RYO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C38 | sing | 1.45Å | 1.42Å | |
| O13 | C31 | sing | 1.35Å | 1.35Å | |
| C29 | C8 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.47Å | 1.48Å | |
| C30 | C13 | doub | 1.33Å | 1.41Å | |
| C31 | O14 | doub | 1.22Å | 1.18Å | |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.50Å | 1.46Å | |
| O6 | C9 | sing | 1.43Å | 1.40Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | C28 | sing | 1.53Å | 1.52Å | |
| C37 | C36 | sing | 1.51Å | 1.52Å | |
| C11 | O7 | sing | 1.43Å | 1.43Å | |
| C36 | O5 | sing | 1.34Å | 1.37Å | |
| C36 | O12 | doub | 1.21Å | 1.20Å | |
| C9 | O4 | sing | 1.43Å | 1.44Å | |
| O5 | C7 | sing | 1.45Å | 1.42Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| O7 | C15 | sing | 1.43Å | 1.42Å | |
| O4 | C5 | sing | 1.43Å | 1.44Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| O2 | C1 | doub | 1.21Å | 1.22Å | |
| C16 | C17 | doub | 1.31Å | 1.31Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.34Å | 1.36Å | |
| O3 | C3 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| O1 | C25 | sing | 1.45Å | 1.43Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | O11 | sing | 1.43Å | 1.42Å | |
| C18 | C32 | sing | 1.53Å | 1.52Å | |
| C18 | C33 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.52Å | 1.55Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| O9 | C19 | sing | 1.43Å | 1.41Å | |
| O8 | C19 | sing | 1.43Å | 1.41Å | |
| O8 | C23 | sing | 1.43Å | 1.41Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | O10 | sing | 1.43Å | 1.41Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| O10 | C40 | sing | 1.35Å | 1.34Å | |
| C22 | C21 | sing | 1.50Å | 1.49Å | |
| C46 | C47 | sing | 1.53Å | 1.55Å | |
| C46 | C45 | sing | 1.53Å | 1.55Å | |
| C21 | C34 | doub | 1.33Å | 1.40Å | |
| C40 | O17 | doub | 1.22Å | 1.17Å | |
| C40 | C41 | sing | 1.42Å | 1.51Å | |
| C41 | C42 | doub | 1.35Å | 1.29Å | |
| C34 | C35 | sing | 1.47Å | 1.47Å | |
| C42 | C43 | sing | 1.46Å | 1.51Å | |
| C44 | C43 | doub | 1.33Å | 1.32Å | |
| C44 | C45 | sing | 1.51Å | 1.56Å | |
| C35 | O16 | doub | 1.22Å | 1.20Å | |
| C35 | O15 | sing | 1.35Å | 1.37Å | |
| O15 | C39 | sing | 1.45Å | 1.42Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27C | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C28 | H28C | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29C | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H32C | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C33 | H33C | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37C | sing | 1.09Å | 1.10Å | |
| C38 | H38C | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C39 | H39C | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | H45B | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C46 | H46B | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C47 | H47B | sing | 1.09Å | 1.10Å | |
| C47 | H47C | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O11 | H11A | sing | 0.97Å | 0.95Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| O9 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | O13 | C31 | 116.4° | 117.0° |
| O13 | C38 | H38C | 109.5° | 109.4° |
| O13 | C38 | H38A | 109.5° | 109.5° |
| O13 | C38 | H38B | 109.5° | 109.5° |
| O13 | C31 | C30 | 108.3° | 120.0° |
| O13 | C31 | O14 | 122.7° | 120.0° |
| C29 | C8 | C9 | 110.2° | 109.5° |
| C29 | C8 | C7 | 108.5° | 109.5° |
| C29 | C8 | C28 | 108.7° | 109.5° |
| C8 | C29 | H29C | 109.5° | 109.5° |
| C8 | C29 | H29B | 109.5° | 109.5° |
| C8 | C29 | H29A | 109.5° | 109.5° |
| C31 | C30 | C13 | 123.8° | 120.0° |
| C30 | C31 | O14 | 128.8° | 120.0° |
| C31 | C30 | H30 | 118.1° | 120.0° |
| C30 | C13 | C12 | 118.9° | 119.9° |
| C30 | C13 | C14 | 125.3° | 120.0° |
| C13 | C30 | H30 | 118.1° | 120.0° |
| C13 | C12 | C11 | 111.5° | 108.6° |
| C12 | C13 | C14 | 115.7° | 120.1° |
| C13 | C12 | H12B | 108.9° | 109.6° |
| C13 | C12 | H12A | 108.9° | 109.6° |
| C12 | C11 | C10 | 110.0° | 109.4° |
| C12 | C11 | O7 | 111.0° | 109.6° |
| C12 | C11 | H11 | 108.7° | 109.6° |
| C11 | C12 | H12B | 108.9° | 109.6° |
| C11 | C12 | H12A | 109.0° | 109.6° |
| C13 | C14 | C15 | 109.4° | 110.6° |
| C13 | C14 | H14B | 109.5° | 109.3° |
| C13 | C14 | H14A | 109.5° | 109.3° |
| O6 | C9 | C10 | 112.2° | 109.3° |
| O6 | C9 | C8 | 105.9° | 109.3° |
| O6 | C9 | O4 | 110.1° | 109.5° |
| C9 | O6 | H6 | 109.5° | 114.0° |
| C11 | C10 | C9 | 116.3° | 109.1° |
| C10 | C11 | O7 | 108.6° | 109.6° |
| C10 | C11 | H11 | 108.4° | 109.2° |
| C11 | C10 | H10A | 107.8° | 109.5° |
| C11 | C10 | H10B | 107.7° | 109.5° |
| C10 | C9 | C8 | 114.2° | 109.8° |
| C10 | C9 | O4 | 104.8° | 109.4° |
| C9 | C10 | H10A | 107.8° | 109.5° |
| C9 | C10 | H10B | 107.8° | 109.6° |
| C9 | C8 | C7 | 107.2° | 109.3° |
| C9 | C8 | C28 | 111.1° | 109.5° |
| C8 | C9 | O4 | 109.7° | 109.5° |
| C7 | C8 | C28 | 111.0° | 109.5° |
| C8 | C7 | O5 | 108.4° | 109.5° |
| C8 | C7 | C6 | 111.6° | 109.5° |
| C8 | C7 | H7A | 108.3° | 109.5° |
| C8 | C28 | H28C | 109.5° | 109.5° |
| C8 | C28 | H28B | 109.5° | 109.4° |
| C8 | C28 | H28A | 109.4° | 109.5° |
| C37 | C36 | O5 | 111.3° | 120.0° |
| C37 | C36 | O12 | 125.5° | 120.1° |
| C36 | C37 | H37B | 109.5° | 109.5° |
| C36 | C37 | H37A | 109.5° | 109.4° |
| C36 | C37 | H37C | 109.5° | 109.5° |
| C11 | O7 | C15 | 111.8° | 114.0° |
| O7 | C11 | H11 | 110.1° | 109.5° |
| O5 | C36 | O12 | 123.2° | 120.0° |
| C36 | O5 | C7 | 118.3° | 117.0° |
| C9 | O4 | C5 | 114.6° | 113.9° |
| O5 | C7 | C6 | 109.7° | 109.5° |
| O5 | C7 | H7A | 109.9° | 109.5° |
| C7 | C6 | C5 | 110.1° | 109.5° |
| C6 | C7 | H7A | 108.7° | 109.4° |
| C7 | C6 | H6B | 109.3° | 109.5° |
| C7 | C6 | H6A | 109.3° | 109.4° |
| C14 | C15 | O7 | 112.5° | 109.4° |
| C14 | C15 | C16 | 109.2° | 108.7° |
| C15 | C14 | H14B | 109.5° | 109.3° |
| C15 | C14 | H14A | 109.5° | 109.2° |
| C14 | C15 | H15 | 108.1° | 109.9° |
| O7 | C15 | C16 | 109.0° | 108.9° |
| O7 | C15 | H15 | 109.7° | 110.0° |
| O4 | C5 | C6 | 110.0° | 109.4° |
| O4 | C5 | C4 | 107.4° | 109.5° |
| O4 | C5 | H5 | 110.3° | 109.3° |
| C15 | C16 | C17 | 122.7° | 121.7° |
| C16 | C15 | H15 | 108.4° | 109.9° |
| C15 | C16 | H16 | 118.7° | 119.1° |
| C6 | C5 | C4 | 110.8° | 109.4° |
| C6 | C5 | H5 | 109.0° | 109.6° |
| C5 | C6 | H6B | 109.3° | 109.5° |
| C5 | C6 | H6A | 109.3° | 109.5° |
| C5 | C4 | C3 | 116.2° | 109.5° |
| C4 | C5 | H5 | 109.3° | 109.6° |
| C5 | C4 | H4A | 107.8° | 109.4° |
| C5 | C4 | H4B | 107.8° | 109.5° |
| O2 | C1 | C2 | 126.3° | 120.0° |
| O2 | C1 | O1 | 122.4° | 120.0° |
| C16 | C17 | C18 | 127.4° | 118.1° |
| C16 | C17 | H17 | 116.3° | 121.0° |
| C17 | C16 | H16 | 118.7° | 119.1° |
| C1 | C2 | C3 | 111.8° | 109.4° |
| C2 | C1 | O1 | 111.3° | 120.0° |
| C1 | C2 | H2A | 108.9° | 109.5° |
| C1 | C2 | H2B | 108.9° | 109.5° |
| C2 | C3 | C4 | 112.0° | 109.3° |
| C2 | C3 | O3 | 109.1° | 109.5° |
| C3 | C2 | H2A | 108.9° | 109.5° |
| C3 | C2 | H2B | 108.9° | 109.5° |
| C2 | C3 | H3A | 107.0° | 109.5° |
| C4 | C3 | O3 | 113.5° | 109.5° |
| C4 | C3 | H3A | 106.8° | 109.5° |
| C3 | C4 | H4A | 107.8° | 109.5° |
| C3 | C4 | H4B | 107.8° | 109.4° |
| C1 | O1 | C25 | 117.3° | 116.9° |
| O3 | C3 | H3A | 108.2° | 109.5° |
| C3 | O3 | H3 | 109.5° | 114.0° |
| C17 | C18 | C32 | 111.9° | 109.1° |
| C17 | C18 | C33 | 105.7° | 109.1° |
| C17 | C18 | C19 | 106.6° | 111.3° |
| C18 | C17 | H17 | 116.3° | 120.9° |
| O1 | C25 | C26 | 109.2° | 109.5° |
| O1 | C25 | C24 | 107.7° | 109.1° |
| O1 | C25 | H25 | 109.4° | 109.5° |
| C25 | C26 | C27 | 114.1° | 109.5° |
| C25 | C26 | O11 | 110.1° | 109.4° |
| C26 | C25 | C24 | 114.3° | 109.6° |
| C26 | C25 | H25 | 108.1° | 109.7° |
| C25 | C26 | H26 | 106.4° | 109.4° |
| C27 | C26 | O11 | 111.8° | 109.5° |
| C27 | C26 | H26 | 106.4° | 109.5° |
| C26 | C27 | H27A | 109.5° | 109.5° |
| C26 | C27 | H27C | 109.4° | 109.5° |
| C26 | C27 | H27B | 109.4° | 109.5° |
| O11 | C26 | H26 | 107.6° | 109.5° |
| C26 | O11 | H11A | 109.5° | 114.0° |
| C32 | C18 | C33 | 110.0° | 109.1° |
| C32 | C18 | C19 | 110.9° | 109.1° |
| C18 | C32 | H32C | 109.5° | 109.5° |
| C18 | C32 | H32A | 109.5° | 109.4° |
| C18 | C32 | H32B | 109.5° | 109.5° |
| C33 | C18 | C19 | 111.6° | 109.1° |
| C18 | C33 | H33C | 109.5° | 109.5° |
| C18 | C33 | H33A | 109.4° | 109.5° |
| C18 | C33 | H33B | 109.5° | 109.5° |
| C18 | C19 | O9 | 111.5° | 109.2° |
| C18 | C19 | O8 | 107.3° | 110.9° |
| C18 | C19 | C20 | 115.2° | 110.4° |
| C25 | C24 | C23 | 112.5° | 109.5° |
| C25 | C24 | H24A | 108.7° | 109.5° |
| C25 | C24 | H24B | 108.7° | 109.5° |
| C24 | C25 | H25 | 108.1° | 109.5° |
| O9 | C19 | O8 | 112.1° | 108.4° |
| O9 | C19 | C20 | 101.1° | 108.6° |
| C19 | O9 | H9 | 109.5° | 114.0° |
| C19 | O8 | C23 | 115.7° | 113.7° |
| O8 | C19 | C20 | 109.6° | 109.3° |
| O8 | C23 | C24 | 107.5° | 109.7° |
| O8 | C23 | C22 | 111.5° | 109.5° |
| O8 | C23 | H23 | 110.3° | 108.7° |
| C19 | C20 | O10 | 110.5° | 109.6° |
| C19 | C20 | C21 | 108.6° | 108.6° |
| C19 | C20 | H20 | 109.9° | 109.6° |
| C24 | C23 | C22 | 110.1° | 109.7° |
| C24 | C23 | H23 | 108.6° | 109.4° |
| C23 | C24 | H24A | 108.7° | 109.5° |
| C23 | C24 | H24B | 108.7° | 109.5° |
| C23 | C22 | C21 | 108.4° | 110.2° |
| C23 | C22 | H22B | 109.8° | 109.3° |
| C23 | C22 | H22A | 109.8° | 109.3° |
| C22 | C23 | H23 | 108.7° | 109.8° |
| O10 | C20 | C21 | 105.3° | 109.6° |
| C20 | O10 | C40 | 119.5° | 117.0° |
| O10 | C20 | H20 | 111.9° | 109.6° |
| C20 | C21 | C22 | 116.0° | 120.3° |
| C20 | C21 | C34 | 120.1° | 119.8° |
| C21 | C20 | H20 | 110.5° | 109.8° |
| O10 | C40 | O17 | 121.8° | 120.0° |
| O10 | C40 | C41 | 111.8° | 120.1° |
| C22 | C21 | C34 | 123.9° | 119.9° |
| C21 | C22 | H22B | 109.8° | 109.4° |
| C21 | C22 | H22A | 109.7° | 109.4° |
| C47 | C46 | C45 | 109.5° | 109.5° |
| C47 | C46 | H46B | 109.5° | 109.5° |
| C47 | C46 | H46A | 109.5° | 109.5° |
| C46 | C47 | H47B | 109.5° | 109.5° |
| C46 | C47 | H47C | 109.5° | 109.4° |
| C46 | C47 | H47A | 109.5° | 109.5° |
| C46 | C45 | C44 | 113.7° | 109.4° |
| C46 | C45 | H45B | 108.4° | 109.4° |
| C46 | C45 | H45A | 108.4° | 109.5° |
| C45 | C46 | H46B | 109.5° | 109.5° |
| C45 | C46 | H46A | 109.4° | 109.5° |
| C21 | C34 | C35 | 125.9° | 120.0° |
| C21 | C34 | H34 | 117.0° | 120.0° |
| O17 | C40 | C41 | 126.3° | 120.0° |
| C40 | C41 | C42 | 121.1° | 120.0° |
| C40 | C41 | H41 | 119.5° | 119.9° |
| C41 | C42 | C43 | 118.2° | 120.0° |
| C42 | C41 | H41 | 119.5° | 120.0° |
| C41 | C42 | H42 | 120.9° | 120.0° |
| C34 | C35 | O16 | 129.1° | 120.0° |
| C34 | C35 | O15 | 108.6° | 120.0° |
| C35 | C34 | H34 | 117.0° | 120.0° |
| C42 | C43 | C44 | 119.6° | 120.0° |
| C43 | C42 | H42 | 120.9° | 120.0° |
| C42 | C43 | H43 | 120.3° | 120.0° |
| C43 | C44 | C45 | 120.7° | 120.0° |
| C44 | C43 | H43 | 120.2° | 120.1° |
| C43 | C44 | H44 | 119.6° | 120.0° |
| C45 | C44 | H44 | 119.6° | 120.0° |
| C44 | C45 | H45B | 108.4° | 109.5° |
| C44 | C45 | H45A | 108.4° | 109.5° |
| O16 | C35 | O15 | 122.2° | 120.0° |
| C35 | O15 | C39 | 113.8° | 117.0° |
| O15 | C39 | H39C | 109.5° | 109.5° |
| O15 | C39 | H39B | 109.5° | 109.5° |
| O15 | C39 | H39A | 109.5° | 109.5° |
| H2A | C2 | H2B | 109.4° | 109.4° |
| H14B | C14 | H14A | 109.5° | 109.2° |
| H22B | C22 | H22A | 109.4° | 109.4° |
| H10A | C10 | H10B | 109.5° | 109.6° |
| H12B | C12 | H12A | 109.5° | 109.7° |
| H24A | C24 | H24B | 109.5° | 109.4° |
| H27A | C27 | H27C | 109.5° | 109.5° |
| H27A | C27 | H27B | 109.5° | 109.5° |
| H27C | C27 | H27B | 109.5° | 109.4° |
| H28C | C28 | H28B | 109.5° | 109.4° |
| H28C | C28 | H28A | 109.5° | 109.5° |
| H28B | C28 | H28A | 109.5° | 109.5° |
| H29C | C29 | H29B | 109.5° | 109.4° |
| H29C | C29 | H29A | 109.5° | 109.5° |
| H29B | C29 | H29A | 109.5° | 109.5° |
| H32C | C32 | H32A | 109.5° | 109.4° |
| H32C | C32 | H32B | 109.5° | 109.5° |
| H32A | C32 | H32B | 109.5° | 109.5° |
| H33C | C33 | H33A | 109.5° | 109.4° |
| H33C | C33 | H33B | 109.5° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.4° |
| H37B | C37 | H37A | 109.5° | 109.5° |
| H37B | C37 | H37C | 109.4° | 109.5° |
| H37A | C37 | H37C | 109.5° | 109.4° |
| H38C | C38 | H38A | 109.5° | 109.5° |
| H38C | C38 | H38B | 109.4° | 109.5° |
| H38A | C38 | H38B | 109.5° | 109.5° |
| H39C | C39 | H39B | 109.4° | 109.5° |
| H39C | C39 | H39A | 109.5° | 109.5° |
| H39B | C39 | H39A | 109.5° | 109.4° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| H45B | C45 | H45A | 109.5° | 109.5° |
| H46B | C46 | H46A | 109.5° | 109.5° |
| H47B | C47 | H47C | 109.5° | 109.4° |
| H47B | C47 | H47A | 109.5° | 109.5° |
| H47C | C47 | H47A | 109.5° | 109.5° |
| H6B | C6 | H6A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | O13 | C31 | C30 | 174.7° | 180.0° |
| C38 | O13 | C31 | O14 | 2.0° | 0.0° |
| O13 | C38 | H38C | H38A | 120.0° | 120.0° |
| O13 | C38 | H38C | H38B | 120.0° | 120.0° |
| O13 | C38 | H38A | H38B | 120.0° | 120.0° |
| O13 | C31 | C30 | O14 | 176.4° | 180.0° |
| O13 | C31 | C30 | C13 | 169.7° | 168.0° |
| O13 | C31 | C30 | H30 | 10.3° | 12.0° |
| C31 | O13 | C38 | H38C | 180.0° | 60.0° |
| C31 | O13 | C38 | H38A | 60.0° | 60.0° |
| C31 | O13 | C38 | H38B | 60.0° | 180.0° |
| C29 | C8 | C9 | O6 | 56.8° | 57.2° |
| C29 | C8 | C9 | C10 | 67.2° | 62.6° |
| C29 | C8 | C9 | C7 | 117.9° | 120.0° |
| C29 | C8 | C9 | C28 | 120.6° | 120.1° |
| C29 | C8 | C7 | C28 | 119.4° | 120.1° |
| C29 | C8 | C9 | O4 | 175.6° | 177.2° |
| C29 | C8 | C7 | O5 | 63.0° | 64.1° |
| C29 | C8 | C7 | C6 | 176.0° | 175.9° |
| C29 | C8 | C7 | H7A | 56.3° | 56.0° |
| C29 | C8 | C28 | H28C | 180.0° | 60.0° |
| C29 | C8 | C28 | H28B | 60.0° | 180.0° |
| C29 | C8 | C28 | H28A | 60.0° | 60.0° |
| C8 | C29 | H29C | H29B | 120.0° | 120.0° |
| C8 | C29 | H29C | H29A | 120.0° | 120.0° |
| C8 | C29 | H29B | H29A | 120.0° | 120.0° |
| C31 | C30 | C13 | H30 | 180.0° | 180.0° |
| C31 | C30 | C13 | C12 | 179.5° | 164.7° |
| C31 | C30 | C13 | C14 | 4.2° | 15.2° |
| C13 | C30 | C31 | O14 | 6.7° | 11.9° |
| C30 | C13 | C12 | C14 | 175.8° | 179.9° |
| C30 | C13 | C12 | C11 | 129.3° | 139.4° |
| C30 | C13 | C14 | C15 | 129.2° | 140.9° |
| C30 | C13 | C14 | H14B | 110.9° | 98.8° |
| C30 | C13 | C14 | H14A | 9.2° | 20.6° |
| C30 | C13 | C12 | H12B | 9.0° | 100.9° |
| C30 | C13 | C12 | H12A | 110.4° | 19.6° |
| O14 | C31 | C30 | H30 | 173.3° | 168.1° |
| C13 | C12 | C11 | H12B | 120.3° | 119.7° |
| C13 | C12 | C11 | H12A | 120.3° | 119.7° |
| C13 | C12 | C11 | C10 | 171.0° | 170.7° |
| C13 | C12 | C11 | O7 | 50.8° | 50.5° |
| C12 | C13 | C14 | C15 | 46.3° | 39.2° |
| C13 | C12 | C11 | H11 | 70.4° | 69.6° |
| C12 | C13 | C14 | H14B | 73.7° | 81.1° |
| C12 | C13 | C14 | H14A | 166.3° | 159.4° |
| C13 | C12 | H12B | H12A | 119.0° | 120.4° |
| C12 | C13 | C30 | H30 | 0.5° | 15.3° |
| C11 | C12 | C13 | C14 | 46.5° | 40.7° |
| C12 | C11 | C10 | O7 | 121.7° | 120.2° |
| C12 | C11 | C10 | H11 | 118.7° | 120.0° |
| C12 | C11 | C10 | C9 | 144.1° | 123.3° |
| C12 | C11 | O7 | H11 | 120.4° | 120.2° |
| C12 | C11 | O7 | C15 | 59.3° | 67.2° |
| C12 | C11 | C10 | H10A | 23.1° | 116.8° |
| C12 | C11 | C10 | H10B | 94.9° | 3.4° |
| C11 | C12 | H12B | H12A | 119.1° | 120.5° |
| C13 | C14 | C15 | H14B | 120.0° | 120.3° |
| C13 | C14 | C15 | H14A | 120.0° | 120.3° |
| C13 | C14 | C15 | O7 | 53.0° | 46.6° |
| C13 | C14 | C15 | C16 | 174.0° | 165.4° |
| C13 | C14 | H14B | H14A | 120.1° | 119.5° |
| C13 | C14 | C15 | H15 | 68.3° | 74.2° |
| C14 | C13 | C12 | H12B | 166.8° | 79.1° |
| C14 | C13 | C12 | H12A | 73.9° | 160.4° |
| C14 | C13 | C30 | H30 | 175.8° | 164.8° |
| O6 | C9 | C10 | C11 | 63.9° | 7.6° |
| O6 | C9 | C10 | C8 | 120.5° | 119.9° |
| O6 | C9 | C10 | O4 | 119.5° | 120.0° |
| O6 | C9 | C8 | O4 | 118.8° | 120.0° |
| O6 | C9 | C8 | C7 | 61.1° | 62.7° |
| O6 | C9 | C8 | C28 | 177.4° | 177.3° |
| O6 | C9 | O4 | C5 | 54.9° | 58.3° |
| O6 | C9 | C10 | H10A | 57.1° | 112.3° |
| O6 | C9 | C10 | H10B | 175.1° | 127.5° |
| C11 | C10 | C9 | H10A | 121.0° | 119.9° |
| C11 | C10 | C9 | H10B | 121.0° | 119.9° |
| C11 | C10 | C9 | C8 | 175.6° | 112.3° |
| C10 | C11 | O7 | H11 | 118.5° | 119.7° |
| C11 | C10 | C9 | O4 | 55.6° | 127.5° |
| C10 | C11 | O7 | C15 | 179.6° | 172.7° |
| C11 | C10 | H10A | H10B | 116.9° | 120.2° |
| C10 | C11 | C12 | H12B | 68.7° | 51.0° |
| C10 | C11 | C12 | H12A | 50.7° | 69.6° |
| C10 | C9 | C8 | O4 | 117.2° | 120.2° |
| C10 | C9 | C8 | C7 | 174.9° | 177.4° |
| C10 | C9 | C8 | C28 | 53.4° | 57.4° |
| C9 | C10 | C11 | O7 | 94.2° | 116.5° |
| C10 | C9 | O4 | C5 | 175.8° | 178.1° |
| C9 | C10 | C11 | H11 | 25.3° | 3.3° |
| C9 | C10 | H10A | H10B | 116.9° | 120.2° |
| C10 | C9 | O6 | H6 | 180.0° | 59.9° |
| C9 | C8 | C7 | C28 | 121.6° | 119.9° |
| C9 | C8 | C7 | O5 | 178.0° | 175.9° |
| C9 | C8 | C7 | C6 | 56.9° | 55.9° |
| C8 | C9 | O4 | C5 | 61.2° | 61.5° |
| C9 | C8 | C7 | H7A | 62.8° | 64.0° |
| C8 | C9 | C10 | H10A | 63.4° | 127.8° |
| C8 | C9 | C10 | H10B | 54.7° | 7.6° |
| C9 | C8 | C28 | H28C | 58.5° | 60.0° |
| C9 | C8 | C28 | H28B | 178.5° | 59.9° |
| C9 | C8 | C28 | H28A | 61.5° | 179.9° |
| C9 | C8 | C29 | H29C | 180.0° | 60.0° |
| C9 | C8 | C29 | H29B | 60.0° | 180.0° |
| C9 | C8 | C29 | H29A | 60.0° | 60.0° |
| C8 | C9 | O6 | H6 | 54.8° | 179.9° |
| C8 | C7 | O5 | C36 | 153.7° | 150.0° |
| C7 | C8 | C9 | O4 | 57.7° | 57.2° |
| C8 | C7 | O5 | C6 | 122.2° | 120.0° |
| C8 | C7 | O5 | H7A | 118.3° | 120.0° |
| C8 | C7 | C6 | H7A | 119.5° | 120.0° |
| C8 | C7 | C6 | C5 | 55.6° | 56.0° |
| C7 | C8 | C28 | H28C | 60.7° | 179.9° |
| C7 | C8 | C28 | H28B | 59.3° | 60.0° |
| C7 | C8 | C28 | H28A | 179.3° | 60.1° |
| C7 | C8 | C29 | H29C | 62.8° | 179.9° |
| C7 | C8 | C29 | H29B | 57.2° | 60.1° |
| C7 | C8 | C29 | H29A | 177.2° | 59.8° |
| C8 | C7 | C6 | H6B | 175.7° | 64.0° |
| C8 | C7 | C6 | H6A | 64.5° | 176.0° |
| C28 | C8 | C9 | O4 | 63.8° | 62.7° |
| C28 | C8 | C7 | O5 | 56.4° | 56.0° |
| C28 | C8 | C7 | C6 | 64.6° | 64.0° |
| C28 | C8 | C7 | H7A | 175.7° | 176.0° |
| C8 | C28 | H28C | H28B | 120.0° | 119.9° |
| C8 | C28 | H28C | H28A | 120.0° | 120.1° |
| C8 | C28 | H28B | H28A | 120.0° | 120.0° |
| C28 | C8 | C29 | H29C | 58.0° | 60.0° |
| C28 | C8 | C29 | H29B | 178.0° | 59.9° |
| C28 | C8 | C29 | H29A | 62.0° | 179.9° |
| C37 | C36 | O5 | O12 | 178.2° | 180.0° |
| C37 | C36 | O5 | C7 | 179.9° | 180.0° |
| C36 | C37 | H37B | H37A | 120.0° | 120.0° |
| C36 | C37 | H37B | H37C | 120.0° | 120.0° |
| C36 | C37 | H37A | H37C | 120.0° | 119.9° |
| C11 | O7 | C15 | C14 | 61.1° | 64.4° |
| C11 | O7 | C15 | C16 | 177.7° | 176.9° |
| C11 | O7 | C15 | H15 | 59.2° | 56.4° |
| O7 | C11 | C10 | H10A | 144.8° | 3.4° |
| O7 | C11 | C10 | H10B | 26.8° | 123.6° |
| O7 | C11 | C12 | H12B | 171.1° | 69.2° |
| O7 | C11 | C12 | H12A | 69.6° | 170.3° |
| C36 | O5 | C7 | C6 | 84.1° | 90.0° |
| C36 | O5 | C7 | H7A | 35.5° | 29.9° |
| O5 | C36 | C37 | H37B | 178.1° | 60.0° |
| O5 | C36 | C37 | H37A | 61.9° | 180.0° |
| O5 | C36 | C37 | H37C | 58.2° | 60.1° |
| O12 | C36 | O5 | C7 | 1.7° | 0.0° |
| O12 | C36 | C37 | H37B | 0.0° | 120.0° |
| O12 | C36 | C37 | H37A | 120.0° | 0.1° |
| O12 | C36 | C37 | H37C | 120.0° | 120.0° |
| C9 | O4 | C5 | C6 | 58.3° | 61.4° |
| C9 | O4 | C5 | C4 | 179.0° | 178.6° |
| C9 | O4 | C5 | H5 | 61.9° | 58.6° |
| O4 | C9 | C10 | H10A | 176.6° | 7.6° |
| O4 | C9 | C10 | H10B | 65.4° | 112.6° |
| O4 | C9 | O6 | H6 | 63.7° | 59.9° |
| O5 | C7 | C6 | H7A | 120.3° | 120.0° |
| O5 | C7 | C6 | C5 | 175.9° | 176.0° |
| O5 | C7 | C6 | H6B | 64.0° | 56.0° |
| O5 | C7 | C6 | H6A | 55.8° | 64.0° |
| C7 | C6 | C5 | O4 | 53.7° | 57.3° |
| C7 | C6 | C5 | H6B | 120.1° | 120.0° |
| C7 | C6 | C5 | H6A | 120.1° | 119.9° |
| C7 | C6 | C5 | C4 | 172.3° | 177.2° |
| C7 | C6 | C5 | H5 | 67.3° | 62.5° |
| C7 | C6 | H6B | H6A | 119.7° | 119.9° |
| C14 | C15 | O7 | C16 | 121.2° | 118.7° |
| C14 | C15 | O7 | H15 | 120.3° | 120.8° |
| C14 | C15 | C16 | H15 | 117.5° | 120.4° |
| C14 | C15 | C16 | C17 | 106.1° | 134.0° |
| C15 | C14 | H14B | H14A | 120.0° | 119.4° |
| C14 | C15 | C16 | H16 | 73.9° | 46.0° |
| O7 | C15 | C16 | H15 | 119.3° | 120.5° |
| O7 | C15 | C16 | C17 | 130.7° | 106.9° |
| C15 | O7 | C11 | H11 | 61.1° | 53.1° |
| O7 | C15 | C14 | H14B | 67.0° | 73.7° |
| O7 | C15 | C14 | H14A | 173.0° | 166.9° |
| O7 | C15 | C16 | H16 | 49.2° | 73.1° |
| O4 | C5 | C6 | C4 | 118.6° | 120.0° |
| O4 | C5 | C6 | H5 | 121.0° | 119.8° |
| O4 | C5 | C4 | H5 | 119.7° | 119.9° |
| O4 | C5 | C4 | C3 | 50.4° | 98.8° |
| O4 | C5 | C4 | H4A | 171.4° | 21.1° |
| O4 | C5 | C4 | H4B | 70.6° | 141.2° |
| O4 | C5 | C6 | H6B | 173.8° | 62.8° |
| O4 | C5 | C6 | H6A | 66.4° | 177.2° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 176.0° | 179.4° |
| C16 | C15 | C14 | H14B | 54.1° | 45.1° |
| C16 | C15 | C14 | H14A | 66.0° | 74.3° |
| C15 | C16 | C17 | H17 | 4.0° | 0.7° |
| C6 | C5 | C4 | H5 | 120.1° | 120.2° |
| C6 | C5 | C4 | C3 | 170.6° | 141.3° |
| C5 | C6 | C7 | H7A | 63.9° | 64.0° |
| C6 | C5 | C4 | H4A | 68.4° | 98.7° |
| C6 | C5 | C4 | H4B | 49.6° | 21.3° |
| C5 | C6 | H6B | H6A | 119.7° | 120.1° |
| C5 | C4 | C3 | C2 | 46.6° | 90.9° |
| C5 | C4 | C3 | H4A | 121.0° | 120.0° |
| C5 | C4 | C3 | H4B | 121.0° | 120.0° |
| C5 | C4 | C3 | O3 | 77.5° | 149.2° |
| C5 | C4 | C3 | H3A | 163.4° | 29.1° |
| C5 | C4 | H4A | H4B | 117.0° | 120.0° |
| C4 | C5 | C6 | H6B | 67.6° | 57.2° |
| C4 | C5 | C6 | H6A | 52.2° | 62.9° |
| O2 | C1 | C2 | O1 | 179.6° | 179.8° |
| O2 | C1 | C2 | C3 | 115.4° | 40.1° |
| O2 | C1 | O1 | C25 | 1.3° | 0.2° |
| O2 | C1 | C2 | H2A | 124.3° | 79.9° |
| O2 | C1 | C2 | H2B | 5.0° | 160.1° |
| C16 | C17 | C18 | H17 | 180.0° | 179.8° |
| C16 | C17 | C18 | C32 | 6.3° | 49.9° |
| C16 | C17 | C18 | C33 | 126.1° | 69.2° |
| C16 | C17 | C18 | C19 | 115.1° | 170.3° |
| C17 | C16 | C15 | H15 | 11.4° | 13.6° |
| C1 | C2 | C3 | H2A | 120.4° | 120.0° |
| C1 | C2 | C3 | H2B | 120.4° | 120.0° |
| C1 | C2 | C3 | C4 | 173.0° | 134.2° |
| C1 | C2 | C3 | O3 | 60.5° | 105.9° |
| C2 | C1 | O1 | C25 | 178.3° | 179.6° |
| C1 | C2 | H2A | H2B | 119.0° | 120.0° |
| C1 | C2 | C3 | H3A | 56.3° | 14.2° |
| C2 | C3 | C4 | O3 | 124.1° | 120.0° |
| C2 | C3 | C4 | H3A | 116.8° | 120.0° |
| C3 | C2 | C1 | O1 | 64.2° | 140.1° |
| C2 | C3 | O3 | H3A | 116.0° | 120.1° |
| C3 | C2 | H2A | H2B | 118.9° | 120.1° |
| C2 | C3 | C4 | H4A | 74.4° | 29.1° |
| C2 | C3 | C4 | H4B | 167.6° | 149.1° |
| C2 | C3 | O3 | H3 | 180.0° | 60.0° |
| C4 | C3 | O3 | H3A | 118.3° | 120.1° |
| C4 | C3 | C2 | H2A | 52.6° | 14.2° |
| C4 | C3 | C2 | H2B | 66.6° | 105.8° |
| C3 | C4 | C5 | H5 | 69.3° | 21.0° |
| C3 | C4 | H4A | H4B | 116.9° | 120.0° |
| C4 | C3 | O3 | H3 | 54.3° | 179.8° |
| C1 | O1 | C25 | C26 | 93.5° | 67.4° |
| C1 | O1 | C25 | C24 | 142.0° | 172.8° |
| O1 | C1 | C2 | H2A | 56.1° | 99.9° |
| O1 | C1 | C2 | H2B | 175.4° | 20.0° |
| C1 | O1 | C25 | H25 | 24.7° | 52.9° |
| O3 | C3 | C2 | H2A | 179.1° | 134.1° |
| O3 | C3 | C2 | H2B | 59.9° | 14.2° |
| O3 | C3 | C4 | H4A | 161.5° | 90.9° |
| O3 | C3 | C4 | H4B | 43.4° | 29.2° |
| C17 | C18 | C32 | C33 | 117.2° | 119.2° |
| C17 | C18 | C32 | C19 | 118.9° | 121.7° |
| C17 | C18 | C33 | C19 | 115.5° | 121.8° |
| C17 | C18 | C19 | O9 | 58.0° | 174.4° |
| C17 | C18 | C19 | O8 | 65.1° | 55.0° |
| C17 | C18 | C19 | C20 | 172.4° | 66.3° |
| C18 | C17 | C16 | H16 | 4.1° | 0.5° |
| C17 | C18 | C32 | H32C | 180.0° | 60.1° |
| C17 | C18 | C32 | H32A | 60.0° | 180.0° |
| C17 | C18 | C32 | H32B | 60.0° | 60.0° |
| C17 | C18 | C33 | H33C | 180.0° | 60.0° |
| C17 | C18 | C33 | H33A | 60.0° | 180.0° |
| C17 | C18 | C33 | H33B | 60.0° | 60.0° |
| O1 | C25 | C26 | C24 | 120.6° | 119.6° |
| O1 | C25 | C26 | H25 | 118.9° | 120.2° |
| O1 | C25 | C26 | C27 | 56.9° | 53.0° |
| O1 | C25 | C26 | O11 | 176.4° | 173.0° |
| O1 | C25 | C24 | H25 | 118.1° | 119.8° |
| O1 | C25 | C24 | C23 | 54.9° | 132.5° |
| O1 | C25 | C24 | H24A | 175.3° | 12.5° |
| O1 | C25 | C24 | H24B | 65.6° | 107.5° |
| O1 | C25 | C26 | H26 | 60.1° | 67.0° |
| C25 | C26 | C27 | O11 | 125.7° | 120.0° |
| C25 | C26 | C27 | H26 | 117.0° | 120.0° |
| C25 | C26 | O11 | H26 | 115.6° | 119.9° |
| C26 | C25 | C24 | H25 | 120.5° | 120.3° |
| C26 | C25 | C24 | C23 | 176.3° | 107.7° |
| C26 | C25 | C24 | H24A | 63.3° | 132.3° |
| C26 | C25 | C24 | H24B | 55.8° | 12.4° |
| C25 | C26 | C27 | H27A | 180.0° | 58.9° |
| C25 | C26 | C27 | H27C | 60.0° | 178.9° |
| C25 | C26 | C27 | H27B | 60.0° | 61.1° |
| C25 | C26 | O11 | H11A | 180.0° | 79.2° |
| C27 | C26 | O11 | H26 | 116.5° | 120.1° |
| C27 | C26 | C25 | C24 | 63.6° | 66.5° |
| C27 | C26 | C25 | H25 | 175.9° | 173.2° |
| C26 | C27 | H27A | H27C | 120.0° | 120.0° |
| C26 | C27 | H27A | H27B | 120.0° | 120.0° |
| C26 | C27 | H27C | H27B | 120.0° | 120.0° |
| C27 | C26 | O11 | H11A | 52.1° | 160.8° |
| O11 | C26 | C25 | C24 | 63.0° | 53.5° |
| O11 | C26 | C25 | H25 | 57.5° | 66.8° |
| O11 | C26 | C27 | H27A | 54.3° | 61.0° |
| O11 | C26 | C27 | H27C | 174.3° | 59.0° |
| O11 | C26 | C27 | H27B | 65.7° | 178.9° |
| C32 | C18 | C33 | C19 | 123.5° | 119.1° |
| C32 | C18 | C19 | O9 | 64.0° | 54.0° |
| C32 | C18 | C19 | O8 | 172.8° | 65.4° |
| C32 | C18 | C19 | C20 | 50.4° | 173.3° |
| C32 | C18 | C17 | H17 | 173.7° | 129.9° |
| C18 | C32 | H32C | H32A | 120.0° | 119.9° |
| C18 | C32 | H32C | H32B | 120.0° | 120.1° |
| C18 | C32 | H32A | H32B | 120.0° | 120.0° |
| C32 | C18 | C33 | H33C | 59.0° | 179.2° |
| C32 | C18 | C33 | H33A | 61.0° | 60.8° |
| C32 | C18 | C33 | H33B | 179.0° | 59.1° |
| C33 | C18 | C19 | O9 | 172.9° | 65.1° |
| C33 | C18 | C19 | O8 | 49.8° | 175.4° |
| C33 | C18 | C19 | C20 | 72.7° | 54.2° |
| C33 | C18 | C17 | H17 | 53.9° | 111.0° |
| C33 | C18 | C32 | H32C | 62.8° | 59.1° |
| C33 | C18 | C32 | H32A | 177.2° | 60.8° |
| C33 | C18 | C32 | H32B | 57.2° | 179.1° |
| C18 | C33 | H33C | H33A | 120.0° | 120.0° |
| C18 | C33 | H33C | H33B | 120.0° | 120.0° |
| C18 | C33 | H33A | H33B | 120.0° | 120.0° |
| C18 | C19 | O9 | O8 | 120.4° | 121.0° |
| C18 | C19 | O9 | C20 | 122.9° | 120.4° |
| C18 | C19 | O8 | C20 | 125.8° | 121.9° |
| C18 | C19 | O8 | C23 | 173.9° | 170.7° |
| C18 | C19 | C20 | O10 | 58.8° | 53.1° |
| C18 | C19 | C20 | C21 | 173.8° | 172.8° |
| C19 | C18 | C17 | H17 | 64.9° | 9.5° |
| C18 | C19 | C20 | H20 | 65.2° | 67.2° |
| C19 | C18 | C32 | H32C | 61.1° | 178.2° |
| C19 | C18 | C32 | H32A | 58.9° | 58.3° |
| C19 | C18 | C32 | H32B | 178.9° | 61.8° |
| C19 | C18 | C33 | H33C | 64.5° | 61.8° |
| C19 | C18 | C33 | H33A | 175.5° | 58.2° |
| C19 | C18 | C33 | H33B | 55.5° | 178.2° |
| C18 | C19 | O9 | H9 | 180.0° | 180.0° |
| C25 | C24 | C23 | O8 | 53.3° | 45.5° |
| C25 | C24 | C23 | H24A | 120.5° | 120.0° |
| C25 | C24 | C23 | H24B | 120.5° | 120.0° |
| C25 | C24 | C23 | C22 | 175.0° | 74.9° |
| C25 | C24 | C23 | H23 | 66.0° | 164.6° |
| C25 | C24 | H24A | H24B | 118.6° | 119.9° |
| C24 | C25 | C26 | H26 | 179.3° | 173.4° |
| O9 | C19 | O8 | C20 | 111.4° | 118.2° |
| O9 | C19 | O8 | C23 | 51.1° | 50.9° |
| O9 | C19 | C20 | O10 | 179.1° | 172.8° |
| O9 | C19 | C20 | C21 | 65.8° | 67.6° |
| O9 | C19 | C20 | H20 | 55.1° | 52.4° |
| C19 | O8 | C23 | C24 | 179.2° | 174.3° |
| C19 | O8 | C23 | C22 | 59.9° | 65.2° |
| O8 | C19 | C20 | O10 | 62.4° | 69.1° |
| O8 | C19 | C20 | C21 | 52.6° | 50.6° |
| O8 | C19 | C20 | H20 | 173.6° | 170.5° |
| C19 | O8 | C23 | H23 | 61.0° | 54.7° |
| O8 | C19 | O9 | H9 | 59.6° | 59.0° |
| C23 | O8 | C19 | C20 | 60.3° | 67.4° |
| O8 | C23 | C24 | C22 | 121.7° | 120.4° |
| O8 | C23 | C24 | H23 | 119.3° | 119.1° |
| O8 | C23 | C22 | H23 | 121.8° | 119.3° |
| O8 | C23 | C22 | C21 | 50.8° | 47.3° |
| O8 | C23 | C22 | H22B | 69.1° | 167.5° |
| O8 | C23 | C22 | H22A | 170.6° | 72.9° |
| O8 | C23 | C24 | H24A | 67.2° | 74.5° |
| O8 | C23 | C24 | H24B | 173.7° | 165.5° |
| C19 | C20 | O10 | C21 | 117.1° | 119.1° |
| C19 | C20 | O10 | H20 | 122.9° | 120.4° |
| C19 | C20 | C21 | H20 | 120.6° | 119.9° |
| C19 | C20 | O10 | C40 | 131.9° | 150.0° |
| C19 | C20 | C21 | C22 | 51.3° | 40.9° |
| C19 | C20 | C21 | C34 | 127.1° | 139.1° |
| C20 | C19 | O9 | H9 | 57.1° | 59.6° |
| C24 | C23 | C22 | H23 | 118.9° | 120.3° |
| C24 | C23 | C22 | C21 | 170.1° | 167.7° |
| C24 | C23 | C22 | H22B | 50.2° | 72.1° |
| C24 | C23 | C22 | H22A | 70.1° | 47.6° |
| C23 | C24 | H24A | H24B | 118.6° | 120.0° |
| C23 | C24 | C25 | H25 | 63.2° | 12.6° |
| C23 | C22 | C21 | C20 | 50.0° | 39.5° |
| C23 | C22 | C21 | H22B | 119.9° | 120.2° |
| C23 | C22 | C21 | H22A | 119.9° | 120.1° |
| C23 | C22 | C21 | C34 | 128.4° | 140.4° |
| C23 | C22 | H22B | H22A | 120.5° | 119.6° |
| C22 | C23 | C24 | H24A | 54.5° | 165.1° |
| C22 | C23 | C24 | H24B | 64.5° | 45.2° |
| O10 | C20 | C21 | H20 | 121.0° | 120.5° |
| O10 | C20 | C21 | C22 | 67.1° | 78.8° |
| O10 | C20 | C21 | C34 | 114.5° | 101.3° |
| C20 | O10 | C40 | O17 | 1.4° | 0.0° |
| C20 | O10 | C40 | C41 | 173.6° | 180.0° |
| C21 | C20 | O10 | C40 | 111.0° | 90.9° |
| C20 | C21 | C22 | C34 | 178.4° | 179.9° |
| C20 | C21 | C34 | C35 | 179.4° | 168.8° |
| C20 | C21 | C22 | H22B | 69.9° | 159.7° |
| C20 | C21 | C22 | H22A | 169.8° | 80.6° |
| C20 | C21 | C34 | H34 | 0.6° | 11.3° |
| O10 | C40 | O17 | C41 | 174.2° | 180.0° |
| O10 | C40 | C41 | C42 | 166.1° | 180.0° |
| C40 | O10 | C20 | H20 | 9.1° | 29.7° |
| O10 | C40 | C41 | H41 | 13.9° | 0.0° |
| C22 | C21 | C34 | C35 | 2.2° | 11.3° |
| C22 | C21 | C20 | H20 | 171.9° | 160.7° |
| C21 | C22 | H22B | H22A | 120.5° | 119.7° |
| C21 | C22 | C23 | H23 | 71.1° | 72.0° |
| C22 | C21 | C34 | H34 | 177.8° | 168.7° |
| C47 | C46 | C45 | H46B | 120.0° | 120.0° |
| C47 | C46 | C45 | H46A | 120.0° | 120.0° |
| C47 | C46 | C45 | C44 | 163.3° | 180.0° |
| C47 | C46 | C45 | H45B | 76.1° | 60.0° |
| C47 | C46 | C45 | H45A | 42.7° | 60.0° |
| C47 | C46 | H46B | H46A | 120.0° | 120.0° |
| C46 | C47 | H47B | H47C | 120.0° | 120.0° |
| C46 | C47 | H47B | H47A | 120.0° | 120.0° |
| C46 | C47 | H47C | H47A | 120.0° | 120.0° |
| C46 | C45 | C44 | C43 | 118.4° | 125.0° |
| C46 | C45 | C44 | H45B | 120.6° | 120.0° |
| C46 | C45 | C44 | H45A | 120.6° | 120.0° |
| C46 | C45 | C44 | H44 | 61.6° | 55.0° |
| C46 | C45 | H45B | H45A | 118.1° | 120.0° |
| C45 | C46 | H46B | H46A | 119.9° | 120.0° |
| C45 | C46 | C47 | H47B | 180.0° | 60.0° |
| C45 | C46 | C47 | H47C | 60.0° | 180.0° |
| C45 | C46 | C47 | H47A | 60.0° | 60.0° |
| C21 | C34 | C35 | H34 | 180.0° | 180.0° |
| C21 | C34 | C35 | O16 | 11.4° | 3.1° |
| C21 | C34 | C35 | O15 | 164.7° | 176.8° |
| C34 | C21 | C20 | H20 | 6.5° | 19.2° |
| C34 | C21 | C22 | H22B | 111.7° | 20.3° |
| C34 | C21 | C22 | H22A | 8.6° | 99.5° |
| O17 | C40 | C41 | C42 | 8.6° | 0.0° |
| O17 | C40 | C41 | H41 | 171.4° | 180.0° |
| C40 | C41 | C42 | H41 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 175.5° | 180.0° |
| C40 | C41 | C42 | H42 | 4.5° | 0.1° |
| C41 | C42 | C43 | H42 | 180.0° | 179.9° |
| C41 | C42 | C43 | C44 | 155.6° | 180.0° |
| C41 | C42 | C43 | H43 | 24.4° | 0.0° |
| C34 | C35 | O16 | O15 | 175.7° | 179.9° |
| C34 | C35 | O15 | C39 | 179.5° | 180.0° |
| C42 | C43 | C44 | H43 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 179.0° | 180.0° |
| C43 | C42 | C41 | H41 | 4.5° | 0.0° |
| C42 | C43 | C44 | H44 | 1.0° | 0.1° |
| C43 | C44 | C45 | H44 | 180.0° | 179.9° |
| C44 | C43 | C42 | H42 | 24.4° | 0.1° |
| C43 | C44 | C45 | H45B | 121.0° | 115.0° |
| C43 | C44 | C45 | H45A | 2.3° | 5.0° |
| C45 | C44 | C43 | H43 | 1.0° | 0.0° |
| C44 | C45 | H45B | H45A | 118.1° | 120.1° |
| C44 | C45 | C46 | H46B | 43.3° | 60.0° |
| C44 | C45 | C46 | H46A | 76.7° | 60.0° |
| O16 | C35 | O15 | C39 | 4.1° | 0.0° |
| O16 | C35 | C34 | H34 | 168.6° | 176.9° |
| O15 | C35 | C34 | H34 | 15.3° | 3.2° |
| C35 | O15 | C39 | H39C | 180.0° | 60.1° |
| C35 | O15 | C39 | H39B | 60.0° | 60.0° |
| C35 | O15 | C39 | H39A | 60.0° | 179.9° |
| O15 | C39 | H39C | H39B | 120.0° | 120.0° |
| O15 | C39 | H39C | H39A | 120.0° | 120.0° |
| O15 | C39 | H39B | H39A | 120.0° | 120.0° |
| H2A | C2 | C3 | H3A | 64.0° | 105.8° |
| H2B | C2 | C3 | H3A | 176.7° | 134.2° |
| H3A | C3 | C4 | H4A | 42.4° | 149.1° |
| H3A | C3 | C4 | H4B | 75.7° | 90.9° |
| H3A | C3 | O3 | H3 | 63.9° | 60.1° |
| H5 | C5 | C4 | H4A | 51.7° | 141.0° |
| H5 | C5 | C4 | H4B | 169.7° | 98.9° |
| H5 | C5 | C6 | H6B | 52.8° | 177.4° |
| H5 | C5 | C6 | H6A | 172.6° | 57.4° |
| H7A | C7 | C6 | H6B | 56.2° | 176.0° |
| H7A | C7 | C6 | H6A | 176.0° | 56.0° |
| H11 | C11 | C10 | H10A | 95.7° | 123.2° |
| H11 | C11 | C10 | H10B | 146.3° | 116.6° |
| H11 | C11 | C12 | H12B | 49.9° | 170.7° |
| H11 | C11 | C12 | H12A | 169.3° | 50.1° |
| H14B | C14 | C15 | H15 | 171.7° | 165.5° |
| H14A | C14 | C15 | H15 | 51.7° | 46.1° |
| H15 | C15 | C16 | H16 | 168.6° | 166.3° |
| H17 | C17 | C16 | H16 | 176.0° | 179.3° |
| H22B | C22 | C23 | H23 | 169.1° | 48.2° |
| H22A | C22 | C23 | H23 | 48.8° | 167.9° |
| H23 | C23 | C24 | H24A | 173.5° | 44.6° |
| H23 | C23 | C24 | H24B | 54.4° | 75.4° |
| H24A | C24 | C25 | H25 | 57.2° | 107.4° |
| H24B | C24 | C25 | H25 | 176.3° | 132.7° |
| H25 | C25 | C26 | H26 | 58.8° | 53.2° |
| H26 | C26 | C27 | H27A | 62.9° | 179.0° |
| H26 | C26 | C27 | H27C | 57.1° | 61.0° |
| H26 | C26 | C27 | H27B | 177.0° | 58.9° |
| H26 | C26 | O11 | H11A | 64.4° | 40.8° |
| H27A | C27 | H27C | H27B | 120.0° | 120.0° |
| H28C | C28 | H28B | H28A | 120.0° | 120.0° |
| H29C | C29 | H29B | H29A | 120.0° | 120.0° |
| H32C | C32 | H32A | H32B | 120.0° | 120.0° |
| H33C | C33 | H33A | H33B | 120.0° | 120.0° |
| H37B | C37 | H37A | H37C | 120.0° | 120.0° |
| H38C | C38 | H38A | H38B | 119.9° | 120.0° |
| H39C | C39 | H39B | H39A | 120.0° | 120.0° |
| H41 | C41 | C42 | H42 | 175.5° | 179.9° |
| H42 | C42 | C43 | H43 | 155.6° | 179.9° |
| H43 | C43 | C44 | H44 | 179.1° | 179.9° |
| H44 | C44 | C45 | H45B | 59.0° | 64.9° |
| H44 | C44 | C45 | H45A | 177.7° | 175.0° |
| H45B | C45 | C46 | H46B | 163.9° | 180.0° |
| H45B | C45 | C46 | H46A | 43.9° | 60.0° |
| H45A | C45 | C46 | H46B | 77.4° | 60.0° |
| H45A | C45 | C46 | H46A | 162.7° | 180.0° |
| H46B | C46 | C47 | H47B | 60.0° | 60.0° |
| H46B | C46 | C47 | H47C | 60.0° | 60.0° |
| H46B | C46 | C47 | H47A | 180.0° | 180.0° |
| H46A | C46 | C47 | H47B | 60.0° | NaN° |
| H46A | C46 | C47 | H47C | 180.0° | 60.1° |
| H46A | C46 | C47 | H47A | 60.0° | 60.0° |
| H47B | C47 | H47C | H47A | 120.0° | 120.0° |
