A1JDN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.45Å | 1.46Å | |
| O2 | C3 | sing | 1.34Å | 1.34Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C3 | O19 | doub | 1.21Å | 1.20Å | |
| C1 | C20 | sing | 1.53Å | 1.50Å | |
| C20 | O21 | sing | 1.45Å | 1.45Å | |
| O21 | C22 | sing | 1.34Å | 1.33Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C22 | O38 | doub | 1.21Å | 1.20Å | |
| C1 | C39 | sing | 1.53Å | 1.51Å | |
| C39 | O40 | sing | 1.43Å | 1.44Å | |
| O40 | P41 | sing | 1.61Å | 1.59Å | |
| P41 | O42 | sing | 1.61Å | 1.48Å | |
| P41 | O43 | sing | 1.61Å | 1.65Å | |
| O43 | C44 | sing | 1.43Å | 1.45Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C48 | C49 | sing | 1.53Å | 1.52Å | |
| C49 | O50 | sing | 1.43Å | 1.42Å | |
| C48 | O51 | sing | 1.43Å | 1.45Å | |
| O51 | P52 | sing | 1.61Å | 1.63Å | |
| P52 | O53 | sing | 1.61Å | 1.51Å | |
| P52 | O54 | sing | 1.61Å | 1.52Å | |
| P52 | O55 | doub | 1.48Å | 1.51Å | |
| C47 | O56 | sing | 1.43Å | 1.42Å | |
| C46 | O57 | sing | 1.43Å | 1.44Å | |
| O57 | P58 | sing | 1.61Å | 1.63Å | |
| P58 | O59 | sing | 1.61Å | 1.51Å | |
| P58 | O60 | sing | 1.61Å | 1.51Å | |
| P58 | O61 | doub | 1.48Å | 1.51Å | |
| C45 | O62 | sing | 1.43Å | 1.42Å | |
| P41 | O63 | doub | 1.48Å | 1.48Å | |
| C49 | C44 | sing | 1.53Å | 1.52Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18C | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | H37C | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| O42 | H2 | sing | 0.97Å | 0.95Å | |
| O50 | H50 | sing | 0.97Å | 0.95Å | |
| O53 | H3 | sing | 0.97Å | 0.95Å | |
| O54 | H4 | sing | 0.97Å | 0.95Å | |
| O56 | H56 | sing | 0.97Å | 0.95Å | |
| O59 | H5 | sing | 0.97Å | 0.95Å | |
| O60 | H6 | sing | 0.97Å | 0.95Å | |
| O62 | H62 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 117.4° | 117.0° |
| O2 | C1 | C20 | 107.6° | 109.5° |
| O2 | C1 | C39 | 109.4° | 109.5° |
| O2 | C1 | H1 | 109.6° | 109.4° |
| O2 | C3 | C4 | 111.2° | 120.0° |
| O2 | C3 | O19 | 123.8° | 120.0° |
| C3 | C4 | C5 | 113.7° | 109.5° |
| C4 | C3 | O19 | 124.9° | 120.0° |
| C3 | C4 | H4A | 108.4° | 109.5° |
| C3 | C4 | H4B | 108.4° | 109.5° |
| C4 | C5 | C6 | 113.1° | 109.5° |
| C5 | C4 | H4A | 108.4° | 109.5° |
| C5 | C4 | H4B | 108.4° | 109.5° |
| C4 | C5 | H5B | 108.6° | 109.5° |
| C4 | C5 | H5A | 108.6° | 109.5° |
| C5 | C6 | C7 | 113.9° | 109.5° |
| C6 | C5 | H5B | 108.6° | 109.5° |
| C6 | C5 | H5A | 108.6° | 109.4° |
| C5 | C6 | H6A | 108.3° | 109.5° |
| C5 | C6 | H6B | 108.3° | 109.4° |
| C6 | C7 | C8 | 114.1° | 109.5° |
| C7 | C6 | H6A | 108.3° | 109.5° |
| C7 | C6 | H6B | 108.3° | 109.5° |
| C6 | C7 | H7A | 108.3° | 109.5° |
| C6 | C7 | H7B | 108.3° | 109.5° |
| C7 | C8 | C9 | 113.6° | 109.5° |
| C8 | C7 | H7A | 108.3° | 109.5° |
| C8 | C7 | H7B | 108.3° | 109.5° |
| C7 | C8 | H8B | 108.5° | 109.5° |
| C7 | C8 | H8A | 108.4° | 109.5° |
| C8 | C9 | C10 | 113.9° | 109.5° |
| C9 | C8 | H8B | 108.4° | 109.4° |
| C9 | C8 | H8A | 108.5° | 109.5° |
| C8 | C9 | H9A | 108.3° | 109.5° |
| C8 | C9 | H9B | 108.3° | 109.4° |
| C9 | C10 | C11 | 113.7° | 109.5° |
| C9 | C10 | H10B | 108.4° | 109.5° |
| C9 | C10 | H10A | 108.4° | 109.4° |
| C10 | C9 | H9A | 108.4° | 109.5° |
| C10 | C9 | H9B | 108.4° | 109.4° |
| C10 | C11 | C12 | 114.3° | 109.5° |
| C11 | C10 | H10B | 108.4° | 109.5° |
| C11 | C10 | H10A | 108.4° | 109.5° |
| C10 | C11 | H11B | 108.3° | 109.5° |
| C10 | C11 | H11A | 108.2° | 109.5° |
| C11 | C12 | C13 | 113.7° | 109.5° |
| C11 | C12 | H12A | 108.4° | 109.4° |
| C11 | C12 | H12B | 108.4° | 109.5° |
| C12 | C11 | H11B | 108.3° | 109.5° |
| C12 | C11 | H11A | 108.3° | 109.4° |
| C12 | C13 | C14 | 114.0° | 109.5° |
| C13 | C12 | H12A | 108.4° | 109.5° |
| C13 | C12 | H12B | 108.4° | 109.5° |
| C12 | C13 | H13A | 108.3° | 109.5° |
| C12 | C13 | H13B | 108.3° | 109.4° |
| C13 | C14 | C15 | 114.1° | 109.5° |
| C14 | C13 | H13A | 108.3° | 109.5° |
| C14 | C13 | H13B | 108.3° | 109.5° |
| C13 | C14 | H14A | 108.3° | 109.4° |
| C13 | C14 | H14B | 108.3° | 109.5° |
| C14 | C15 | C16 | 113.9° | 109.5° |
| C15 | C14 | H14A | 108.3° | 109.5° |
| C15 | C14 | H14B | 108.3° | 109.5° |
| C14 | C15 | H15B | 108.4° | 109.5° |
| C14 | C15 | H15A | 108.4° | 109.5° |
| C15 | C16 | C17 | 114.8° | 109.5° |
| C15 | C16 | H16A | 108.1° | 109.5° |
| C15 | C16 | H16B | 108.1° | 109.5° |
| C16 | C15 | H15B | 108.3° | 109.4° |
| C16 | C15 | H15A | 108.3° | 109.5° |
| C16 | C17 | C18 | 114.0° | 109.5° |
| C17 | C16 | H16A | 108.1° | 109.4° |
| C17 | C16 | H16B | 108.1° | 109.5° |
| C16 | C17 | H17A | 108.3° | 109.5° |
| C16 | C17 | H17B | 108.3° | 109.5° |
| C18 | C17 | H17A | 108.3° | 109.4° |
| C18 | C17 | H17B | 108.3° | 109.5° |
| C17 | C18 | H18A | 109.5° | 109.4° |
| C17 | C18 | H18C | 109.5° | 109.5° |
| C17 | C18 | H18B | 109.5° | 109.4° |
| C1 | C20 | O21 | 106.5° | 109.5° |
| C20 | C1 | C39 | 112.2° | 109.4° |
| C1 | C20 | H20B | 110.2° | 109.5° |
| C1 | C20 | H20A | 110.2° | 109.4° |
| C20 | C1 | H1 | 109.0° | 109.5° |
| C20 | O21 | C22 | 117.6° | 117.0° |
| O21 | C20 | H20B | 110.2° | 109.5° |
| O21 | C20 | H20A | 110.2° | 109.5° |
| O21 | C22 | C23 | 110.9° | 120.0° |
| O21 | C22 | O38 | 123.9° | 120.0° |
| C22 | C23 | C24 | 112.1° | 109.5° |
| C23 | C22 | O38 | 125.2° | 120.0° |
| C22 | C23 | H23B | 108.8° | 109.5° |
| C22 | C23 | H23A | 108.8° | 109.5° |
| C23 | C24 | C25 | 113.9° | 109.5° |
| C23 | C24 | H24A | 108.4° | 109.5° |
| C23 | C24 | H24B | 108.4° | 109.4° |
| C24 | C23 | H23B | 108.8° | 109.4° |
| C24 | C23 | H23A | 108.8° | 109.4° |
| C24 | C25 | C26 | 114.7° | 109.5° |
| C24 | C25 | H25B | 108.2° | 109.5° |
| C24 | C25 | H25A | 108.2° | 109.4° |
| C25 | C24 | H24A | 108.3° | 109.5° |
| C25 | C24 | H24B | 108.3° | 109.5° |
| C25 | C26 | C27 | 113.6° | 109.5° |
| C25 | C26 | H26A | 108.5° | 109.5° |
| C25 | C26 | H26B | 108.4° | 109.4° |
| C26 | C25 | H25B | 108.1° | 109.5° |
| C26 | C25 | H25A | 108.2° | 109.5° |
| C26 | C27 | C28 | 114.0° | 109.5° |
| C26 | C27 | H27B | 108.3° | 109.5° |
| C26 | C27 | H27A | 108.4° | 109.5° |
| C27 | C26 | H26A | 108.4° | 109.5° |
| C27 | C26 | H26B | 108.4° | 109.5° |
| C27 | C28 | C29 | 113.7° | 109.5° |
| C28 | C27 | H27B | 108.3° | 109.4° |
| C28 | C27 | H27A | 108.3° | 109.5° |
| C27 | C28 | H28A | 108.4° | 109.5° |
| C27 | C28 | H28B | 108.4° | 109.5° |
| C28 | C29 | C30 | 114.2° | 109.4° |
| C29 | C28 | H28A | 108.4° | 109.4° |
| C29 | C28 | H28B | 108.4° | 109.5° |
| C28 | C29 | H29B | 108.3° | 109.5° |
| C28 | C29 | H29A | 108.3° | 109.5° |
| C29 | C30 | C31 | 113.7° | 109.5° |
| C30 | C29 | H29B | 108.3° | 109.4° |
| C30 | C29 | H29A | 108.3° | 109.5° |
| C29 | C30 | H30A | 108.4° | 109.4° |
| C29 | C30 | H30B | 108.4° | 109.5° |
| C30 | C31 | C32 | 113.8° | 109.5° |
| C31 | C30 | H30A | 108.4° | 109.4° |
| C31 | C30 | H30B | 108.4° | 109.5° |
| C30 | C31 | H31A | 108.4° | 109.4° |
| C30 | C31 | H31B | 108.4° | 109.5° |
| C31 | C32 | C33 | 113.9° | 109.5° |
| C32 | C31 | H31A | 108.4° | 109.5° |
| C32 | C31 | H31B | 108.4° | 109.5° |
| C31 | C32 | H32B | 108.3° | 109.4° |
| C31 | C32 | H32A | 108.3° | 109.5° |
| C32 | C33 | C34 | 113.9° | 109.5° |
| C33 | C32 | H32B | 108.3° | 109.5° |
| C33 | C32 | H32A | 108.3° | 109.5° |
| C32 | C33 | H33A | 108.3° | 109.5° |
| C32 | C33 | H33B | 108.4° | 109.5° |
| C33 | C34 | C35 | 113.9° | 109.5° |
| C34 | C33 | H33A | 108.3° | 109.4° |
| C34 | C33 | H33B | 108.3° | 109.5° |
| C33 | C34 | H34B | 108.3° | 109.5° |
| C33 | C34 | H34A | 108.3° | 109.5° |
| C34 | C35 | C36 | 114.2° | 109.5° |
| C35 | C34 | H34B | 108.4° | 109.5° |
| C35 | C34 | H34A | 108.3° | 109.5° |
| C34 | C35 | H35A | 108.3° | 109.5° |
| C34 | C35 | H35B | 108.3° | 109.4° |
| C35 | C36 | C37 | 113.1° | 109.5° |
| C36 | C35 | H35A | 108.3° | 109.5° |
| C36 | C35 | H35B | 108.3° | 109.5° |
| C35 | C36 | H36B | 108.6° | 109.5° |
| C35 | C36 | H36A | 108.5° | 109.5° |
| C37 | C36 | H36B | 108.5° | 109.4° |
| C37 | C36 | H36A | 108.6° | 109.5° |
| C36 | C37 | H37C | 109.5° | 109.4° |
| C36 | C37 | H37A | 109.5° | 109.5° |
| C36 | C37 | H37B | 109.5° | 109.5° |
| C1 | C39 | O40 | 110.4° | 109.5° |
| C39 | C1 | H1 | 109.0° | 109.5° |
| C1 | C39 | H39A | 109.2° | 109.5° |
| C1 | C39 | H39B | 109.2° | 109.4° |
| C39 | O40 | P41 | 120.3° | 123.0° |
| O40 | C39 | H39A | 109.2° | 109.5° |
| O40 | C39 | H39B | 109.2° | 109.5° |
| O40 | P41 | O42 | 106.9° | 109.5° |
| O40 | P41 | O43 | 102.6° | 109.5° |
| O40 | P41 | O63 | 105.7° | 109.5° |
| O42 | P41 | O43 | 114.2° | 109.5° |
| O42 | P41 | O63 | 118.2° | 109.5° |
| P41 | O42 | H2 | 109.5° | 114.0° |
| P41 | O43 | C44 | 134.3° | 123.0° |
| O43 | P41 | O63 | 107.9° | 109.5° |
| O43 | C44 | C45 | 111.1° | 109.4° |
| O43 | C44 | C49 | 108.0° | 109.5° |
| O43 | C44 | H44 | 109.4° | 109.5° |
| C44 | C45 | C46 | 110.5° | 109.5° |
| C44 | C45 | O62 | 110.0° | 109.5° |
| C45 | C44 | C49 | 111.4° | 109.5° |
| C45 | C44 | H44 | 108.4° | 109.5° |
| C44 | C45 | H45 | 108.6° | 109.5° |
| C45 | C46 | C47 | 111.4° | 109.4° |
| C45 | C46 | O57 | 108.1° | 109.5° |
| C46 | C45 | O62 | 109.0° | 109.4° |
| C46 | C45 | H45 | 108.6° | 109.5° |
| C45 | C46 | H46 | 109.2° | 109.5° |
| C46 | C47 | C48 | 107.6° | 109.5° |
| C46 | C47 | O56 | 110.0° | 109.4° |
| C47 | C46 | O57 | 108.4° | 109.5° |
| C47 | C46 | H46 | 109.3° | 109.5° |
| C46 | C47 | H47 | 109.1° | 109.5° |
| C47 | C48 | C49 | 110.9° | 109.5° |
| C47 | C48 | O51 | 110.6° | 109.5° |
| C48 | C47 | O56 | 110.5° | 109.5° |
| C48 | C47 | H47 | 109.1° | 109.5° |
| C47 | C48 | H48 | 107.9° | 109.5° |
| C48 | C49 | O50 | 110.7° | 109.5° |
| C49 | C48 | O51 | 110.6° | 109.5° |
| C48 | C49 | C44 | 107.9° | 109.5° |
| C49 | C48 | H48 | 107.9° | 109.5° |
| C48 | C49 | H49 | 109.1° | 109.5° |
| O50 | C49 | C44 | 109.6° | 109.4° |
| O50 | C49 | H49 | 110.4° | 109.5° |
| C49 | O50 | H50 | 109.5° | 114.0° |
| C48 | O51 | P52 | 128.8° | 123.0° |
| O51 | C48 | H48 | 108.8° | 109.5° |
| O51 | P52 | O53 | 103.5° | 109.4° |
| O51 | P52 | O54 | 107.5° | 109.5° |
| O51 | P52 | O55 | 107.5° | 109.5° |
| O53 | P52 | O54 | 112.4° | 109.5° |
| O53 | P52 | O55 | 112.5° | 109.4° |
| P52 | O53 | H3 | 109.5° | 114.0° |
| O54 | P52 | O55 | 112.7° | 109.5° |
| P52 | O54 | H4 | 109.5° | 114.0° |
| O56 | C47 | H47 | 110.5° | 109.4° |
| C47 | O56 | H56 | 109.5° | 114.0° |
| C46 | O57 | P58 | 120.6° | 123.0° |
| O57 | C46 | H46 | 110.4° | 109.5° |
| O57 | P58 | O59 | 105.1° | 109.5° |
| O57 | P58 | O60 | 106.0° | 109.4° |
| O57 | P58 | O61 | 106.2° | 109.5° |
| O59 | P58 | O60 | 112.7° | 109.5° |
| O59 | P58 | O61 | 112.9° | 109.5° |
| P58 | O59 | H5 | 109.5° | 114.0° |
| O60 | P58 | O61 | 113.0° | 109.5° |
| P58 | O60 | H6 | 109.5° | 114.0° |
| O62 | C45 | H45 | 110.0° | 109.5° |
| C45 | O62 | H62 | 109.5° | 114.0° |
| C49 | C44 | H44 | 108.4° | 109.5° |
| C44 | C49 | H49 | 109.1° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.4° |
| H5B | C5 | H5A | 109.4° | 109.5° |
| H6A | C6 | H6B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.4° |
| H10B | C10 | H10A | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.4° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.4° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.5° |
| H18A | C18 | H18C | 109.4° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| H18C | C18 | H18B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.4° | 109.4° |
| H20B | C20 | H20A | 109.5° | 109.4° |
| H27B | C27 | H27A | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H25B | C25 | H25A | 109.5° | 109.4° |
| H24A | C24 | H24B | 109.4° | 109.4° |
| H23B | C23 | H23A | 109.5° | 109.5° |
| H8B | C8 | H8A | 109.5° | 109.4° |
| H11B | C11 | H11A | 109.5° | 109.5° |
| H15B | C15 | H15A | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| H29B | C29 | H29A | 109.4° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| H31A | C31 | H31B | 109.5° | 109.5° |
| H32B | C32 | H32A | 109.5° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| H34B | C34 | H34A | 109.5° | 109.4° |
| H35A | C35 | H35B | 109.5° | 109.4° |
| H36B | C36 | H36A | 109.5° | 109.5° |
| H37C | C37 | H37A | 109.4° | 109.5° |
| H37C | C37 | H37B | 109.5° | 109.5° |
| H37A | C37 | H37B | 109.5° | 109.5° |
| H39A | C39 | H39B | 109.5° | 109.4° |
| H9A | C9 | H9B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C4 | 178.8° | 180.0° |
| C1 | O2 | C3 | O19 | 1.3° | 0.2° |
| O2 | C1 | C20 | C39 | 120.4° | 120.0° |
| O2 | C1 | C20 | H1 | 118.8° | 119.9° |
| O2 | C1 | C20 | O21 | 93.1° | 65.0° |
| O2 | C1 | C39 | H1 | 119.8° | 120.0° |
| O2 | C1 | C39 | O40 | 2.8° | 65.0° |
| O2 | C1 | C20 | H20B | 147.4° | 174.9° |
| O2 | C1 | C20 | H20A | 26.4° | 55.0° |
| O2 | C1 | C39 | H39A | 122.9° | 175.0° |
| O2 | C1 | C39 | H39B | 117.4° | 55.0° |
| O2 | C3 | C4 | O19 | 179.9° | 179.8° |
| O2 | C3 | C4 | C5 | 92.3° | 179.8° |
| C3 | O2 | C1 | C20 | 121.1° | 150.1° |
| C3 | O2 | C1 | C39 | 116.8° | 89.9° |
| O2 | C3 | C4 | H4A | 28.4° | 60.2° |
| O2 | C3 | C4 | H4B | 147.1° | 59.7° |
| C3 | O2 | C1 | H1 | 2.7° | 30.1° |
| C3 | C4 | C5 | H4A | 120.6° | 120.0° |
| C3 | C4 | C5 | H4B | 120.6° | 120.0° |
| C3 | C4 | C5 | C6 | 94.0° | 180.0° |
| C3 | C4 | H4A | H4B | 118.1° | 120.0° |
| C3 | C4 | C5 | H5B | 26.5° | 60.0° |
| C3 | C4 | C5 | H5A | 145.4° | 60.0° |
| C4 | C5 | C6 | H5B | 120.5° | 120.1° |
| C4 | C5 | C6 | H5A | 120.6° | 120.0° |
| C4 | C5 | C6 | C7 | 92.8° | 180.0° |
| C5 | C4 | C3 | O19 | 87.9° | 0.1° |
| C5 | C4 | H4A | H4B | 118.1° | 120.0° |
| C4 | C5 | H5B | H5A | 118.4° | 120.0° |
| C4 | C5 | C6 | H6A | 146.6° | 59.9° |
| C4 | C5 | C6 | H6B | 27.8° | 60.0° |
| C5 | C6 | C7 | H6A | 120.6° | 120.0° |
| C5 | C6 | C7 | H6B | 120.6° | 119.9° |
| C5 | C6 | C7 | C8 | 77.5° | 180.0° |
| C6 | C5 | C4 | H4A | 145.4° | 59.9° |
| C6 | C5 | C4 | H4B | 26.6° | 60.0° |
| C6 | C5 | H5B | H5A | 118.4° | 119.9° |
| C5 | C6 | H6A | H6B | 118.0° | 119.9° |
| C5 | C6 | C7 | H7A | 161.8° | 59.9° |
| C5 | C6 | C7 | H7B | 43.2° | 60.0° |
| C6 | C7 | C8 | H7A | 120.7° | 120.0° |
| C6 | C7 | C8 | H7B | 120.7° | 120.0° |
| C6 | C7 | C8 | C9 | 75.0° | 180.0° |
| C7 | C6 | C5 | H5B | 27.7° | 59.9° |
| C7 | C6 | C5 | H5A | 146.6° | 60.0° |
| C7 | C6 | H6A | H6B | 118.0° | 120.0° |
| C6 | C7 | H7A | H7B | 117.9° | 120.0° |
| C6 | C7 | C8 | H8B | 164.4° | 60.0° |
| C6 | C7 | C8 | H8A | 45.7° | 60.0° |
| C7 | C8 | C9 | H8B | 120.6° | 120.0° |
| C7 | C8 | C9 | H8A | 120.6° | 120.1° |
| C7 | C8 | C9 | C10 | 157.1° | 180.0° |
| C8 | C7 | C6 | H6A | 43.1° | 60.0° |
| C8 | C7 | C6 | H6B | 161.9° | 60.0° |
| C8 | C7 | H7A | H7B | 117.9° | 120.0° |
| C7 | C8 | H8B | H8A | 118.1° | 120.1° |
| C7 | C8 | C9 | H9A | 82.3° | 60.0° |
| C7 | C8 | C9 | H9B | 36.5° | 60.1° |
| C8 | C9 | C10 | H9A | 120.6° | 120.1° |
| C8 | C9 | C10 | H9B | 120.6° | 119.9° |
| C8 | C9 | C10 | C11 | 147.1° | 180.0° |
| C9 | C8 | C7 | H7A | 45.7° | 60.0° |
| C9 | C8 | C7 | H7B | 164.3° | 59.9° |
| C8 | C9 | C10 | H10B | 26.4° | 60.0° |
| C8 | C9 | C10 | H10A | 92.3° | 60.1° |
| C9 | C8 | H8B | H8A | 118.1° | 119.9° |
| C8 | C9 | H9A | H9B | 118.0° | 120.0° |
| C9 | C10 | C11 | H10B | 120.7° | 120.0° |
| C9 | C10 | C11 | H10A | 120.6° | 119.9° |
| C9 | C10 | C11 | C12 | 107.8° | 179.9° |
| C9 | C10 | H10B | H10A | 118.1° | 120.0° |
| C10 | C9 | C8 | H8B | 36.5° | 60.0° |
| C10 | C9 | C8 | H8A | 82.3° | 59.9° |
| C9 | C10 | C11 | H11B | 12.9° | 60.0° |
| C9 | C10 | C11 | H11A | 131.5° | 60.0° |
| C10 | C9 | H9A | H9B | 118.0° | 120.0° |
| C10 | C11 | C12 | H11B | 120.7° | 120.0° |
| C10 | C11 | C12 | H11A | 120.7° | 120.0° |
| C10 | C11 | C12 | C13 | 152.5° | 180.0° |
| C11 | C10 | H10B | H10A | 118.1° | 120.0° |
| C10 | C11 | C12 | H12A | 86.9° | 60.0° |
| C10 | C11 | C12 | H12B | 31.9° | 60.0° |
| C10 | C11 | H11B | H11A | 117.8° | 120.0° |
| C11 | C10 | C9 | H9A | 92.3° | 60.0° |
| C11 | C10 | C9 | H9B | 26.4° | 60.0° |
| C11 | C12 | C13 | H12A | 120.6° | 119.9° |
| C11 | C12 | C13 | H12B | 120.6° | 120.0° |
| C11 | C12 | C13 | C14 | 72.7° | 180.0° |
| C12 | C11 | C10 | H10B | 131.6° | 60.1° |
| C12 | C11 | C10 | H10A | 12.8° | 60.0° |
| C11 | C12 | H12A | H12B | 118.1° | 120.0° |
| C11 | C12 | C13 | H13A | 166.6° | 59.9° |
| C11 | C12 | C13 | H13B | 47.9° | 60.0° |
| C12 | C11 | H11B | H11A | 117.8° | 120.0° |
| C12 | C13 | C14 | H13A | 120.7° | 120.0° |
| C12 | C13 | C14 | H13B | 120.7° | 120.0° |
| C12 | C13 | C14 | C15 | 62.3° | 180.0° |
| C13 | C12 | H12A | H12B | 118.1° | 120.0° |
| C12 | C13 | H13A | H13B | 117.9° | 119.9° |
| C12 | C13 | C14 | H14A | 177.0° | 60.0° |
| C12 | C13 | C14 | H14B | 58.4° | 60.0° |
| C13 | C12 | C11 | H11B | 31.8° | 60.0° |
| C13 | C12 | C11 | H11A | 86.8° | 60.0° |
| C13 | C14 | C15 | H14A | 120.7° | 120.0° |
| C13 | C14 | C15 | H14B | 120.7° | 120.0° |
| C13 | C14 | C15 | C16 | 178.8° | 180.0° |
| C14 | C13 | C12 | H12A | 47.9° | 60.0° |
| C14 | C13 | C12 | H12B | 166.6° | 60.0° |
| C14 | C13 | H13A | H13B | 117.9° | 120.1° |
| C13 | C14 | H14A | H14B | 117.9° | 120.0° |
| C13 | C14 | C15 | H15B | 60.6° | 60.0° |
| C13 | C14 | C15 | H15A | 58.1° | 60.0° |
| C14 | C15 | C16 | H15B | 120.7° | 120.0° |
| C14 | C15 | C16 | H15A | 120.7° | 120.0° |
| C14 | C15 | C16 | C17 | 159.5° | 180.0° |
| C15 | C14 | C13 | H13A | 58.4° | 60.0° |
| C15 | C14 | C13 | H13B | 177.0° | 60.0° |
| C14 | C15 | C16 | H16A | 79.7° | 60.1° |
| C14 | C15 | C16 | H16B | 38.7° | 60.0° |
| C15 | C14 | H14A | H14B | 117.9° | 120.0° |
| C14 | C15 | H15B | H15A | 118.0° | 120.0° |
| C15 | C16 | C17 | H16A | 120.8° | 120.0° |
| C15 | C16 | C17 | H16B | 120.8° | 120.1° |
| C15 | C16 | C17 | C18 | 5.0° | 179.9° |
| C15 | C16 | H16A | H16B | 117.6° | 120.1° |
| C15 | C16 | C17 | H17A | 115.7° | 60.0° |
| C15 | C16 | C17 | H17B | 125.6° | 60.1° |
| C16 | C15 | C14 | H14A | 58.0° | 60.0° |
| C16 | C15 | C14 | H14B | 60.6° | 60.0° |
| C16 | C15 | H15B | H15A | 117.9° | 120.0° |
| C16 | C17 | C18 | H17A | 120.7° | 120.0° |
| C16 | C17 | C18 | H17B | 120.7° | 120.0° |
| C17 | C16 | H16A | H16B | 117.6° | 120.0° |
| C16 | C17 | H17A | H17B | 117.9° | 120.0° |
| C16 | C17 | C18 | H18A | 180.0° | 60.0° |
| C16 | C17 | C18 | H18C | 60.0° | 60.0° |
| C16 | C17 | C18 | H18B | 60.0° | 180.0° |
| C17 | C16 | C15 | H15B | 38.9° | 60.0° |
| C17 | C16 | C15 | H15A | 79.8° | 60.0° |
| C18 | C17 | C16 | H16A | 125.7° | 60.0° |
| C18 | C17 | C16 | H16B | 115.8° | 60.0° |
| C18 | C17 | H17A | H17B | 117.9° | 120.0° |
| C17 | C18 | H18A | H18C | 120.0° | 120.1° |
| C17 | C18 | H18A | H18B | 120.0° | 119.9° |
| C17 | C18 | H18C | H18B | 120.0° | 120.0° |
| O19 | C3 | C4 | H4A | 151.5° | 120.0° |
| O19 | C3 | C4 | H4B | 32.8° | 120.1° |
| C1 | C20 | O21 | H20B | 119.5° | 120.0° |
| C1 | C20 | O21 | H20A | 119.6° | 120.0° |
| C1 | C20 | O21 | C22 | 172.8° | 180.0° |
| C20 | C1 | C39 | H1 | 120.8° | 120.0° |
| C20 | C1 | C39 | O40 | 116.5° | 55.0° |
| C1 | C20 | H20B | H20A | 121.4° | 119.9° |
| C20 | C1 | C39 | H39A | 3.6° | 65.0° |
| C20 | C1 | C39 | H39B | 123.3° | 175.0° |
| C20 | O21 | C22 | C23 | 179.3° | 180.0° |
| C20 | O21 | C22 | O38 | 0.6° | 0.0° |
| O21 | C20 | C1 | C39 | 146.5° | 55.0° |
| O21 | C20 | H20B | H20A | 121.4° | 120.0° |
| O21 | C20 | C1 | H1 | 25.7° | 175.0° |
| O21 | C22 | C23 | O38 | 179.9° | 180.0° |
| O21 | C22 | C23 | C24 | 23.0° | 180.0° |
| C22 | O21 | C20 | H20B | 53.3° | 60.0° |
| C22 | O21 | C20 | H20A | 67.6° | 60.0° |
| O21 | C22 | C23 | H23B | 143.4° | 60.0° |
| O21 | C22 | C23 | H23A | 97.4° | 60.1° |
| C22 | C23 | C24 | H23B | 120.4° | 120.0° |
| C22 | C23 | C24 | H23A | 120.4° | 120.0° |
| C22 | C23 | C24 | C25 | 157.5° | 180.0° |
| C22 | C23 | C24 | H24A | 81.8° | 60.0° |
| C22 | C23 | C24 | H24B | 36.9° | 60.0° |
| C22 | C23 | H23B | H23A | 118.8° | 120.0° |
| C23 | C24 | C25 | H24A | 120.7° | 120.1° |
| C23 | C24 | C25 | H24B | 120.7° | 120.0° |
| C23 | C24 | C25 | C26 | 56.2° | 180.0° |
| C24 | C23 | C22 | O38 | 156.9° | 0.0° |
| C23 | C24 | C25 | H25B | 177.0° | 59.9° |
| C23 | C24 | C25 | H25A | 64.6° | 60.0° |
| C23 | C24 | H24A | H24B | 118.0° | 119.9° |
| C24 | C23 | H23B | H23A | 118.8° | 120.0° |
| C24 | C25 | C26 | H25B | 120.8° | 120.1° |
| C24 | C25 | C26 | H25A | 120.8° | 120.0° |
| C24 | C25 | C26 | C27 | 109.3° | 180.0° |
| C24 | C25 | C26 | H26A | 11.3° | 60.0° |
| C24 | C25 | C26 | H26B | 130.1° | 60.0° |
| C24 | C25 | H25B | H25A | 117.7° | 119.9° |
| C25 | C24 | H24A | H24B | 117.9° | 120.0° |
| C25 | C24 | C23 | H23B | 37.2° | 60.0° |
| C25 | C24 | C23 | H23A | 82.1° | 60.0° |
| C25 | C26 | C27 | H26A | 120.6° | 120.0° |
| C25 | C26 | C27 | H26B | 120.6° | 120.0° |
| C25 | C26 | C27 | C28 | 132.7° | 180.0° |
| C25 | C26 | C27 | H27B | 12.0° | 60.0° |
| C25 | C26 | C27 | H27A | 106.7° | 60.0° |
| C25 | C26 | H26A | H26B | 118.1° | 120.0° |
| C26 | C25 | H25B | H25A | 117.6° | 120.0° |
| C26 | C25 | C24 | H24A | 64.5° | 60.0° |
| C26 | C25 | C24 | H24B | 176.9° | 60.0° |
| C26 | C27 | C28 | H27B | 120.7° | 120.0° |
| C26 | C27 | C28 | H27A | 120.7° | 120.0° |
| C26 | C27 | C28 | C29 | 166.9° | 180.0° |
| C26 | C27 | H27B | H27A | 118.0° | 120.0° |
| C27 | C26 | H26A | H26B | 118.1° | 120.0° |
| C27 | C26 | C25 | H25B | 129.9° | 60.0° |
| C27 | C26 | C25 | H25A | 11.5° | 60.0° |
| C26 | C27 | C28 | H28A | 46.3° | 60.0° |
| C26 | C27 | C28 | H28B | 72.5° | 60.0° |
| C27 | C28 | C29 | H28A | 120.6° | 120.0° |
| C27 | C28 | C29 | H28B | 120.6° | 120.0° |
| C27 | C28 | C29 | C30 | 158.4° | 180.0° |
| C28 | C27 | H27B | H27A | 117.9° | 120.0° |
| C28 | C27 | C26 | H26A | 106.7° | 60.0° |
| C28 | C27 | C26 | H26B | 12.1° | 60.0° |
| C27 | C28 | H28A | H28B | 118.1° | 120.0° |
| C27 | C28 | C29 | H29B | 37.7° | 60.0° |
| C27 | C28 | C29 | H29A | 80.9° | 60.0° |
| C28 | C29 | C30 | H29B | 120.7° | 120.0° |
| C28 | C29 | C30 | H29A | 120.7° | 120.0° |
| C28 | C29 | C30 | C31 | 121.2° | 180.0° |
| C29 | C28 | C27 | H27B | 72.4° | 60.0° |
| C29 | C28 | C27 | H27A | 46.2° | 60.0° |
| C29 | C28 | H28A | H28B | 118.1° | 120.0° |
| C28 | C29 | H29B | H29A | 117.8° | 120.0° |
| C28 | C29 | C30 | H30A | 118.2° | 60.1° |
| C28 | C29 | C30 | H30B | 0.6° | 60.0° |
| C29 | C30 | C31 | H30A | 120.6° | 119.9° |
| C29 | C30 | C31 | H30B | 120.6° | 120.1° |
| C29 | C30 | C31 | C32 | 105.7° | 180.0° |
| C30 | C29 | C28 | H28A | 81.0° | 60.0° |
| C30 | C29 | C28 | H28B | 37.8° | 59.9° |
| C30 | C29 | H29B | H29A | 117.8° | 120.0° |
| C29 | C30 | H30A | H30B | 118.1° | 120.0° |
| C29 | C30 | C31 | H31A | 133.7° | 60.0° |
| C29 | C30 | C31 | H31B | 15.0° | 59.9° |
| C30 | C31 | C32 | H31A | 120.6° | 119.9° |
| C30 | C31 | C32 | H31B | 120.7° | 120.1° |
| C30 | C31 | C32 | C33 | 131.9° | 180.0° |
| C31 | C30 | C29 | H29B | 0.5° | 60.1° |
| C31 | C30 | C29 | H29A | 118.1° | 60.0° |
| C31 | C30 | H30A | H30B | 118.1° | 120.0° |
| C30 | C31 | H31A | H31B | 118.0° | 120.0° |
| C30 | C31 | C32 | H32B | 107.5° | 60.1° |
| C30 | C31 | C32 | H32A | 11.2° | 60.0° |
| C31 | C32 | C33 | H32B | 120.7° | 120.0° |
| C31 | C32 | C33 | H32A | 120.6° | 120.0° |
| C31 | C32 | C33 | C34 | 65.9° | 180.0° |
| C32 | C31 | C30 | H30A | 15.0° | 60.0° |
| C32 | C31 | C30 | H30B | 133.7° | 60.0° |
| C32 | C31 | H31A | H31B | 118.0° | 120.0° |
| C31 | C32 | H32B | H32A | 117.9° | 120.0° |
| C31 | C32 | C33 | H33A | 173.4° | 60.0° |
| C31 | C32 | C33 | H33B | 54.7° | 60.0° |
| C32 | C33 | C34 | H33A | 120.6° | 120.0° |
| C32 | C33 | C34 | H33B | 120.7° | 120.0° |
| C32 | C33 | C34 | C35 | 169.6° | 180.0° |
| C33 | C32 | C31 | H31A | 11.2° | 60.0° |
| C33 | C32 | C31 | H31B | 107.5° | 60.0° |
| C33 | C32 | H32B | H32A | 118.0° | 120.0° |
| C32 | C33 | H33A | H33B | 118.0° | 120.0° |
| C32 | C33 | C34 | H34B | 48.9° | 60.0° |
| C32 | C33 | C34 | H34A | 69.7° | 60.0° |
| C33 | C34 | C35 | H34B | 120.7° | 120.1° |
| C33 | C34 | C35 | H34A | 120.7° | 120.0° |
| C33 | C34 | C35 | C36 | 165.8° | 180.0° |
| C34 | C33 | C32 | H32B | 54.7° | 60.0° |
| C34 | C33 | C32 | H32A | 173.4° | 60.0° |
| C34 | C33 | H33A | H33B | 118.0° | 120.0° |
| C33 | C34 | H34B | H34A | 117.9° | 120.0° |
| C33 | C34 | C35 | H35A | 45.1° | 59.9° |
| C33 | C34 | C35 | H35B | 73.5° | 60.0° |
| C34 | C35 | C36 | H35A | 120.7° | 120.1° |
| C34 | C35 | C36 | H35B | 120.7° | 120.0° |
| C34 | C35 | C36 | C37 | 175.8° | 179.9° |
| C35 | C34 | C33 | H33A | 69.8° | 60.0° |
| C35 | C34 | C33 | H33B | 48.9° | 60.0° |
| C35 | C34 | H34B | H34A | 118.0° | 120.0° |
| C34 | C35 | H35A | H35B | 117.8° | 119.9° |
| C34 | C35 | C36 | H36B | 63.7° | 60.0° |
| C34 | C35 | C36 | H36A | 55.2° | 60.0° |
| C35 | C36 | C37 | H36B | 120.6° | 120.0° |
| C35 | C36 | C37 | H36A | 120.5° | 120.0° |
| C36 | C35 | C34 | H34B | 73.5° | 59.9° |
| C36 | C35 | C34 | H34A | 45.2° | 60.0° |
| C36 | C35 | H35A | H35B | 117.9° | 120.0° |
| C35 | C36 | H36B | H36A | 118.3° | 120.0° |
| C35 | C36 | C37 | H37C | 180.0° | 60.0° |
| C35 | C36 | C37 | H37A | 60.0° | 60.0° |
| C35 | C36 | C37 | H37B | 60.0° | 180.0° |
| C37 | C36 | C35 | H35A | 55.1° | 60.0° |
| C37 | C36 | C35 | H35B | 63.5° | 60.0° |
| C37 | C36 | H36B | H36A | 118.4° | 120.0° |
| C36 | C37 | H37C | H37A | 120.0° | 120.0° |
| C36 | C37 | H37C | H37B | 120.0° | 120.0° |
| C36 | C37 | H37A | H37B | 120.0° | 120.0° |
| O38 | C22 | C23 | H23B | 36.5° | 119.9° |
| O38 | C22 | C23 | H23A | 82.7° | 120.0° |
| C1 | C39 | O40 | H39A | 120.1° | 120.1° |
| C1 | C39 | O40 | H39B | 120.1° | 120.0° |
| C1 | C39 | O40 | P41 | 137.2° | 180.0° |
| C39 | C1 | C20 | H20B | 27.0° | 65.0° |
| C39 | C1 | C20 | H20A | 94.0° | 175.0° |
| C1 | C39 | H39A | H39B | 119.6° | 120.0° |
| C39 | O40 | P41 | O42 | 74.3° | 65.0° |
| C39 | O40 | P41 | O43 | 46.1° | 175.0° |
| C39 | O40 | P41 | O63 | 159.0° | 55.0° |
| O40 | C39 | C1 | H1 | 122.6° | 175.0° |
| O40 | C39 | H39A | H39B | 119.6° | 120.0° |
| O40 | P41 | O42 | O43 | 112.7° | 120.0° |
| O40 | P41 | O42 | O63 | 118.9° | 120.0° |
| O40 | P41 | O43 | O63 | 111.3° | 120.0° |
| O40 | P41 | O43 | C44 | 134.0° | 175.0° |
| P41 | O40 | C39 | H39A | 17.0° | 60.0° |
| P41 | O40 | C39 | H39B | 102.7° | 60.0° |
| O40 | P41 | O42 | H2 | 118.9° | 60.0° |
| O42 | P41 | O43 | O63 | 133.5° | 120.0° |
| O42 | P41 | O43 | C44 | 18.8° | 65.0° |
| P41 | O43 | C44 | C45 | 13.4° | 120.0° |
| P41 | O43 | C44 | C49 | 135.9° | 120.0° |
| P41 | O43 | C44 | H44 | 106.2° | 0.0° |
| O43 | P41 | O42 | H2 | 128.5° | 60.0° |
| O43 | C44 | C45 | C49 | 120.5° | 120.0° |
| O43 | C44 | C45 | H44 | 120.3° | 120.0° |
| O43 | C44 | C45 | C46 | 175.9° | 180.0° |
| O43 | C44 | C49 | C48 | 179.9° | 180.0° |
| O43 | C44 | C49 | O50 | 59.5° | 60.0° |
| O43 | C44 | C45 | O62 | 63.7° | 60.0° |
| C44 | O43 | P41 | O63 | 114.7° | 55.0° |
| O43 | C44 | C49 | H44 | 118.5° | 120.0° |
| O43 | C44 | C45 | H45 | 56.8° | 60.0° |
| O43 | C44 | C49 | H49 | 61.5° | 60.0° |
| C44 | C45 | C46 | O62 | 121.0° | 120.0° |
| C44 | C45 | C46 | H45 | 119.1° | 120.0° |
| C44 | C45 | C46 | C47 | 55.8° | 60.0° |
| C45 | C44 | C49 | C48 | 57.8° | 60.0° |
| C45 | C44 | C49 | O50 | 62.8° | 60.0° |
| C44 | C45 | C46 | O57 | 174.7° | 180.0° |
| C44 | C45 | O62 | H45 | 119.6° | 120.0° |
| C45 | C44 | C49 | H44 | 119.2° | 120.0° |
| C44 | C45 | C46 | H46 | 65.1° | 60.0° |
| C45 | C44 | C49 | H49 | 176.2° | 180.0° |
| C44 | C45 | O62 | H62 | 180.0° | 180.0° |
| C45 | C46 | C47 | O57 | 118.8° | 120.0° |
| C45 | C46 | C47 | H46 | 120.8° | 120.0° |
| C45 | C46 | C47 | C48 | 58.6° | 60.0° |
| C45 | C46 | C47 | O56 | 179.0° | 180.0° |
| C45 | C46 | O57 | H46 | 119.4° | 120.0° |
| C45 | C46 | O57 | P58 | 125.5° | 120.0° |
| C46 | C45 | O62 | H45 | 119.0° | 120.0° |
| C46 | C45 | C44 | C49 | 55.3° | 60.0° |
| C46 | C45 | C44 | H44 | 63.9° | 60.0° |
| C45 | C46 | C47 | H47 | 59.7° | 60.0° |
| C46 | C45 | O62 | H62 | 58.7° | 60.0° |
| C46 | C47 | C48 | O56 | 120.1° | 120.0° |
| C46 | C47 | C48 | H47 | 118.2° | 120.1° |
| C46 | C47 | C48 | C49 | 62.5° | 60.0° |
| C46 | C47 | C48 | O51 | 174.4° | 180.0° |
| C46 | C47 | O56 | H47 | 120.5° | 120.0° |
| C47 | C46 | O57 | H46 | 119.7° | 120.0° |
| C47 | C46 | O57 | P58 | 113.7° | 120.0° |
| C47 | C46 | C45 | O62 | 176.8° | 180.0° |
| C47 | C46 | C45 | H45 | 63.3° | 60.0° |
| C46 | C47 | C48 | H48 | 55.5° | 60.0° |
| C46 | C47 | O56 | H56 | 180.0° | 180.0° |
| C47 | C48 | C49 | O51 | 123.1° | 120.0° |
| C47 | C48 | C49 | H48 | 118.0° | 120.0° |
| C47 | C48 | C49 | O50 | 57.7° | 60.0° |
| C47 | C48 | O51 | H48 | 118.4° | 120.0° |
| C47 | C48 | O51 | P52 | 62.1° | 120.0° |
| C48 | C47 | O56 | H47 | 120.8° | 120.0° |
| C48 | C47 | C46 | O57 | 177.4° | 180.0° |
| C47 | C48 | C49 | C44 | 62.2° | 60.0° |
| C48 | C47 | C46 | H46 | 62.3° | 60.0° |
| C47 | C48 | C49 | H49 | 179.4° | 180.0° |
| C48 | C47 | O56 | H56 | 61.3° | 60.0° |
| C48 | C49 | O50 | C44 | 118.9° | 120.0° |
| C48 | C49 | O50 | H49 | 120.9° | 120.0° |
| C49 | C48 | O51 | H48 | 118.4° | 120.0° |
| C49 | C48 | O51 | P52 | 61.1° | 120.0° |
| C49 | C48 | C47 | O56 | 177.4° | 180.0° |
| C48 | C49 | C44 | H49 | 118.4° | 120.1° |
| C48 | C49 | C44 | H44 | 61.3° | 60.0° |
| C49 | C48 | C47 | H47 | 55.7° | 60.1° |
| C48 | C49 | O50 | H50 | 61.5° | 60.0° |
| O50 | C49 | C48 | O51 | 65.4° | 60.0° |
| O50 | C49 | C44 | H49 | 121.0° | 120.0° |
| O50 | C49 | C44 | H44 | 178.0° | 180.0° |
| O50 | C49 | C48 | H48 | 175.6° | 180.0° |
| C48 | O51 | P52 | O53 | 179.7° | 65.0° |
| C48 | O51 | P52 | O54 | 61.2° | 175.0° |
| C48 | O51 | P52 | O55 | 60.4° | 54.9° |
| O51 | C48 | C47 | O56 | 54.3° | 60.0° |
| O51 | C48 | C49 | C44 | 174.7° | 180.0° |
| O51 | C48 | C47 | H47 | 67.3° | 60.0° |
| O51 | C48 | C49 | H49 | 56.3° | 60.0° |
| O51 | P52 | O53 | O54 | 115.7° | 120.1° |
| O51 | P52 | O53 | O55 | 115.8° | 120.0° |
| O51 | P52 | O54 | O55 | 118.3° | 120.0° |
| P52 | O51 | C48 | H48 | 179.5° | 0.1° |
| O51 | P52 | O53 | H3 | 115.8° | 60.1° |
| O51 | P52 | O54 | H4 | 118.3° | 180.0° |
| O53 | P52 | O54 | O55 | 128.4° | 120.0° |
| O53 | P52 | O54 | H4 | 128.4° | 60.0° |
| O54 | P52 | O53 | H3 | 128.5° | 60.0° |
| O55 | P52 | O53 | H3 | 0.0° | 180.0° |
| O55 | P52 | O54 | H4 | 0.0° | 60.0° |
| O56 | C47 | C46 | O57 | 62.2° | 60.0° |
| O56 | C47 | C46 | H46 | 58.2° | 60.0° |
| O56 | C47 | C48 | H48 | 64.6° | 60.0° |
| C46 | O57 | P58 | O59 | 145.1° | 65.0° |
| C46 | O57 | P58 | O60 | 25.5° | 175.0° |
| C46 | O57 | P58 | O61 | 95.0° | 55.0° |
| O57 | C46 | C45 | O62 | 64.2° | 60.0° |
| O57 | C46 | C45 | H45 | 55.6° | 60.0° |
| O57 | C46 | C47 | H47 | 59.1° | 60.0° |
| O57 | P58 | O59 | O60 | 115.0° | 120.0° |
| O57 | P58 | O59 | O61 | 115.4° | 120.0° |
| O57 | P58 | O60 | O61 | 116.0° | 120.0° |
| P58 | O57 | C46 | H46 | 6.0° | 0.1° |
| O57 | P58 | O59 | H5 | 115.4° | 59.9° |
| O57 | P58 | O60 | H6 | 116.0° | 180.0° |
| O59 | P58 | O60 | O61 | 129.5° | 120.0° |
| O59 | P58 | O60 | H6 | 129.6° | 60.0° |
| O60 | P58 | O59 | H5 | 129.6° | 60.0° |
| O61 | P58 | O59 | H5 | 0.0° | 179.9° |
| O61 | P58 | O60 | H6 | 0.0° | 60.0° |
| O62 | C45 | C44 | C49 | 175.8° | 180.0° |
| O62 | C45 | C44 | H44 | 56.5° | 59.9° |
| O62 | C45 | C46 | H46 | 55.9° | 60.0° |
| O63 | P41 | O42 | H2 | 0.0° | 180.0° |
| C49 | C44 | C45 | H45 | 63.8° | 60.0° |
| C44 | C49 | C48 | H48 | 55.7° | 60.0° |
| C44 | C49 | O50 | H50 | 179.7° | 180.0° |
| H4A | C4 | C5 | H5B | 94.1° | 180.0° |
| H4A | C4 | C5 | H5A | 24.8° | 60.0° |
| H4B | C4 | C5 | H5B | 147.1° | 60.0° |
| H4B | C4 | C5 | H5A | 94.0° | 180.0° |
| H5B | C5 | C6 | H6A | 92.9° | 180.0° |
| H5B | C5 | C6 | H6B | 148.4° | 60.1° |
| H5A | C5 | C6 | H6A | 26.0° | 60.1° |
| H5A | C5 | C6 | H6B | 92.7° | 180.0° |
| H6A | C6 | C7 | H7A | 77.6° | 180.0° |
| H6A | C6 | C7 | H7B | 163.8° | 60.0° |
| H6B | C6 | C7 | H7A | 41.2° | 60.0° |
| H6B | C6 | C7 | H7B | 77.4° | 180.0° |
| H7A | C7 | C8 | H8B | 74.9° | NaN° |
| H7A | C7 | C8 | H8A | 166.3° | 60.0° |
| H7B | C7 | C8 | H8B | 43.7° | 60.0° |
| H7B | C7 | C8 | H8A | 75.0° | 180.0° |
| H10B | C10 | C11 | H11B | 107.7° | 60.0° |
| H10B | C10 | C11 | H11A | 10.8° | 180.0° |
| H10B | C10 | C9 | H9A | 147.0° | 180.0° |
| H10B | C10 | C9 | H9B | 94.2° | 59.9° |
| H10A | C10 | C11 | H11B | 133.6° | 179.9° |
| H10A | C10 | C11 | H11A | 107.9° | 59.9° |
| H10A | C10 | C9 | H9A | 28.3° | 60.0° |
| H10A | C10 | C9 | H9B | 147.0° | 180.0° |
| H12A | C12 | C13 | H13A | 72.8° | 60.0° |
| H12A | C12 | C13 | H13B | 168.6° | 179.9° |
| H12A | C12 | C11 | H11B | 152.4° | 60.0° |
| H12A | C12 | C11 | H11A | 33.8° | 180.0° |
| H12B | C12 | C13 | H13A | 46.0° | 179.9° |
| H12B | C12 | C13 | H13B | 72.7° | 60.0° |
| H12B | C12 | C11 | H11B | 88.9° | 180.0° |
| H12B | C12 | C11 | H11A | 152.6° | 60.0° |
| H13A | C13 | C14 | H14A | 62.3° | 180.0° |
| H13A | C13 | C14 | H14B | 179.1° | 60.0° |
| H13B | C13 | C14 | H14A | 56.3° | 60.0° |
| H13B | C13 | C14 | H14B | 62.3° | 180.0° |
| H16A | C16 | C17 | H17A | 5.1° | 60.0° |
| H16A | C16 | C17 | H17B | 113.6° | 180.0° |
| H16A | C16 | C15 | H15B | 159.6° | 180.0° |
| H16A | C16 | C15 | H15A | 41.0° | 60.0° |
| H16B | C16 | C17 | H17A | 123.5° | 179.9° |
| H16B | C16 | C17 | H17B | 4.9° | 60.0° |
| H16B | C16 | C15 | H15B | 81.9° | 60.0° |
| H16B | C16 | C15 | H15A | 159.4° | NaN° |
| H17A | C17 | C18 | H18A | 59.4° | 180.0° |
| H17A | C17 | C18 | H18C | 179.3° | 59.9° |
| H17A | C17 | C18 | H18B | 60.7° | 60.0° |
| H17B | C17 | C18 | H18A | 59.3° | 59.9° |
| H17B | C17 | C18 | H18C | 60.7° | 180.0° |
| H17B | C17 | C18 | H18B | 179.3° | 60.0° |
| H18A | C18 | H18C | H18B | 120.0° | 120.0° |
| H14A | C14 | C15 | H15B | 178.7° | 60.0° |
| H14A | C14 | C15 | H15A | 62.6° | 180.0° |
| H14B | C14 | C15 | H15B | 60.1° | 180.0° |
| H14B | C14 | C15 | H15A | 178.8° | 60.0° |
| H20B | C20 | C1 | H1 | 93.9° | 55.0° |
| H20A | C20 | C1 | H1 | 145.2° | 64.9° |
| H27B | C27 | C26 | H26A | 132.7° | 60.0° |
| H27B | C27 | C26 | H26B | 108.6° | 180.0° |
| H27B | C27 | C28 | H28A | 166.9° | 180.0° |
| H27B | C27 | C28 | H28B | 48.2° | 60.0° |
| H27A | C27 | C26 | H26A | 14.0° | 180.0° |
| H27A | C27 | C26 | H26B | 132.7° | 60.0° |
| H27A | C27 | C28 | H28A | 74.4° | 60.0° |
| H27A | C27 | C28 | H28B | 166.9° | 180.0° |
| H26A | C26 | C25 | H25B | 109.5° | 180.0° |
| H26A | C26 | C25 | H25A | 132.1° | 60.0° |
| H26B | C26 | C25 | H25B | 9.3° | 60.0° |
| H26B | C26 | C25 | H25A | 109.2° | 180.0° |
| H25B | C25 | C24 | H24A | 56.3° | 180.0° |
| H25B | C25 | C24 | H24B | 62.4° | 60.0° |
| H25A | C25 | C24 | H24A | 174.7° | 60.1° |
| H25A | C25 | C24 | H24B | 56.1° | 180.0° |
| H24A | C24 | C23 | H23B | 157.8° | 60.0° |
| H24A | C24 | C23 | H23A | 38.6° | 179.9° |
| H24B | C24 | C23 | H23B | 83.5° | 180.0° |
| H24B | C24 | C23 | H23A | 157.3° | 60.0° |
| H8B | C8 | C9 | H9A | 157.1° | 60.0° |
| H8B | C8 | C9 | H9B | 84.2° | 179.9° |
| H8A | C8 | C9 | H9A | 38.3° | 180.0° |
| H8A | C8 | C9 | H9B | 157.1° | 60.0° |
| H1 | C1 | C39 | H39A | 117.3° | 55.0° |
| H1 | C1 | C39 | H39B | 2.5° | 65.0° |
| H28A | C28 | C29 | H29B | 158.3° | 180.0° |
| H28A | C28 | C29 | H29A | 39.7° | 60.0° |
| H28B | C28 | C29 | H29B | 82.9° | 60.0° |
| H28B | C28 | C29 | H29A | 158.5° | 179.9° |
| H29B | C29 | C30 | H30A | 121.1° | 180.0° |
| H29B | C29 | C30 | H30B | 120.1° | 60.0° |
| H29A | C29 | C30 | H30A | 2.5° | 59.9° |
| H29A | C29 | C30 | H30B | 121.3° | 180.0° |
| H30A | C30 | C31 | H31A | 105.7° | 180.0° |
| H30A | C30 | C31 | H31B | 135.6° | 60.0° |
| H30B | C30 | C31 | H31A | 13.1° | 60.0° |
| H30B | C30 | C31 | H31B | 105.6° | 180.0° |
| H31A | C31 | C32 | H32B | 131.9° | 180.0° |
| H31A | C31 | C32 | H32A | 109.4° | 60.0° |
| H31B | C31 | C32 | H32B | 13.2° | 60.0° |
| H31B | C31 | C32 | H32A | 131.9° | 180.0° |
| H32B | C32 | C33 | H33A | 65.9° | NaN° |
| H32B | C32 | C33 | H33B | 175.4° | 60.0° |
| H32A | C32 | C33 | H33A | 52.8° | 60.0° |
| H32A | C32 | C33 | H33B | 65.9° | 180.0° |
| H33A | C33 | C34 | H34B | 169.6° | 180.0° |
| H33A | C33 | C34 | H34A | 50.9° | 60.0° |
| H33B | C33 | C34 | H34B | 71.7° | 60.0° |
| H33B | C33 | C34 | H34A | 169.6° | 180.0° |
| H34B | C34 | C35 | H35A | 165.8° | 180.0° |
| H34B | C34 | C35 | H35B | 47.2° | 60.1° |
| H34A | C34 | C35 | H35A | 75.5° | 60.1° |
| H34A | C34 | C35 | H35B | 165.9° | 180.0° |
| H35A | C35 | C36 | H36B | 175.7° | 179.9° |
| H35A | C35 | C36 | H36A | 65.4° | 60.0° |
| H35B | C35 | C36 | H36B | 57.0° | 60.0° |
| H35B | C35 | C36 | H36A | 175.9° | 180.0° |
| H36B | C36 | C37 | H37C | 59.5° | 180.0° |
| H36B | C36 | C37 | H37A | 179.4° | 60.0° |
| H36B | C36 | C37 | H37B | 60.6° | 60.0° |
| H36A | C36 | C37 | H37C | 59.4° | 60.0° |
| H36A | C36 | C37 | H37A | 60.5° | NaN° |
| H36A | C36 | C37 | H37B | 179.5° | 60.0° |
| H37C | C37 | H37A | H37B | 120.0° | 120.0° |
| H44 | C44 | C45 | H45 | 177.0° | 180.0° |
| H44 | C44 | C49 | H49 | 57.0° | 60.0° |
| H45 | C45 | C46 | H46 | 175.8° | 180.0° |
| H45 | C45 | O62 | H62 | 60.4° | 60.0° |
| H46 | C46 | C47 | H47 | 179.5° | 180.0° |
| H47 | C47 | C48 | H48 | 173.7° | 180.0° |
| H47 | C47 | O56 | H56 | 59.5° | 60.0° |
| H48 | C48 | C49 | H49 | 62.6° | 60.1° |
| H49 | C49 | O50 | H50 | 59.5° | 60.0° |
