A1JNZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | O5 | sing | 1.43Å | 1.42Å | |
| O5 | C27 | sing | 1.43Å | 1.43Å | |
| O6 | C29 | sing | 1.43Å | 1.42Å | |
| C27 | C29 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.51Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C30 | O7 | sing | 1.43Å | 1.44Å | |
| C25 | O7 | sing | 1.43Å | 1.42Å | |
| C25 | O4 | sing | 1.43Å | 1.41Å | |
| O4 | C24 | sing | 1.43Å | 1.43Å | |
| C33 | C32 | sing | 1.53Å | 1.51Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C24 | C32 | sing | 1.53Å | 1.52Å | |
| C24 | C22 | sing | 1.53Å | 1.52Å | |
| C32 | O8 | sing | 1.43Å | 1.44Å | |
| O10 | C42 | sing | 1.43Å | 1.41Å | |
| C23 | O3 | sing | 1.43Å | 1.42Å | |
| C40 | O9 | sing | 1.43Å | 1.43Å | |
| C40 | C39 | sing | 1.52Å | 1.50Å | |
| O9 | C41 | sing | 1.44Å | 1.42Å | |
| C36 | C34 | sing | 1.51Å | 1.50Å | |
| C36 | C37 | doub | 1.33Å | 1.32Å | |
| C22 | O3 | sing | 1.43Å | 1.42Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C41 | C42 | sing | 1.52Å | 1.51Å | |
| C41 | C47 | sing | 1.53Å | 1.53Å | |
| C34 | C19 | sing | 1.53Å | 1.54Å | |
| O8 | C20 | sing | 1.43Å | 1.41Å | |
| C42 | C43 | sing | 1.51Å | 1.51Å | |
| O2 | C19 | sing | 1.43Å | 1.42Å | |
| O2 | C20 | sing | 1.43Å | 1.41Å | |
| C39 | C38 | doub | 1.32Å | 1.33Å | |
| C39 | C47 | sing | 1.52Å | 1.47Å | |
| C37 | C38 | sing | 1.47Å | 1.42Å | |
| C19 | C17 | sing | 1.51Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C47 | O13 | sing | 1.42Å | 1.41Å | |
| C47 | C45 | sing | 1.52Å | 1.46Å | |
| C43 | C48 | sing | 1.51Å | 1.50Å | |
| C43 | C44 | doub | 1.32Å | 1.32Å | |
| C45 | C44 | sing | 1.52Å | 1.50Å | |
| C45 | C46 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | doub | 1.31Å | 1.33Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C16 | C15 | sing | 1.51Å | 1.50Å | |
| C46 | O11 | doub | 1.21Å | 1.20Å | |
| C46 | O12 | sing | 1.34Å | 1.32Å | |
| O12 | C12 | sing | 1.45Å | 1.44Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C14 | O14 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C11 | C6 | sing | 1.53Å | 1.51Å | |
| O14 | C6 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| O1 | C6 | sing | 1.43Å | 1.41Å | |
| O1 | C5 | sing | 1.43Å | 1.43Å | |
| C6 | C7 | sing | 1.50Å | 1.51Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | doub | 1.30Å | 1.33Å | |
| C9 | C8 | sing | 1.50Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.10Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C3 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C32 | H45 | sing | 1.09Å | 1.10Å | |
| C33 | H46 | sing | 1.09Å | 1.10Å | |
| C33 | H47 | sing | 1.09Å | 1.10Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C34 | H49 | sing | 1.09Å | 1.10Å | |
| C35 | H50 | sing | 1.09Å | 1.10Å | |
| C35 | H51 | sing | 1.09Å | 1.10Å | |
| C35 | H52 | sing | 1.09Å | 1.10Å | |
| C36 | H53 | sing | 1.08Å | 1.08Å | |
| C37 | H55 | sing | 1.07Å | 1.08Å | |
| C38 | H58 | sing | 1.09Å | 1.08Å | |
| C4 | H60 | sing | 1.09Å | 1.10Å | |
| C4 | H61 | sing | 1.09Å | 1.10Å | |
| C4 | H62 | sing | 1.09Å | 1.10Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| C41 | H65 | sing | 1.09Å | 1.10Å | |
| C42 | H66 | sing | 1.09Å | 1.10Å | |
| C44 | H67 | sing | 1.08Å | 1.08Å | |
| C45 | H68 | sing | 1.09Å | 1.10Å | |
| C48 | H69 | sing | 1.09Å | 1.10Å | |
| C48 | H70 | sing | 1.09Å | 1.10Å | |
| C48 | H71 | sing | 1.09Å | 1.10Å | |
| C5 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.08Å | 1.08Å | |
| C8 | H75 | sing | 1.08Å | 1.08Å | |
| C9 | H77 | sing | 1.09Å | 1.10Å | |
| O10 | H78 | sing | 0.97Å | 0.95Å | |
| O13 | H79 | sing | 0.97Å | 0.95Å | |
| O6 | H80 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | O5 | C27 | 113.8° | 114.0° |
| O5 | C28 | H36 | 109.5° | 109.4° |
| O5 | C28 | H37 | 109.4° | 109.5° |
| O5 | C28 | H38 | 109.5° | 109.5° |
| O5 | C27 | C29 | 110.4° | 109.5° |
| O5 | C27 | C26 | 110.6° | 109.5° |
| O5 | C27 | H35 | 109.4° | 109.6° |
| O6 | C29 | C27 | 109.0° | 109.6° |
| O6 | C29 | C30 | 110.0° | 109.5° |
| O6 | C29 | H39 | 110.4° | 109.6° |
| C29 | O6 | H80 | 109.5° | 114.0° |
| C29 | C27 | C26 | 110.0° | 109.0° |
| C27 | C29 | C30 | 109.5° | 109.1° |
| C29 | C27 | H35 | 108.1° | 109.6° |
| C27 | C29 | H39 | 109.0° | 109.5° |
| C27 | C26 | C25 | 112.1° | 109.2° |
| C27 | C26 | H33 | 108.8° | 109.6° |
| C27 | C26 | H34 | 108.8° | 109.6° |
| C26 | C27 | H35 | 108.2° | 109.5° |
| C29 | C30 | C31 | 113.5° | 109.5° |
| C29 | C30 | O7 | 109.7° | 109.4° |
| C30 | C29 | H39 | 109.0° | 109.5° |
| C29 | C30 | H41 | 108.5° | 109.5° |
| C26 | C25 | O7 | 111.5° | 109.4° |
| C26 | C25 | O4 | 107.0° | 109.5° |
| C26 | C25 | H32 | 108.2° | 109.5° |
| C25 | C26 | H33 | 108.8° | 109.5° |
| C25 | C26 | H34 | 108.8° | 109.5° |
| C31 | C30 | O7 | 106.8° | 109.4° |
| C31 | C30 | H41 | 108.7° | 109.5° |
| C30 | C31 | H42 | 109.5° | 109.5° |
| C30 | C31 | H43 | 109.5° | 109.5° |
| C30 | C31 | H44 | 109.5° | 109.5° |
| C30 | O7 | C25 | 115.6° | 114.1° |
| O7 | C30 | H41 | 109.6° | 109.6° |
| O7 | C25 | O4 | 111.1° | 109.5° |
| O7 | C25 | H32 | 109.4° | 109.5° |
| C25 | O4 | C24 | 116.6° | 114.0° |
| O4 | C25 | H32 | 109.5° | 109.5° |
| O4 | C24 | C32 | 105.4° | 109.5° |
| O4 | C24 | C22 | 106.3° | 109.5° |
| O4 | C24 | H31 | 111.9° | 109.5° |
| C33 | C32 | C24 | 113.5° | 109.5° |
| C33 | C32 | O8 | 105.6° | 109.5° |
| C33 | C32 | H45 | 108.7° | 109.5° |
| C32 | C33 | H46 | 109.5° | 109.5° |
| C32 | C33 | H47 | 109.4° | 109.4° |
| C32 | C33 | H48 | 109.5° | 109.5° |
| C35 | C34 | C36 | 108.6° | 109.7° |
| C35 | C34 | C19 | 110.9° | 109.5° |
| C35 | C34 | H49 | 107.4° | 109.6° |
| C34 | C35 | H50 | 109.5° | 109.5° |
| C34 | C35 | H51 | 109.5° | 109.5° |
| C34 | C35 | H52 | 109.4° | 109.5° |
| C32 | C24 | C22 | 112.1° | 109.2° |
| C24 | C32 | O8 | 110.7° | 109.4° |
| C32 | C24 | H31 | 110.5° | 109.5° |
| C24 | C32 | H45 | 108.5° | 109.5° |
| C24 | C22 | O3 | 107.6° | 109.6° |
| C24 | C22 | C21 | 113.1° | 109.0° |
| C24 | C22 | H27 | 108.6° | 109.6° |
| C22 | C24 | H31 | 110.6° | 109.5° |
| C32 | O8 | C20 | 112.7° | 114.1° |
| O8 | C32 | H45 | 109.7° | 109.5° |
| O10 | C42 | C41 | 109.4° | 109.1° |
| O10 | C42 | C43 | 107.9° | 109.1° |
| O10 | C42 | H66 | 109.8° | 109.2° |
| C42 | O10 | H78 | 109.5° | 114.0° |
| C23 | O3 | C22 | 114.2° | 114.0° |
| O3 | C23 | H28 | 109.5° | 109.5° |
| O3 | C23 | H29 | 109.5° | 109.5° |
| O3 | C23 | H30 | 109.5° | 109.4° |
| O9 | C40 | C39 | 105.8° | 105.2° |
| C40 | O9 | C41 | 103.7° | 109.5° |
| O9 | C40 | H63 | 110.4° | 110.3° |
| O9 | C40 | H64 | 110.4° | 110.3° |
| C40 | C39 | C38 | 125.7° | 126.4° |
| C40 | C39 | C47 | 108.2° | 104.7° |
| C39 | C40 | H63 | 110.4° | 110.3° |
| C39 | C40 | H64 | 110.4° | 110.2° |
| O9 | C41 | C42 | 108.8° | 108.3° |
| O9 | C41 | C47 | 105.0° | 107.9° |
| O9 | C41 | H65 | 108.7° | 109.5° |
| C34 | C36 | C37 | 126.0° | 119.7° |
| C36 | C34 | C19 | 114.5° | 108.8° |
| C36 | C34 | H49 | 107.8° | 109.6° |
| C34 | C36 | H53 | 117.0° | 120.2° |
| C36 | C37 | C38 | 124.7° | 120.1° |
| C37 | C36 | H53 | 117.0° | 120.1° |
| C36 | C37 | H55 | 117.7° | 120.5° |
| O3 | C22 | C21 | 108.9° | 109.5° |
| O3 | C22 | H27 | 109.9° | 109.6° |
| C22 | C21 | C20 | 111.5° | 109.1° |
| C22 | C21 | H25 | 109.0° | 109.5° |
| C22 | C21 | H26 | 109.0° | 109.5° |
| C21 | C22 | H27 | 108.7° | 109.5° |
| C42 | C41 | C47 | 119.0° | 112.2° |
| C41 | C42 | C43 | 112.8° | 111.0° |
| C42 | C41 | H65 | 107.6° | 109.7° |
| C41 | C42 | H66 | 108.5° | 109.2° |
| C41 | C47 | C39 | 98.9° | 104.0° |
| C41 | C47 | O13 | 113.5° | 110.3° |
| C41 | C47 | C45 | 113.7° | 111.8° |
| C47 | C41 | H65 | 107.3° | 109.2° |
| C34 | C19 | O2 | 105.7° | 109.5° |
| C34 | C19 | C17 | 112.5° | 109.2° |
| C34 | C19 | H21 | 108.7° | 109.5° |
| C19 | C34 | H49 | 107.4° | 109.5° |
| O8 | C20 | O2 | 110.6° | 109.5° |
| O8 | C20 | C21 | 110.1° | 109.4° |
| O8 | C20 | H24 | 109.7° | 109.5° |
| C42 | C43 | C48 | 115.7° | 121.1° |
| C42 | C43 | C44 | 120.5° | 117.8° |
| C43 | C42 | H66 | 108.4° | 109.2° |
| C19 | O2 | C20 | 112.7° | 114.0° |
| O2 | C19 | C17 | 110.6° | 109.5° |
| O2 | C19 | H21 | 110.2° | 109.6° |
| O2 | C20 | C21 | 108.3° | 109.5° |
| O2 | C20 | H24 | 109.8° | 109.5° |
| C38 | C39 | C47 | 126.1° | 128.9° |
| C39 | C38 | C37 | 127.6° | 122.2° |
| C39 | C38 | H58 | 116.2° | 119.0° |
| C39 | C47 | O13 | 107.4° | 109.9° |
| C39 | C47 | C45 | 114.9° | 109.6° |
| C38 | C37 | H55 | 117.7° | 119.4° |
| C37 | C38 | H58 | 116.2° | 118.8° |
| C19 | C17 | C16 | 120.3° | 120.5° |
| C19 | C17 | C18 | 115.8° | 119.6° |
| C17 | C19 | H21 | 109.0° | 109.5° |
| C21 | C20 | H24 | 108.4° | 109.4° |
| C20 | C21 | H25 | 109.0° | 109.5° |
| C20 | C21 | H26 | 108.9° | 109.5° |
| O13 | C47 | C45 | 108.3° | 111.0° |
| C47 | O13 | H79 | 109.5° | 114.0° |
| C47 | C45 | C44 | 116.1° | 108.8° |
| C47 | C45 | C46 | 107.2° | 111.4° |
| C47 | C45 | H68 | 109.8° | 109.2° |
| C48 | C43 | C44 | 123.8° | 121.1° |
| C43 | C48 | H69 | 109.5° | 109.4° |
| C43 | C48 | H70 | 109.5° | 109.5° |
| C43 | C48 | H71 | 109.5° | 109.5° |
| C43 | C44 | C45 | 126.3° | 115.6° |
| C43 | C44 | H67 | 116.8° | 122.2° |
| C44 | C45 | C46 | 105.3° | 108.2° |
| C45 | C44 | H67 | 116.8° | 122.2° |
| C44 | C45 | H68 | 109.2° | 109.3° |
| C45 | C46 | O11 | 125.2° | 121.0° |
| C45 | C46 | O12 | 110.8° | 118.0° |
| C46 | C45 | H68 | 109.0° | 109.9° |
| C16 | C17 | C18 | 123.9° | 119.9° |
| C17 | C16 | C15 | 128.1° | 120.6° |
| C17 | C16 | H16 | 115.9° | 119.6° |
| C17 | C18 | H18 | 109.5° | 109.5° |
| C17 | C18 | H19 | 109.5° | 109.5° |
| C17 | C18 | H20 | 109.5° | 109.4° |
| C16 | C15 | C14 | 109.5° | 109.2° |
| C16 | C15 | H13 | 109.5° | 109.5° |
| C16 | C15 | H14 | 109.5° | 109.6° |
| C15 | C16 | H16 | 115.9° | 119.8° |
| O11 | C46 | O12 | 124.0° | 121.0° |
| C46 | O12 | C12 | 116.1° | 118.6° |
| O12 | C12 | C13 | 105.5° | 109.7° |
| O12 | C12 | C11 | 108.1° | 109.6° |
| O12 | C12 | H9 | 111.4° | 109.5° |
| C12 | C13 | C14 | 107.1° | 109.2° |
| C13 | C12 | C11 | 110.7° | 109.5° |
| C13 | C12 | H9 | 110.5° | 109.4° |
| C12 | C13 | H10 | 110.0° | 109.5° |
| C12 | C13 | H11 | 110.1° | 109.6° |
| C13 | C14 | C15 | 112.4° | 109.2° |
| C13 | C14 | O14 | 108.8° | 109.6° |
| C14 | C13 | H10 | 110.1° | 109.5° |
| C14 | C13 | H11 | 110.1° | 109.5° |
| C13 | C14 | H12 | 109.2° | 109.6° |
| C15 | C14 | O14 | 106.9° | 110.3° |
| C15 | C14 | H12 | 109.2° | 109.2° |
| C14 | C15 | H13 | 109.5° | 109.5° |
| C14 | C15 | H14 | 109.5° | 109.5° |
| C12 | C11 | C6 | 109.6° | 109.5° |
| C12 | C11 | H7 | 109.4° | 109.5° |
| C12 | C11 | H8 | 109.4° | 109.5° |
| C11 | C12 | H9 | 110.5° | 109.0° |
| C14 | O14 | C6 | 114.2° | 113.3° |
| O14 | C14 | H12 | 110.3° | 108.9° |
| C1 | C2 | C3 | 114.2° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H22 | 108.3° | 109.4° |
| C1 | C2 | H23 | 108.3° | 109.4° |
| C2 | C3 | C4 | 111.4° | 109.5° |
| C2 | C3 | C5 | 111.6° | 109.5° |
| C3 | C2 | H22 | 108.3° | 109.5° |
| C3 | C2 | H23 | 108.3° | 109.5° |
| C2 | C3 | H40 | 107.7° | 109.4° |
| C11 | C6 | O14 | 110.6° | 109.1° |
| C11 | C6 | O1 | 106.1° | 109.2° |
| C11 | C6 | C7 | 113.2° | 109.8° |
| C6 | C11 | H7 | 109.5° | 109.5° |
| C6 | C11 | H8 | 109.4° | 109.4° |
| O14 | C6 | O1 | 109.4° | 109.1° |
| O14 | C6 | C7 | 106.7° | 109.9° |
| C4 | C3 | C5 | 110.7° | 109.5° |
| C4 | C3 | H40 | 107.6° | 109.5° |
| C3 | C4 | H60 | 109.5° | 109.5° |
| C3 | C4 | H61 | 109.4° | 109.5° |
| C3 | C4 | H62 | 109.4° | 109.5° |
| C6 | O1 | C5 | 114.0° | 113.1° |
| O1 | C6 | C7 | 110.7° | 109.7° |
| O1 | C5 | C3 | 106.0° | 109.5° |
| O1 | C5 | C9 | 110.2° | 109.2° |
| O1 | C5 | H72 | 109.2° | 109.6° |
| C6 | C7 | C8 | 111.7° | 122.8° |
| C6 | C7 | H73 | 124.2° | 118.6° |
| C3 | C5 | C9 | 115.5° | 109.5° |
| C5 | C3 | H40 | 107.6° | 109.4° |
| C3 | C5 | H72 | 107.9° | 109.5° |
| C5 | C9 | C8 | 107.9° | 110.0° |
| C5 | C9 | C10 | 112.2° | 109.4° |
| C9 | C5 | H72 | 107.9° | 109.6° |
| C5 | C9 | H77 | 108.6° | 109.4° |
| C7 | C8 | C9 | 113.7° | 122.9° |
| C8 | C7 | H73 | 124.2° | 118.6° |
| C7 | C8 | H75 | 123.2° | 118.5° |
| C8 | C9 | C10 | 110.9° | 109.3° |
| C9 | C8 | H75 | 123.1° | 118.5° |
| C8 | C9 | H77 | 108.6° | 109.3° |
| C9 | C10 | H4 | 109.5° | 109.5° |
| C9 | C10 | H5 | 109.5° | 109.5° |
| C9 | C10 | H6 | 109.5° | 109.5° |
| C10 | C9 | H77 | 108.6° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.4° | 109.4° |
| H4 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.6° |
| H13 | C15 | H14 | 109.4° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H20 | 109.4° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| H25 | C21 | H26 | 109.5° | 109.6° |
| H28 | C23 | H29 | 109.4° | 109.5° |
| H28 | C23 | H30 | 109.4° | 109.4° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H33 | C26 | H34 | 109.5° | 109.5° |
| H36 | C28 | H37 | 109.5° | 109.5° |
| H36 | C28 | H38 | 109.5° | 109.4° |
| H37 | C28 | H38 | 109.5° | 109.5° |
| H42 | C31 | H43 | 109.5° | 109.4° |
| H42 | C31 | H44 | 109.5° | 109.5° |
| H43 | C31 | H44 | 109.5° | 109.5° |
| H46 | C33 | H47 | 109.5° | 109.4° |
| H46 | C33 | H48 | 109.5° | 109.6° |
| H47 | C33 | H48 | 109.5° | 109.5° |
| H50 | C35 | H51 | 109.5° | 109.5° |
| H50 | C35 | H52 | 109.5° | 109.4° |
| H51 | C35 | H52 | 109.5° | 109.4° |
| H60 | C4 | H61 | 109.5° | 109.5° |
| H60 | C4 | H62 | 109.5° | 109.4° |
| H61 | C4 | H62 | 109.5° | 109.5° |
| H63 | C40 | H64 | 109.5° | 110.4° |
| H69 | C48 | H70 | 109.4° | 109.4° |
| H69 | C48 | H71 | 109.5° | 109.5° |
| H70 | C48 | H71 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | O5 | C27 | C29 | 171.7° | 150.0° |
| C28 | O5 | C27 | C26 | 49.7° | 90.5° |
| C28 | O5 | C27 | H35 | 69.5° | 29.8° |
| O5 | C28 | H36 | H37 | 120.0° | 120.0° |
| O5 | C28 | H36 | H38 | 120.0° | 120.0° |
| O5 | C28 | H37 | H38 | 120.0° | 120.0° |
| O5 | C27 | C29 | O6 | 83.3° | 63.3° |
| O5 | C27 | C29 | C26 | 122.4° | 119.8° |
| O5 | C27 | C29 | H35 | 119.6° | 120.3° |
| O5 | C27 | C26 | H35 | 119.8° | 120.3° |
| O5 | C27 | C29 | C30 | 156.4° | 176.8° |
| O5 | C27 | C26 | C25 | 96.6° | 176.8° |
| O5 | C27 | C26 | H33 | 143.0° | 56.9° |
| O5 | C27 | C26 | H34 | 23.8° | 63.3° |
| C27 | O5 | C28 | H36 | 180.0° | 180.0° |
| C27 | O5 | C28 | H37 | 60.0° | 60.1° |
| C27 | O5 | C28 | H38 | 60.0° | 60.0° |
| O5 | C27 | C29 | H39 | 37.2° | 56.9° |
| O6 | C29 | C27 | C30 | 120.3° | 119.9° |
| O6 | C29 | C27 | H39 | 120.5° | 120.2° |
| O6 | C29 | C27 | C26 | 154.3° | 176.9° |
| O6 | C29 | C30 | H39 | 121.1° | 120.2° |
| O6 | C29 | C30 | C31 | 54.3° | 62.5° |
| O6 | C29 | C30 | O7 | 173.7° | 177.6° |
| O6 | C29 | C27 | H35 | 36.3° | 57.0° |
| O6 | C29 | C30 | H41 | 66.6° | 57.5° |
| C29 | C27 | C26 | H35 | 117.9° | 119.9° |
| C27 | C29 | C30 | H39 | 119.1° | 119.9° |
| C29 | C27 | C26 | C25 | 25.7° | 57.0° |
| C27 | C29 | C30 | C31 | 174.0° | 177.6° |
| C27 | C29 | C30 | O7 | 66.5° | 57.6° |
| C29 | C27 | C26 | H33 | 94.7° | 62.9° |
| C29 | C27 | C26 | H34 | 146.1° | 176.9° |
| C27 | C29 | C30 | H41 | 53.1° | 62.4° |
| C27 | C29 | O6 | H80 | 180.0° | 180.0° |
| C26 | C27 | C29 | C30 | 34.0° | 57.0° |
| C27 | C26 | C25 | H33 | 120.4° | 119.9° |
| C27 | C26 | C25 | H34 | 120.4° | 120.0° |
| C27 | C26 | C25 | O7 | 61.4° | 57.6° |
| C27 | C26 | C25 | O4 | 176.9° | 62.3° |
| C27 | C26 | C25 | H32 | 59.0° | 177.6° |
| C27 | C26 | H33 | H34 | 118.8° | 120.2° |
| C26 | C27 | C29 | H39 | 85.2° | 62.9° |
| C29 | C30 | C31 | O7 | 121.0° | 119.9° |
| C29 | C30 | C31 | H41 | 120.8° | 120.0° |
| C29 | C30 | O7 | H41 | 119.0° | 120.0° |
| C29 | C30 | O7 | C25 | 32.2° | 61.2° |
| C30 | C29 | C27 | H35 | 84.0° | 62.9° |
| C29 | C30 | C31 | H42 | 180.0° | 65.5° |
| C29 | C30 | C31 | H43 | 60.0° | 174.6° |
| C29 | C30 | C31 | H44 | 60.0° | 54.6° |
| C30 | C29 | O6 | H80 | 60.0° | 60.3° |
| C26 | C25 | O7 | C30 | 29.3° | 61.2° |
| C26 | C25 | O7 | O4 | 119.3° | 119.9° |
| C26 | C25 | O7 | H32 | 119.7° | 120.0° |
| C26 | C25 | O4 | H32 | 117.1° | 120.1° |
| C26 | C25 | O4 | C24 | 135.2° | 168.6° |
| C25 | C26 | H33 | H34 | 118.8° | 120.1° |
| C25 | C26 | C27 | H35 | 143.6° | 62.9° |
| C31 | C30 | O7 | H41 | 117.5° | 120.0° |
| C31 | C30 | O7 | C25 | 155.7° | 178.9° |
| C31 | C30 | C29 | H39 | 66.8° | 57.7° |
| C30 | C31 | H42 | H43 | 120.0° | 119.9° |
| C30 | C31 | H42 | H44 | 120.0° | 120.0° |
| C30 | C31 | H43 | H44 | 120.0° | 120.1° |
| C30 | O7 | C25 | O4 | 148.5° | 58.8° |
| C30 | O7 | C25 | H32 | 90.4° | 178.9° |
| O7 | C30 | C29 | H39 | 52.6° | 62.3° |
| O7 | C30 | C31 | H42 | 59.0° | 174.6° |
| O7 | C30 | C31 | H43 | 61.0° | 54.7° |
| O7 | C30 | C31 | H44 | 179.0° | 65.4° |
| O7 | C25 | O4 | H32 | 121.0° | 120.1° |
| O7 | C25 | O4 | C24 | 13.3° | 71.6° |
| O7 | C25 | C26 | H33 | 59.0° | 62.3° |
| O7 | C25 | C26 | H34 | 178.2° | 177.6° |
| C25 | O7 | C30 | H41 | 86.8° | 58.8° |
| C25 | O4 | C24 | C32 | 112.2° | 152.5° |
| C25 | O4 | C24 | C22 | 128.7° | 87.8° |
| C25 | O4 | C24 | H31 | 7.9° | 32.3° |
| O4 | C25 | C26 | H33 | 62.7° | 177.7° |
| O4 | C25 | C26 | H34 | 56.5° | 57.6° |
| O4 | C24 | C32 | C33 | 77.1° | 62.5° |
| O4 | C24 | C32 | C22 | 115.1° | 119.9° |
| O4 | C24 | C32 | H31 | 121.1° | 120.1° |
| O4 | C24 | C22 | H31 | 121.6° | 120.2° |
| O4 | C24 | C32 | O8 | 164.3° | 177.5° |
| O4 | C24 | C22 | O3 | 81.9° | 63.2° |
| O4 | C24 | C22 | C21 | 157.8° | 176.9° |
| O4 | C24 | C22 | H27 | 37.1° | 57.0° |
| C24 | O4 | C25 | H32 | 107.7° | 48.5° |
| O4 | C24 | C32 | H45 | 43.8° | 57.6° |
| C33 | C32 | C24 | O8 | 118.6° | 120.0° |
| C33 | C32 | C24 | H45 | 120.9° | 120.0° |
| C33 | C32 | C24 | C22 | 167.8° | 177.6° |
| C33 | C32 | O8 | H45 | 117.0° | 120.1° |
| C33 | C32 | O8 | C20 | 175.5° | 178.9° |
| C33 | C32 | C24 | H31 | 44.0° | 57.7° |
| C32 | C33 | H46 | H47 | 120.0° | 119.9° |
| C32 | C33 | H46 | H48 | 120.0° | 120.1° |
| C32 | C33 | H47 | H48 | 120.0° | 120.0° |
| C35 | C34 | C36 | C19 | 124.5° | 119.8° |
| C35 | C34 | C36 | H49 | 116.1° | 120.4° |
| C35 | C34 | C36 | C37 | 145.2° | 87.8° |
| C35 | C34 | C19 | H49 | 117.1° | 120.2° |
| C35 | C34 | C19 | O2 | 84.7° | 72.4° |
| C35 | C34 | C19 | C17 | 154.5° | 167.7° |
| C35 | C34 | C19 | H21 | 33.6° | 47.8° |
| C34 | C35 | H50 | H51 | 120.0° | 120.0° |
| C34 | C35 | H50 | H52 | 120.0° | 120.1° |
| C34 | C35 | H51 | H52 | 120.0° | 120.0° |
| C35 | C34 | C36 | H53 | 34.8° | 94.1° |
| C32 | C24 | C22 | H31 | 123.8° | 119.9° |
| C24 | C32 | O8 | H45 | 119.8° | 119.9° |
| C32 | C24 | C22 | O3 | 163.5° | 176.8° |
| C32 | C24 | C22 | C21 | 43.2° | 57.0° |
| C24 | C32 | O8 | C20 | 61.2° | 61.1° |
| C32 | C24 | C22 | H27 | 77.5° | 62.9° |
| C24 | C32 | C33 | H46 | 180.0° | 65.3° |
| C24 | C32 | C33 | H47 | 60.0° | 174.8° |
| C24 | C32 | C33 | H48 | 60.0° | 54.8° |
| C22 | C24 | C32 | O8 | 49.2° | 57.6° |
| C24 | C22 | O3 | C23 | 96.6° | 150.5° |
| C24 | C22 | O3 | C21 | 123.0° | 119.5° |
| C24 | C22 | O3 | H27 | 118.1° | 120.3° |
| C24 | C22 | C21 | H27 | 120.7° | 120.0° |
| C24 | C22 | C21 | C20 | 46.2° | 57.0° |
| C24 | C22 | C21 | H25 | 166.5° | 62.9° |
| C24 | C22 | C21 | H26 | 74.1° | 176.9° |
| C22 | C24 | C32 | H45 | 71.3° | 62.3° |
| C32 | O8 | C20 | O2 | 55.1° | 58.9° |
| C32 | O8 | C20 | C21 | 64.5° | 61.1° |
| C32 | O8 | C20 | H24 | 176.3° | 178.9° |
| O8 | C32 | C24 | H31 | 74.6° | 62.3° |
| O8 | C32 | C33 | H46 | 58.5° | 174.8° |
| O8 | C32 | C33 | H47 | 61.5° | 54.8° |
| O8 | C32 | C33 | H48 | 178.5° | 65.1° |
| O10 | C42 | C41 | O9 | 35.0° | 40.9° |
| O10 | C42 | C41 | C43 | 120.1° | 120.3° |
| O10 | C42 | C41 | H66 | 119.8° | 119.2° |
| O10 | C42 | C41 | C47 | 155.2° | 78.1° |
| O10 | C42 | C43 | H66 | 118.9° | 119.3° |
| O10 | C42 | C43 | C48 | 40.0° | 109.4° |
| O10 | C42 | C43 | C44 | 139.6° | 70.6° |
| O10 | C42 | C41 | H65 | 82.6° | 160.3° |
| C23 | O3 | C22 | C21 | 140.5° | 90.0° |
| C23 | O3 | C22 | H27 | 21.5° | 30.1° |
| O3 | C23 | H28 | H29 | 120.0° | 120.0° |
| O3 | C23 | H28 | H30 | 120.0° | 120.0° |
| O3 | C23 | H29 | H30 | 120.0° | 120.0° |
| O9 | C40 | C39 | H63 | 119.4° | 118.9° |
| O9 | C40 | C39 | H64 | 119.4° | 118.9° |
| C40 | O9 | C41 | C42 | 171.7° | 109.6° |
| C40 | O9 | C41 | C47 | 43.2° | 12.1° |
| O9 | C40 | C39 | C38 | 177.2° | 148.2° |
| O9 | C40 | C39 | C47 | 3.2° | 29.8° |
| O9 | C40 | H63 | H64 | 121.7° | 122.1° |
| C40 | O9 | C41 | H65 | 71.4° | 130.9° |
| C39 | C40 | O9 | C41 | 28.6° | 26.2° |
| C40 | C39 | C47 | C41 | 21.2° | 22.1° |
| C40 | C39 | C38 | C47 | 179.6° | 177.6° |
| C40 | C39 | C38 | C37 | 112.6° | 173.4° |
| C40 | C39 | C47 | O13 | 139.3° | 140.2° |
| C40 | C39 | C47 | C45 | 100.2° | 97.6° |
| C40 | C39 | C38 | H58 | 67.4° | 8.2° |
| C39 | C40 | H63 | H64 | 121.7° | 122.1° |
| O9 | C41 | C42 | C47 | 120.2° | 119.0° |
| O9 | C41 | C42 | H65 | 117.6° | 119.5° |
| O9 | C41 | C47 | H65 | 115.6° | 119.0° |
| O9 | C41 | C42 | C43 | 85.1° | 161.2° |
| O9 | C41 | C47 | C39 | 39.5° | 7.1° |
| O9 | C41 | C47 | O13 | 152.9° | 124.9° |
| O9 | C41 | C47 | C45 | 82.8° | 111.1° |
| C41 | O9 | C40 | H63 | 90.9° | 92.7° |
| C41 | O9 | C40 | H64 | 148.0° | 145.1° |
| O9 | C41 | C42 | H66 | 154.8° | 78.4° |
| C34 | C36 | C37 | H53 | 180.0° | 178.1° |
| C36 | C34 | C19 | H49 | 119.6° | 119.8° |
| C36 | C34 | C19 | O2 | 38.7° | 47.6° |
| C34 | C36 | C37 | C38 | 57.6° | 2.2° |
| C36 | C34 | C19 | C17 | 82.2° | 72.3° |
| C36 | C34 | C19 | H21 | 157.0° | 167.7° |
| C36 | C34 | C35 | H50 | 180.0° | 53.1° |
| C36 | C34 | C35 | H51 | 60.0° | 66.9° |
| C36 | C34 | C35 | H52 | 60.0° | 173.1° |
| C34 | C36 | C37 | H55 | 122.5° | 179.0° |
| C37 | C36 | C34 | C19 | 90.3° | 152.3° |
| C36 | C37 | C38 | C39 | 115.9° | 162.3° |
| C36 | C37 | C38 | H55 | 180.0° | 178.8° |
| C37 | C36 | C34 | H49 | 29.1° | 32.6° |
| C36 | C37 | C38 | H58 | 64.1° | 16.1° |
| O3 | C22 | C21 | H27 | 119.7° | 120.2° |
| O3 | C22 | C21 | C20 | 165.8° | 176.9° |
| O3 | C22 | C21 | H25 | 73.9° | 57.0° |
| O3 | C22 | C21 | H26 | 45.5° | 63.3° |
| C22 | O3 | C23 | H28 | 180.0° | 60.0° |
| C22 | O3 | C23 | H29 | 60.0° | 60.0° |
| C22 | O3 | C23 | H30 | 60.0° | 180.0° |
| O3 | C22 | C24 | H31 | 39.8° | 56.9° |
| C22 | C21 | C20 | O8 | 55.7° | 57.6° |
| C22 | C21 | C20 | O2 | 65.3° | 62.4° |
| C22 | C21 | C20 | H25 | 120.3° | 119.9° |
| C22 | C21 | C20 | H26 | 120.3° | 119.9° |
| C22 | C21 | C20 | H24 | 175.7° | 177.6° |
| C22 | C21 | H25 | H26 | 119.1° | 120.2° |
| C21 | C22 | C24 | H31 | 80.5° | 62.9° |
| C42 | C41 | C47 | H65 | 122.3° | 121.8° |
| C41 | C42 | C43 | H66 | 120.2° | 120.4° |
| C42 | C41 | C47 | C39 | 161.6° | 126.2° |
| C42 | C41 | C47 | O13 | 85.0° | 115.9° |
| C42 | C41 | C47 | C45 | 39.3° | 8.0° |
| C41 | C42 | C43 | C48 | 161.0° | 130.3° |
| C41 | C42 | C43 | C44 | 18.7° | 49.8° |
| C41 | C42 | O10 | H78 | 180.0° | 180.0° |
| C47 | C41 | C42 | C43 | 35.1° | 42.2° |
| C41 | C47 | C39 | C38 | 158.5° | 155.9° |
| C41 | C47 | C39 | O13 | 118.1° | 118.1° |
| C41 | C47 | C39 | C45 | 121.4° | 119.7° |
| C41 | C47 | O13 | C45 | 127.2° | 124.4° |
| C41 | C47 | C45 | C44 | 25.1° | 54.4° |
| C41 | C47 | C45 | C46 | 142.5° | 173.6° |
| C47 | C41 | C42 | H66 | 85.0° | 162.7° |
| C41 | C47 | C45 | H68 | 99.2° | 64.8° |
| C41 | C47 | O13 | H79 | 120.4° | 58.8° |
| C34 | C19 | O2 | C17 | 122.1° | 119.8° |
| C34 | C19 | O2 | H21 | 117.3° | 120.1° |
| C34 | C19 | O2 | C20 | 167.4° | 153.5° |
| C34 | C19 | C17 | H21 | 120.6° | 119.9° |
| C34 | C19 | C17 | C16 | 89.7° | 127.0° |
| C34 | C19 | C17 | C18 | 89.4° | 52.4° |
| C19 | C34 | C35 | H50 | 53.3° | 66.3° |
| C19 | C34 | C35 | H51 | 66.7° | 173.7° |
| C19 | C34 | C35 | H52 | 173.3° | 53.7° |
| C19 | C34 | C36 | H53 | 89.7° | 25.8° |
| O8 | C20 | O2 | C19 | 87.7° | 71.6° |
| O8 | C20 | O2 | C21 | 120.7° | 120.0° |
| O8 | C20 | O2 | H24 | 121.1° | 120.1° |
| O8 | C20 | C21 | H24 | 120.0° | 120.0° |
| O8 | C20 | C21 | H25 | 176.0° | 62.3° |
| O8 | C20 | C21 | H26 | 64.6° | 177.5° |
| C20 | O8 | C32 | H45 | 58.6° | 58.8° |
| C42 | C43 | C48 | C44 | 179.7° | 179.9° |
| C42 | C43 | C44 | C45 | 7.3° | 1.0° |
| C43 | C42 | C41 | H65 | 157.3° | 79.3° |
| C42 | C43 | C44 | H67 | 172.7° | 179.0° |
| C42 | C43 | C48 | H69 | 180.0° | 90.0° |
| C42 | C43 | C48 | H70 | 60.0° | 150.0° |
| C42 | C43 | C48 | H71 | 60.0° | 29.9° |
| C43 | C42 | O10 | H78 | 57.0° | 58.5° |
| O2 | C19 | C17 | H21 | 121.4° | 120.1° |
| C19 | O2 | C20 | C21 | 151.5° | 168.4° |
| O2 | C19 | C17 | C16 | 28.3° | 7.1° |
| O2 | C19 | C17 | C18 | 152.7° | 172.4° |
| C19 | O2 | C20 | H24 | 33.4° | 48.4° |
| O2 | C19 | C34 | H49 | 158.3° | 167.4° |
| C20 | O2 | C19 | C17 | 70.5° | 86.7° |
| O2 | C20 | C21 | H24 | 119.0° | 120.0° |
| C20 | O2 | C19 | H21 | 50.2° | 33.4° |
| O2 | C20 | C21 | H25 | 55.0° | 177.7° |
| O2 | C20 | C21 | H26 | 174.4° | 57.5° |
| C39 | C38 | C37 | H58 | 180.0° | 178.4° |
| C38 | C39 | C47 | O13 | 40.4° | 37.8° |
| C38 | C39 | C47 | C45 | 80.1° | 84.4° |
| C39 | C38 | C37 | H55 | 64.1° | 18.9° |
| C38 | C39 | C40 | H63 | 63.4° | 92.8° |
| C38 | C39 | C40 | H64 | 57.7° | 29.3° |
| C47 | C39 | C38 | C37 | 67.0° | 4.2° |
| C39 | C47 | O13 | C45 | 124.6° | 121.4° |
| C39 | C47 | C45 | C44 | 138.0° | 169.2° |
| C39 | C47 | C45 | C46 | 104.6° | 71.6° |
| C47 | C39 | C38 | H58 | 113.0° | 174.2° |
| C47 | C39 | C40 | H63 | 116.3° | 89.1° |
| C47 | C39 | C40 | H64 | 122.6° | 148.7° |
| C39 | C47 | C41 | H65 | 76.1° | 111.9° |
| C39 | C47 | C45 | H68 | 13.7° | 50.0° |
| C39 | C47 | O13 | H79 | 131.5° | 55.3° |
| C38 | C37 | C36 | H53 | 122.4° | 179.7° |
| C19 | C17 | C16 | C18 | 179.0° | 179.5° |
| C19 | C17 | C16 | C15 | 160.3° | 179.3° |
| C19 | C17 | C16 | H16 | 19.7° | 1.7° |
| C19 | C17 | C18 | H18 | 180.0° | 125.9° |
| C19 | C17 | C18 | H19 | 60.0° | 5.9° |
| C19 | C17 | C18 | H20 | 60.0° | 114.1° |
| C17 | C19 | C34 | H49 | 37.4° | 47.5° |
| C20 | C21 | H25 | H26 | 119.1° | 120.1° |
| C20 | C21 | C22 | H27 | 74.5° | 63.0° |
| O13 | C47 | C45 | C44 | 101.9° | 69.2° |
| O13 | C47 | C45 | C46 | 15.4° | 50.0° |
| O13 | C47 | C41 | H65 | 37.3° | 5.9° |
| O13 | C47 | C45 | H68 | 133.7° | 171.6° |
| C47 | C45 | C44 | C43 | 10.9° | 51.7° |
| C47 | C45 | C44 | C46 | 118.3° | 121.2° |
| C47 | C45 | C44 | H68 | 124.7° | 119.2° |
| C47 | C45 | C46 | H68 | 118.8° | 121.2° |
| C47 | C45 | C46 | O11 | 69.0° | 27.5° |
| C47 | C45 | C46 | O12 | 111.8° | 152.5° |
| C45 | C47 | C41 | H65 | 161.6° | 129.9° |
| C47 | C45 | C44 | H67 | 169.1° | 128.3° |
| C45 | C47 | O13 | H79 | 6.8° | 176.7° |
| C48 | C43 | C44 | C45 | 172.3° | 179.0° |
| C48 | C43 | C42 | H66 | 78.9° | 9.9° |
| C48 | C43 | C44 | H67 | 7.7° | 0.9° |
| C43 | C48 | H69 | H70 | 120.0° | 120.0° |
| C43 | C48 | H69 | H71 | 120.0° | 120.0° |
| C43 | C48 | H70 | H71 | 120.0° | 120.1° |
| C43 | C44 | C45 | H67 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 129.2° | 172.9° |
| C44 | C43 | C42 | H66 | 101.5° | 170.2° |
| C43 | C44 | C45 | H68 | 113.8° | 67.4° |
| C44 | C43 | C48 | H69 | 0.3° | 90.0° |
| C44 | C43 | C48 | H70 | 119.6° | 29.9° |
| C44 | C43 | C48 | H71 | 120.3° | 150.0° |
| C44 | C45 | C46 | H68 | 117.1° | 119.3° |
| C44 | C45 | C46 | O11 | 55.2° | 147.0° |
| C44 | C45 | C46 | O12 | 124.0° | 33.0° |
| C45 | C46 | O11 | O12 | 179.1° | 180.0° |
| C45 | C46 | O12 | C12 | 155.1° | 179.2° |
| C46 | C45 | C44 | H67 | 50.7° | 7.1° |
| C17 | C16 | C15 | H16 | 180.0° | 179.1° |
| C17 | C16 | C15 | C14 | 138.5° | 99.6° |
| C17 | C16 | C15 | H13 | 101.5° | 20.3° |
| C17 | C16 | C15 | H14 | 18.5° | 140.4° |
| C16 | C17 | C18 | H18 | 1.0° | 54.6° |
| C16 | C17 | C18 | H19 | 121.0° | 174.7° |
| C16 | C17 | C18 | H20 | 119.0° | 65.4° |
| C16 | C17 | C19 | H21 | 149.7° | 113.1° |
| C18 | C17 | C16 | C15 | 20.7° | 0.2° |
| C18 | C17 | C16 | H16 | 159.3° | 178.9° |
| C17 | C18 | H18 | H19 | 120.0° | 120.0° |
| C17 | C18 | H18 | H20 | 120.0° | 120.0° |
| C17 | C18 | H19 | H20 | 120.0° | 119.9° |
| C18 | C17 | C19 | H21 | 31.3° | 67.5° |
| C16 | C15 | C14 | C13 | 41.6° | 67.3° |
| C16 | C15 | C14 | H13 | 120.0° | 119.9° |
| C16 | C15 | C14 | H14 | 120.0° | 120.0° |
| C16 | C15 | C14 | O14 | 161.0° | 172.2° |
| C16 | C15 | C14 | H12 | 79.8° | 52.6° |
| C16 | C15 | H13 | H14 | 120.0° | 120.2° |
| O11 | C46 | O12 | C12 | 25.6° | 0.8° |
| O11 | C46 | C45 | H68 | 172.3° | 93.7° |
| C46 | O12 | C12 | C13 | 116.8° | 46.5° |
| C46 | O12 | C12 | C11 | 124.7° | 166.8° |
| C46 | O12 | C12 | H9 | 3.1° | 73.7° |
| O12 | C46 | C45 | H68 | 7.0° | 86.3° |
| O12 | C12 | C13 | C11 | 116.7° | 120.4° |
| O12 | C12 | C13 | H9 | 120.6° | 120.2° |
| O12 | C12 | C13 | C14 | 176.5° | 175.8° |
| O12 | C12 | C11 | H9 | 122.2° | 119.8° |
| O12 | C12 | C11 | C6 | 171.0° | 176.2° |
| O12 | C12 | C11 | H7 | 51.0° | 56.2° |
| O12 | C12 | C11 | H8 | 69.0° | 63.8° |
| O12 | C12 | C13 | H10 | 63.9° | 64.3° |
| O12 | C12 | C13 | H11 | 56.9° | 55.9° |
| C12 | C13 | C14 | H10 | 119.6° | 119.9° |
| C12 | C13 | C14 | H11 | 119.6° | 119.9° |
| C12 | C13 | C14 | C15 | 179.0° | 178.6° |
| C13 | C12 | C11 | H9 | 122.8° | 119.7° |
| C12 | C13 | C14 | O14 | 60.7° | 57.6° |
| C13 | C12 | C11 | C6 | 55.9° | 55.7° |
| C13 | C12 | C11 | H7 | 64.1° | 64.3° |
| C13 | C12 | C11 | H8 | 175.9° | 175.7° |
| C12 | C13 | H10 | H11 | 121.1° | 120.2° |
| C12 | C13 | C14 | H12 | 59.7° | 61.8° |
| C13 | C14 | C15 | O14 | 119.4° | 120.6° |
| C13 | C14 | C15 | H12 | 121.4° | 119.8° |
| C14 | C13 | C12 | C11 | 59.8° | 55.4° |
| C13 | C14 | O14 | H12 | 119.8° | 119.9° |
| C13 | C14 | O14 | C6 | 62.0° | 62.6° |
| C14 | C13 | C12 | H9 | 62.9° | 64.0° |
| C14 | C13 | H10 | H11 | 121.1° | 120.1° |
| C13 | C14 | C15 | H13 | 161.6° | 52.7° |
| C13 | C14 | C15 | H14 | 78.4° | 172.7° |
| C15 | C14 | O14 | H12 | 118.5° | 119.8° |
| C15 | C14 | O14 | C6 | 176.3° | 177.1° |
| C15 | C14 | C13 | H10 | 61.4° | 61.5° |
| C15 | C14 | C13 | H11 | 59.3° | 58.7° |
| C14 | C15 | H13 | H14 | 120.0° | 120.1° |
| C14 | C15 | C16 | H16 | 41.5° | 81.3° |
| C12 | C11 | C6 | H7 | 120.0° | 120.0° |
| C12 | C11 | C6 | H8 | 120.0° | 120.0° |
| C12 | C11 | C6 | O14 | 52.8° | 57.7° |
| C12 | C11 | C6 | O1 | 65.8° | 61.4° |
| C12 | C11 | C6 | C7 | 172.5° | 178.2° |
| C12 | C11 | H7 | H8 | 120.0° | 120.0° |
| C11 | C12 | C13 | H10 | 179.4° | 175.3° |
| C11 | C12 | C13 | H11 | 59.8° | 64.5° |
| C14 | O14 | C6 | C11 | 57.6° | 62.4° |
| C14 | O14 | C6 | O1 | 59.0° | 56.8° |
| C14 | O14 | C6 | C7 | 178.9° | 177.1° |
| O14 | C14 | C13 | H10 | 179.7° | 177.5° |
| O14 | C14 | C13 | H11 | 58.9° | 62.3° |
| O14 | C14 | C15 | H13 | 79.0° | 67.9° |
| O14 | C14 | C15 | H14 | 40.9° | 52.2° |
| C1 | C2 | C3 | H22 | 120.7° | 120.0° |
| C1 | C2 | C3 | H23 | 120.7° | 120.0° |
| C1 | C2 | C3 | C4 | 155.8° | 65.0° |
| C1 | C2 | C3 | C5 | 31.5° | 175.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H22 | H23 | 117.9° | 120.0° |
| C1 | C2 | C3 | H40 | 86.4° | 55.0° |
| C2 | C3 | C4 | C5 | 124.8° | 120.0° |
| C2 | C3 | C4 | H40 | 117.9° | 120.0° |
| C2 | C3 | C5 | O1 | 75.9° | 65.3° |
| C2 | C3 | C5 | H40 | 118.0° | 119.9° |
| C2 | C3 | C5 | C9 | 161.8° | 175.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | H22 | H23 | 117.9° | 120.0° |
| C2 | C3 | C4 | H60 | 180.0° | 60.0° |
| C2 | C3 | C4 | H61 | 60.0° | 60.0° |
| C2 | C3 | C4 | H62 | 60.0° | 180.0° |
| C2 | C3 | C5 | H72 | 41.0° | 54.9° |
| C11 | C6 | O14 | O1 | 116.6° | 119.2° |
| C11 | C6 | O14 | C7 | 123.6° | 120.5° |
| C11 | C6 | O1 | C7 | 123.2° | 120.4° |
| C11 | C6 | O1 | C5 | 149.2° | 172.2° |
| C11 | C6 | C7 | C8 | 80.9° | 137.7° |
| C6 | C11 | H7 | H8 | 120.0° | 120.0° |
| C6 | C11 | C12 | H9 | 66.8° | 64.0° |
| C11 | C6 | C7 | H73 | 99.1° | 42.2° |
| O14 | C6 | O1 | C7 | 117.4° | 120.4° |
| O14 | C6 | O1 | C5 | 91.4° | 68.7° |
| O14 | C6 | C7 | C8 | 157.1° | 102.2° |
| O14 | C6 | C11 | H7 | 67.2° | 62.3° |
| O14 | C6 | C11 | H8 | 172.8° | 177.7° |
| C6 | O14 | C14 | H12 | 57.8° | 57.3° |
| O14 | C6 | C7 | H73 | 22.9° | 77.9° |
| C4 | C3 | C5 | O1 | 48.8° | 54.7° |
| C4 | C3 | C5 | H40 | 117.3° | 120.0° |
| C4 | C3 | C5 | C9 | 73.4° | 65.0° |
| C4 | C3 | C2 | H22 | 35.1° | 175.0° |
| C4 | C3 | C2 | H23 | 83.5° | 55.0° |
| C3 | C4 | H60 | H61 | 120.0° | 120.0° |
| C3 | C4 | H60 | H62 | 120.0° | 120.0° |
| C3 | C4 | H61 | H62 | 119.9° | 120.0° |
| C4 | C3 | C5 | H72 | 165.7° | 174.9° |
| C6 | O1 | C5 | C3 | 170.6° | 173.0° |
| C6 | O1 | C5 | C9 | 63.7° | 67.1° |
| O1 | C6 | C7 | C8 | 38.1° | 17.6° |
| O1 | C6 | C11 | H7 | 174.2° | 178.5° |
| O1 | C6 | C11 | H8 | 54.2° | 58.5° |
| C6 | O1 | C5 | H72 | 54.7° | 53.0° |
| O1 | C6 | C7 | H73 | 141.9° | 162.2° |
| C5 | O1 | C6 | C7 | 26.0° | 51.7° |
| O1 | C5 | C3 | C9 | 122.3° | 119.7° |
| O1 | C5 | C3 | H72 | 116.9° | 120.2° |
| O1 | C5 | C9 | H72 | 119.2° | 120.1° |
| O1 | C5 | C9 | C8 | 36.6° | 44.4° |
| O1 | C5 | C9 | C10 | 159.1° | 164.5° |
| O1 | C5 | C3 | H40 | 166.2° | 174.8° |
| O1 | C5 | C9 | H77 | 80.9° | 75.7° |
| C6 | C7 | C8 | H73 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 64.4° | 0.0° |
| C7 | C6 | C11 | H7 | 52.5° | 58.2° |
| C7 | C6 | C11 | H8 | 67.5° | 61.8° |
| C6 | C7 | C8 | H75 | 115.6° | 179.9° |
| C3 | C5 | C9 | H72 | 120.8° | 120.1° |
| C3 | C5 | C9 | C8 | 156.6° | 164.3° |
| C3 | C5 | C9 | C10 | 80.9° | 75.6° |
| C5 | C3 | C2 | H22 | 89.2° | 55.0° |
| C5 | C3 | C2 | H23 | 152.2° | 65.0° |
| C5 | C3 | C4 | H60 | 55.2° | 60.0° |
| C5 | C3 | C4 | H61 | 64.8° | 180.0° |
| C5 | C3 | C4 | H62 | 175.2° | 60.0° |
| C3 | C5 | C9 | H77 | 39.1° | 44.2° |
| C5 | C9 | C8 | C7 | 25.2° | 13.4° |
| C5 | C9 | C8 | C10 | 123.3° | 120.2° |
| C5 | C9 | C8 | H77 | 117.5° | 120.1° |
| C5 | C9 | C10 | H77 | 120.0° | 119.8° |
| C5 | C9 | C10 | H4 | 180.0° | 60.0° |
| C5 | C9 | C10 | H5 | 60.0° | 179.9° |
| C5 | C9 | C10 | H6 | 60.0° | 60.0° |
| C9 | C5 | C3 | H40 | 43.9° | 55.0° |
| C5 | C9 | C8 | H75 | 154.9° | 166.5° |
| C7 | C8 | C9 | H75 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 98.1° | 133.5° |
| C7 | C8 | C9 | H77 | 142.7° | 106.7° |
| C8 | C9 | C10 | H77 | 119.2° | 119.7° |
| C8 | C9 | C10 | H4 | 59.2° | 60.6° |
| C8 | C9 | C10 | H5 | 179.2° | 59.4° |
| C8 | C9 | C10 | H6 | 60.8° | 179.4° |
| C8 | C9 | C5 | H72 | 82.5° | 75.7° |
| C9 | C8 | C7 | H73 | 115.5° | 179.9° |
| C9 | C10 | H4 | H5 | 120.0° | 120.0° |
| C9 | C10 | H4 | H6 | 120.0° | 120.0° |
| C9 | C10 | H5 | H6 | 120.0° | 120.0° |
| C10 | C9 | C5 | H72 | 40.0° | 44.5° |
| C10 | C9 | C8 | H75 | 81.9° | 46.4° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H22 | 59.3° | 60.0° |
| H1 | C1 | C2 | H23 | 59.3° | 60.0° |
| H2 | C1 | C2 | H22 | 60.7° | 60.0° |
| H2 | C1 | C2 | H23 | 179.3° | 180.0° |
| H3 | C1 | C2 | H22 | 179.3° | 180.0° |
| H3 | C1 | C2 | H23 | 60.7° | 60.0° |
| H4 | C10 | H5 | H6 | 120.0° | 120.0° |
| H4 | C10 | C9 | H77 | 60.0° | 179.7° |
| H5 | C10 | C9 | H77 | 60.0° | 60.3° |
| H6 | C10 | C9 | H77 | 180.0° | 59.7° |
| H7 | C11 | C12 | H9 | 173.1° | 176.0° |
| H8 | C11 | C12 | H9 | 53.1° | 56.0° |
| H9 | C12 | C13 | H10 | 56.7° | 55.9° |
| H9 | C12 | C13 | H11 | 177.4° | 176.1° |
| H10 | C13 | C14 | H12 | 59.9° | 58.1° |
| H11 | C13 | C14 | H12 | 179.3° | 178.2° |
| H12 | C14 | C15 | H13 | 40.2° | 172.5° |
| H12 | C14 | C15 | H14 | 160.2° | 67.4° |
| H13 | C15 | C16 | H16 | 78.6° | 158.8° |
| H14 | C15 | C16 | H16 | 161.5° | 38.6° |
| H18 | C18 | H19 | H20 | 120.0° | 120.0° |
| H21 | C19 | C34 | H49 | 83.4° | 72.4° |
| H22 | C2 | C3 | H40 | 153.0° | 65.0° |
| H23 | C2 | C3 | H40 | 34.4° | 175.0° |
| H24 | C20 | C21 | H25 | 64.0° | 57.7° |
| H24 | C20 | C21 | H26 | 55.4° | 62.5° |
| H25 | C21 | C22 | H27 | 45.8° | 177.1° |
| H26 | C21 | C22 | H27 | 165.2° | 56.9° |
| H27 | C22 | C24 | H31 | 158.7° | 177.2° |
| H28 | C23 | H29 | H30 | 120.0° | 120.0° |
| H31 | C24 | C32 | H45 | 164.9° | 177.7° |
| H32 | C25 | C26 | H33 | 179.4° | 57.7° |
| H32 | C25 | C26 | H34 | 61.4° | 62.4° |
| H33 | C26 | C27 | H35 | 23.2° | 177.2° |
| H34 | C26 | C27 | H35 | 96.0° | 57.0° |
| H35 | C27 | C29 | H39 | 156.8° | 177.2° |
| H36 | C28 | H37 | H38 | 120.0° | 120.0° |
| H39 | C29 | C30 | H41 | 172.3° | 177.7° |
| H39 | C29 | O6 | H80 | 60.3° | 59.8° |
| H40 | C3 | C4 | H60 | 62.1° | 180.0° |
| H40 | C3 | C4 | H61 | 177.9° | 60.0° |
| H40 | C3 | C4 | H62 | 57.9° | 60.0° |
| H40 | C3 | C5 | H72 | 77.0° | 65.1° |
| H41 | C30 | C31 | H42 | 59.2° | 54.5° |
| H41 | C30 | C31 | H43 | 179.2° | 65.4° |
| H41 | C30 | C31 | H44 | 60.9° | 174.6° |
| H42 | C31 | H43 | H44 | 120.0° | 120.0° |
| H45 | C32 | C33 | H46 | 59.2° | 54.7° |
| H45 | C32 | C33 | H47 | 179.2° | 65.2° |
| H45 | C32 | C33 | H48 | 60.9° | 174.8° |
| H46 | C33 | H47 | H48 | 120.0° | 120.1° |
| H49 | C34 | C35 | H50 | 63.7° | 173.5° |
| H49 | C34 | C35 | H51 | 176.3° | 53.5° |
| H49 | C34 | C35 | H52 | 56.3° | 66.5° |
| H49 | C34 | C36 | H53 | 150.9° | 145.5° |
| H50 | C35 | H51 | H52 | 120.0° | 120.0° |
| H53 | C36 | C37 | H55 | 57.6° | 0.9° |
| H55 | C37 | C38 | H58 | 115.9° | 162.7° |
| H60 | C4 | H61 | H62 | 120.0° | 120.0° |
| H65 | C41 | C42 | H66 | 37.2° | 41.1° |
| H66 | C42 | O10 | H78 | 61.0° | 60.7° |
| H67 | C44 | C45 | H68 | 66.2° | 112.6° |
| H69 | C48 | H70 | H71 | 120.0° | 120.0° |
| H72 | C5 | C9 | H77 | 159.9° | 164.2° |
| H73 | C7 | C8 | H75 | 64.4° | 0.2° |
| H75 | C8 | C9 | H77 | 37.4° | 73.3° |
