A1D78
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | O24 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| O24 | C23 | sing | 1.43Å | 1.42Å | |
| C26 | C21 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | N19 | sing | 1.47Å | 1.46Å | |
| O27 | C18 | doub | 1.22Å | 1.22Å | |
| N19 | C18 | sing | 1.35Å | 1.34Å | |
| C18 | N17 | sing | 1.35Å | 1.35Å | |
| N17 | C16 | sing | 1.46Å | 1.45Å | |
| C16 | C14 | sing | 1.54Å | 1.54Å | |
| O36 | C35 | doub | 1.21Å | 1.22Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | C28 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.52Å | 1.54Å | |
| C28 | C29 | sing | 1.52Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C32 | C35 | sing | 1.47Å | 1.45Å | |
| C32 | C31 | doub | 1.33Å | 1.34Å | |
| C35 | C34 | sing | 1.51Å | 1.52Å | |
| C1 | C2 | sing | 1.52Å | 1.54Å | |
| C12 | C31 | sing | 1.52Å | 1.52Å | |
| C12 | C10 | sing | 1.53Å | 1.54Å | |
| C33 | C6 | sing | 1.54Å | 1.54Å | |
| C31 | C7 | sing | 1.50Å | 1.53Å | |
| C29 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C34 | C2 | sing | 1.53Å | 1.57Å | |
| C34 | C6 | sing | 1.52Å | 1.57Å | |
| C54 | C2 | sing | 1.54Å | 1.53Å | |
| C54 | C53 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C6 | C7 | sing | 1.53Å | 1.59Å | |
| C6 | C5 | sing | 1.52Å | 1.54Å | |
| C53 | C40 | sing | 1.52Å | 1.51Å | |
| C7 | C8 | sing | 1.52Å | 1.55Å | |
| C7 | C30 | sing | 1.54Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C37 | sing | 1.51Å | 1.56Å | |
| C5 | C4 | sing | 1.54Å | 1.52Å | |
| C40 | C37 | sing | 1.53Å | 1.54Å | |
| C40 | O41 | sing | 1.43Å | 1.44Å | |
| C37 | C39 | sing | 1.55Å | 1.52Å | |
| O41 | C42 | sing | 1.43Å | 1.40Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C42 | O52 | sing | 1.43Å | 1.42Å | |
| C43 | O44 | sing | 1.43Å | 1.42Å | |
| C43 | C45 | sing | 1.53Å | 1.52Å | |
| O52 | C49 | sing | 1.43Å | 1.44Å | |
| C45 | O46 | sing | 1.43Å | 1.42Å | |
| C45 | C47 | sing | 1.53Å | 1.52Å | |
| C50 | C49 | sing | 1.53Å | 1.51Å | |
| C50 | O51 | sing | 1.43Å | 1.42Å | |
| C49 | C47 | sing | 1.53Å | 1.53Å | |
| C47 | O48 | sing | 1.43Å | 1.42Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C11 | H11C | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.10Å | 1.10Å | |
| C13 | H13B | sing | 1.10Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C15 | H15C | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.10Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.10Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.12Å | 1.10Å | |
| C30 | H30C | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C33 | H33C | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.11Å | 1.10Å | |
| C38 | H38C | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C39 | H39C | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.08Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C50 | H50B | sing | 1.09Å | 1.10Å | |
| C53 | H53A | sing | 1.10Å | 1.10Å | |
| C53 | H53B | sing | 1.09Å | 1.10Å | |
| C54 | H54B | sing | 1.09Å | 1.10Å | |
| C54 | H54A | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.08Å | 1.10Å | |
| C8 | H8B | sing | 1.11Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| N17 | H17 | sing | 0.97Å | 1.00Å | |
| N19 | H19 | sing | 0.97Å | 1.00Å | |
| O44 | H44 | sing | 0.97Å | 0.95Å | |
| O46 | H46 | sing | 0.97Å | 0.95Å | |
| O48 | H48 | sing | 0.97Å | 0.95Å | |
| O51 | H51 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | C25 | C26 | 111.8° | 109.4° |
| C25 | O24 | C23 | 111.3° | 114.1° |
| O24 | C25 | H25A | 108.9° | 109.5° |
| O24 | C25 | H25B | 108.9° | 109.5° |
| C25 | C26 | C21 | 116.4° | 109.2° |
| C26 | C25 | H25A | 108.9° | 109.5° |
| C26 | C25 | H25B | 108.9° | 109.5° |
| C25 | C26 | H26A | 107.7° | 109.5° |
| C25 | C26 | H26B | 107.7° | 109.6° |
| O24 | C23 | C22 | 111.5° | 109.4° |
| O24 | C23 | H23A | 108.9° | 109.5° |
| O24 | C23 | H23B | 109.0° | 109.5° |
| C26 | C21 | C22 | 109.1° | 109.0° |
| C26 | C21 | C20 | 110.8° | 109.6° |
| C26 | C21 | H21 | 108.6° | 109.6° |
| C21 | C26 | H26A | 107.7° | 109.5° |
| C21 | C26 | H26B | 107.7° | 109.5° |
| C23 | C22 | C21 | 110.8° | 109.2° |
| C23 | C22 | H22B | 109.1° | 109.5° |
| C23 | C22 | H22A | 109.2° | 109.5° |
| C22 | C23 | H23A | 109.0° | 109.4° |
| C22 | C23 | H23B | 109.0° | 109.5° |
| C22 | C21 | C20 | 111.0° | 109.5° |
| C22 | C21 | H21 | 108.6° | 109.5° |
| C21 | C22 | H22B | 109.2° | 109.6° |
| C21 | C22 | H22A | 109.1° | 109.5° |
| C21 | C20 | N19 | 113.0° | 109.5° |
| C21 | C20 | H20B | 108.6° | 109.5° |
| C21 | C20 | H20A | 108.6° | 109.5° |
| C20 | C21 | H21 | 108.7° | 109.5° |
| C20 | N19 | C18 | 122.5° | 120.0° |
| N19 | C20 | H20B | 108.6° | 109.5° |
| N19 | C20 | H20A | 108.6° | 109.4° |
| C20 | N19 | H19 | 118.8° | 120.0° |
| O27 | C18 | N19 | 122.2° | 120.0° |
| O27 | C18 | N17 | 122.7° | 120.0° |
| N19 | C18 | N17 | 115.1° | 120.0° |
| C18 | N19 | H19 | 118.7° | 120.0° |
| C18 | N17 | C16 | 124.2° | 120.0° |
| C18 | N17 | H17 | 117.9° | 120.1° |
| N17 | C16 | C14 | 114.8° | 109.5° |
| N17 | C16 | H16B | 108.1° | 109.5° |
| N17 | C16 | H16A | 108.1° | 109.5° |
| C16 | N17 | H17 | 117.9° | 119.9° |
| C16 | C14 | C13 | 109.3° | 108.6° |
| C16 | C14 | C28 | 109.3° | 108.6° |
| C16 | C14 | C15 | 108.7° | 108.3° |
| C14 | C16 | H16B | 108.1° | 109.5° |
| C14 | C16 | H16A | 108.1° | 109.4° |
| O36 | C35 | C32 | 120.3° | 120.1° |
| O36 | C35 | C34 | 123.2° | 124.0° |
| C13 | C14 | C28 | 108.7° | 111.2° |
| C13 | C14 | C15 | 110.5° | 110.0° |
| C14 | C13 | C12 | 113.9° | 111.2° |
| C14 | C13 | H13B | 108.4° | 108.3° |
| C14 | C13 | H13A | 108.3° | 109.8° |
| C28 | C14 | C15 | 110.3° | 110.0° |
| C14 | C28 | C29 | 115.6° | 112.0° |
| C14 | C28 | H28A | 107.9° | 108.5° |
| C14 | C28 | H28B | 107.9° | 109.6° |
| C14 | C15 | H15A | 109.5° | 109.5° |
| C14 | C15 | H15B | 109.5° | 109.4° |
| C14 | C15 | H15C | 109.4° | 109.5° |
| C13 | C12 | C31 | 113.7° | 111.2° |
| C13 | C12 | C10 | 113.0° | 111.0° |
| C13 | C12 | H12 | 105.6° | 109.1° |
| C12 | C13 | H13B | 108.3° | 108.9° |
| C12 | C13 | H13A | 108.4° | 110.7° |
| C28 | C29 | C10 | 114.0° | 110.8° |
| C29 | C28 | H28A | 107.9° | 108.8° |
| C29 | C28 | H28B | 107.9° | 110.5° |
| C28 | C29 | H29A | 108.3° | 109.2° |
| C28 | C29 | H29B | 108.4° | 110.5° |
| C11 | C10 | C12 | 110.7° | 110.7° |
| C11 | C10 | C29 | 109.6° | 109.5° |
| C11 | C10 | C9 | 109.2° | 109.6° |
| C10 | C11 | H11A | 109.5° | 109.5° |
| C10 | C11 | H11B | 109.5° | 109.5° |
| C10 | C11 | H11C | 109.5° | 109.5° |
| C35 | C32 | C31 | 124.6° | 121.1° |
| C32 | C35 | C34 | 116.6° | 115.9° |
| C35 | C32 | H32 | 117.7° | 118.6° |
| C32 | C31 | C12 | 121.9° | 118.0° |
| C32 | C31 | C7 | 121.5° | 123.1° |
| C31 | C32 | H32 | 117.7° | 120.3° |
| C35 | C34 | C2 | 115.4° | 112.7° |
| C35 | C34 | C6 | 108.5° | 107.6° |
| C35 | C34 | H34 | 104.5° | 106.7° |
| C1 | C2 | C34 | 112.9° | 112.1° |
| C1 | C2 | C54 | 108.3° | 108.1° |
| C1 | C2 | C3 | 113.7° | 112.3° |
| C2 | C1 | H1C | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.4° | 109.5° |
| C31 | C12 | C10 | 112.3° | 109.2° |
| C12 | C31 | C7 | 116.5° | 118.8° |
| C31 | C12 | H12 | 105.8° | 107.8° |
| C12 | C10 | C29 | 108.5° | 109.5° |
| C12 | C10 | C9 | 108.2° | 107.9° |
| C10 | C12 | H12 | 105.5° | 108.5° |
| C33 | C6 | C34 | 110.6° | 109.0° |
| C33 | C6 | C7 | 110.3° | 106.1° |
| C33 | C6 | C5 | 107.5° | 108.1° |
| C6 | C33 | H33B | 109.5° | 109.5° |
| C6 | C33 | H33C | 109.5° | 109.5° |
| C6 | C33 | H33A | 109.4° | 109.5° |
| C31 | C7 | C6 | 109.5° | 111.5° |
| C31 | C7 | C8 | 111.2° | 113.0° |
| C31 | C7 | C30 | 106.6° | 106.4° |
| C29 | C10 | C9 | 110.7° | 109.6° |
| C10 | C29 | H29A | 108.3° | 108.6° |
| C10 | C29 | H29B | 108.3° | 109.5° |
| C10 | C9 | C8 | 114.0° | 110.6° |
| C10 | C9 | H9B | 108.3° | 109.4° |
| C10 | C9 | H9A | 108.3° | 108.7° |
| C2 | C34 | C6 | 118.5° | 115.3° |
| C34 | C2 | C54 | 108.0° | 107.8° |
| C34 | C2 | C3 | 106.2° | 107.7° |
| C2 | C34 | H34 | 104.0° | 105.7° |
| C34 | C6 | C7 | 108.1° | 109.5° |
| C34 | C6 | C5 | 110.1° | 113.1° |
| C6 | C34 | H34 | 104.1° | 108.5° |
| C2 | C54 | C53 | 112.5° | 109.8° |
| C54 | C2 | C3 | 107.5° | 108.7° |
| C2 | C54 | H54B | 108.7° | 109.2° |
| C2 | C54 | H54A | 108.7° | 108.8° |
| C54 | C53 | C40 | 110.7° | 109.9° |
| C54 | C53 | H53A | 109.2° | 108.5° |
| C54 | C53 | H53B | 109.2° | 111.3° |
| C53 | C54 | H54B | 108.7° | 109.7° |
| C53 | C54 | H54A | 108.7° | 109.7° |
| C2 | C3 | C4 | 110.7° | 109.5° |
| C2 | C3 | C37 | 117.5° | 116.2° |
| C2 | C3 | H3 | 104.1° | 105.5° |
| C7 | C6 | C5 | 110.2° | 110.7° |
| C6 | C7 | C8 | 110.4° | 110.4° |
| C6 | C7 | C30 | 112.4° | 108.2° |
| C6 | C5 | C4 | 113.6° | 111.1° |
| C6 | C5 | H5B | 108.4° | 109.6° |
| C6 | C5 | H5A | 108.4° | 111.8° |
| C53 | C40 | C37 | 114.4° | 111.7° |
| C53 | C40 | O41 | 109.3° | 109.4° |
| C53 | C40 | H40 | 107.8° | 109.2° |
| C40 | C53 | H53A | 109.2° | 108.6° |
| C40 | C53 | H53B | 109.2° | 110.8° |
| C8 | C7 | C30 | 106.7° | 107.1° |
| C7 | C8 | C9 | 114.4° | 112.9° |
| C7 | C8 | H8A | 108.2° | 113.6° |
| C7 | C8 | H8B | 108.2° | 107.7° |
| C7 | C30 | H30C | 109.5° | 109.4° |
| C7 | C30 | H30A | 109.5° | 109.5° |
| C7 | C30 | H30B | 109.5° | 109.5° |
| C9 | C8 | H8A | 108.2° | 109.2° |
| C9 | C8 | H8B | 108.2° | 107.2° |
| C8 | C9 | H9B | 108.4° | 110.2° |
| C8 | C9 | H9A | 108.3° | 109.2° |
| C38 | C37 | C3 | 114.1° | 112.9° |
| C38 | C37 | C40 | 110.0° | 110.0° |
| C38 | C37 | C39 | 107.5° | 107.0° |
| C37 | C38 | H38C | 109.5° | 109.4° |
| C37 | C38 | H38B | 109.5° | 109.4° |
| C37 | C38 | H38A | 109.4° | 109.5° |
| C4 | C3 | C37 | 114.4° | 113.1° |
| C3 | C4 | C5 | 108.8° | 107.7° |
| C4 | C3 | H3 | 104.3° | 105.4° |
| C3 | C4 | H4A | 109.6° | 112.0° |
| C3 | C4 | H4B | 109.7° | 110.1° |
| C3 | C37 | C40 | 107.4° | 112.0° |
| C3 | C37 | C39 | 109.3° | 108.2° |
| C37 | C3 | H3 | 104.1° | 106.2° |
| C5 | C4 | H4A | 109.6° | 110.2° |
| C5 | C4 | H4B | 109.6° | 107.9° |
| C4 | C5 | H5B | 108.4° | 108.4° |
| C4 | C5 | H5A | 108.4° | 107.4° |
| C37 | C40 | O41 | 109.0° | 109.1° |
| C40 | C37 | C39 | 108.4° | 106.3° |
| C37 | C40 | H40 | 107.5° | 108.8° |
| C40 | O41 | C42 | 115.5° | 114.0° |
| O41 | C40 | H40 | 108.7° | 108.5° |
| C37 | C39 | H39B | 109.5° | 109.5° |
| C37 | C39 | H39C | 109.5° | 109.5° |
| C37 | C39 | H39A | 109.5° | 109.5° |
| O41 | C42 | C43 | 107.1° | 109.5° |
| O41 | C42 | O52 | 109.8° | 109.5° |
| O41 | C42 | H42 | 110.2° | 109.5° |
| C43 | C42 | O52 | 111.1° | 109.4° |
| C42 | C43 | O44 | 110.3° | 109.5° |
| C42 | C43 | C45 | 110.2° | 109.2° |
| C43 | C42 | H42 | 108.6° | 109.5° |
| C42 | C43 | H43 | 108.2° | 109.5° |
| C42 | O52 | C49 | 115.6° | 114.1° |
| O52 | C42 | H42 | 110.1° | 109.5° |
| O44 | C43 | C45 | 110.4° | 109.5° |
| O44 | C43 | H43 | 109.5° | 109.5° |
| C43 | O44 | H44 | 109.5° | 114.1° |
| C43 | C45 | O46 | 109.3° | 109.5° |
| C43 | C45 | C47 | 111.0° | 109.1° |
| C45 | C43 | H43 | 108.2° | 109.7° |
| C43 | C45 | H45 | 108.6° | 109.5° |
| O52 | C49 | C50 | 108.0° | 109.5° |
| O52 | C49 | C47 | 110.4° | 109.4° |
| O52 | C49 | H49 | 109.0° | 109.5° |
| O46 | C45 | C47 | 109.5° | 109.6° |
| O46 | C45 | H45 | 109.9° | 109.5° |
| C45 | O46 | H46 | 109.5° | 114.1° |
| C45 | C47 | C49 | 110.6° | 109.1° |
| C45 | C47 | O48 | 109.9° | 109.5° |
| C47 | C45 | H45 | 108.6° | 109.6° |
| C45 | C47 | H47 | 108.8° | 109.5° |
| C49 | C50 | O51 | 111.1° | 109.4° |
| C50 | C49 | C47 | 113.4° | 109.4° |
| C50 | C49 | H49 | 108.1° | 109.5° |
| C49 | C50 | H50A | 109.1° | 109.5° |
| C49 | C50 | H50B | 109.0° | 109.5° |
| O51 | C50 | H50A | 109.0° | 109.5° |
| O51 | C50 | H50B | 109.1° | 109.4° |
| C50 | O51 | H51 | 109.5° | 113.9° |
| C49 | C47 | O48 | 108.7° | 109.5° |
| C49 | C47 | H47 | 108.7° | 109.6° |
| C47 | C49 | H49 | 107.9° | 109.5° |
| O48 | C47 | H47 | 110.1° | 109.6° |
| C47 | O48 | H48 | 109.5° | 114.0° |
| H1C | C1 | H1A | 109.5° | 109.5° |
| H1C | C1 | H1B | 109.4° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.4° | 109.5° |
| H11A | C11 | H11C | 109.5° | 109.4° |
| H11B | C11 | H11C | 109.5° | 109.5° |
| H13B | C13 | H13A | 109.5° | 107.8° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15C | 109.5° | 109.5° |
| H15B | C15 | H15C | 109.5° | 109.5° |
| H16B | C16 | H16A | 109.5° | 109.5° |
| H20B | C20 | H20A | 109.5° | 109.4° |
| H22B | C22 | H22A | 109.5° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.4° | 109.6° |
| H28A | C28 | H28B | 109.5° | 107.5° |
| H29A | C29 | H29B | 109.5° | 108.2° |
| H30C | C30 | H30A | 109.4° | 109.5° |
| H30C | C30 | H30B | 109.4° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| H33B | C33 | H33C | 109.4° | 109.5° |
| H33B | C33 | H33A | 109.5° | 109.5° |
| H33C | C33 | H33A | 109.5° | 109.4° |
| H38C | C38 | H38B | 109.5° | 109.5° |
| H38C | C38 | H38A | 109.5° | 109.5° |
| H38B | C38 | H38A | 109.5° | 109.5° |
| H39B | C39 | H39C | 109.5° | 109.4° |
| H39B | C39 | H39A | 109.5° | 109.5° |
| H39C | C39 | H39A | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.5° | 108.8° |
| H5B | C5 | H5A | 109.5° | 108.4° |
| H50A | C50 | H50B | 109.5° | 109.5° |
| H53A | C53 | H53B | 109.4° | 107.6° |
| H54B | C54 | H54A | 109.4° | 109.6° |
| H8A | C8 | H8B | 109.5° | 105.9° |
| H9B | C9 | H9A | 109.4° | 108.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C25 | C26 | H25A | 120.4° | 120.0° |
| O24 | C25 | C26 | H25B | 120.4° | 119.9° |
| O24 | C25 | C26 | C21 | 36.6° | 57.6° |
| C25 | O24 | C23 | C22 | 69.4° | 61.1° |
| C25 | O24 | C23 | H23A | 50.9° | 58.8° |
| C25 | O24 | C23 | H23B | 170.3° | 178.9° |
| O24 | C25 | H25A | H25B | 119.0° | 120.0° |
| O24 | C25 | C26 | H26A | 157.6° | 62.3° |
| O24 | C25 | C26 | H26B | 84.4° | 177.5° |
| C26 | C25 | O24 | C23 | 22.2° | 61.1° |
| C25 | C26 | C21 | H26A | 121.0° | 119.9° |
| C25 | C26 | C21 | H26B | 121.0° | 119.9° |
| C25 | C26 | C21 | C22 | 49.2° | 57.0° |
| C25 | C26 | C21 | C20 | 171.7° | 176.9° |
| C25 | C26 | C21 | H21 | 69.1° | 62.9° |
| C26 | C25 | H25A | H25B | 118.9° | 120.0° |
| C25 | C26 | H26A | H26B | 116.8° | 120.2° |
| O24 | C23 | C22 | H23A | 120.3° | 120.0° |
| O24 | C23 | C22 | H23B | 120.3° | 120.0° |
| O24 | C23 | C22 | C21 | 53.2° | 57.6° |
| O24 | C23 | C22 | H22B | 173.4° | 177.6° |
| O24 | C23 | C22 | H22A | 67.0° | 62.3° |
| O24 | C23 | H23A | H23B | 119.1° | 120.1° |
| C23 | O24 | C25 | H25A | 142.6° | 178.9° |
| C23 | O24 | C25 | H25B | 98.1° | 58.8° |
| C26 | C21 | C22 | C23 | 4.5° | 56.9° |
| C26 | C21 | C22 | C20 | 122.4° | 119.9° |
| C26 | C21 | C22 | H21 | 118.2° | 120.0° |
| C26 | C21 | C20 | H21 | 119.2° | 120.3° |
| C26 | C21 | C20 | N19 | 176.9° | 65.4° |
| C26 | C21 | C20 | H20B | 62.6° | 54.6° |
| C26 | C21 | C20 | H20A | 56.4° | 174.6° |
| C26 | C21 | C22 | H22B | 115.7° | 176.9° |
| C26 | C21 | C22 | H22A | 124.7° | 63.0° |
| C21 | C26 | C25 | H25A | 83.8° | 177.6° |
| C21 | C26 | C25 | H25B | 156.9° | 62.4° |
| C21 | C26 | H26A | H26B | 116.8° | 120.1° |
| C23 | C22 | C21 | H22B | 120.2° | 120.0° |
| C23 | C22 | C21 | H22A | 120.2° | 119.9° |
| C23 | C22 | C21 | C20 | 126.9° | 176.8° |
| C23 | C22 | C21 | H21 | 113.7° | 63.0° |
| C23 | C22 | H22B | H22A | 119.4° | 120.1° |
| C22 | C23 | H23A | H23B | 119.1° | 120.0° |
| C22 | C21 | C20 | H21 | 119.4° | 120.2° |
| C22 | C21 | C20 | N19 | 55.5° | 175.0° |
| C22 | C21 | C20 | H20B | 176.0° | 65.0° |
| C22 | C21 | C20 | H20A | 65.0° | 55.0° |
| C21 | C22 | H22B | H22A | 119.4° | 120.2° |
| C21 | C22 | C23 | H23A | 67.1° | 62.4° |
| C21 | C22 | C23 | H23B | 173.5° | 177.6° |
| C22 | C21 | C26 | H26A | 170.2° | 62.9° |
| C22 | C21 | C26 | H26B | 71.9° | 176.9° |
| C21 | C20 | N19 | H20B | 120.6° | 120.0° |
| C21 | C20 | N19 | H20A | 120.5° | 120.0° |
| C21 | C20 | N19 | C18 | 76.8° | 180.0° |
| C21 | C20 | H20B | H20A | 118.4° | 120.0° |
| C20 | C21 | C22 | H22B | 6.7° | 63.2° |
| C20 | C21 | C22 | H22A | 112.9° | 56.9° |
| C20 | C21 | C26 | H26A | 67.3° | 57.0° |
| C20 | C21 | C26 | H26B | 50.7° | 63.2° |
| C21 | C20 | N19 | H19 | 103.2° | 0.0° |
| C20 | N19 | C18 | O27 | 7.1° | 0.1° |
| C20 | N19 | C18 | H19 | 180.0° | 179.9° |
| C20 | N19 | C18 | N17 | 173.9° | 180.0° |
| N19 | C20 | H20B | H20A | 118.3° | 120.0° |
| N19 | C20 | C21 | H21 | 63.9° | 54.8° |
| O27 | C18 | N19 | N17 | 178.9° | 179.9° |
| O27 | C18 | N17 | C16 | 0.7° | 0.0° |
| O27 | C18 | N17 | H17 | 179.4° | 180.0° |
| O27 | C18 | N19 | H19 | 172.8° | 180.0° |
| N19 | C18 | N17 | C16 | 179.6° | 180.0° |
| C18 | N19 | C20 | H20B | 43.7° | 60.0° |
| C18 | N19 | C20 | H20A | 162.6° | 59.9° |
| N19 | C18 | N17 | H17 | 0.4° | 0.1° |
| C18 | N17 | C16 | H17 | 180.0° | 179.9° |
| C18 | N17 | C16 | C14 | 113.1° | 180.0° |
| C18 | N17 | C16 | H16B | 126.1° | 60.0° |
| C18 | N17 | C16 | H16A | 7.6° | 60.1° |
| N17 | C18 | N19 | H19 | 6.1° | 0.1° |
| N17 | C16 | C14 | H16B | 120.8° | 120.1° |
| N17 | C16 | C14 | H16A | 120.8° | 120.0° |
| N17 | C16 | C14 | C13 | 58.1° | 180.0° |
| N17 | C16 | C14 | C28 | 176.9° | 59.0° |
| N17 | C16 | C14 | C15 | 62.5° | 60.5° |
| N17 | C16 | H16B | H16A | 117.5° | 120.0° |
| C16 | C14 | C13 | C28 | 119.2° | 119.4° |
| C16 | C14 | C13 | C15 | 119.5° | 118.4° |
| C16 | C14 | C28 | C15 | 119.5° | 118.4° |
| C16 | C14 | C13 | C12 | 170.4° | 173.4° |
| C16 | C14 | C28 | C29 | 168.2° | 172.9° |
| C16 | C14 | C13 | H13B | 49.8° | 67.0° |
| C16 | C14 | C13 | H13A | 68.9° | 50.5° |
| C16 | C14 | C15 | H15A | 180.0° | 58.6° |
| C16 | C14 | C15 | H15B | 60.0° | 61.4° |
| C16 | C14 | C15 | H15C | 60.0° | 178.7° |
| C14 | C16 | H16B | H16A | 117.6° | 119.9° |
| C16 | C14 | C28 | H28A | 70.9° | 67.0° |
| C16 | C14 | C28 | H28B | 47.3° | 50.0° |
| C14 | C16 | N17 | H17 | 66.9° | 0.1° |
| O36 | C35 | C32 | C34 | 179.7° | 178.6° |
| O36 | C35 | C32 | C31 | 179.2° | 166.1° |
| O36 | C35 | C34 | C2 | 6.9° | 6.7° |
| O36 | C35 | C34 | C6 | 142.7° | 135.0° |
| O36 | C35 | C32 | H32 | 0.8° | 13.9° |
| O36 | C35 | C34 | H34 | 106.7° | 108.8° |
| C13 | C14 | C28 | C15 | 121.3° | 122.1° |
| C14 | C13 | C12 | H13B | 120.7° | 119.3° |
| C14 | C13 | C12 | H13A | 120.6° | 122.4° |
| C13 | C14 | C28 | C29 | 49.0° | 53.5° |
| C14 | C13 | C12 | C31 | 173.7° | 179.0° |
| C14 | C13 | C12 | C10 | 56.7° | 57.2° |
| C14 | C13 | C12 | H12 | 58.1° | 62.3° |
| C14 | C13 | H13B | H13A | 118.0° | 118.8° |
| C13 | C14 | C15 | H15A | 60.1° | 60.0° |
| C13 | C14 | C15 | H15B | 59.9° | 180.0° |
| C13 | C14 | C15 | H15C | 179.9° | 60.1° |
| C13 | C14 | C16 | H16B | 178.9° | 60.0° |
| C13 | C14 | C16 | H16A | 62.7° | 60.0° |
| C13 | C14 | C28 | H28A | 169.9° | 173.5° |
| C13 | C14 | C28 | H28B | 71.9° | 69.4° |
| C28 | C14 | C13 | C12 | 51.2° | 53.9° |
| C14 | C28 | C29 | H28A | 120.9° | 119.9° |
| C14 | C28 | C29 | H28B | 120.9° | 122.4° |
| C14 | C28 | C29 | C10 | 51.8° | 55.8° |
| C28 | C14 | C13 | H13B | 69.4° | 173.6° |
| C28 | C14 | C13 | H13A | 171.8° | 69.0° |
| C28 | C14 | C15 | H15A | 60.1° | 177.2° |
| C28 | C14 | C15 | H15B | 179.9° | 57.2° |
| C28 | C14 | C15 | H15C | 59.9° | 62.7° |
| C28 | C14 | C16 | H16B | 62.3° | 179.0° |
| C28 | C14 | C16 | H16A | 56.2° | 61.0° |
| C14 | C28 | H28A | H28B | 117.2° | 118.4° |
| C14 | C28 | C29 | H29A | 68.8° | 175.3° |
| C14 | C28 | C29 | H29B | 172.5° | 65.7° |
| C15 | C14 | C13 | C12 | 70.0° | 68.2° |
| C15 | C14 | C28 | C29 | 72.3° | 68.6° |
| C15 | C14 | C13 | H13B | 169.3° | 51.4° |
| C15 | C14 | C13 | H13A | 50.6° | 168.9° |
| C14 | C15 | H15A | H15B | 120.0° | 119.9° |
| C14 | C15 | H15A | H15C | 120.0° | 120.0° |
| C14 | C15 | H15B | H15C | 120.0° | 120.0° |
| C15 | C14 | C16 | H16B | 58.2° | 59.6° |
| C15 | C14 | C16 | H16A | 176.7° | 179.5° |
| C15 | C14 | C28 | H28A | 48.6° | 51.4° |
| C15 | C14 | C28 | H28B | 166.8° | 168.4° |
| C13 | C12 | C10 | C11 | 66.2° | 62.1° |
| C13 | C12 | C31 | C32 | 2.0° | 10.1° |
| C13 | C12 | C31 | C10 | 130.0° | 122.8° |
| C13 | C12 | C31 | H12 | 115.4° | 119.5° |
| C13 | C12 | C10 | H12 | 114.9° | 119.9° |
| C13 | C12 | C31 | C7 | 177.4° | 171.3° |
| C13 | C12 | C10 | C29 | 54.1° | 58.8° |
| C13 | C12 | C10 | C9 | 174.2° | 178.0° |
| C12 | C13 | H13B | H13A | 118.0° | 120.2° |
| C28 | C29 | C10 | C11 | 69.5° | 63.9° |
| C28 | C29 | C10 | C12 | 51.5° | 57.7° |
| C28 | C29 | C10 | H29A | 120.7° | 119.9° |
| C28 | C29 | C10 | H29B | 120.7° | 122.1° |
| C28 | C29 | C10 | C9 | 170.1° | 175.8° |
| C29 | C28 | H28A | H28B | 117.2° | 119.6° |
| C28 | C29 | H29A | H29B | 118.0° | 120.3° |
| C11 | C10 | C12 | C31 | 64.1° | 60.8° |
| C11 | C10 | C12 | C29 | 120.3° | 120.9° |
| C11 | C10 | C12 | C9 | 119.6° | 119.9° |
| C11 | C10 | C29 | C9 | 120.4° | 120.2° |
| C11 | C10 | C9 | C8 | 64.9° | 55.7° |
| C10 | C11 | H11A | H11B | 120.0° | 120.0° |
| C10 | C11 | H11A | H11C | 120.0° | 120.0° |
| C10 | C11 | H11B | H11C | 120.0° | 120.1° |
| C11 | C10 | C12 | H12 | 178.9° | 178.0° |
| C11 | C10 | C29 | H29A | 169.8° | 56.0° |
| C11 | C10 | C29 | H29B | 51.2° | 174.0° |
| C11 | C10 | C9 | H9B | 174.4° | 177.4° |
| C11 | C10 | C9 | H9A | 55.8° | 64.2° |
| C35 | C32 | C31 | H32 | 180.0° | 180.0° |
| C35 | C32 | C31 | C12 | 165.5° | 178.5° |
| C35 | C32 | C31 | C7 | 9.7° | 0.1° |
| C32 | C35 | C34 | C2 | 172.8° | 174.7° |
| C32 | C35 | C34 | C6 | 37.0° | 46.5° |
| C32 | C35 | C34 | H34 | 73.6° | 69.7° |
| C31 | C32 | C35 | C34 | 0.5° | 15.3° |
| C32 | C31 | C12 | C7 | 175.4° | 178.6° |
| C32 | C31 | C12 | C10 | 132.0° | 132.9° |
| C32 | C31 | C7 | C6 | 17.8° | 17.5° |
| C32 | C31 | C7 | C8 | 140.0° | 142.6° |
| C32 | C31 | C7 | C30 | 104.1° | 100.3° |
| C32 | C31 | C12 | H12 | 113.4° | 109.4° |
| C35 | C34 | C2 | C1 | 54.4° | 51.7° |
| C35 | C34 | C6 | C33 | 58.6° | 52.4° |
| C35 | C34 | C2 | C6 | 131.2° | 124.0° |
| C35 | C34 | C2 | H34 | 113.9° | 116.2° |
| C35 | C34 | C6 | H34 | 110.9° | 115.0° |
| C35 | C34 | C2 | C54 | 65.3° | 67.2° |
| C35 | C34 | C2 | C3 | 179.6° | 175.7° |
| C35 | C34 | C6 | C7 | 62.3° | 63.3° |
| C35 | C34 | C6 | C5 | 177.2° | 172.6° |
| C34 | C35 | C32 | H32 | 179.5° | 164.7° |
| C1 | C2 | C34 | C54 | 119.7° | 118.9° |
| C1 | C2 | C34 | C3 | 125.2° | 124.0° |
| C1 | C2 | C34 | C6 | 76.8° | 72.4° |
| C1 | C2 | C54 | C3 | 123.2° | 122.1° |
| C1 | C2 | C54 | C53 | 68.6° | 63.9° |
| C1 | C2 | C3 | C4 | 65.9° | 61.6° |
| C1 | C2 | C3 | C37 | 68.1° | 68.1° |
| C2 | C1 | H1C | H1A | 120.0° | 120.0° |
| C2 | C1 | H1C | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 177.5° | 174.6° |
| C1 | C2 | C34 | H34 | 168.3° | 167.8° |
| C1 | C2 | C54 | H54B | 51.8° | 56.4° |
| C1 | C2 | C54 | H54A | 170.9° | 175.9° |
| C31 | C12 | C10 | H12 | 114.8° | 117.2° |
| C31 | C12 | C10 | C29 | 175.6° | 178.3° |
| C31 | C12 | C10 | C9 | 55.5° | 59.1° |
| C12 | C31 | C7 | C6 | 166.8° | 164.0° |
| C12 | C31 | C7 | C8 | 44.5° | 38.9° |
| C12 | C31 | C7 | C30 | 71.4° | 78.3° |
| C31 | C12 | C13 | H13B | 65.7° | 61.8° |
| C31 | C12 | C13 | H13A | 53.0° | 56.6° |
| C12 | C31 | C32 | H32 | 14.6° | 1.5° |
| C10 | C12 | C31 | C7 | 52.6° | 48.5° |
| C12 | C10 | C29 | C9 | 118.6° | 118.2° |
| C12 | C10 | C9 | C8 | 55.8° | 64.9° |
| C12 | C10 | C11 | H11A | 180.0° | 178.9° |
| C12 | C10 | C11 | H11B | 60.0° | 61.1° |
| C12 | C10 | C11 | H11C | 60.0° | 59.0° |
| C10 | C12 | C13 | H13B | 63.9° | 176.5° |
| C10 | C12 | C13 | H13A | 177.4° | 65.2° |
| C12 | C10 | C29 | H29A | 69.2° | 177.6° |
| C12 | C10 | C29 | H29B | 172.2° | 64.4° |
| C12 | C10 | C9 | H9B | 64.9° | 56.7° |
| C12 | C10 | C9 | H9A | 176.4° | 175.2° |
| C33 | C6 | C7 | C31 | 68.4° | 68.2° |
| C33 | C6 | C34 | C2 | 75.7° | 74.4° |
| C33 | C6 | C34 | C7 | 120.9° | 115.7° |
| C33 | C6 | C34 | C5 | 118.7° | 120.3° |
| C33 | C6 | C7 | C5 | 118.5° | 117.1° |
| C33 | C6 | C7 | C8 | 54.3° | 58.2° |
| C33 | C6 | C7 | C30 | 173.3° | 175.1° |
| C33 | C6 | C5 | C4 | 73.5° | 72.2° |
| C6 | C33 | H33B | H33C | 120.0° | 120.0° |
| C6 | C33 | H33B | H33A | 120.0° | 120.0° |
| C6 | C33 | H33C | H33A | 120.0° | 120.0° |
| C33 | C6 | C34 | H34 | 169.5° | 167.4° |
| C33 | C6 | C5 | H5B | 165.9° | 47.6° |
| C33 | C6 | C5 | H5A | 47.1° | 167.8° |
| C31 | C7 | C6 | C34 | 52.7° | 49.3° |
| C31 | C7 | C6 | C8 | 122.7° | 126.5° |
| C31 | C7 | C6 | C30 | 118.3° | 116.7° |
| C31 | C7 | C6 | C5 | 173.0° | 174.7° |
| C31 | C7 | C8 | C30 | 115.8° | 116.8° |
| C31 | C7 | C8 | C9 | 42.9° | 40.9° |
| C7 | C31 | C12 | H12 | 62.0° | 69.2° |
| C31 | C7 | C30 | H30C | 180.0° | 60.0° |
| C31 | C7 | C30 | H30A | 60.0° | 179.9° |
| C31 | C7 | C30 | H30B | 60.0° | 60.0° |
| C7 | C31 | C32 | H32 | 170.2° | 179.9° |
| C31 | C7 | C8 | H8A | 77.8° | 84.0° |
| C31 | C7 | C8 | H8B | 163.6° | 159.1° |
| C29 | C10 | C9 | C8 | 174.5° | 175.9° |
| C29 | C10 | C11 | H11A | 60.4° | 60.2° |
| C29 | C10 | C11 | H11B | 59.6° | 59.8° |
| C29 | C10 | C11 | H11C | 179.6° | 179.8° |
| C29 | C10 | C12 | H12 | 60.8° | 61.1° |
| C10 | C29 | C28 | H28A | 172.7° | 175.7° |
| C10 | C29 | C28 | H28B | 69.0° | 66.6° |
| C10 | C29 | H29A | H29B | 117.9° | 118.8° |
| C29 | C10 | C9 | H9B | 53.8° | 62.4° |
| C29 | C10 | C9 | H9A | 64.8° | 56.0° |
| C10 | C9 | C8 | C7 | 51.3° | 55.7° |
| C10 | C9 | C8 | H9B | 120.7° | 121.1° |
| C10 | C9 | C8 | H9A | 120.7° | 119.6° |
| C9 | C10 | C11 | H11A | 60.9° | 60.0° |
| C9 | C10 | C11 | H11B | 179.1° | 180.0° |
| C9 | C10 | C11 | H11C | 59.1° | 59.9° |
| C9 | C10 | C12 | H12 | 59.3° | 58.1° |
| C9 | C10 | C29 | H29A | 49.4° | 64.3° |
| C9 | C10 | C29 | H29B | 69.3° | 53.7° |
| C10 | C9 | C8 | H8A | 69.4° | 71.7° |
| C10 | C9 | C8 | H8B | 172.0° | 174.1° |
| C10 | C9 | H9B | H9A | 117.9° | 118.6° |
| C2 | C34 | C6 | H34 | 114.9° | 118.2° |
| C34 | C2 | C54 | C3 | 114.3° | 116.5° |
| C34 | C2 | C54 | C53 | 168.9° | 174.6° |
| C2 | C34 | C6 | C7 | 163.4° | 169.9° |
| C2 | C34 | C6 | C5 | 43.0° | 45.9° |
| C34 | C2 | C3 | C4 | 58.8° | 62.3° |
| C34 | C2 | C3 | C37 | 167.2° | 168.0° |
| C34 | C2 | C1 | H1C | 180.0° | 76.0° |
| C34 | C2 | C1 | H1A | 60.0° | 44.0° |
| C34 | C2 | C1 | H1B | 60.0° | 164.0° |
| C34 | C2 | C3 | H3 | 52.8° | 50.7° |
| C34 | C2 | C54 | H54B | 70.7° | 65.1° |
| C34 | C2 | C54 | H54A | 48.4° | 54.5° |
| C6 | C34 | C2 | C54 | 163.5° | 168.7° |
| C6 | C34 | C2 | C3 | 48.4° | 51.7° |
| C34 | C6 | C7 | C5 | 120.4° | 125.4° |
| C34 | C6 | C7 | C8 | 175.4° | 175.8° |
| C34 | C6 | C7 | C30 | 65.6° | 67.4° |
| C34 | C6 | C5 | C4 | 47.0° | 48.6° |
| C34 | C6 | C33 | H33B | 180.0° | 64.4° |
| C34 | C6 | C33 | H33C | 60.0° | 175.6° |
| C34 | C6 | C33 | H33A | 60.0° | 55.6° |
| C34 | C6 | C5 | H5B | 73.6° | 168.4° |
| C34 | C6 | C5 | H5A | 167.6° | 71.4° |
| C2 | C54 | C53 | H54B | 120.5° | 120.0° |
| C2 | C54 | C53 | H54A | 120.5° | 119.6° |
| C2 | C54 | C53 | C40 | 59.5° | 63.0° |
| C54 | C2 | C3 | C4 | 174.2° | 178.8° |
| C54 | C2 | C3 | C37 | 51.8° | 51.5° |
| C54 | C2 | C1 | H1C | 60.5° | 165.3° |
| C54 | C2 | C1 | H1A | 179.5° | 74.7° |
| C54 | C2 | C1 | H1B | 59.5° | 45.3° |
| C54 | C2 | C3 | H3 | 62.6° | 65.9° |
| C54 | C2 | C34 | H34 | 48.6° | 49.0° |
| C2 | C54 | C53 | H53A | 60.7° | 178.3° |
| C2 | C54 | C53 | H53B | 179.7° | 60.0° |
| C2 | C54 | H54B | H54A | 118.6° | 119.1° |
| C53 | C54 | C2 | C3 | 54.6° | 58.2° |
| C54 | C53 | C40 | H53A | 120.2° | 118.6° |
| C54 | C53 | C40 | H53B | 120.2° | 123.4° |
| C54 | C53 | C40 | C37 | 58.1° | 57.8° |
| C54 | C53 | C40 | O41 | 179.4° | 178.8° |
| C54 | C53 | C40 | H40 | 61.4° | 62.6° |
| C54 | C53 | H53A | H53B | 119.4° | 120.6° |
| C53 | C54 | H54B | H54A | 118.6° | 120.5° |
| C2 | C3 | C37 | C38 | 72.8° | 77.8° |
| C2 | C3 | C4 | C37 | 135.5° | 131.4° |
| C2 | C3 | C4 | H3 | 111.4° | 113.0° |
| C2 | C3 | C37 | H3 | 114.4° | 116.9° |
| C2 | C3 | C4 | C5 | 66.9° | 67.2° |
| C2 | C3 | C37 | C40 | 49.4° | 47.1° |
| C2 | C3 | C37 | C39 | 166.8° | 164.0° |
| C3 | C2 | C1 | H1C | 58.9° | 45.5° |
| C3 | C2 | C1 | H1A | 61.1° | 165.4° |
| C3 | C2 | C1 | H1B | 178.9° | 74.5° |
| C3 | C2 | C34 | H34 | 66.5° | 68.1° |
| C2 | C3 | C4 | H4A | 53.0° | 54.2° |
| C2 | C3 | C4 | H4B | 173.2° | 175.5° |
| C3 | C2 | C54 | H54B | 175.1° | 178.5° |
| C3 | C2 | C54 | H54A | 65.9° | 61.9° |
| C6 | C7 | C8 | C30 | 122.4° | 117.6° |
| C6 | C7 | C8 | C9 | 164.6° | 166.5° |
| C7 | C6 | C5 | C4 | 166.2° | 171.9° |
| C6 | C7 | C30 | H30C | 60.0° | 179.9° |
| C6 | C7 | C30 | H30A | 60.0° | 60.1° |
| C6 | C7 | C30 | H30B | 180.0° | 59.9° |
| C7 | C6 | C33 | H33B | 60.4° | 177.7° |
| C7 | C6 | C33 | H33C | 59.6° | 57.7° |
| C7 | C6 | C33 | H33A | 179.6° | 62.3° |
| C7 | C6 | C34 | H34 | 48.6° | 51.7° |
| C7 | C6 | C5 | H5B | 45.6° | 68.3° |
| C7 | C6 | C5 | H5A | 73.2° | 51.9° |
| C6 | C7 | C8 | H8A | 43.9° | 41.6° |
| C6 | C7 | C8 | H8B | 74.7° | 75.3° |
| C5 | C6 | C7 | C8 | 64.2° | 58.9° |
| C5 | C6 | C7 | C30 | 54.8° | 58.0° |
| C6 | C5 | C4 | C3 | 60.3° | 59.0° |
| C6 | C5 | C4 | H5B | 120.6° | 120.5° |
| C6 | C5 | C4 | H5A | 120.6° | 122.6° |
| C5 | C6 | C33 | H33B | 59.8° | 58.9° |
| C5 | C6 | C33 | H33C | 179.8° | 61.2° |
| C5 | C6 | C33 | H33A | 60.2° | 178.9° |
| C5 | C6 | C34 | H34 | 71.9° | 72.3° |
| C6 | C5 | C4 | H4A | 59.6° | 63.4° |
| C6 | C5 | C4 | H4B | 179.8° | 177.8° |
| C6 | C5 | H5B | H5A | 118.1° | 122.2° |
| C53 | C40 | C37 | C38 | 73.7° | 77.6° |
| C53 | C40 | C37 | C3 | 51.1° | 48.9° |
| C53 | C40 | C37 | O41 | 122.7° | 121.2° |
| C53 | C40 | C37 | H40 | 119.7° | 120.6° |
| C53 | C40 | O41 | H40 | 117.4° | 119.0° |
| C53 | C40 | C37 | C39 | 169.1° | 166.9° |
| C53 | C40 | O41 | C42 | 113.1° | 81.3° |
| C40 | C53 | H53A | H53B | 119.5° | 120.0° |
| C40 | C53 | C54 | H54B | 180.0° | 177.0° |
| C40 | C53 | C54 | H54A | 60.9° | 56.5° |
| C7 | C8 | C9 | H8A | 120.7° | 127.3° |
| C7 | C8 | C9 | H8B | 120.7° | 118.5° |
| C8 | C7 | C30 | H30C | 61.1° | 61.0° |
| C8 | C7 | C30 | H30A | 178.9° | 59.0° |
| C8 | C7 | C30 | H30B | 58.9° | 179.0° |
| C7 | C8 | H8A | H8B | 117.8° | 118.0° |
| C7 | C8 | C9 | H9B | 69.4° | 65.5° |
| C7 | C8 | C9 | H9A | 172.0° | 175.3° |
| C30 | C7 | C8 | C9 | 72.9° | 75.8° |
| C7 | C30 | H30C | H30A | 120.0° | 120.0° |
| C7 | C30 | H30C | H30B | 120.0° | 120.0° |
| C7 | C30 | H30A | H30B | 120.0° | 120.0° |
| C30 | C7 | C8 | H8A | 166.3° | 159.2° |
| C30 | C7 | C8 | H8B | 47.8° | 42.3° |
| C9 | C8 | H8A | H8B | 117.7° | 115.1° |
| C8 | C9 | H9B | H9A | 118.0° | 119.6° |
| C38 | C37 | C3 | C4 | 59.5° | 50.2° |
| C38 | C37 | C3 | C40 | 122.3° | 124.9° |
| C38 | C37 | C3 | C39 | 120.3° | 118.3° |
| C38 | C37 | C40 | C39 | 117.2° | 115.5° |
| C38 | C37 | C40 | O41 | 49.0° | 43.6° |
| C38 | C37 | C3 | H3 | 172.7° | 165.3° |
| C37 | C38 | H38C | H38B | 120.0° | 120.0° |
| C37 | C38 | H38C | H38A | 120.0° | 120.0° |
| C37 | C38 | H38B | H38A | 120.0° | 120.0° |
| C38 | C37 | C39 | H39B | 180.0° | 68.6° |
| C38 | C37 | C39 | H39C | 60.0° | 51.3° |
| C38 | C37 | C39 | H39A | 60.0° | 171.4° |
| C38 | C37 | C40 | H40 | 166.6° | 161.8° |
| C4 | C3 | C37 | H3 | 113.2° | 115.1° |
| C3 | C4 | C5 | H4A | 119.9° | 122.5° |
| C3 | C4 | C5 | H4B | 119.9° | 118.8° |
| C4 | C3 | C37 | C40 | 178.2° | 175.1° |
| C4 | C3 | C37 | C39 | 60.8° | 68.1° |
| C3 | C4 | H4A | H4B | 120.3° | 122.0° |
| C3 | C4 | C5 | H5B | 60.3° | 179.5° |
| C3 | C4 | C5 | H5A | 179.1° | 63.5° |
| C37 | C3 | C4 | C5 | 157.6° | 161.4° |
| C3 | C37 | C40 | C39 | 118.0° | 118.0° |
| C3 | C37 | C40 | O41 | 173.8° | 170.1° |
| C3 | C37 | C38 | H38C | 180.0° | 66.4° |
| C3 | C37 | C38 | H38B | 60.0° | 173.6° |
| C3 | C37 | C38 | H38A | 60.0° | 53.6° |
| C3 | C37 | C39 | H39B | 55.7° | 53.4° |
| C3 | C37 | C39 | H39C | 64.4° | 173.3° |
| C3 | C37 | C39 | H39A | 175.7° | 66.6° |
| C37 | C3 | C4 | H4A | 82.5° | 77.2° |
| C37 | C3 | C4 | H4B | 37.7° | 44.1° |
| C3 | C37 | C40 | H40 | 68.6° | 71.7° |
| C5 | C4 | C3 | H3 | 44.5° | 45.8° |
| C5 | C4 | H4A | H4B | 120.3° | 118.1° |
| C4 | C5 | H5B | H5A | 118.1° | 116.3° |
| C37 | C40 | O41 | H40 | 116.8° | 118.4° |
| C37 | C40 | O41 | C42 | 121.1° | 156.2° |
| C40 | C37 | C3 | H3 | 65.0° | 69.8° |
| C40 | C37 | C38 | H38C | 59.2° | 59.5° |
| C40 | C37 | C38 | H38B | 179.2° | 60.5° |
| C40 | C37 | C38 | H38A | 60.8° | 179.5° |
| C40 | C37 | C39 | H39B | 61.1° | 173.9° |
| C40 | C37 | C39 | H39C | 178.9° | 66.2° |
| C40 | C37 | C39 | H39A | 58.9° | 53.8° |
| C37 | C40 | C53 | H53A | 62.1° | 176.4° |
| C37 | C40 | C53 | H53B | 178.3° | 65.6° |
| O41 | C40 | C37 | C39 | 68.2° | 71.9° |
| C40 | O41 | C42 | C43 | 178.6° | 166.1° |
| C40 | O41 | C42 | O52 | 60.7° | 74.0° |
| C40 | O41 | C42 | H42 | 60.7° | 46.0° |
| O41 | C40 | C53 | H53A | 60.4° | 62.6° |
| O41 | C40 | C53 | H53B | 59.2° | 55.4° |
| C39 | C37 | C3 | H3 | 52.4° | 47.0° |
| C39 | C37 | C38 | H38C | 58.6° | 174.6° |
| C39 | C37 | C38 | H38B | 61.4° | 54.6° |
| C39 | C37 | C38 | H38A | 178.6° | 65.4° |
| C37 | C39 | H39B | H39C | 120.0° | 120.0° |
| C37 | C39 | H39B | H39A | 120.0° | 120.0° |
| C37 | C39 | H39C | H39A | 120.0° | 120.1° |
| C39 | C37 | C40 | H40 | 49.4° | 46.3° |
| O41 | C42 | C43 | O52 | 119.8° | 120.0° |
| O41 | C42 | C43 | H42 | 119.0° | 120.1° |
| O41 | C42 | O52 | H42 | 121.5° | 120.1° |
| O41 | C42 | C43 | O44 | 131.2° | 177.7° |
| O41 | C42 | C43 | C45 | 106.7° | 62.4° |
| O41 | C42 | O52 | C49 | 166.7° | 58.8° |
| C42 | O41 | C40 | H40 | 4.3° | 37.8° |
| O41 | C42 | C43 | H43 | 11.4° | 57.7° |
| C43 | C42 | O52 | H42 | 120.3° | 120.0° |
| C42 | C43 | O44 | C45 | 122.0° | 119.7° |
| C42 | C43 | O44 | H43 | 119.0° | 120.0° |
| C42 | C43 | C45 | H43 | 118.1° | 120.0° |
| C43 | C42 | O52 | C49 | 48.5° | 61.2° |
| C42 | C43 | C45 | O46 | 179.9° | 176.9° |
| C42 | C43 | C45 | C47 | 59.3° | 57.0° |
| C42 | C43 | C45 | H45 | 60.0° | 63.0° |
| C42 | C43 | O44 | H44 | 180.0° | 59.9° |
| O52 | C42 | C43 | O44 | 109.0° | 62.3° |
| O52 | C42 | C43 | C45 | 13.1° | 57.6° |
| C42 | O52 | C49 | C50 | 61.2° | 178.9° |
| C42 | O52 | C49 | C47 | 63.3° | 61.2° |
| O52 | C42 | C43 | H43 | 131.3° | 177.6° |
| C42 | O52 | C49 | H49 | 178.4° | 58.8° |
| O44 | C43 | C45 | H43 | 119.8° | 120.1° |
| O44 | C43 | C45 | O46 | 58.0° | 57.0° |
| O44 | C43 | C45 | C47 | 62.8° | 62.9° |
| O44 | C43 | C42 | H42 | 12.2° | 57.7° |
| O44 | C43 | C45 | H45 | 177.9° | 177.1° |
| C43 | C45 | O46 | C47 | 121.7° | 119.6° |
| C43 | C45 | O46 | H45 | 119.1° | 120.1° |
| C43 | C45 | C47 | H45 | 119.3° | 119.9° |
| C43 | C45 | C47 | C49 | 44.9° | 57.0° |
| C43 | C45 | C47 | O48 | 164.8° | 176.9° |
| C45 | C43 | C42 | H42 | 134.3° | 177.6° |
| C43 | C45 | C47 | H47 | 74.5° | 62.9° |
| C45 | C43 | O44 | H44 | 57.9° | 179.6° |
| C43 | C45 | O46 | H46 | 180.0° | 60.0° |
| O52 | C49 | C47 | C45 | 12.3° | 57.7° |
| O52 | C49 | C50 | C47 | 122.7° | 119.9° |
| O52 | C49 | C50 | H49 | 117.8° | 120.1° |
| O52 | C49 | C50 | O51 | 165.0° | 65.0° |
| O52 | C49 | C47 | H49 | 119.0° | 120.1° |
| O52 | C49 | C47 | O48 | 108.4° | 177.5° |
| C49 | O52 | C42 | H42 | 71.8° | 178.8° |
| O52 | C49 | C47 | H47 | 131.7° | 62.2° |
| O52 | C49 | C50 | H50A | 74.8° | 174.9° |
| O52 | C49 | C50 | H50B | 44.7° | 54.9° |
| O46 | C45 | C47 | H45 | 120.0° | 120.2° |
| O46 | C45 | C47 | C49 | 165.6° | 176.9° |
| O46 | C45 | C47 | O48 | 74.4° | 63.2° |
| O46 | C45 | C43 | H43 | 61.8° | 63.2° |
| O46 | C45 | C47 | H47 | 46.3° | 56.9° |
| C45 | C47 | C49 | C50 | 109.0° | 177.6° |
| C45 | C47 | C49 | O48 | 120.7° | 119.9° |
| C45 | C47 | C49 | H47 | 119.4° | 119.9° |
| C45 | C47 | O48 | H47 | 119.9° | 120.2° |
| C47 | C45 | C43 | H43 | 177.4° | 176.9° |
| C45 | C47 | C49 | H49 | 131.4° | 62.4° |
| C47 | C45 | O46 | H46 | 58.3° | 179.6° |
| C45 | C47 | O48 | H48 | 180.0° | 60.0° |
| C49 | C50 | O51 | H50A | 120.2° | 120.0° |
| C49 | C50 | O51 | H50B | 120.2° | 120.0° |
| C50 | C49 | C47 | H49 | 119.7° | 120.0° |
| C50 | C49 | C47 | O48 | 130.3° | 62.5° |
| C50 | C49 | C47 | H47 | 10.4° | 57.7° |
| C49 | C50 | H50A | H50B | 119.2° | 120.0° |
| C49 | C50 | O51 | H51 | 180.0° | 180.0° |
| O51 | C50 | C49 | C47 | 72.4° | 175.1° |
| O51 | C50 | C49 | H49 | 47.2° | 55.1° |
| O51 | C50 | H50A | H50B | 119.3° | 120.0° |
| C49 | C47 | O48 | H47 | 119.0° | 120.2° |
| C49 | C47 | C45 | H45 | 74.4° | 62.9° |
| C47 | C49 | C50 | H50A | 47.8° | 55.0° |
| C47 | C49 | C50 | H50B | 167.3° | 65.0° |
| C49 | C47 | O48 | H48 | 58.9° | 179.6° |
| O48 | C47 | C45 | H45 | 45.6° | 57.0° |
| O48 | C47 | C49 | H49 | 10.7° | 57.5° |
| H1C | C1 | H1A | H1B | 120.0° | 119.9° |
| H11A | C11 | H11B | H11C | 120.0° | 119.9° |
| H12 | C12 | C13 | H13B | 178.8° | 57.0° |
| H12 | C12 | C13 | H13A | 62.5° | 175.3° |
| H15A | C15 | H15B | H15C | 120.0° | 120.1° |
| H16B | C16 | N17 | H17 | 53.9° | 120.0° |
| H16A | C16 | N17 | H17 | 172.3° | 120.0° |
| H20B | C20 | C21 | H21 | 56.6° | 174.9° |
| H20B | C20 | N19 | H19 | 136.2° | 120.1° |
| H20A | C20 | C21 | H21 | 175.6° | 65.2° |
| H20A | C20 | N19 | H19 | 17.3° | 120.0° |
| H21 | C21 | C22 | H22B | 126.1° | 57.0° |
| H21 | C21 | C22 | H22A | 6.5° | 177.1° |
| H21 | C21 | C26 | H26A | 51.9° | 177.2° |
| H21 | C21 | C26 | H26B | 169.9° | 57.0° |
| H22B | C22 | C23 | H23A | 53.1° | 57.6° |
| H22B | C22 | C23 | H23B | 66.3° | 62.4° |
| H22A | C22 | C23 | H23A | 172.8° | 177.7° |
| H22A | C22 | C23 | H23B | 53.3° | 57.7° |
| H25A | C25 | C26 | H26A | 37.3° | 57.7° |
| H25A | C25 | C26 | H26B | 155.2° | 62.5° |
| H25B | C25 | C26 | H26A | 82.0° | 177.8° |
| H25B | C25 | C26 | H26B | 35.9° | 57.5° |
| H28A | C28 | C29 | H29A | 52.0° | 64.8° |
| H28A | C28 | C29 | H29B | 66.6° | 54.1° |
| H28B | C28 | C29 | H29A | 170.3° | 52.9° |
| H28B | C28 | C29 | H29B | 51.6° | 171.8° |
| H3 | C3 | C4 | H4A | 164.4° | 167.2° |
| H3 | C3 | C4 | H4B | 75.3° | 71.5° |
| H30C | C30 | H30A | H30B | 120.0° | 120.0° |
| H33B | C33 | H33C | H33A | 120.0° | 120.0° |
| H38C | C38 | H38B | H38A | 120.0° | 120.1° |
| H39B | C39 | H39C | H39A | 120.0° | 120.0° |
| H4A | C4 | C5 | H5B | 179.8° | 57.1° |
| H4A | C4 | C5 | H5A | 61.0° | 174.0° |
| H4B | C4 | C5 | H5B | 59.6° | 61.6° |
| H4B | C4 | C5 | H5A | 59.2° | 55.3° |
| H40 | C40 | C53 | H53A | 178.4° | 56.0° |
| H40 | C40 | C53 | H53B | 58.8° | 174.0° |
| H42 | C42 | C43 | H43 | 107.6° | 62.4° |
| H43 | C43 | C45 | H45 | 58.1° | 57.0° |
| H43 | C43 | O44 | H44 | 61.1° | 60.1° |
| H45 | C45 | C47 | H47 | 166.2° | 177.2° |
| H45 | C45 | O46 | H46 | 60.9° | 60.1° |
| H47 | C47 | C49 | H49 | 109.2° | 177.7° |
| H47 | C47 | O48 | H48 | 60.1° | 60.2° |
| H49 | C49 | C50 | H50A | 167.4° | 65.0° |
| H49 | C49 | C50 | H50B | 73.1° | 175.0° |
| H50A | C50 | O51 | H51 | 59.8° | 59.9° |
| H50B | C50 | O51 | H51 | 59.7° | 60.1° |
| H53A | C53 | C54 | H54B | 59.8° | 58.3° |
| H53A | C53 | C54 | H54A | 178.8° | 62.1° |
| H53B | C53 | C54 | H54B | 59.8° | 59.9° |
| H53B | C53 | C54 | H54A | 59.3° | 179.6° |
| H8A | C8 | C9 | H9B | 169.9° | 167.2° |
| H8A | C8 | C9 | H9A | 51.2° | 48.0° |
| H8B | C8 | C9 | H9B | 51.4° | 53.0° |
| H8B | C8 | C9 | H9A | 67.3° | 66.2° |
