E53
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | O10 | sing | 1.43Å | 1.43Å | |
| C39 | C38 | sing | 1.54Å | 1.54Å | |
| O10 | C29 | sing | 1.43Å | 1.43Å | |
| C38 | C37 | sing | 1.51Å | 1.51Å | |
| C38 | C40 | sing | 1.56Å | 1.56Å | |
| C35 | C34 | doub | 1.33Å | 1.33Å | |
| C35 | C36 | sing | 1.47Å | 1.47Å | |
| C34 | C33 | sing | 1.47Å | 1.47Å | |
| C37 | C36 | doub | 1.33Å | 1.33Å | |
| C29 | C31 | sing | 1.49Å | 1.49Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.52Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.52Å | 1.52Å | |
| C33 | C31 | doub | 1.33Å | 1.33Å | |
| C31 | C32 | sing | 1.50Å | 1.50Å | |
| C40 | C41 | sing | 1.56Å | 1.56Å | |
| C23 | C28 | sing | 1.53Å | 1.53Å | |
| C23 | O8 | sing | 1.43Å | 1.43Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | C22 | sing | 1.54Å | 1.54Å | |
| O11 | C43 | doub | 1.22Å | 1.22Å | |
| C41 | C43 | sing | 1.53Å | 1.53Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| O9 | C22 | sing | 1.44Å | 1.44Å | |
| O8 | C22 | sing | 1.43Å | 1.43Å | |
| C43 | C44 | sing | 1.55Å | 1.55Å | |
| C22 | C21 | sing | 1.52Å | 1.52Å | |
| C46 | C44 | sing | 1.55Å | 1.55Å | |
| C46 | C47 | sing | 1.55Å | 1.55Å | |
| C46 | O13 | sing | 1.45Å | 1.45Å | |
| C49 | C50 | sing | 1.53Å | 1.53Å | |
| C49 | C47 | doub | 1.37Å | 1.37Å | |
| C44 | O12 | sing | 1.45Å | 1.45Å | |
| C12 | C11 | sing | 1.54Å | 1.54Å | |
| C50 | C51 | sing | 1.54Å | 1.54Å | |
| C50 | C52 | sing | 1.52Å | 1.52Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C21 | O7 | doub | 1.22Å | 1.22Å | |
| C21 | C20 | sing | 1.48Å | 1.48Å | |
| O6 | C20 | doub | 1.23Å | 1.23Å | |
| C53 | C52 | sing | 1.53Å | 1.53Å | |
| C53 | C13 | sing | 1.54Å | 1.54Å | |
| O4 | C13 | sing | 1.44Å | 1.44Å | |
| O4 | C14 | sing | 1.46Å | 1.46Å | |
| O12 | C45 | sing | 1.42Å | 1.42Å | |
| C20 | N | sing | 1.35Å | 1.35Å | |
| C52 | O14 | doub | 1.22Å | 1.22Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | N | sing | 1.48Å | 1.48Å | |
| C15 | C16 | sing | 1.54Å | 1.54Å | |
| C13 | C11 | sing | 1.56Å | 1.56Å | |
| C11 | C10 | sing | 1.55Å | 1.55Å | |
| C14 | O5 | doub | 1.22Å | 1.22Å | |
| C9 | O3 | sing | 1.44Å | 1.44Å | |
| N | C19 | sing | 1.46Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C10 | C6 | sing | 1.55Å | 1.55Å | |
| C5 | C6 | sing | 1.54Å | 1.54Å | |
| C5 | C4 | sing | 1.55Å | 1.55Å | |
| O3 | C4 | sing | 1.44Å | 1.44Å | |
| C6 | C7 | sing | 1.52Å | 1.52Å | |
| C19 | C18 | sing | 1.52Å | 1.52Å | |
| C4 | C3 | sing | 1.54Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.52Å | 1.52Å | |
| C3 | C8 | sing | 1.53Å | 1.53Å | |
| C3 | O2 | sing | 1.44Å | 1.44Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.52Å | 1.52Å | |
| C53 | H1 | sing | 1.10Å | 1.10Å | |
| C53 | H2 | sing | 1.10Å | 1.10Å | |
| C13 | H3 | sing | 1.10Å | 1.10Å | |
| C11 | H4 | sing | 1.10Å | 1.10Å | |
| C12 | H5 | sing | 1.10Å | 1.10Å | |
| C12 | H6 | sing | 1.10Å | 1.10Å | |
| C12 | H7 | sing | 1.10Å | 1.10Å | |
| C10 | H8 | sing | 1.10Å | 1.10Å | |
| C10 | H9 | sing | 1.10Å | 1.10Å | |
| C6 | H10 | sing | 1.10Å | 1.10Å | |
| C5 | H11 | sing | 1.10Å | 1.10Å | |
| C5 | H12 | sing | 1.10Å | 1.10Å | |
| C4 | H13 | sing | 1.10Å | 1.10Å | |
| C9 | H14 | sing | 1.10Å | 1.10Å | |
| C9 | H15 | sing | 1.10Å | 1.10Å | |
| C9 | H16 | sing | 1.10Å | 1.10Å | |
| C7 | H17 | sing | 1.10Å | 1.10Å | |
| C7 | H18 | sing | 1.10Å | 1.10Å | |
| C8 | H19 | sing | 1.10Å | 1.10Å | |
| C8 | H20 | sing | 1.10Å | 1.10Å | |
| C3 | H21 | sing | 1.10Å | 1.10Å | |
| C2 | H22 | sing | 1.10Å | 1.10Å | |
| C2 | H23 | sing | 1.10Å | 1.10Å | |
| C1 | H24 | sing | 1.10Å | 1.10Å | |
| C1 | H25 | sing | 1.10Å | 1.10Å | |
| O1 | H26 | sing | 0.95Å | 0.95Å | |
| C50 | H27 | sing | 1.10Å | 1.10Å | |
| C51 | H28 | sing | 1.10Å | 1.10Å | |
| C51 | H29 | sing | 1.10Å | 1.10Å | |
| C51 | H30 | sing | 1.10Å | 1.10Å | |
| C49 | H31 | sing | 1.08Å | 1.08Å | |
| C48 | H32 | sing | 1.10Å | 1.10Å | |
| C48 | H33 | sing | 1.10Å | 1.10Å | |
| C48 | H34 | sing | 1.10Å | 1.10Å | |
| C46 | H35 | sing | 1.10Å | 1.10Å | |
| O13 | H36 | sing | 0.95Å | 0.95Å | |
| C44 | H37 | sing | 1.10Å | 1.10Å | |
| C45 | H38 | sing | 1.10Å | 1.10Å | |
| C45 | H39 | sing | 1.10Å | 1.10Å | |
| C45 | H40 | sing | 1.10Å | 1.10Å | |
| C41 | H41 | sing | 1.10Å | 1.10Å | |
| C42 | H42 | sing | 1.10Å | 1.10Å | |
| C42 | H43 | sing | 1.10Å | 1.10Å | |
| C42 | H44 | sing | 1.10Å | 1.10Å | |
| C40 | H45 | sing | 1.10Å | 1.10Å | |
| C40 | H46 | sing | 1.10Å | 1.10Å | |
| C38 | H47 | sing | 1.10Å | 1.10Å | |
| C39 | H48 | sing | 1.10Å | 1.10Å | |
| C39 | H49 | sing | 1.10Å | 1.10Å | |
| C39 | H50 | sing | 1.10Å | 1.10Å | |
| C37 | H51 | sing | 1.08Å | 1.08Å | |
| C36 | H52 | sing | 1.08Å | 1.08Å | |
| C35 | H53 | sing | 1.08Å | 1.08Å | |
| C34 | H54 | sing | 1.08Å | 1.08Å | |
| C33 | H55 | sing | 1.08Å | 1.08Å | |
| C32 | H56 | sing | 1.10Å | 1.10Å | |
| C32 | H57 | sing | 1.10Å | 1.10Å | |
| C32 | H58 | sing | 1.10Å | 1.10Å | |
| C29 | H59 | sing | 1.10Å | 1.10Å | |
| C30 | H60 | sing | 1.10Å | 1.10Å | |
| C30 | H61 | sing | 1.10Å | 1.10Å | |
| C30 | H62 | sing | 1.10Å | 1.10Å | |
| C28 | H63 | sing | 1.10Å | 1.10Å | |
| C28 | H64 | sing | 1.10Å | 1.10Å | |
| C23 | H65 | sing | 1.10Å | 1.10Å | |
| C24 | H66 | sing | 1.10Å | 1.10Å | |
| C24 | H67 | sing | 1.10Å | 1.10Å | |
| C25 | H68 | sing | 1.10Å | 1.10Å | |
| C25 | H69 | sing | 1.10Å | 1.10Å | |
| C26 | H70 | sing | 1.10Å | 1.10Å | |
| C27 | H71 | sing | 1.10Å | 1.10Å | |
| C27 | H72 | sing | 1.10Å | 1.10Å | |
| C27 | H73 | sing | 1.10Å | 1.10Å | |
| O9 | H74 | sing | 0.95Å | 0.95Å | |
| C15 | H75 | sing | 1.10Å | 1.10Å | |
| C19 | H76 | sing | 1.10Å | 1.10Å | |
| C19 | H77 | sing | 1.10Å | 1.10Å | |
| C18 | H78 | sing | 1.10Å | 1.10Å | |
| C18 | H79 | sing | 1.10Å | 1.10Å | |
| C17 | H80 | sing | 1.10Å | 1.10Å | |
| C17 | H81 | sing | 1.10Å | 1.10Å | |
| C16 | H82 | sing | 1.10Å | 1.10Å | |
| C16 | H83 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | O10 | C29 | 114.7° | 114.7° |
| O10 | C30 | H60 | 109.5° | 109.5° |
| O10 | C30 | H61 | 109.5° | 109.5° |
| O10 | C30 | H62 | 109.5° | 109.5° |
| C39 | C38 | C37 | 107.7° | 107.7° |
| C39 | C38 | C40 | 113.9° | 113.9° |
| C39 | C38 | H47 | 108.2° | 108.2° |
| C38 | C39 | H48 | 109.5° | 109.5° |
| C38 | C39 | H49 | 109.5° | 109.5° |
| C38 | C39 | H50 | 109.5° | 109.5° |
| O10 | C29 | C31 | 105.6° | 105.6° |
| O10 | C29 | C28 | 112.0° | 112.0° |
| O10 | C29 | H59 | 110.2° | 110.2° |
| C37 | C38 | C40 | 110.6° | 110.6° |
| C38 | C37 | C36 | 127.7° | 127.7° |
| C37 | C38 | H47 | 108.5° | 108.5° |
| C38 | C37 | H51 | 116.1° | 116.1° |
| C38 | C40 | C41 | 120.5° | 120.5° |
| C38 | C40 | H45 | 106.7° | 106.6° |
| C38 | C40 | H46 | 106.6° | 106.6° |
| C40 | C38 | H47 | 107.9° | 107.9° |
| C34 | C35 | C36 | 119.0° | 119.0° |
| C35 | C34 | C33 | 118.6° | 118.6° |
| C34 | C35 | H53 | 120.5° | 120.5° |
| C35 | C34 | H54 | 120.7° | 120.7° |
| C35 | C36 | C37 | 127.3° | 127.3° |
| C35 | C36 | H52 | 116.3° | 116.3° |
| C36 | C35 | H53 | 120.5° | 120.5° |
| C34 | C33 | C31 | 125.9° | 125.9° |
| C33 | C34 | H54 | 120.7° | 120.7° |
| C34 | C33 | H55 | 117.1° | 117.1° |
| C36 | C37 | H51 | 116.2° | 116.2° |
| C37 | C36 | H52 | 116.3° | 116.3° |
| C31 | C29 | C28 | 110.6° | 110.6° |
| C29 | C31 | C33 | 123.8° | 123.8° |
| C29 | C31 | C32 | 117.8° | 117.8° |
| C31 | C29 | H59 | 109.4° | 109.4° |
| C29 | C28 | C23 | 113.7° | 113.7° |
| C28 | C29 | H59 | 108.9° | 108.9° |
| C29 | C28 | H63 | 108.4° | 108.4° |
| C29 | C28 | H64 | 108.4° | 108.4° |
| C25 | C24 | C23 | 112.2° | 112.2° |
| C24 | C25 | C26 | 109.3° | 109.3° |
| C25 | C24 | H66 | 108.8° | 108.8° |
| C25 | C24 | H67 | 108.8° | 108.8° |
| C24 | C25 | H68 | 109.5° | 109.5° |
| C24 | C25 | H69 | 109.5° | 109.5° |
| C24 | C23 | C28 | 108.8° | 108.8° |
| C24 | C23 | O8 | 112.7° | 112.7° |
| C24 | C23 | H65 | 108.9° | 108.9° |
| C23 | C24 | H66 | 108.8° | 108.8° |
| C23 | C24 | H67 | 108.8° | 108.8° |
| C25 | C26 | C27 | 111.6° | 111.6° |
| C25 | C26 | C22 | 110.0° | 110.0° |
| C26 | C25 | H68 | 109.5° | 109.5° |
| C26 | C25 | H69 | 109.5° | 109.5° |
| C25 | C26 | H70 | 107.0° | 107.0° |
| C33 | C31 | C32 | 118.4° | 118.4° |
| C31 | C33 | H55 | 117.0° | 117.0° |
| C31 | C32 | H56 | 109.5° | 109.5° |
| C31 | C32 | H57 | 109.5° | 109.5° |
| C31 | C32 | H58 | 109.5° | 109.5° |
| C40 | C41 | C43 | 114.6° | 114.6° |
| C40 | C41 | C42 | 108.9° | 108.9° |
| C40 | C41 | H41 | 108.2° | 108.2° |
| C41 | C40 | H45 | 106.6° | 106.7° |
| C41 | C40 | H46 | 106.6° | 106.6° |
| C28 | C23 | O8 | 107.1° | 107.1° |
| C23 | C28 | H63 | 108.4° | 108.4° |
| C23 | C28 | H64 | 108.4° | 108.4° |
| C28 | C23 | H65 | 108.9° | 108.9° |
| C23 | O8 | C22 | 116.2° | 116.2° |
| O8 | C23 | H65 | 110.3° | 110.3° |
| C27 | C26 | C22 | 114.2° | 114.2° |
| C27 | C26 | H70 | 106.9° | 106.9° |
| C26 | C27 | H71 | 109.5° | 109.5° |
| C26 | C27 | H72 | 109.5° | 109.5° |
| C26 | C27 | H73 | 109.5° | 109.5° |
| C26 | C22 | O9 | 111.5° | 111.5° |
| C26 | C22 | O8 | 109.4° | 109.4° |
| C26 | C22 | C21 | 109.7° | 109.7° |
| C22 | C26 | H70 | 106.8° | 106.8° |
| O11 | C43 | C41 | 114.9° | 114.9° |
| O11 | C43 | C44 | 117.5° | 117.5° |
| C43 | C41 | C42 | 107.9° | 107.9° |
| C41 | C43 | C44 | 127.6° | 127.6° |
| C43 | C41 | H41 | 108.5° | 108.5° |
| C42 | C41 | H41 | 108.5° | 108.5° |
| C41 | C42 | H42 | 109.5° | 109.5° |
| C41 | C42 | H43 | 109.5° | 109.5° |
| C41 | C42 | H44 | 109.5° | 109.5° |
| O9 | C22 | O8 | 106.6° | 106.6° |
| O9 | C22 | C21 | 108.6° | 108.6° |
| C22 | O9 | H74 | 109.5° | 109.5° |
| O8 | C22 | C21 | 111.0° | 111.0° |
| C43 | C44 | C46 | 113.4° | 113.4° |
| C43 | C44 | O12 | 110.6° | 110.6° |
| C43 | C44 | H37 | 108.8° | 108.7° |
| C22 | C21 | O7 | 118.0° | 118.0° |
| C22 | C21 | C20 | 123.0° | 123.0° |
| C44 | C46 | C47 | 117.6° | 117.6° |
| C44 | C46 | O13 | 105.9° | 105.9° |
| C46 | C44 | O12 | 105.3° | 105.3° |
| C44 | C46 | H35 | 105.9° | 105.9° |
| C46 | C44 | H37 | 108.7° | 108.7° |
| C47 | C46 | O13 | 113.8° | 113.8° |
| C46 | C47 | C49 | 117.8° | 117.8° |
| C46 | C47 | C48 | 120.1° | 120.1° |
| C47 | C46 | H35 | 105.9° | 105.9° |
| O13 | C46 | H35 | 107.1° | 107.1° |
| C46 | O13 | H36 | 109.5° | 109.5° |
| C50 | C49 | C47 | 129.8° | 129.8° |
| C49 | C50 | C51 | 105.8° | 105.8° |
| C49 | C50 | C52 | 116.9° | 116.9° |
| C49 | C50 | H27 | 108.0° | 108.0° |
| C50 | C49 | H31 | 115.1° | 115.1° |
| C49 | C47 | C48 | 122.0° | 122.0° |
| C47 | C49 | H31 | 115.1° | 115.1° |
| C44 | O12 | C45 | 117.6° | 117.6° |
| O12 | C44 | H37 | 110.2° | 110.1° |
| C12 | C11 | C13 | 113.5° | 113.5° |
| C12 | C11 | C10 | 111.5° | 111.5° |
| C12 | C11 | H4 | 106.5° | 106.5° |
| C11 | C12 | H5 | 109.5° | 109.5° |
| C11 | C12 | H6 | 109.5° | 109.5° |
| C11 | C12 | H7 | 109.5° | 109.5° |
| C51 | C50 | C52 | 109.9° | 109.9° |
| C51 | C50 | H27 | 107.8° | 107.8° |
| C50 | C51 | H28 | 109.5° | 109.5° |
| C50 | C51 | H29 | 109.5° | 109.5° |
| C50 | C51 | H30 | 109.5° | 109.5° |
| C50 | C52 | C53 | 121.1° | 121.1° |
| C50 | C52 | O14 | 118.4° | 118.4° |
| C52 | C50 | H27 | 108.1° | 108.1° |
| C47 | C48 | H32 | 109.5° | 109.5° |
| C47 | C48 | H33 | 109.5° | 109.5° |
| C47 | C48 | H34 | 109.4° | 109.4° |
| O7 | C21 | C20 | 119.0° | 119.0° |
| C21 | C20 | O6 | 118.7° | 118.7° |
| C21 | C20 | N | 120.7° | 120.7° |
| O6 | C20 | N | 120.5° | 120.5° |
| C52 | C53 | C13 | 114.3° | 114.3° |
| C53 | C52 | O14 | 120.5° | 120.5° |
| C52 | C53 | H1 | 108.3° | 108.3° |
| C52 | C53 | H2 | 108.2° | 108.2° |
| C53 | C13 | O4 | 108.5° | 108.5° |
| C53 | C13 | C11 | 113.8° | 113.8° |
| C13 | C53 | H1 | 108.2° | 108.2° |
| C13 | C53 | H2 | 108.3° | 108.3° |
| C53 | C13 | H3 | 106.9° | 107.0° |
| C13 | O4 | C14 | 115.2° | 115.2° |
| O4 | C13 | C11 | 112.2° | 112.2° |
| O4 | C13 | H3 | 108.3° | 108.2° |
| O4 | C14 | C15 | 120.6° | 120.6° |
| O4 | C14 | O5 | 119.3° | 119.3° |
| O12 | C45 | H38 | 109.5° | 109.5° |
| O12 | C45 | H39 | 109.5° | 109.5° |
| O12 | C45 | H40 | 109.4° | 109.5° |
| C20 | N | C15 | 121.3° | 121.3° |
| C20 | N | C19 | 125.8° | 125.8° |
| C14 | C15 | N | 115.6° | 115.6° |
| C14 | C15 | C16 | 111.8° | 111.8° |
| C15 | C14 | O5 | 120.1° | 120.1° |
| C14 | C15 | H75 | 107.2° | 107.2° |
| N | C15 | C16 | 107.3° | 107.3° |
| C15 | N | C19 | 112.7° | 112.7° |
| N | C15 | H75 | 107.7° | 107.7° |
| C15 | C16 | C17 | 116.6° | 116.6° |
| C16 | C15 | H75 | 106.9° | 106.9° |
| C15 | C16 | H82 | 107.7° | 107.7° |
| C15 | C16 | H83 | 107.7° | 107.7° |
| C13 | C11 | C10 | 112.2° | 112.2° |
| C11 | C13 | H3 | 106.8° | 106.8° |
| C13 | C11 | H4 | 106.2° | 106.2° |
| C11 | C10 | C6 | 116.4° | 116.4° |
| C10 | C11 | H4 | 106.4° | 106.4° |
| C11 | C10 | H8 | 107.7° | 107.7° |
| C11 | C10 | H9 | 107.7° | 107.7° |
| C9 | O3 | C4 | 115.1° | 115.1° |
| O3 | C9 | H14 | 109.5° | 109.5° |
| O3 | C9 | H15 | 109.5° | 109.5° |
| O3 | C9 | H16 | 109.5° | 109.5° |
| N | C19 | C18 | 102.8° | 102.8° |
| N | C19 | H76 | 111.1° | 111.1° |
| N | C19 | H77 | 111.1° | 111.1° |
| C16 | C17 | C18 | 114.7° | 114.7° |
| C16 | C17 | H80 | 108.2° | 108.2° |
| C16 | C17 | H81 | 108.1° | 108.1° |
| C17 | C16 | H82 | 107.7° | 107.7° |
| C17 | C16 | H83 | 107.6° | 107.6° |
| C10 | C6 | C5 | 112.3° | 112.3° |
| C10 | C6 | C7 | 109.1° | 109.1° |
| C6 | C10 | H8 | 107.7° | 107.7° |
| C6 | C10 | H9 | 107.7° | 107.7° |
| C10 | C6 | H10 | 109.0° | 109.0° |
| C6 | C5 | C4 | 118.3° | 118.3° |
| C5 | C6 | C7 | 108.1° | 108.1° |
| C5 | C6 | H10 | 109.0° | 109.0° |
| C6 | C5 | H11 | 107.2° | 107.2° |
| C6 | C5 | H12 | 107.2° | 107.2° |
| C5 | C4 | O3 | 111.2° | 111.2° |
| C5 | C4 | C3 | 114.3° | 114.3° |
| C4 | C5 | H11 | 107.2° | 107.2° |
| C4 | C5 | H12 | 107.3° | 107.2° |
| C5 | C4 | H13 | 106.3° | 106.3° |
| O3 | C4 | C3 | 110.7° | 110.7° |
| O3 | C4 | H13 | 107.6° | 107.6° |
| C6 | C7 | C8 | 110.8° | 110.8° |
| C7 | C6 | H10 | 109.2° | 109.2° |
| C6 | C7 | H17 | 109.1° | 109.1° |
| C6 | C7 | H18 | 109.1° | 109.1° |
| C19 | C18 | C17 | 111.3° | 111.3° |
| C18 | C19 | H76 | 111.1° | 111.1° |
| C18 | C19 | H77 | 111.1° | 111.1° |
| C19 | C18 | H78 | 109.0° | 109.0° |
| C19 | C18 | H79 | 109.0° | 109.0° |
| C4 | C3 | C8 | 111.7° | 111.7° |
| C4 | C3 | O2 | 111.0° | 111.0° |
| C3 | C4 | H13 | 106.3° | 106.3° |
| C4 | C3 | H21 | 107.5° | 107.5° |
| C17 | C18 | H78 | 109.0° | 109.0° |
| C17 | C18 | H79 | 109.0° | 109.0° |
| C18 | C17 | H80 | 108.2° | 108.2° |
| C18 | C17 | H81 | 108.2° | 108.2° |
| O1 | C1 | C2 | 106.5° | 106.5° |
| O1 | C1 | H24 | 110.2° | 110.2° |
| O1 | C1 | H25 | 110.2° | 110.2° |
| C1 | O1 | H26 | 109.5° | 109.5° |
| C7 | C8 | C3 | 109.5° | 109.5° |
| C8 | C7 | H17 | 109.1° | 109.1° |
| C8 | C7 | H18 | 109.1° | 109.1° |
| C7 | C8 | H19 | 109.5° | 109.5° |
| C7 | C8 | H20 | 109.5° | 109.4° |
| C8 | C3 | O2 | 110.3° | 110.3° |
| C3 | C8 | H19 | 109.5° | 109.5° |
| C3 | C8 | H20 | 109.5° | 109.5° |
| C8 | C3 | H21 | 107.6° | 107.6° |
| C3 | O2 | C2 | 113.7° | 113.7° |
| O2 | C3 | H21 | 108.7° | 108.7° |
| O2 | C2 | C1 | 108.5° | 108.5° |
| O2 | C2 | H22 | 109.7° | 109.7° |
| O2 | C2 | H23 | 109.7° | 109.7° |
| C1 | C2 | H22 | 109.7° | 109.7° |
| C1 | C2 | H23 | 109.7° | 109.7° |
| C2 | C1 | H24 | 110.2° | 110.2° |
| C2 | C1 | H25 | 110.2° | 110.2° |
| H1 | C53 | H2 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H5 | C12 | H7 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.4° | 109.4° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H11 | C5 | H12 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| H14 | C9 | H16 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.4° | 109.4° |
| H17 | C7 | H18 | 109.5° | 109.5° |
| H19 | C8 | H20 | 109.5° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| H24 | C1 | H25 | 109.5° | 109.5° |
| H28 | C51 | H29 | 109.5° | 109.5° |
| H28 | C51 | H30 | 109.4° | 109.4° |
| H29 | C51 | H30 | 109.5° | 109.5° |
| H32 | C48 | H33 | 109.5° | 109.5° |
| H32 | C48 | H34 | 109.4° | 109.4° |
| H33 | C48 | H34 | 109.5° | 109.5° |
| H38 | C45 | H39 | 109.5° | 109.5° |
| H38 | C45 | H40 | 109.5° | 109.5° |
| H39 | C45 | H40 | 109.5° | 109.4° |
| H42 | C42 | H43 | 109.5° | 109.5° |
| H42 | C42 | H44 | 109.5° | 109.5° |
| H43 | C42 | H44 | 109.5° | 109.5° |
| H45 | C40 | H46 | 109.5° | 109.5° |
| H48 | C39 | H49 | 109.4° | 109.4° |
| H48 | C39 | H50 | 109.4° | 109.4° |
| H49 | C39 | H50 | 109.5° | 109.5° |
| H56 | C32 | H57 | 109.5° | 109.5° |
| H56 | C32 | H58 | 109.4° | 109.4° |
| H57 | C32 | H58 | 109.5° | 109.5° |
| H60 | C30 | H61 | 109.4° | 109.5° |
| H60 | C30 | H62 | 109.4° | 109.5° |
| H61 | C30 | H62 | 109.5° | 109.5° |
| H63 | C28 | H64 | 109.5° | 109.5° |
| H66 | C24 | H67 | 109.4° | 109.4° |
| H68 | C25 | H69 | 109.5° | 109.5° |
| H71 | C27 | H72 | 109.4° | 109.5° |
| H71 | C27 | H73 | 109.5° | 109.5° |
| H72 | C27 | H73 | 109.5° | 109.4° |
| H76 | C19 | H77 | 109.5° | 109.5° |
| H78 | C18 | H79 | 109.5° | 109.5° |
| H80 | C17 | H81 | 109.5° | 109.5° |
| H82 | C16 | H83 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | O10 | C29 | C31 | 84.7° | 84.7° |
| C30 | O10 | C29 | C28 | 154.7° | 154.7° |
| C30 | O10 | C29 | H59 | 33.3° | 33.3° |
| O10 | C30 | H60 | H61 | 120.0° | 120.0° |
| O10 | C30 | H60 | H62 | 120.0° | 120.0° |
| O10 | C30 | H61 | H62 | 120.0° | 120.0° |
| C39 | C38 | C37 | C40 | 125.0° | 125.0° |
| C39 | C38 | C37 | H47 | 116.9° | 116.9° |
| C39 | C38 | C40 | H47 | 120.1° | 120.1° |
| C39 | C38 | C37 | C36 | 124.4° | 124.4° |
| C39 | C38 | C40 | C41 | 138.3° | 138.3° |
| C39 | C38 | C40 | H45 | 100.2° | 100.1° |
| C39 | C38 | C40 | H46 | 16.8° | 16.8° |
| C38 | C39 | H48 | H49 | 120.0° | 120.0° |
| C38 | C39 | H48 | H50 | 120.0° | 120.0° |
| C38 | C39 | H49 | H50 | 120.0° | 120.0° |
| C39 | C38 | C37 | H51 | 55.6° | 55.6° |
| O10 | C29 | C31 | C28 | 121.4° | 121.4° |
| O10 | C29 | C31 | H59 | 118.6° | 118.6° |
| O10 | C29 | C28 | H59 | 122.2° | 122.2° |
| O10 | C29 | C31 | C33 | 127.0° | 127.0° |
| O10 | C29 | C31 | C32 | 52.0° | 52.0° |
| O10 | C29 | C28 | C23 | 11.6° | 11.6° |
| C29 | O10 | C30 | H60 | 180.0° | 180.0° |
| C29 | O10 | C30 | H61 | 60.0° | 60.0° |
| C29 | O10 | C30 | H62 | 60.0° | 60.0° |
| O10 | C29 | C28 | H63 | 132.3° | 132.3° |
| O10 | C29 | C28 | H64 | 109.0° | 109.0° |
| C37 | C38 | C40 | H47 | 118.5° | 118.5° |
| C38 | C37 | C36 | C35 | 1.3° | 1.3° |
| C38 | C37 | C36 | H51 | 180.0° | 180.0° |
| C37 | C38 | C40 | C41 | 16.9° | 16.9° |
| C37 | C38 | C40 | H45 | 138.5° | 138.5° |
| C37 | C38 | C40 | H46 | 104.6° | 104.6° |
| C37 | C38 | C39 | H48 | 180.0° | 180.0° |
| C37 | C38 | C39 | H49 | 60.0° | 60.0° |
| C37 | C38 | C39 | H50 | 60.0° | 60.0° |
| C38 | C37 | C36 | H52 | 178.7° | 178.7° |
| C40 | C38 | C37 | C36 | 110.6° | 110.6° |
| C38 | C40 | C41 | H45 | 121.6° | 121.5° |
| C38 | C40 | C41 | H46 | 121.5° | 121.5° |
| C38 | C40 | C41 | C43 | 75.5° | 75.5° |
| C38 | C40 | C41 | C42 | 163.6° | 163.6° |
| C38 | C40 | C41 | H41 | 45.8° | 45.8° |
| C38 | C40 | H45 | H46 | 115.0° | 115.0° |
| C40 | C38 | C39 | H48 | 57.0° | 57.0° |
| C40 | C38 | C39 | H49 | 177.0° | 177.0° |
| C40 | C38 | C39 | H50 | 62.9° | 62.9° |
| C40 | C38 | C37 | H51 | 69.4° | 69.4° |
| C34 | C35 | C36 | H53 | 180.0° | 180.0° |
| C35 | C34 | C33 | H54 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 178.9° | 178.9° |
| C35 | C34 | C33 | C31 | 175.1° | 175.1° |
| C34 | C35 | C36 | H52 | 1.1° | 1.1° |
| C35 | C34 | C33 | H55 | 4.9° | 4.9° |
| C36 | C35 | C34 | C33 | 1.4° | 1.4° |
| C35 | C36 | C37 | H52 | 180.0° | 180.0° |
| C35 | C36 | C37 | H51 | 178.8° | 178.8° |
| C36 | C35 | C34 | H54 | 178.6° | 178.6° |
| C34 | C33 | C31 | C29 | 0.5° | 0.5° |
| C34 | C33 | C31 | H55 | 180.0° | 180.0° |
| C34 | C33 | C31 | C32 | 178.6° | 178.6° |
| C33 | C34 | C35 | H53 | 178.6° | 178.6° |
| C36 | C37 | C38 | H47 | 7.5° | 7.5° |
| C37 | C36 | C35 | H53 | 1.1° | 1.1° |
| C31 | C29 | C28 | H59 | 120.2° | 120.2° |
| C29 | C31 | C33 | C32 | 179.0° | 179.0° |
| C31 | C29 | C28 | C23 | 129.2° | 129.2° |
| C29 | C31 | C33 | H55 | 179.5° | 179.5° |
| C29 | C31 | C32 | H56 | 180.0° | 180.0° |
| C29 | C31 | C32 | H57 | 60.0° | 60.0° |
| C29 | C31 | C32 | H58 | 60.0° | 60.0° |
| C31 | C29 | C28 | H63 | 110.2° | 110.2° |
| C31 | C29 | C28 | H64 | 8.5° | 8.5° |
| C29 | C28 | C23 | C24 | 69.1° | 69.1° |
| C28 | C29 | C31 | C33 | 111.6° | 111.6° |
| C28 | C29 | C31 | C32 | 69.4° | 69.4° |
| C29 | C28 | C23 | H63 | 120.6° | 120.6° |
| C29 | C28 | C23 | H64 | 120.6° | 120.6° |
| C29 | C28 | C23 | O8 | 168.8° | 168.8° |
| C29 | C28 | H63 | H64 | 118.1° | 118.1° |
| C29 | C28 | C23 | H65 | 49.5° | 49.5° |
| C25 | C24 | C23 | H66 | 120.4° | 120.4° |
| C25 | C24 | C23 | H67 | 120.4° | 120.4° |
| C24 | C25 | C26 | H68 | 120.0° | 120.0° |
| C24 | C25 | C26 | H69 | 120.0° | 120.0° |
| C25 | C24 | C23 | C28 | 166.8° | 166.8° |
| C25 | C24 | C23 | O8 | 48.1° | 48.1° |
| C24 | C25 | C26 | C27 | 174.6° | 174.6° |
| C24 | C25 | C26 | C22 | 57.6° | 57.6° |
| C25 | C24 | C23 | H65 | 74.6° | 74.6° |
| C25 | C24 | H66 | H67 | 118.8° | 118.8° |
| C24 | C25 | H68 | H69 | 120.1° | 120.1° |
| C24 | C25 | C26 | H70 | 57.9° | 57.9° |
| C23 | C24 | C25 | C26 | 52.2° | 52.2° |
| C24 | C23 | C28 | O8 | 122.1° | 122.1° |
| C24 | C23 | C28 | H65 | 118.6° | 118.6° |
| C24 | C23 | O8 | H65 | 121.9° | 121.9° |
| C24 | C23 | O8 | C22 | 51.2° | 51.2° |
| C24 | C23 | C28 | H63 | 51.5° | 51.5° |
| C24 | C23 | C28 | H64 | 170.3° | 170.3° |
| C23 | C24 | H66 | H67 | 118.7° | 118.7° |
| C23 | C24 | C25 | H68 | 67.8° | 67.8° |
| C23 | C24 | C25 | H69 | 172.2° | 172.2° |
| C25 | C26 | C27 | C22 | 125.5° | 125.5° |
| C25 | C26 | C27 | H70 | 116.7° | 116.7° |
| C25 | C26 | C22 | H70 | 115.7° | 115.7° |
| C25 | C26 | C22 | O9 | 59.0° | 59.0° |
| C25 | C26 | C22 | O8 | 58.7° | 58.7° |
| C25 | C26 | C22 | C21 | 179.3° | 179.3° |
| C26 | C25 | C24 | H66 | 68.2° | 68.2° |
| C26 | C25 | C24 | H67 | 172.6° | 172.6° |
| C26 | C25 | H68 | H69 | 120.1° | 120.1° |
| C25 | C26 | C27 | H71 | 180.0° | 180.0° |
| C25 | C26 | C27 | H72 | 60.0° | 60.0° |
| C25 | C26 | C27 | H73 | 60.0° | 60.0° |
| C31 | C33 | C34 | H54 | 4.9° | 4.9° |
| C33 | C31 | C32 | H56 | 0.9° | 0.9° |
| C33 | C31 | C32 | H57 | 119.1° | 119.1° |
| C33 | C31 | C32 | H58 | 120.9° | 120.9° |
| C33 | C31 | C29 | H59 | 8.4° | 8.4° |
| C32 | C31 | C33 | H55 | 1.4° | 1.4° |
| C31 | C32 | H56 | H57 | 120.0° | 120.0° |
| C31 | C32 | H56 | H58 | 120.0° | 120.0° |
| C31 | C32 | H57 | H58 | 120.0° | 120.0° |
| C32 | C31 | C29 | H59 | 170.7° | 170.7° |
| C40 | C41 | C43 | O11 | 9.5° | 9.5° |
| C40 | C41 | C43 | C42 | 121.5° | 121.5° |
| C40 | C41 | C43 | H41 | 121.0° | 121.0° |
| C40 | C41 | C42 | H41 | 117.6° | 117.6° |
| C40 | C41 | C43 | C44 | 171.4° | 171.4° |
| C40 | C41 | C42 | H42 | 180.0° | 180.0° |
| C40 | C41 | C42 | H43 | 60.0° | 60.0° |
| C40 | C41 | C42 | H44 | 60.0° | 60.0° |
| C41 | C40 | H45 | H46 | 115.0° | 115.0° |
| C41 | C40 | C38 | H47 | 101.6° | 101.6° |
| C28 | C23 | O8 | H65 | 118.4° | 118.4° |
| C28 | C23 | O8 | C22 | 170.9° | 170.9° |
| C23 | C28 | C29 | H59 | 110.6° | 110.6° |
| C23 | C28 | H63 | H64 | 118.1° | 118.1° |
| C28 | C23 | C24 | H66 | 46.4° | 46.4° |
| C28 | C23 | C24 | H67 | 72.8° | 72.8° |
| C23 | O8 | C22 | C26 | 56.2° | 56.2° |
| C23 | O8 | C22 | O9 | 64.5° | 64.5° |
| C23 | O8 | C22 | C21 | 177.4° | 177.4° |
| O8 | C23 | C28 | H63 | 70.6° | 70.6° |
| O8 | C23 | C28 | H64 | 48.2° | 48.2° |
| O8 | C23 | C24 | H66 | 72.3° | 72.3° |
| O8 | C23 | C24 | H67 | 168.5° | 168.5° |
| C27 | C26 | C22 | H70 | 117.9° | 117.9° |
| C27 | C26 | C22 | O9 | 67.4° | 67.4° |
| C27 | C26 | C22 | O8 | 174.9° | 174.9° |
| C27 | C26 | C22 | C21 | 52.9° | 52.9° |
| C27 | C26 | C25 | H68 | 65.5° | 65.4° |
| C27 | C26 | C25 | H69 | 54.6° | 54.6° |
| C26 | C27 | H71 | H72 | 120.0° | 120.0° |
| C26 | C27 | H71 | H73 | 120.0° | 120.0° |
| C26 | C27 | H72 | H73 | 120.0° | 120.0° |
| C26 | C22 | O9 | O8 | 119.4° | 119.4° |
| C26 | C22 | O9 | C21 | 121.0° | 121.0° |
| C26 | C22 | O8 | C21 | 121.2° | 121.2° |
| C26 | C22 | C21 | O7 | 120.0° | 120.0° |
| C26 | C22 | C21 | C20 | 57.8° | 57.8° |
| C22 | C26 | C25 | H68 | 62.3° | 62.4° |
| C22 | C26 | C25 | H69 | 177.6° | 177.6° |
| C22 | C26 | C27 | H71 | 54.5° | 54.5° |
| C22 | C26 | C27 | H72 | 65.5° | 65.5° |
| C22 | C26 | C27 | H73 | 174.5° | 174.5° |
| C26 | C22 | O9 | H74 | 120.0° | 120.0° |
| O11 | C43 | C41 | C44 | 179.1° | 179.1° |
| O11 | C43 | C41 | C42 | 112.1° | 112.1° |
| O11 | C43 | C44 | C46 | 71.2° | 71.2° |
| O11 | C43 | C44 | O12 | 46.7° | 46.7° |
| O11 | C43 | C44 | H37 | 167.8° | 167.8° |
| O11 | C43 | C41 | H41 | 130.5° | 130.5° |
| C43 | C41 | C42 | H41 | 117.4° | 117.4° |
| C41 | C43 | C44 | C46 | 109.7° | 109.7° |
| C41 | C43 | C44 | O12 | 132.4° | 132.4° |
| C41 | C43 | C44 | H37 | 11.3° | 11.3° |
| C43 | C41 | C42 | H42 | 55.0° | 55.0° |
| C43 | C41 | C42 | H43 | 175.0° | 175.0° |
| C43 | C41 | C42 | H44 | 65.0° | 65.0° |
| C43 | C41 | C40 | H45 | 163.0° | 163.0° |
| C43 | C41 | C40 | H46 | 46.1° | 46.1° |
| C42 | C41 | C43 | C44 | 67.1° | 67.1° |
| C41 | C42 | H42 | H43 | 120.0° | 120.0° |
| C41 | C42 | H42 | H44 | 120.0° | 120.0° |
| C41 | C42 | H43 | H44 | 120.0° | 120.0° |
| C42 | C41 | C40 | H45 | 42.0° | 42.0° |
| C42 | C41 | C40 | H46 | 74.9° | 74.9° |
| O9 | C22 | O8 | C21 | 118.1° | 118.1° |
| O9 | C22 | C21 | O7 | 2.1° | 2.1° |
| O9 | C22 | C21 | C20 | 179.9° | 179.9° |
| O9 | C22 | C26 | H70 | 174.7° | 174.7° |
| O8 | C22 | C21 | O7 | 119.0° | 119.0° |
| O8 | C22 | C21 | C20 | 63.3° | 63.3° |
| C22 | O8 | C23 | H65 | 70.7° | 70.7° |
| O8 | C22 | C26 | H70 | 57.0° | 57.0° |
| O8 | C22 | O9 | H74 | 120.7° | 120.7° |
| C43 | C44 | C46 | O12 | 121.0° | 121.0° |
| C43 | C44 | C46 | H37 | 121.0° | 121.0° |
| C43 | C44 | C46 | C47 | 101.2° | 101.2° |
| C43 | C44 | C46 | O13 | 130.3° | 130.3° |
| C43 | C44 | O12 | H37 | 120.2° | 120.2° |
| C43 | C44 | O12 | C45 | 158.8° | 158.8° |
| C43 | C44 | C46 | H35 | 16.9° | 16.9° |
| C44 | C43 | C41 | H41 | 50.4° | 50.4° |
| C22 | C21 | O7 | C20 | 177.8° | 177.8° |
| C22 | C21 | C20 | O6 | 80.3° | 80.3° |
| C22 | C21 | C20 | N | 100.9° | 100.9° |
| C21 | C22 | C26 | H70 | 65.0° | 65.0° |
| C21 | C22 | O9 | H74 | 1.0° | 1.0° |
| C44 | C46 | C47 | O13 | 124.5° | 124.5° |
| C44 | C46 | C47 | H35 | 118.1° | 118.1° |
| C44 | C46 | O13 | H35 | 112.7° | 112.7° |
| C44 | C46 | C47 | C49 | 28.8° | 28.8° |
| C46 | C44 | O12 | H37 | 117.0° | 117.0° |
| C44 | C46 | C47 | C48 | 153.9° | 153.9° |
| C46 | C44 | O12 | C45 | 78.4° | 78.4° |
| C44 | C46 | O13 | H36 | 180.0° | 180.0° |
| C47 | C46 | O13 | H35 | 116.7° | 116.7° |
| C46 | C47 | C49 | C50 | 178.8° | 178.8° |
| C46 | C47 | C49 | C48 | 177.2° | 177.2° |
| C47 | C46 | C44 | O12 | 137.8° | 137.8° |
| C46 | C47 | C49 | H31 | 1.2° | 1.2° |
| C46 | C47 | C48 | H32 | 180.0° | 180.0° |
| C46 | C47 | C48 | H33 | 60.0° | 60.0° |
| C46 | C47 | C48 | H34 | 60.0° | 60.0° |
| C47 | C46 | O13 | H36 | 49.4° | 49.4° |
| C47 | C46 | C44 | H37 | 19.8° | 19.8° |
| O13 | C46 | C47 | C49 | 153.3° | 153.3° |
| O13 | C46 | C44 | O12 | 9.4° | 9.4° |
| O13 | C46 | C47 | C48 | 29.4° | 29.4° |
| O13 | C46 | C44 | H37 | 108.6° | 108.6° |
| C50 | C49 | C47 | H31 | 180.0° | 180.0° |
| C49 | C50 | C51 | C52 | 127.0° | 127.0° |
| C49 | C50 | C51 | H27 | 115.4° | 115.4° |
| C49 | C50 | C52 | H27 | 122.0° | 122.0° |
| C50 | C49 | C47 | C48 | 1.5° | 1.5° |
| C49 | C50 | C52 | C53 | 108.4° | 108.4° |
| C49 | C50 | C52 | O14 | 71.5° | 71.5° |
| C49 | C50 | C51 | H28 | 180.0° | 180.0° |
| C49 | C50 | C51 | H29 | 60.0° | 60.0° |
| C49 | C50 | C51 | H30 | 60.0° | 60.0° |
| C47 | C49 | C50 | C51 | 152.5° | 152.5° |
| C47 | C49 | C50 | C52 | 29.8° | 29.8° |
| C47 | C49 | C50 | H27 | 92.3° | 92.3° |
| C49 | C47 | C48 | H32 | 2.8° | 2.8° |
| C49 | C47 | C48 | H33 | 122.8° | 122.8° |
| C49 | C47 | C48 | H34 | 117.2° | 117.2° |
| C49 | C47 | C46 | H35 | 89.3° | 89.3° |
| O12 | C44 | C46 | H35 | 104.1° | 104.1° |
| C44 | O12 | C45 | H38 | 180.0° | 180.0° |
| C44 | O12 | C45 | H39 | 60.0° | 60.0° |
| C44 | O12 | C45 | H40 | 60.0° | 60.0° |
| C12 | C11 | C13 | C53 | 66.7° | 66.7° |
| C12 | C11 | C13 | O4 | 57.1° | 57.1° |
| C12 | C11 | C13 | C10 | 127.5° | 127.5° |
| C12 | C11 | C13 | H4 | 116.7° | 116.7° |
| C12 | C11 | C10 | H4 | 115.7° | 115.7° |
| C12 | C11 | C10 | C6 | 74.8° | 74.8° |
| C12 | C11 | C13 | H3 | 175.5° | 175.5° |
| C11 | C12 | H5 | H6 | 120.0° | 120.0° |
| C11 | C12 | H5 | H7 | 120.0° | 120.0° |
| C11 | C12 | H6 | H7 | 120.0° | 120.0° |
| C12 | C11 | C10 | H8 | 46.2° | 46.2° |
| C12 | C11 | C10 | H9 | 164.2° | 164.2° |
| C51 | C50 | C52 | H27 | 117.4° | 117.4° |
| C51 | C50 | C52 | C53 | 131.1° | 131.1° |
| C51 | C50 | C52 | O14 | 49.1° | 49.1° |
| C50 | C51 | H28 | H29 | 120.0° | 120.0° |
| C50 | C51 | H28 | H30 | 120.0° | 120.0° |
| C50 | C51 | H29 | H30 | 120.0° | 120.0° |
| C51 | C50 | C49 | H31 | 27.5° | 27.5° |
| C50 | C52 | C53 | O14 | 179.9° | 179.9° |
| C50 | C52 | C53 | C13 | 128.5° | 128.5° |
| C50 | C52 | C53 | H1 | 110.8° | 110.8° |
| C50 | C52 | C53 | H2 | 7.8° | 7.8° |
| C52 | C50 | C51 | H28 | 53.0° | 53.0° |
| C52 | C50 | C51 | H29 | 173.0° | 173.0° |
| C52 | C50 | C51 | H30 | 67.0° | 67.0° |
| C52 | C50 | C49 | H31 | 150.2° | 150.2° |
| C48 | C47 | C49 | H31 | 178.5° | 178.5° |
| C47 | C48 | H32 | H33 | 120.0° | 120.0° |
| C47 | C48 | H32 | H34 | 120.0° | 120.0° |
| C47 | C48 | H33 | H34 | 120.0° | 120.0° |
| C48 | C47 | C46 | H35 | 88.0° | 88.0° |
| O7 | C21 | C20 | O6 | 97.4° | 97.4° |
| O7 | C21 | C20 | N | 81.3° | 81.3° |
| C21 | C20 | O6 | N | 178.8° | 178.8° |
| C21 | C20 | N | C15 | 99.1° | 99.1° |
| C21 | C20 | N | C19 | 85.6° | 85.6° |
| O6 | C20 | N | C15 | 82.1° | 82.1° |
| O6 | C20 | N | C19 | 93.2° | 93.2° |
| C52 | C53 | C13 | H1 | 120.7° | 120.7° |
| C52 | C53 | C13 | H2 | 120.7° | 120.7° |
| C52 | C53 | C13 | O4 | 76.9° | 76.9° |
| C52 | C53 | C13 | C11 | 157.3° | 157.3° |
| C52 | C53 | H1 | H2 | 117.8° | 117.8° |
| C52 | C53 | C13 | H3 | 39.6° | 39.7° |
| C53 | C52 | C50 | H27 | 13.6° | 13.6° |
| C53 | C13 | O4 | C11 | 126.6° | 126.6° |
| C53 | C13 | O4 | H3 | 115.7° | 115.8° |
| C53 | C13 | O4 | C14 | 122.1° | 122.1° |
| C13 | C53 | C52 | O14 | 51.6° | 51.6° |
| C53 | C13 | C11 | H3 | 117.8° | 117.8° |
| C53 | C13 | C11 | C10 | 165.8° | 165.8° |
| C13 | C53 | H1 | H2 | 117.8° | 117.8° |
| C53 | C13 | C11 | H4 | 50.0° | 50.0° |
| C13 | O4 | C14 | C15 | 141.0° | 141.0° |
| O4 | C13 | C11 | H3 | 118.5° | 118.5° |
| O4 | C13 | C11 | C10 | 70.5° | 70.5° |
| C13 | O4 | C14 | O5 | 40.3° | 40.3° |
| O4 | C13 | C53 | H1 | 162.3° | 162.3° |
| O4 | C13 | C53 | H2 | 43.8° | 43.8° |
| O4 | C13 | C11 | H4 | 173.7° | 173.7° |
| O4 | C14 | C15 | O5 | 178.6° | 178.6° |
| O4 | C14 | C15 | N | 71.8° | 71.8° |
| O4 | C14 | C15 | C16 | 165.1° | 165.1° |
| C14 | O4 | C13 | C11 | 111.3° | 111.3° |
| C14 | O4 | C13 | H3 | 6.4° | 6.3° |
| O4 | C14 | C15 | H75 | 48.3° | 48.3° |
| C45 | O12 | C44 | H37 | 38.6° | 38.6° |
| O12 | C45 | H38 | H39 | 120.0° | 120.0° |
| O12 | C45 | H38 | H40 | 119.9° | 120.0° |
| O12 | C45 | H39 | H40 | 120.0° | 120.0° |
| C20 | N | C15 | C14 | 121.9° | 121.9° |
| C20 | N | C15 | C19 | 175.9° | 175.9° |
| C20 | N | C15 | C16 | 112.6° | 112.6° |
| C20 | N | C19 | C18 | 99.2° | 99.2° |
| C20 | N | C15 | H75 | 2.1° | 2.1° |
| C20 | N | C19 | H76 | 141.9° | 141.9° |
| C20 | N | C19 | H77 | 19.7° | 19.7° |
| O14 | C52 | C53 | H1 | 69.1° | 69.1° |
| O14 | C52 | C53 | H2 | 172.3° | 172.3° |
| O14 | C52 | C50 | H27 | 166.5° | 166.5° |
| C14 | C15 | N | C16 | 125.5° | 125.5° |
| C14 | C15 | N | H75 | 119.8° | 119.8° |
| C14 | C15 | C16 | H75 | 117.0° | 117.0° |
| C14 | C15 | N | C19 | 62.3° | 62.3° |
| C14 | C15 | C16 | C17 | 90.1° | 90.1° |
| C14 | C15 | C16 | H82 | 148.9° | 148.9° |
| C14 | C15 | C16 | H83 | 31.0° | 31.0° |
| N | C15 | C16 | H75 | 115.3° | 115.3° |
| N | C15 | C14 | O5 | 109.6° | 109.6° |
| N | C15 | C16 | C17 | 37.7° | 37.7° |
| C15 | N | C19 | C18 | 76.5° | 76.5° |
| C15 | N | C19 | H76 | 42.5° | 42.5° |
| C15 | N | C19 | H77 | 164.6° | 164.6° |
| N | C15 | C16 | H82 | 83.3° | 83.3° |
| N | C15 | C16 | H83 | 158.7° | 158.7° |
| C16 | C15 | C14 | O5 | 13.5° | 13.5° |
| C16 | C15 | N | C19 | 63.3° | 63.3° |
| C15 | C16 | C17 | H82 | 121.0° | 121.0° |
| C15 | C16 | C17 | H83 | 121.0° | 121.0° |
| C15 | C16 | C17 | C18 | 30.8° | 30.8° |
| C15 | C16 | C17 | H80 | 151.5° | 151.5° |
| C15 | C16 | C17 | H81 | 90.0° | 90.0° |
| C15 | C16 | H82 | H83 | 116.8° | 116.8° |
| C13 | C11 | C10 | H4 | 115.7° | 115.7° |
| C13 | C11 | C10 | C6 | 156.6° | 156.6° |
| C11 | C13 | C53 | H1 | 36.6° | 36.6° |
| C11 | C13 | C53 | H2 | 82.0° | 82.0° |
| C13 | C11 | C12 | H5 | 180.0° | 180.0° |
| C13 | C11 | C12 | H6 | 60.0° | 60.0° |
| C13 | C11 | C12 | H7 | 60.0° | 60.0° |
| C13 | C11 | C10 | H8 | 82.4° | 82.4° |
| C13 | C11 | C10 | H9 | 35.6° | 35.6° |
| C11 | C10 | C6 | H8 | 121.0° | 121.0° |
| C11 | C10 | C6 | H9 | 121.0° | 121.0° |
| C11 | C10 | C6 | C5 | 124.6° | 124.6° |
| C11 | C10 | C6 | C7 | 115.5° | 115.5° |
| C10 | C11 | C13 | H3 | 48.0° | 48.0° |
| C10 | C11 | C12 | H5 | 52.1° | 52.1° |
| C10 | C11 | C12 | H6 | 172.1° | 172.1° |
| C10 | C11 | C12 | H7 | 67.9° | 67.9° |
| C11 | C10 | H8 | H9 | 116.9° | 116.8° |
| C11 | C10 | C6 | H10 | 3.7° | 3.7° |
| O5 | C14 | C15 | H75 | 130.3° | 130.3° |
| C9 | O3 | C4 | C5 | 76.8° | 76.8° |
| C9 | O3 | C4 | C3 | 155.0° | 155.0° |
| C9 | O3 | C4 | H13 | 39.2° | 39.2° |
| O3 | C9 | H14 | H15 | 120.0° | 120.0° |
| O3 | C9 | H14 | H16 | 120.0° | 120.0° |
| O3 | C9 | H15 | H16 | 120.0° | 120.0° |
| N | C19 | C18 | H76 | 118.9° | 118.9° |
| N | C19 | C18 | H77 | 118.9° | 118.9° |
| N | C19 | C18 | C17 | 62.6° | 62.6° |
| C19 | N | C15 | H75 | 178.0° | 178.0° |
| N | C19 | H76 | H77 | 123.1° | 123.1° |
| N | C19 | C18 | H78 | 177.1° | 177.1° |
| N | C19 | C18 | H79 | 57.7° | 57.7° |
| C16 | C17 | C18 | C19 | 43.3° | 43.3° |
| C16 | C17 | C18 | H80 | 120.8° | 120.8° |
| C16 | C17 | C18 | H81 | 120.7° | 120.7° |
| C17 | C16 | C15 | H75 | 153.0° | 153.0° |
| C16 | C17 | C18 | H78 | 163.6° | 163.6° |
| C16 | C17 | C18 | H79 | 77.0° | 77.0° |
| C16 | C17 | H80 | H81 | 117.6° | 117.6° |
| C17 | C16 | H82 | H83 | 116.7° | 116.7° |
| C10 | C6 | C5 | C7 | 120.5° | 120.5° |
| C10 | C6 | C5 | H10 | 120.9° | 120.9° |
| C10 | C6 | C5 | C4 | 164.1° | 164.1° |
| C10 | C6 | C7 | H10 | 119.0° | 119.0° |
| C10 | C6 | C7 | C8 | 178.4° | 178.4° |
| C6 | C10 | C11 | H4 | 40.9° | 40.9° |
| C6 | C10 | H8 | H9 | 116.9° | 116.9° |
| C10 | C6 | C5 | H11 | 74.6° | 74.6° |
| C10 | C6 | C5 | H12 | 42.8° | 42.9° |
| C10 | C6 | C7 | H17 | 61.4° | 61.4° |
| C10 | C6 | C7 | H18 | 58.2° | 58.2° |
| C6 | C5 | C4 | H11 | 121.3° | 121.3° |
| C6 | C5 | C4 | H12 | 121.3° | 121.2° |
| C6 | C5 | C4 | O3 | 90.6° | 90.6° |
| C5 | C6 | C7 | H10 | 118.5° | 118.5° |
| C6 | C5 | C4 | C3 | 35.6° | 35.6° |
| C5 | C6 | C7 | C8 | 59.2° | 59.2° |
| C5 | C6 | C10 | H8 | 3.6° | 3.7° |
| C5 | C6 | C10 | H9 | 114.4° | 114.4° |
| C6 | C5 | H11 | H12 | 116.0° | 116.0° |
| C6 | C5 | C4 | H13 | 152.6° | 152.6° |
| C5 | C6 | C7 | H17 | 61.0° | 61.0° |
| C5 | C6 | C7 | H18 | 179.3° | 179.3° |
| C5 | C4 | O3 | C3 | 128.2° | 128.2° |
| C5 | C4 | O3 | H13 | 116.0° | 116.0° |
| C4 | C5 | C6 | C7 | 43.7° | 43.7° |
| C5 | C4 | C3 | H13 | 116.9° | 116.9° |
| C5 | C4 | C3 | C8 | 40.6° | 40.6° |
| C5 | C4 | C3 | O2 | 164.1° | 164.1° |
| C4 | C5 | C6 | H10 | 75.0° | 75.0° |
| C4 | C5 | H11 | H12 | 116.0° | 116.0° |
| C5 | C4 | C3 | H21 | 77.2° | 77.2° |
| O3 | C4 | C3 | H13 | 116.6° | 116.6° |
| O3 | C4 | C3 | C8 | 85.9° | 85.9° |
| O3 | C4 | C3 | O2 | 37.6° | 37.6° |
| O3 | C4 | C5 | H11 | 30.7° | 30.7° |
| O3 | C4 | C5 | H12 | 148.2° | 148.2° |
| C4 | O3 | C9 | H14 | 180.0° | 180.0° |
| C4 | O3 | C9 | H15 | 60.0° | 60.0° |
| C4 | O3 | C9 | H16 | 60.0° | 60.0° |
| O3 | C4 | C3 | H21 | 156.3° | 156.3° |
| C6 | C7 | C8 | H17 | 120.2° | 120.2° |
| C6 | C7 | C8 | H18 | 120.2° | 120.2° |
| C6 | C7 | C8 | C3 | 68.2° | 68.2° |
| C7 | C6 | C10 | H8 | 123.5° | 123.6° |
| C7 | C6 | C10 | H9 | 5.5° | 5.5° |
| C7 | C6 | C5 | H11 | 164.9° | 164.9° |
| C7 | C6 | C5 | H12 | 77.6° | 77.6° |
| C6 | C7 | H17 | H18 | 119.4° | 119.4° |
| C6 | C7 | C8 | H19 | 171.8° | 171.8° |
| C6 | C7 | C8 | H20 | 51.8° | 51.8° |
| C19 | C18 | C17 | H78 | 120.3° | 120.3° |
| C19 | C18 | C17 | H79 | 120.3° | 120.3° |
| C18 | C19 | H76 | H77 | 123.1° | 123.1° |
| C19 | C18 | H78 | H79 | 119.2° | 119.2° |
| C19 | C18 | C17 | H80 | 164.1° | 164.1° |
| C19 | C18 | C17 | H81 | 77.4° | 77.4° |
| C4 | C3 | C8 | C7 | 56.6° | 56.6° |
| C4 | C3 | C8 | O2 | 123.9° | 123.9° |
| C4 | C3 | C8 | H21 | 117.7° | 117.7° |
| C4 | C3 | O2 | H21 | 118.0° | 118.0° |
| C4 | C3 | O2 | C2 | 85.3° | 85.3° |
| C3 | C4 | C5 | H11 | 156.9° | 156.9° |
| C3 | C4 | C5 | H12 | 85.6° | 85.6° |
| C4 | C3 | C8 | H19 | 176.6° | 176.6° |
| C4 | C3 | C8 | H20 | 63.4° | 63.4° |
| C17 | C18 | C19 | H76 | 56.3° | 56.3° |
| C17 | C18 | C19 | H77 | 178.5° | 178.5° |
| C17 | C18 | H78 | H79 | 119.2° | 119.2° |
| C18 | C17 | H80 | H81 | 117.6° | 117.6° |
| C18 | C17 | C16 | H82 | 90.3° | 90.3° |
| C18 | C17 | C16 | H83 | 151.8° | 151.8° |
| O1 | C1 | C2 | O2 | 80.0° | 80.0° |
| O1 | C1 | C2 | H24 | 119.5° | 119.5° |
| O1 | C1 | C2 | H25 | 119.5° | 119.5° |
| O1 | C1 | C2 | H22 | 39.8° | 39.8° |
| O1 | C1 | C2 | H23 | 160.1° | 160.1° |
| O1 | C1 | H24 | H25 | 121.4° | 121.4° |
| C7 | C8 | C3 | H19 | 120.0° | 120.0° |
| C7 | C8 | C3 | H20 | 120.0° | 120.0° |
| C7 | C8 | C3 | O2 | 179.5° | 179.5° |
| C8 | C7 | C6 | H10 | 59.4° | 59.4° |
| C8 | C7 | H17 | H18 | 119.4° | 119.4° |
| C7 | C8 | H19 | H20 | 120.0° | 120.0° |
| C7 | C8 | C3 | H21 | 61.1° | 61.1° |
| C8 | C3 | O2 | H21 | 117.8° | 117.8° |
| C8 | C3 | O2 | C2 | 150.4° | 150.4° |
| C8 | C3 | C4 | H13 | 157.5° | 157.5° |
| C3 | C8 | C7 | H17 | 52.0° | 52.0° |
| C3 | C8 | C7 | H18 | 171.6° | 171.6° |
| C3 | C8 | H19 | H20 | 120.0° | 120.0° |
| C3 | O2 | C2 | C1 | 141.4° | 141.4° |
| O2 | C3 | C4 | H13 | 79.0° | 79.0° |
| O2 | C3 | C8 | H19 | 59.5° | 59.5° |
| O2 | C3 | C8 | H20 | 60.5° | 60.5° |
| C3 | O2 | C2 | H22 | 21.6° | 21.6° |
| C3 | O2 | C2 | H23 | 98.8° | 98.8° |
| O2 | C2 | C1 | H22 | 119.9° | 119.9° |
| O2 | C2 | C1 | H23 | 119.9° | 119.9° |
| C2 | O2 | C3 | H21 | 32.7° | 32.7° |
| O2 | C2 | H22 | H23 | 120.5° | 120.5° |
| O2 | C2 | C1 | H24 | 39.5° | 39.5° |
| O2 | C2 | C1 | H25 | 160.4° | 160.4° |
| C1 | C2 | H22 | H23 | 120.4° | 120.4° |
| C2 | C1 | H24 | H25 | 121.4° | 121.4° |
| C2 | C1 | O1 | H26 | 180.0° | 180.0° |
| H1 | C53 | C13 | H3 | 81.1° | 81.1° |
| H2 | C53 | C13 | H3 | 160.3° | 160.4° |
| H3 | C13 | C11 | H4 | 67.8° | 67.8° |
| H4 | C11 | C12 | H5 | 63.5° | 63.5° |
| H4 | C11 | C12 | H6 | 56.5° | 56.5° |
| H4 | C11 | C12 | H7 | 176.5° | 176.5° |
| H4 | C11 | C10 | H8 | 161.9° | 161.9° |
| H4 | C11 | C10 | H9 | 80.1° | 80.1° |
| H5 | C12 | H6 | H7 | 120.0° | 120.0° |
| H8 | C10 | C6 | H10 | 117.3° | 117.2° |
| H9 | C10 | C6 | H10 | 124.7° | 124.7° |
| H10 | C6 | C5 | H11 | 46.3° | 46.3° |
| H10 | C6 | C5 | H12 | 163.7° | 163.8° |
| H10 | C6 | C7 | H17 | 179.6° | 179.6° |
| H10 | C6 | C7 | H18 | 60.8° | 60.8° |
| H11 | C5 | C4 | H13 | 86.1° | 86.1° |
| H12 | C5 | C4 | H13 | 31.4° | 31.4° |
| H13 | C4 | C3 | H21 | 39.7° | 39.7° |
| H14 | C9 | H15 | H16 | 120.0° | 120.0° |
| H17 | C7 | C8 | H19 | 68.0° | 68.0° |
| H17 | C7 | C8 | H20 | 172.1° | 172.0° |
| H18 | C7 | C8 | H19 | 51.6° | 51.6° |
| H18 | C7 | C8 | H20 | 68.3° | 68.4° |
| H19 | C8 | C3 | H21 | 58.9° | 58.9° |
| H20 | C8 | C3 | H21 | 178.9° | 178.9° |
| H22 | C2 | C1 | H24 | 159.3° | 159.3° |
| H22 | C2 | C1 | H25 | 79.7° | 79.7° |
| H23 | C2 | C1 | H24 | 80.4° | 80.4° |
| H23 | C2 | C1 | H25 | 40.6° | 40.6° |
| H24 | C1 | O1 | H26 | 60.5° | 60.5° |
| H25 | C1 | O1 | H26 | 60.5° | 60.5° |
| H27 | C50 | C51 | H28 | 64.6° | 64.6° |
| H27 | C50 | C51 | H29 | 55.4° | 55.4° |
| H27 | C50 | C51 | H30 | 175.4° | 175.4° |
| H27 | C50 | C49 | H31 | 87.7° | 87.7° |
| H28 | C51 | H29 | H30 | 120.0° | 120.0° |
| H32 | C48 | H33 | H34 | 120.0° | 120.0° |
| H35 | C46 | O13 | H36 | 67.3° | 67.3° |
| H35 | C46 | C44 | H37 | 137.9° | 137.9° |
| H38 | C45 | H39 | H40 | 120.0° | 120.0° |
| H41 | C41 | C42 | H42 | 62.4° | 62.4° |
| H41 | C41 | C42 | H43 | 57.6° | 57.6° |
| H41 | C41 | C42 | H44 | 177.6° | 177.6° |
| H41 | C41 | C40 | H45 | 75.8° | 75.8° |
| H41 | C41 | C40 | H46 | 167.3° | 167.3° |
| H42 | C42 | H43 | H44 | 120.0° | 120.0° |
| H45 | C40 | C38 | H47 | 20.0° | 20.0° |
| H46 | C40 | C38 | H47 | 136.9° | 136.9° |
| H47 | C38 | C39 | H48 | 63.0° | 63.0° |
| H47 | C38 | C39 | H49 | 57.0° | 57.0° |
| H47 | C38 | C39 | H50 | 177.1° | 177.1° |
| H47 | C38 | C37 | H51 | 172.5° | 172.5° |
| H48 | C39 | H49 | H50 | 120.0° | 120.0° |
| H51 | C37 | C36 | H52 | 1.3° | 1.3° |
| H52 | C36 | C35 | H53 | 178.9° | 178.9° |
| H53 | C35 | C34 | H54 | 1.4° | 1.4° |
| H54 | C34 | C33 | H55 | 175.1° | 175.1° |
| H56 | C32 | H57 | H58 | 119.9° | 119.9° |
| H59 | C29 | C28 | H63 | 10.0° | 10.0° |
| H59 | C29 | C28 | H64 | 128.8° | 128.8° |
| H60 | C30 | H61 | H62 | 120.0° | 120.0° |
| H63 | C28 | C23 | H65 | 170.1° | 170.1° |
| H64 | C28 | C23 | H65 | 71.1° | 71.1° |
| H65 | C23 | C24 | H66 | 165.0° | 165.0° |
| H65 | C23 | C24 | H67 | 45.8° | 45.8° |
| H66 | C24 | C25 | H68 | 171.8° | 171.8° |
| H66 | C24 | C25 | H69 | 51.8° | 51.8° |
| H67 | C24 | C25 | H68 | 52.7° | 52.6° |
| H67 | C24 | C25 | H69 | 67.4° | 67.4° |
| H68 | C25 | C26 | H70 | 177.9° | 177.9° |
| H69 | C25 | C26 | H70 | 62.0° | 62.0° |
| H70 | C26 | C27 | H71 | 63.4° | 63.4° |
| H70 | C26 | C27 | H72 | 176.7° | 176.6° |
| H70 | C26 | C27 | H73 | 56.7° | 56.7° |
| H71 | C27 | H72 | H73 | 120.0° | 120.0° |
| H75 | C15 | C16 | H82 | 31.9° | 31.9° |
| H75 | C15 | C16 | H83 | 86.0° | 86.0° |
| H76 | C19 | C18 | H78 | 63.9° | 63.9° |
| H76 | C19 | C18 | H79 | 176.6° | 176.6° |
| H77 | C19 | C18 | H78 | 58.2° | 58.2° |
| H77 | C19 | C18 | H79 | 61.3° | 61.3° |
| H78 | C18 | C17 | H80 | 75.7° | 75.7° |
| H78 | C18 | C17 | H81 | 42.8° | 42.8° |
| H79 | C18 | C17 | H80 | 43.8° | 43.8° |
| H79 | C18 | C17 | H81 | 162.3° | 162.3° |
| H80 | C17 | C16 | H82 | 30.5° | 30.5° |
| H80 | C17 | C16 | H83 | 87.4° | 87.4° |
| H81 | C17 | C16 | H82 | 149.0° | 149.0° |
| H81 | C17 | C16 | H83 | 31.0° | 31.0° |
