 90.0° | 60.0° |
| C55 | C51 | C47 | H59 | 120.1° | 120.0° |
| C55 | C51 | C47 | H60 | 120.1° | 120.0° |
| C55 | C51 | C47 | H56 | 172.6° | 60.0° |
| C55 | C51 | C47 | H57 | 52.1° | 60.0° |
| C55 | C51 | H59 | H60 | 119.8° | 120.0° |
| C51 | C55 | H61 | H62 | 119.5° | 120.0° |
| C51 | C55 | C57 | H63 | 124.4° | 60.0° |
| C51 | C55 | C57 | H64 | 44.4° | 60.0° |
| C51 | C55 | C57 | C48 | 140.0° | 180.0° |
| C51 | C47 | C46 | H54 | 61.2° | 59.9° |
| C51 | C47 | C46 | H55 | 58.3° | 60.0° |
| C51 | C47 | H56 | H57 | 120.8° | 120.0° |
| C47 | C51 | H59 | H60 | 119.7° | 120.0° |
| C47 | C51 | C55 | H61 | 67.0° | 60.0° |
| C47 | C51 | C55 | H62 | 52.6° | 60.0° |
| H1 | C | H2 | H3 | 120.0° | 119.9° |
| H4 | C10 | C9 | H70 | 173.6° | 174.8° |
| H7 | C17 | C18 | H9 | 170.2° | 179.0° |
| H8 | C17 | C18 | H9 | 70.6° | 62.8° |
| H9 | C18 | C19 | H10 | 176.8° | 165.2° |
| H9 | C18 | C19 | H11 | 57.1° | 46.9° |
| H9 | C18 | O2 | H71 | 59.0° | 61.7° |
| H12 | C2 | C3 | H29 | 179.5° | 180.0° |
| H13 | C21 | H14 | H15 | 120.0° | 120.0° |
| H16 | C22 | H17 | H18 | 120.0° | 120.0° |
| H19 | C23 | H20 | H21 | 120.0° | 120.0° |
| H22 | C24 | C25 | H23 | 178.9° | 180.0° |
| H23 | C25 | C26 | H24 | 179.9° | 180.0° |
| H25 | C28 | H26 | H27 | 120.0° | 120.0° |
| H29 | C3 | C4 | H38 | 177.0° | 180.0° |
| H30 | C33 | C34 | H32 | 52.0° | 176.5° |
| H31 | C33 | C34 | H32 | 170.0° | 63.4° |
| H32 | C34 | C35 | H33 | 177.9° | 176.6° |
| H32 | C34 | C35 | H34 | 62.6° | 63.4° |
| H35 | C37 | H36 | H37 | 120.0° | 120.0° |
| H38 | C4 | C5 | H58 | 175.2° | 180.0° |
| H39 | C40 | H40 | H41 | 120.0° | 120.0° |
| H42 | C41 | H43 | H44 | 120.0° | 120.0° |
| H45 | C42 | H46 | H47 | 120.0° | 120.1° |
| H48 | C43 | C44 | H50 | 161.1° | 180.0° |
| H48 | C43 | C44 | H51 | 41.3° | 60.0° |
| H49 | C43 | C44 | H50 | 78.2° | 60.0° |
| H49 | C43 | C44 | H51 | 161.9° | 180.0° |
| H50 | C44 | C45 | H52 | 117.6° | 180.0° |
| H50 | C44 | C45 | H53 | 2.2° | 60.0° |
| H51 | C44 | C45 | H52 | 122.6° | 60.0° |
| H51 | C44 | C45 | H53 | 117.6° | 180.0° |
| H52 | C45 | C46 | H54 | 54.9° | 180.0° |
| H52 | C45 | C46 | H55 | 64.6° | 60.0° |
| H53 | C45 | C46 | H54 | 174.8° | 60.0° |
| H53 | C45 | C46 | H55 | 55.3° | 180.0° |
| H54 | C46 | C47 | H56 | 179.1° | 179.9° |
| H54 | C46 | C47 | H57 | 58.5° | 60.1° |
| H55 | C46 | C47 | H56 | 61.4° | 60.0° |
| H55 | C46 | C47 | H57 | 178.0° | 180.0° |
| H56 | C47 | C51 | H59 | 52.6° | NaN° |
| H56 | C47 | C51 | H60 | 67.3° | 60.0° |
| H57 | C47 | C51 | H59 | 68.0° | 60.0° |
| H57 | C47 | C51 | H60 | 172.2° | NaN° |
| H59 | C51 | C55 | H61 | 172.9° | 180.0° |
| H59 | C51 | C55 | H62 | 67.4° | 60.0° |
| H60 | C51 | C55 | H61 | 53.1° | 60.0° |
| H60 | C51 | C55 | H62 | 172.7° | 180.0° |
| H61 | C55 | C57 | H63 | 4.3° | 179.9° |
| H61 | C55 | C57 | H64 | 164.6° | 60.0° |
| H61 | C55 | C57 | C48 | 99.9° | 60.0° |
| H62 | C55 | C57 | H63 | 115.4° | 59.9° |
| H62 | C55 | C57 | H64 | 75.7° | 180.0° |
| H62 | C55 | C57 | C48 | 19.8° | 60.0° |
| H63 | C57 | H64 | C48 | 170.3° | 120.0° |
| H63 | C57 | C48 | C49 | 90.0° | 60.0° |
| H63 | C57 | C48 | H65 | 90.0° | 180.0° |
| H63 | C57 | C48 | H73 | 90.0° | 60.0° |
| H64 | C57 | C48 | C49 | 90.0° | 60.0° |
| H64 | C57 | C48 | H65 | 90.0° | 60.0° |
| H64 | C57 | C48 | H73 | 90.0° | 180.0° |
| H66 | C7 | H67 | H68 | 120.0° | 119.9° |
| H69 | C8 | C9 | H70 | 178.2° | 180.0° |
| C57 | C48 | C49 | H65 | 90.0° | 120.0° |
| C57 | C48 | C49 | H73 | 90.0° | 120.0° |
| C57 | C48 | C49 | C50 | 90.0° | 180.0° |
| C57 | C48 | H65 | H73 | 90.0° | 120.0° |
| C57 | C48 | C49 | H74 | 90.0° | 60.0° |
| C57 | C48 | C49 | H75 | 90.0° | 60.1° |
| C48 | C49 | C50 | H74 | 90.0° | 120.0° |
| C48 | C49 | C50 | H75 | 90.0° | 119.9° |
| C49 | C48 | H65 | H73 | 90.0° | 120.0° |
| C48 | C49 | H74 | H75 | 90.0° | 120.0° |
| C48 | C49 | C50 | H76 | 90.0° | 59.9° |
| C48 | C49 | C50 | H77 | 90.0° | 60.0° |
| C48 | C49 | C50 | H78 | 90.0° | 180.0° |
| C50 | C49 | C48 | H65 | 90.0° | 60.0° |
| C50 | C49 | C48 | H73 | 90.0° | 60.0° |
| C50 | C49 | H74 | H75 | 90.0° | 120.0° |
| C49 | C50 | H76 | H77 | 90.0° | 120.0° |
| C49 | C50 | H76 | H78 | 90.0° | 120.0° |
| C49 | C50 | H77 | H78 | 90.0° | 120.0° |
| H65 | C48 | C49 | H74 | 90.0° | 180.0° |
| H65 | C48 | C49 | H75 | 90.0° | 59.9° |
| H73 | C48 | C49 | H74 | 90.0° | 60.0° |
| H73 | C48 | C49 | H75 | 90.0° | 179.9° |
| H74 | C49 | C50 | H76 | 90.0° | 180.0° |
| H74 | C49 | C50 | H77 | 90.0° | 60.0° |
| H74 | C49 | C50 | H78 | 90.0° | 60.0° |
| H75 | C49 | C50 | H76 | 90.0° | 60.0° |
| H75 | C49 | C50 | H77 | 90.0° | 180.0° |
| H75 | C49 | C50 | H78 | 90.0° | 60.1° |
| H76 | C50 | H77 | H78 | 90.0° | 120.0° |
