8IJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C59 | C58 | sing | 1.53Å | 1.48Å | |
| C58 | C57 | sing | 1.53Å | 1.49Å | |
| C57 | C56 | sing | 1.53Å | 1.51Å | |
| C39 | C38 | sing | 1.53Å | 1.51Å | |
| C56 | C55 | sing | 1.53Å | 1.50Å | |
| C55 | C54 | sing | 1.53Å | 1.50Å | |
| C38 | C37 | sing | 1.53Å | 1.52Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C54 | C53 | sing | 1.53Å | 1.51Å | |
| C36 | C35 | sing | 1.53Å | 1.54Å | |
| C53 | C52 | sing | 1.53Å | 1.50Å | |
| C52 | C51 | sing | 1.53Å | 1.49Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C51 | C50 | sing | 1.53Å | 1.49Å | |
| C50 | C49 | sing | 1.53Å | 1.49Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C49 | C48 | sing | 1.53Å | 1.50Å | |
| C48 | C47 | sing | 1.53Å | 1.51Å | |
| C46 | C47 | sing | 1.53Å | 1.50Å | |
| C46 | C45 | sing | 1.53Å | 1.50Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C45 | C44 | sing | 1.53Å | 1.51Å | |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| C28 | C27 | sing | 1.53Å | 1.50Å | |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| C44 | C43 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | C21 | sing | 1.51Å | 1.49Å | |
| C43 | C41 | sing | 1.51Å | 1.49Å | |
| O42 | C41 | doub | 1.21Å | 1.20Å | |
| C41 | O40 | sing | 1.34Å | 1.34Å | |
| C21 | O20 | sing | 1.34Å | 1.34Å | |
| C21 | O22 | doub | 1.21Å | 1.20Å | |
| O20 | C19 | sing | 1.45Å | 1.44Å | |
| O40 | C18 | sing | 1.45Å | 1.46Å | |
| C19 | C18 | sing | 1.53Å | 1.48Å | |
| C18 | C17 | sing | 1.53Å | 1.49Å | |
| C17 | O16 | sing | 1.43Å | 1.43Å | |
| O16 | P2 | sing | 1.61Å | 1.58Å | |
| O1 | P2 | doub | 1.48Å | 1.48Å | |
| P2 | O3 | sing | 1.61Å | 1.48Å | |
| P2 | O4 | sing | 1.61Å | 1.61Å | |
| O4 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C14 | sing | 1.53Å | 1.53Å | |
| C6 | O7 | sing | 1.43Å | 1.42Å | |
| C6 | C8 | sing | 1.53Å | 1.52Å | |
| O9 | C8 | sing | 1.43Å | 1.42Å | |
| C8 | C10 | sing | 1.53Å | 1.52Å | |
| C14 | O15 | sing | 1.43Å | 1.42Å | |
| C14 | C12 | sing | 1.53Å | 1.52Å | |
| O13 | C12 | sing | 1.43Å | 1.42Å | |
| C12 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | O11 | sing | 1.43Å | 1.42Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C39 | H39C | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C43 | H43B | sing | 1.09Å | 1.10Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| O7 | H7 | sing | 0.97Å | 0.95Å | |
| O9 | H9 | sing | 0.97Å | 0.95Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | 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 | H35B | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C44 | H44B | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| 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 | H47A | sing | 1.09Å | 1.10Å | |
| C47 | H47B | sing | 1.09Å | 1.10Å | |
| C48 | H48B | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C49 | H49B | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C50 | H50B | sing | 1.09Å | 1.10Å | |
| C51 | H51B | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å | |
| C52 | H52B | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| C53 | H53B | sing | 1.09Å | 1.10Å | |
| C53 | H53A | sing | 1.09Å | 1.10Å | |
| C54 | H54A | sing | 1.09Å | 1.10Å | |
| C54 | H54B | sing | 1.09Å | 1.10Å | |
| C55 | H55B | sing | 1.09Å | 1.10Å | |
| C55 | H55A | sing | 1.09Å | 1.10Å | |
| C56 | H56B | sing | 1.09Å | 1.10Å | |
| C56 | H56A | sing | 1.09Å | 1.10Å | |
| C57 | H57B | sing | 1.09Å | 1.10Å | |
| C57 | H57A | sing | 1.09Å | 1.10Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| C58 | H58B | sing | 1.09Å | 1.10Å | |
| C59 | H59C | sing | 1.09Å | 1.10Å | |
| C59 | H59B | sing | 1.09Å | 1.10Å | |
| C59 | H59A | sing | 1.09Å | 1.10Å | |
| O15 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C59 | C58 | C57 | 111.9° | 109.5° |
| C59 | C58 | H58A | 108.9° | 109.5° |
| C59 | C58 | H58B | 108.9° | 109.5° |
| C58 | C59 | H59C | 109.5° | 109.5° |
| C58 | C59 | H59B | 109.5° | 109.5° |
| C58 | C59 | H59A | 109.5° | 109.5° |
| C58 | C57 | C56 | 112.2° | 109.5° |
| C58 | C57 | H57B | 108.8° | 109.5° |
| C58 | C57 | H57A | 108.8° | 109.5° |
| C57 | C58 | H58A | 108.9° | 109.5° |
| C57 | C58 | H58B | 108.9° | 109.4° |
| C57 | C56 | C55 | 114.3° | 109.5° |
| C57 | C56 | H56B | 108.2° | 109.4° |
| C57 | C56 | H56A | 108.3° | 109.5° |
| C56 | C57 | H57B | 108.8° | 109.5° |
| C56 | C57 | H57A | 108.8° | 109.5° |
| C39 | C38 | C37 | 113.7° | 109.5° |
| C39 | C38 | H38B | 108.4° | 109.5° |
| C39 | C38 | H38A | 108.4° | 109.4° |
| C38 | C39 | H39A | 109.5° | 109.5° |
| C38 | C39 | H39C | 109.5° | 109.5° |
| C38 | C39 | H39B | 109.5° | 109.4° |
| C56 | C55 | C54 | 113.6° | 109.5° |
| C56 | C55 | H55B | 108.4° | 109.4° |
| C56 | C55 | H55A | 108.4° | 109.5° |
| C55 | C56 | H56B | 108.2° | 109.5° |
| C55 | C56 | H56A | 108.2° | 109.5° |
| C55 | C54 | C53 | 114.5° | 109.5° |
| C55 | C54 | H54A | 108.2° | 109.5° |
| C55 | C54 | H54B | 108.2° | 109.5° |
| C54 | C55 | H55B | 108.4° | 109.5° |
| C54 | C55 | H55A | 108.4° | 109.5° |
| C38 | C37 | C36 | 115.1° | 109.5° |
| C38 | C37 | H37B | 108.0° | 109.5° |
| C38 | C37 | H37A | 108.1° | 109.5° |
| C37 | C38 | H38B | 108.4° | 109.5° |
| C37 | C38 | H38A | 108.4° | 109.5° |
| C37 | C36 | C35 | 115.0° | 109.5° |
| C36 | C37 | H37B | 108.1° | 109.5° |
| C36 | C37 | H37A | 108.0° | 109.4° |
| C37 | C36 | H36B | 108.1° | 109.5° |
| C37 | C36 | H36A | 108.1° | 109.5° |
| C54 | C53 | C52 | 114.2° | 109.5° |
| C54 | C53 | H53B | 108.3° | 109.5° |
| C54 | C53 | H53A | 108.3° | 109.5° |
| C53 | C54 | H54A | 108.2° | 109.5° |
| C53 | C54 | H54B | 108.2° | 109.5° |
| C36 | C35 | C34 | 115.6° | 109.4° |
| C36 | C35 | H35B | 107.9° | 109.5° |
| C36 | C35 | H35A | 107.9° | 109.4° |
| C35 | C36 | H36B | 108.1° | 109.5° |
| C35 | C36 | H36A | 108.1° | 109.5° |
| C53 | C52 | C51 | 112.3° | 109.5° |
| C53 | C52 | H52B | 108.8° | 109.5° |
| C53 | C52 | H52A | 108.8° | 109.4° |
| C52 | C53 | H53B | 108.3° | 109.5° |
| C52 | C53 | H53A | 108.2° | 109.4° |
| C52 | C51 | C50 | 113.3° | 109.5° |
| C52 | C51 | H51B | 108.5° | 109.5° |
| C52 | C51 | H51A | 108.5° | 109.4° |
| C51 | C52 | H52B | 108.8° | 109.5° |
| C51 | C52 | H52A | 108.8° | 109.4° |
| C35 | C34 | C33 | 115.0° | 109.4° |
| C35 | C34 | H34B | 108.1° | 109.5° |
| C35 | C34 | H34A | 108.1° | 109.5° |
| C34 | C35 | H35B | 107.9° | 109.4° |
| C34 | C35 | H35A | 107.9° | 109.5° |
| C34 | C33 | C32 | 114.7° | 109.4° |
| C34 | C33 | H33A | 108.2° | 109.5° |
| C34 | C33 | H33B | 108.1° | 109.4° |
| C33 | C34 | H34B | 108.1° | 109.5° |
| C33 | C34 | H34A | 108.1° | 109.5° |
| C51 | C50 | C49 | 111.2° | 109.5° |
| C51 | C50 | H50A | 109.0° | 109.5° |
| C51 | C50 | H50B | 109.0° | 109.4° |
| C50 | C51 | H51B | 108.5° | 109.5° |
| C50 | C51 | H51A | 108.5° | 109.5° |
| C50 | C49 | C48 | 115.3° | 109.5° |
| C50 | C49 | H49B | 108.0° | 109.5° |
| C50 | C49 | H49A | 108.0° | 109.5° |
| C49 | C50 | H50A | 109.0° | 109.5° |
| C49 | C50 | H50B | 109.0° | 109.5° |
| C33 | C32 | C31 | 114.8° | 109.4° |
| C33 | C32 | H32A | 108.1° | 109.4° |
| C33 | C32 | H32B | 108.1° | 109.4° |
| C32 | C33 | H33A | 108.1° | 109.5° |
| C32 | C33 | H33B | 108.2° | 109.5° |
| C32 | C31 | C30 | 114.4° | 109.4° |
| C32 | C31 | H31B | 108.2° | 109.5° |
| C32 | C31 | H31A | 108.2° | 109.5° |
| C31 | C32 | H32A | 108.1° | 109.5° |
| C31 | C32 | H32B | 108.1° | 109.5° |
| C31 | C30 | C29 | 113.9° | 109.5° |
| C31 | C30 | H30B | 108.3° | 109.5° |
| C31 | C30 | H30A | 108.4° | 109.5° |
| C30 | C31 | H31B | 108.2° | 109.5° |
| C30 | C31 | H31A | 108.2° | 109.4° |
| C49 | C48 | C47 | 115.0° | 109.5° |
| C49 | C48 | H48B | 108.1° | 109.5° |
| C49 | C48 | H48A | 108.1° | 109.4° |
| C48 | C49 | H49B | 108.0° | 109.5° |
| C48 | C49 | H49A | 108.0° | 109.4° |
| C48 | C47 | C46 | 113.7° | 109.4° |
| C48 | C47 | H47A | 108.4° | 109.5° |
| C48 | C47 | H47B | 108.4° | 109.5° |
| C47 | C48 | H48B | 108.1° | 109.5° |
| C47 | C48 | H48A | 108.1° | 109.5° |
| C47 | C46 | C45 | 114.7° | 109.4° |
| C47 | C46 | H46B | 108.1° | 109.5° |
| C47 | C46 | H46A | 108.2° | 109.5° |
| C46 | C47 | H47A | 108.4° | 109.5° |
| C46 | C47 | H47B | 108.4° | 109.5° |
| C46 | C45 | C44 | 114.3° | 109.5° |
| C46 | C45 | H45B | 108.3° | 109.5° |
| C46 | C45 | H45A | 108.3° | 109.5° |
| C45 | C46 | H46B | 108.2° | 109.5° |
| C45 | C46 | H46A | 108.1° | 109.5° |
| C25 | C26 | C27 | 118.4° | 109.5° |
| C26 | C25 | C24 | 116.8° | 109.4° |
| C25 | C26 | H26A | 107.2° | 109.5° |
| C25 | C26 | H26B | 107.2° | 109.5° |
| C26 | C25 | H25A | 107.6° | 109.5° |
| C26 | C25 | H25B | 107.6° | 109.5° |
| C26 | C27 | C28 | 111.3° | 109.5° |
| C27 | C26 | H26A | 107.2° | 109.4° |
| C27 | C26 | H26B | 107.2° | 109.5° |
| C26 | C27 | H27B | 109.0° | 109.5° |
| C26 | C27 | H27A | 109.0° | 109.5° |
| C30 | C29 | C28 | 114.1° | 109.5° |
| C30 | C29 | H29A | 108.3° | 109.5° |
| C30 | C29 | H29B | 108.3° | 109.5° |
| C29 | C30 | H30B | 108.4° | 109.4° |
| C29 | C30 | H30A | 108.3° | 109.4° |
| C45 | C44 | C43 | 113.4° | 109.5° |
| C45 | C44 | H44B | 108.5° | 109.4° |
| C45 | C44 | H44A | 108.5° | 109.5° |
| C44 | C45 | H45B | 108.2° | 109.4° |
| C44 | C45 | H45A | 108.2° | 109.5° |
| C25 | C24 | C23 | 111.0° | 109.4° |
| C25 | C24 | H24A | 109.1° | 109.5° |
| C25 | C24 | H24B | 109.1° | 109.5° |
| C24 | C25 | H25A | 107.6° | 109.5° |
| C24 | C25 | H25B | 107.6° | 109.4° |
| C27 | C28 | C29 | 114.8° | 109.5° |
| C27 | C28 | H28A | 108.1° | 109.5° |
| C27 | C28 | H28B | 108.1° | 109.4° |
| C28 | C27 | H27B | 109.0° | 109.5° |
| C28 | C27 | H27A | 109.0° | 109.5° |
| C29 | C28 | H28A | 108.1° | 109.5° |
| C29 | C28 | H28B | 108.1° | 109.5° |
| C28 | C29 | H29A | 108.3° | 109.5° |
| C28 | C29 | H29B | 108.3° | 109.5° |
| C44 | C43 | C41 | 111.0° | 109.5° |
| C44 | C43 | H43A | 109.1° | 109.4° |
| C44 | C43 | H43B | 109.1° | 109.5° |
| C43 | C44 | H44B | 108.5° | 109.5° |
| C43 | C44 | H44A | 108.5° | 109.5° |
| C24 | C23 | C21 | 113.3° | 109.4° |
| C23 | C24 | H24A | 109.1° | 109.5° |
| C23 | C24 | H24B | 109.1° | 109.4° |
| C24 | C23 | H23B | 108.5° | 109.5° |
| C24 | C23 | H23A | 108.5° | 109.5° |
| C23 | C21 | O20 | 111.5° | 120.0° |
| C23 | C21 | O22 | 123.9° | 120.0° |
| C21 | C23 | H23B | 108.5° | 109.4° |
| C21 | C23 | H23A | 108.5° | 109.5° |
| C43 | C41 | O42 | 124.1° | 120.0° |
| C43 | C41 | O40 | 111.7° | 120.0° |
| C41 | C43 | H43A | 109.1° | 109.5° |
| C41 | C43 | H43B | 109.1° | 109.5° |
| O42 | C41 | O40 | 124.1° | 120.0° |
| C41 | O40 | C18 | 117.4° | 117.0° |
| O20 | C21 | O22 | 124.6° | 120.0° |
| C21 | O20 | C19 | 117.2° | 117.0° |
| O20 | C19 | C18 | 112.2° | 109.4° |
| O20 | C19 | H19B | 108.8° | 109.5° |
| O20 | C19 | H19A | 108.8° | 109.5° |
| O40 | C18 | C19 | 109.3° | 109.4° |
| O40 | C18 | C17 | 108.8° | 109.5° |
| O40 | C18 | H18 | 109.4° | 109.4° |
| C19 | C18 | C17 | 111.2° | 109.5° |
| C19 | C18 | H18 | 109.1° | 109.4° |
| C18 | C19 | H19B | 108.8° | 109.5° |
| C18 | C19 | H19A | 108.8° | 109.4° |
| C18 | C17 | O16 | 109.9° | 109.4° |
| C18 | C17 | H17B | 109.4° | 109.5° |
| C18 | C17 | H17A | 109.4° | 109.5° |
| C17 | C18 | H18 | 109.0° | 109.5° |
| C17 | O16 | P2 | 114.3° | 123.0° |
| O16 | C17 | H17B | 109.4° | 109.5° |
| O16 | C17 | H17A | 109.3° | 109.5° |
| O16 | P2 | O1 | 107.7° | 109.5° |
| O16 | P2 | O3 | 109.7° | 109.4° |
| O16 | P2 | O4 | 97.2° | 109.5° |
| O1 | P2 | O3 | 120.2° | 109.5° |
| O1 | P2 | O4 | 109.1° | 109.5° |
| O3 | P2 | O4 | 110.4° | 109.5° |
| P2 | O3 | H1 | 109.5° | 114.0° |
| P2 | O4 | C5 | 116.2° | 123.0° |
| O4 | C5 | C6 | 109.2° | 109.4° |
| O4 | C5 | C14 | 109.6° | 109.5° |
| O4 | C5 | H5 | 109.3° | 109.5° |
| C6 | C5 | C14 | 112.2° | 109.5° |
| C5 | C6 | O7 | 112.0° | 109.5° |
| C5 | C6 | C8 | 109.8° | 109.4° |
| C6 | C5 | H5 | 108.3° | 109.4° |
| C5 | C6 | H6 | 107.4° | 109.4° |
| C5 | C14 | O15 | 110.3° | 109.4° |
| C5 | C14 | C12 | 112.4° | 109.5° |
| C14 | C5 | H5 | 108.2° | 109.5° |
| C5 | C14 | H14 | 107.5° | 109.5° |
| O7 | C6 | C8 | 111.3° | 109.5° |
| O7 | C6 | H6 | 108.7° | 109.5° |
| C6 | O7 | H7 | 109.5° | 114.0° |
| C6 | C8 | O9 | 110.4° | 109.4° |
| C6 | C8 | C10 | 111.3° | 109.5° |
| C8 | C6 | H6 | 107.5° | 109.5° |
| C6 | C8 | H8 | 107.8° | 109.4° |
| O9 | C8 | C10 | 110.4° | 109.5° |
| O9 | C8 | H8 | 109.0° | 109.5° |
| C8 | O9 | H9 | 109.5° | 114.0° |
| C8 | C10 | C12 | 112.0° | 109.5° |
| C8 | C10 | O11 | 109.7° | 109.5° |
| C10 | C8 | H8 | 107.8° | 109.5° |
| C8 | C10 | H10 | 107.8° | 109.5° |
| O15 | C14 | C12 | 110.1° | 109.4° |
| O15 | C14 | H14 | 108.8° | 109.5° |
| C14 | O15 | H15 | 109.5° | 114.0° |
| C14 | C12 | O13 | 110.5° | 109.5° |
| C14 | C12 | C10 | 112.6° | 109.4° |
| C14 | C12 | H12 | 107.1° | 109.5° |
| C12 | C14 | H14 | 107.6° | 109.4° |
| O13 | C12 | C10 | 111.1° | 109.5° |
| O13 | C12 | H12 | 108.4° | 109.5° |
| C12 | O13 | H13 | 109.5° | 114.0° |
| C12 | C10 | O11 | 110.6° | 109.4° |
| C12 | C10 | H10 | 107.7° | 109.4° |
| C10 | C12 | H12 | 107.1° | 109.5° |
| O11 | C10 | H10 | 109.0° | 109.5° |
| C10 | O11 | H11 | 109.5° | 114.0° |
| H17B | C17 | H17A | 109.4° | 109.5° |
| H24A | C24 | H24B | 109.4° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.4° |
| H28A | C28 | H28B | 109.5° | 109.4° |
| H19B | C19 | H19A | 109.5° | 109.5° |
| H23B | C23 | H23A | 109.5° | 109.4° |
| H25A | C25 | H25B | 109.5° | 109.5° |
| H27B | C27 | H27A | 109.5° | 109.4° |
| H29A | C29 | H29B | 109.5° | 109.4° |
| H37B | C37 | H37A | 109.5° | 109.4° |
| H38B | C38 | H38A | 109.5° | 109.4° |
| H39A | C39 | H39C | 109.4° | 109.5° |
| H39A | C39 | H39B | 109.5° | 109.4° |
| H39C | C39 | H39B | 109.5° | 109.4° |
| H43A | C43 | H43B | 109.5° | 109.4° |
| H30B | C30 | H30A | 109.5° | 109.5° |
| H31B | C31 | H31A | 109.5° | 109.4° |
| H32A | C32 | H32B | 109.5° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| H34B | C34 | H34A | 109.4° | 109.4° |
| H35B | C35 | H35A | 109.5° | 109.5° |
| H36B | C36 | H36A | 109.5° | 109.4° |
| H44B | C44 | H44A | 109.4° | 109.4° |
| H45B | C45 | H45A | 109.5° | 109.4° |
| H46B | C46 | H46A | 109.5° | 109.5° |
| H47A | C47 | H47B | 109.5° | 109.5° |
| H48B | C48 | H48A | 109.5° | 109.5° |
| H49B | C49 | H49A | 109.5° | 109.5° |
| H50A | C50 | H50B | 109.5° | 109.5° |
| H51B | C51 | H51A | 109.5° | 109.5° |
| H52B | C52 | H52A | 109.4° | 109.5° |
| H53B | C53 | H53A | 109.5° | 109.5° |
| H54A | C54 | H54B | 109.5° | 109.5° |
| H55B | C55 | H55A | 109.4° | 109.4° |
| H56B | C56 | H56A | 109.5° | 109.4° |
| H57B | C57 | H57A | 109.5° | 109.4° |
| H58A | C58 | H58B | 109.4° | 109.5° |
| H59C | C59 | H59B | 109.5° | 109.4° |
| H59C | C59 | H59A | 109.5° | 109.5° |
| H59B | C59 | H59A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C59 | C58 | C57 | H58A | 120.4° | 120.0° |
| C59 | C58 | C57 | H58B | 120.4° | 120.0° |
| C59 | C58 | C57 | C56 | 58.1° | 179.9° |
| C59 | C58 | C57 | H57B | 62.3° | 60.0° |
| C59 | C58 | C57 | H57A | 178.5° | 60.0° |
| C59 | C58 | H58A | H58B | 118.9° | 120.0° |
| C58 | C59 | H59C | H59B | 120.0° | 120.0° |
| C58 | C59 | H59C | H59A | 120.0° | 120.0° |
| C58 | C59 | H59B | H59A | 120.0° | 120.0° |
| C58 | C57 | C56 | H57B | 120.4° | 120.0° |
| C58 | C57 | C56 | H57A | 120.4° | 120.0° |
| C58 | C57 | C56 | C55 | 140.8° | 180.0° |
| C58 | C57 | C56 | H56B | 20.0° | 60.0° |
| C58 | C57 | C56 | H56A | 98.6° | 60.0° |
| C58 | C57 | H57B | H57A | 118.7° | 120.0° |
| C57 | C58 | H58A | H58B | 118.9° | 120.0° |
| C57 | C58 | C59 | H59C | 180.0° | 60.0° |
| C57 | C58 | C59 | H59B | 60.0° | 60.0° |
| C57 | C58 | C59 | H59A | 60.0° | 180.0° |
| C57 | C56 | C55 | H56B | 120.7° | 120.0° |
| C57 | C56 | C55 | H56A | 120.7° | 120.1° |
| C57 | C56 | C55 | C54 | 164.4° | 180.0° |
| C57 | C56 | C55 | H55B | 75.0° | 60.0° |
| C57 | C56 | C55 | H55A | 43.8° | 59.9° |
| C57 | C56 | H56B | H56A | 117.8° | 120.0° |
| C56 | C57 | H57B | H57A | 118.8° | 120.0° |
| C56 | C57 | C58 | H58A | 178.5° | 60.0° |
| C56 | C57 | C58 | H58B | 62.3° | 60.0° |
| C39 | C38 | C37 | H38B | 120.6° | 120.0° |
| C39 | C38 | C37 | H38A | 120.6° | 120.0° |
| C39 | C38 | C37 | C36 | 166.1° | 180.0° |
| C39 | C38 | C37 | H37B | 45.3° | 60.0° |
| C39 | C38 | C37 | H37A | 73.0° | 60.0° |
| C39 | C38 | H38B | H38A | 118.1° | 120.0° |
| C38 | C39 | H39A | H39C | 120.0° | 120.1° |
| C38 | C39 | H39A | H39B | 120.0° | 120.0° |
| C38 | C39 | H39C | H39B | 120.0° | 120.0° |
| C56 | C55 | C54 | H55B | 120.6° | 120.0° |
| C56 | C55 | C54 | H55A | 120.6° | 120.0° |
| C56 | C55 | C54 | C53 | 73.2° | 180.0° |
| C56 | C55 | C54 | H54A | 47.6° | 60.0° |
| C56 | C55 | C54 | H54B | 166.1° | 60.0° |
| C56 | C55 | H55B | H55A | 118.1° | 120.0° |
| C55 | C56 | H56B | H56A | 117.7° | 120.0° |
| C55 | C56 | C57 | H57B | 98.8° | 60.0° |
| C55 | C56 | C57 | H57A | 20.4° | 59.9° |
| C55 | C54 | C53 | H54A | 120.7° | 120.0° |
| C55 | C54 | C53 | H54B | 120.7° | 120.0° |
| C55 | C54 | C53 | C52 | 83.3° | 180.0° |
| C55 | C54 | C53 | H53B | 37.4° | 60.0° |
| C55 | C54 | C53 | H53A | 156.0° | 60.0° |
| C55 | C54 | H54A | H54B | 117.7° | 120.0° |
| C54 | C55 | H55B | H55A | 118.1° | 120.0° |
| C54 | C55 | C56 | H56B | 43.7° | 60.0° |
| C54 | C55 | C56 | H56A | 74.9° | 60.0° |
| C38 | C37 | C36 | H37B | 120.8° | 120.0° |
| C38 | C37 | C36 | H37A | 120.8° | 120.0° |
| C38 | C37 | C36 | C35 | 96.2° | 180.0° |
| C38 | C37 | H37B | H37A | 117.4° | 120.0° |
| C37 | C38 | H38B | H38A | 118.1° | 120.0° |
| C37 | C38 | C39 | H39A | 180.0° | 180.0° |
| C37 | C38 | C39 | H39C | 60.0° | 60.0° |
| C37 | C38 | C39 | H39B | 60.0° | 60.0° |
| C38 | C37 | C36 | H36B | 24.5° | 60.0° |
| C38 | C37 | C36 | H36A | 142.9° | 60.0° |
| C37 | C36 | C35 | H36B | 120.8° | 120.0° |
| C37 | C36 | C35 | H36A | 120.8° | 120.0° |
| C37 | C36 | C35 | C34 | 97.0° | 180.0° |
| C36 | C37 | H37B | H37A | 117.4° | 120.0° |
| C36 | C37 | C38 | H38B | 73.2° | 60.0° |
| C36 | C37 | C38 | H38A | 45.5° | 60.0° |
| C37 | C36 | C35 | H35B | 142.1° | 60.0° |
| C37 | C36 | C35 | H35A | 23.9° | 60.0° |
| C37 | C36 | H36B | H36A | 117.5° | 120.0° |
| C54 | C53 | C52 | H53B | 120.7° | 120.0° |
| C54 | C53 | C52 | H53A | 120.7° | 120.0° |
| C54 | C53 | C52 | C51 | 119.6° | 180.0° |
| C54 | C53 | C52 | H52B | 0.8° | 60.0° |
| C54 | C53 | C52 | H52A | 119.9° | 60.0° |
| C54 | C53 | H53B | H53A | 117.8° | 120.0° |
| C53 | C54 | H54A | H54B | 117.7° | 120.0° |
| C53 | C54 | C55 | H55B | 166.2° | 60.0° |
| C53 | C54 | C55 | H55A | 47.5° | 60.0° |
| C36 | C35 | C34 | H35B | 120.9° | 120.0° |
| C36 | C35 | C34 | H35A | 120.9° | 120.0° |
| C36 | C35 | C34 | C33 | 119.1° | 180.0° |
| C35 | C36 | C37 | H37B | 142.9° | 60.0° |
| C35 | C36 | C37 | H37A | 24.6° | 60.0° |
| C36 | C35 | C34 | H34B | 120.1° | 60.0° |
| C36 | C35 | C34 | H34A | 1.7° | 60.0° |
| C36 | C35 | H35B | H35A | 117.2° | 120.0° |
| C35 | C36 | H36B | H36A | 117.5° | 120.0° |
| C53 | C52 | C51 | H52B | 120.4° | 120.0° |
| C53 | C52 | C51 | H52A | 120.4° | 119.9° |
| C53 | C52 | C51 | C50 | 70.3° | NaN° |
| C53 | C52 | C51 | H51B | 169.1° | 59.9° |
| C53 | C52 | C51 | H51A | 50.2° | 60.1° |
| C53 | C52 | H52B | H52A | 118.7° | 120.0° |
| C52 | C53 | H53B | H53A | 117.8° | 120.0° |
| C52 | C53 | C54 | H54A | 155.9° | 60.0° |
| C52 | C53 | C54 | H54B | 37.4° | 60.0° |
| C52 | C51 | C50 | H51B | 120.6° | 120.1° |
| C52 | C51 | C50 | H51A | 120.6° | 119.9° |
| C52 | C51 | C50 | C49 | 158.3° | 180.0° |
| C52 | C51 | C50 | H50A | 81.5° | 59.9° |
| C52 | C51 | C50 | H50B | 38.0° | 60.1° |
| C52 | C51 | H51B | H51A | 118.3° | 119.9° |
| C51 | C52 | H52B | H52A | 118.7° | 120.0° |
| C51 | C52 | C53 | H53B | 119.6° | 60.0° |
| C51 | C52 | C53 | H53A | 1.0° | 60.1° |
| C35 | C34 | C33 | H34B | 120.8° | 120.0° |
| C35 | C34 | C33 | H34A | 120.8° | 120.0° |
| C35 | C34 | C33 | C32 | 52.5° | NaN° |
| C35 | C34 | C33 | H33A | 68.3° | 60.0° |
| C35 | C34 | C33 | H33B | 173.2° | 60.0° |
| C35 | C34 | H34B | H34A | 117.5° | 120.0° |
| C34 | C35 | H35B | H35A | 117.2° | 120.0° |
| C34 | C35 | C36 | H36B | 23.8° | 60.0° |
| C34 | C35 | C36 | H36A | 142.1° | 60.0° |
| C34 | C33 | C32 | H33A | 120.8° | 120.0° |
| C34 | C33 | C32 | H33B | 120.8° | 120.0° |
| C34 | C33 | C32 | C31 | 148.8° | 180.0° |
| C34 | C33 | C32 | H32A | 28.0° | 60.0° |
| C34 | C33 | C32 | H32B | 90.4° | 60.0° |
| C34 | C33 | H33A | H33B | 117.6° | 120.0° |
| C33 | C34 | H34B | H34A | 117.5° | 120.0° |
| C33 | C34 | C35 | H35B | 1.8° | 60.0° |
| C33 | C34 | C35 | H35A | 120.0° | 60.0° |
| C51 | C50 | C49 | H50A | 120.3° | 120.0° |
| C51 | C50 | C49 | H50B | 120.2° | 119.9° |
| C51 | C50 | C49 | C48 | 177.1° | NaN° |
| C51 | C50 | C49 | H49B | 62.0° | 60.0° |
| C51 | C50 | C49 | H49A | 56.3° | 60.1° |
| C51 | C50 | H50A | H50B | 119.2° | 120.0° |
| C50 | C51 | H51B | H51A | 118.2° | 120.0° |
| C50 | C51 | C52 | H52B | 50.1° | 60.0° |
| C50 | C51 | C52 | H52A | 169.2° | 60.1° |
| C50 | C49 | C48 | H49B | 120.8° | 120.0° |
| C50 | C49 | C48 | H49A | 120.8° | 120.0° |
| C50 | C49 | C48 | C47 | 100.6° | 180.0° |
| C50 | C49 | C48 | H48B | 20.2° | 60.0° |
| C50 | C49 | C48 | H48A | 138.6° | 60.0° |
| C50 | C49 | H49B | H49A | 117.3° | 120.0° |
| C49 | C50 | H50A | H50B | 119.2° | 120.0° |
| C49 | C50 | C51 | H51B | 37.7° | 60.0° |
| C49 | C50 | C51 | H51A | 81.2° | 60.1° |
| C33 | C32 | C31 | H32A | 120.8° | 119.9° |
| C33 | C32 | C31 | H32B | 120.8° | 120.0° |
| C33 | C32 | C31 | C30 | 69.8° | 180.0° |
| C33 | C32 | C31 | H31B | 50.9° | 60.0° |
| C33 | C32 | C31 | H31A | 169.4° | 60.0° |
| C33 | C32 | H32A | H32B | 117.6° | 120.0° |
| C32 | C33 | H33A | H33B | 117.6° | 120.0° |
| C32 | C33 | C34 | H34B | 173.3° | 60.0° |
| C32 | C33 | C34 | H34A | 68.4° | 60.0° |
| C32 | C31 | C30 | H31B | 120.7° | 120.0° |
| C32 | C31 | C30 | H31A | 120.7° | 120.0° |
| C32 | C31 | C30 | C29 | 126.2° | 180.0° |
| C32 | C31 | C30 | H30B | 5.6° | 60.0° |
| C32 | C31 | C30 | H30A | 113.1° | 60.0° |
| C32 | C31 | H31B | H31A | 117.7° | 120.0° |
| C31 | C32 | H32A | H32B | 117.6° | 120.1° |
| C31 | C32 | C33 | H33A | 90.4° | 60.0° |
| C31 | C32 | C33 | H33B | 28.0° | 60.1° |
| C31 | C30 | C29 | H30B | 120.6° | 120.1° |
| C31 | C30 | C29 | H30A | 120.7° | 120.0° |
| C31 | C30 | C29 | C28 | 66.2° | 180.0° |
| C31 | C30 | C29 | H29A | 173.2° | 60.0° |
| C31 | C30 | C29 | H29B | 54.6° | 60.0° |
| C31 | C30 | H30B | H30A | 118.0° | 120.0° |
| C30 | C31 | H31B | H31A | 117.8° | 120.0° |
| C30 | C31 | C32 | H32A | 169.4° | 60.0° |
| C30 | C31 | C32 | H32B | 50.9° | 60.1° |
| C49 | C48 | C47 | H48B | 120.8° | 120.0° |
| C49 | C48 | C47 | H48A | 120.8° | 119.9° |
| C49 | C48 | C47 | C46 | 86.8° | 180.0° |
| C49 | C48 | C47 | H47A | 152.6° | 60.0° |
| C49 | C48 | C47 | H47B | 33.8° | 60.0° |
| C49 | C48 | H48B | H48A | 117.5° | 120.0° |
| C48 | C49 | H49B | H49A | 117.4° | 120.0° |
| C48 | C49 | C50 | H50A | 56.9° | 60.0° |
| C48 | C49 | C50 | H50B | 62.6° | 60.1° |
| C48 | C47 | C46 | H47A | 120.6° | 120.0° |
| C48 | C47 | C46 | H47B | 120.6° | 120.0° |
| C48 | C47 | C46 | C45 | 168.5° | 180.0° |
| C48 | C47 | C46 | H46B | 47.7° | 60.0° |
| C48 | C47 | C46 | H46A | 70.8° | 60.0° |
| C48 | C47 | H47A | H47B | 118.1° | 120.0° |
| C47 | C48 | H48B | H48A | 117.5° | 120.0° |
| C47 | C48 | C49 | H49B | 138.6° | 60.0° |
| C47 | C48 | C49 | H49A | 20.2° | 60.0° |
| C47 | C46 | C45 | H46B | 120.8° | 120.0° |
| C47 | C46 | C45 | H46A | 120.8° | 120.0° |
| C47 | C46 | C45 | C44 | 66.3° | 180.0° |
| C47 | C46 | C45 | H45B | 54.4° | 60.0° |
| C47 | C46 | C45 | H45A | 173.0° | 60.0° |
| C47 | C46 | H46B | H46A | 117.6° | 120.0° |
| C46 | C47 | H47A | H47B | 118.1° | 120.0° |
| C46 | C47 | C48 | H48B | 34.0° | 60.0° |
| C46 | C47 | C48 | H48A | 152.4° | 60.0° |
| C46 | C45 | C44 | H45B | 120.7° | 120.0° |
| C46 | C45 | C44 | H45A | 120.7° | 120.0° |
| C46 | C45 | C44 | C43 | 164.8° | 180.0° |
| C46 | C45 | C44 | H44B | 74.6° | 59.9° |
| C46 | C45 | C44 | H44A | 44.2° | 60.0° |
| C46 | C45 | H45B | H45A | 117.8° | 120.0° |
| C45 | C46 | H46B | H46A | 117.6° | 120.0° |
| C45 | C46 | C47 | H47A | 70.9° | 60.0° |
| C45 | C46 | C47 | H47B | 47.8° | 60.0° |
| C25 | C26 | C27 | H26A | 121.3° | 120.0° |
| C25 | C26 | C27 | H26B | 121.3° | 120.0° |
| C26 | C25 | C24 | H25A | 121.1° | 120.0° |
| C26 | C25 | C24 | H25B | 121.0° | 120.0° |
| C25 | C26 | C27 | C28 | 163.2° | 180.0° |
| C26 | C25 | C24 | C23 | 90.4° | 180.0° |
| C26 | C25 | C24 | H24A | 149.3° | 60.0° |
| C26 | C25 | C24 | H24B | 29.8° | 60.1° |
| C25 | C26 | H26A | H26B | 115.9° | 120.0° |
| C26 | C25 | H25A | H25B | 116.7° | 120.1° |
| C25 | C26 | C27 | H27B | 76.6° | 60.0° |
| C25 | C26 | C27 | H27A | 42.9° | 60.0° |
| C27 | C26 | C25 | C24 | 38.0° | 180.0° |
| C26 | C27 | C28 | H27B | 120.3° | 120.0° |
| C26 | C27 | C28 | H27A | 120.3° | 120.0° |
| C26 | C27 | C28 | C29 | 170.2° | NaN° |
| C27 | C26 | H26A | H26B | 115.9° | 120.0° |
| C26 | C27 | C28 | H28A | 69.0° | 60.0° |
| C26 | C27 | C28 | H28B | 49.4° | 60.0° |
| C27 | C26 | C25 | H25A | 83.1° | 60.0° |
| C27 | C26 | C25 | H25B | 159.0° | 60.0° |
| C26 | C27 | H27B | H27A | 119.2° | 120.0° |
| C30 | C29 | C28 | C27 | 142.8° | 180.0° |
| C30 | C29 | C28 | H29A | 120.7° | 120.0° |
| C30 | C29 | C28 | H29B | 120.7° | 120.0° |
| C30 | C29 | C28 | H28A | 96.4° | 60.0° |
| C30 | C29 | C28 | H28B | 22.0° | 60.0° |
| C30 | C29 | H29A | H29B | 117.9° | 120.0° |
| C29 | C30 | H30B | H30A | 118.0° | 119.9° |
| C29 | C30 | C31 | H31B | 113.1° | 60.0° |
| C29 | C30 | C31 | H31A | 5.5° | 60.0° |
| C45 | C44 | C43 | H44B | 120.6° | 120.0° |
| C45 | C44 | C43 | H44A | 120.6° | 120.0° |
| C45 | C44 | C43 | C41 | 63.2° | 180.0° |
| C45 | C44 | C43 | H43A | 57.0° | 60.0° |
| C45 | C44 | C43 | H43B | 176.5° | 60.0° |
| C45 | C44 | H44B | H44A | 118.2° | 119.9° |
| C44 | C45 | H45B | H45A | 117.8° | 119.9° |
| C44 | C45 | C46 | H46B | 173.0° | 60.0° |
| C44 | C45 | C46 | H46A | 54.5° | 60.0° |
| C25 | C24 | C23 | H24A | 120.2° | 120.0° |
| C25 | C24 | C23 | H24B | 120.2° | 119.9° |
| C25 | C24 | C23 | C21 | 174.7° | 180.0° |
| C25 | C24 | H24A | H24B | 119.3° | 120.0° |
| C24 | C25 | C26 | H26A | 83.3° | 60.0° |
| C24 | C25 | C26 | H26B | 159.2° | 60.0° |
| C25 | C24 | C23 | H23B | 54.1° | 60.0° |
| C25 | C24 | C23 | H23A | 64.7° | 60.0° |
| C24 | C25 | H25A | H25B | 116.7° | 120.0° |
| C27 | C28 | C29 | H28A | 120.8° | 120.0° |
| C27 | C28 | C29 | H28B | 120.7° | 120.0° |
| C28 | C27 | C26 | H26A | 41.9° | 60.0° |
| C28 | C27 | C26 | H26B | 75.6° | 60.0° |
| C27 | C28 | H28A | H28B | 117.6° | 119.9° |
| C28 | C27 | H27B | H27A | 119.2° | 120.0° |
| C27 | C28 | C29 | H29A | 96.5° | 60.0° |
| C27 | C28 | C29 | H29B | 22.1° | 60.0° |
| C29 | C28 | H28A | H28B | 117.6° | 120.0° |
| C29 | C28 | C27 | H27B | 49.9° | 60.0° |
| C29 | C28 | C27 | H27A | 69.5° | 60.0° |
| C28 | C29 | H29A | H29B | 117.9° | 120.0° |
| C28 | C29 | C30 | H30B | 54.5° | 60.0° |
| C28 | C29 | C30 | H30A | 173.2° | 60.0° |
| C44 | C43 | C41 | H43A | 120.2° | 120.0° |
| C44 | C43 | C41 | H43B | 120.2° | 120.0° |
| C44 | C43 | C41 | O42 | 86.4° | 0.0° |
| C44 | C43 | C41 | O40 | 89.9° | 180.0° |
| C44 | C43 | H43A | H43B | 119.3° | 120.0° |
| C43 | C44 | H44B | H44A | 118.2° | 120.0° |
| C43 | C44 | C45 | H45B | 44.1° | 60.0° |
| C43 | C44 | C45 | H45A | 74.5° | 59.9° |
| C24 | C23 | C21 | H23B | 120.6° | 120.0° |
| C24 | C23 | C21 | H23A | 120.6° | 120.0° |
| C24 | C23 | C21 | O20 | 175.4° | 180.0° |
| C24 | C23 | C21 | O22 | 4.4° | 0.0° |
| C23 | C24 | H24A | H24B | 119.3° | 120.0° |
| C24 | C23 | H23B | H23A | 118.3° | 120.0° |
| C23 | C24 | C25 | H25A | 30.6° | 60.0° |
| C23 | C24 | C25 | H25B | 148.5° | 60.0° |
| C23 | C21 | O20 | O22 | 179.8° | 180.0° |
| C23 | C21 | O20 | C19 | 178.4° | 180.0° |
| C21 | C23 | C24 | H24A | 65.0° | 60.1° |
| C21 | C23 | C24 | H24B | 54.5° | 60.0° |
| C21 | C23 | H23B | H23A | 118.2° | 120.0° |
| C43 | C41 | O42 | O40 | 175.9° | 180.0° |
| C43 | C41 | O40 | C18 | 179.6° | 180.0° |
| C41 | C43 | H43A | H43B | 119.3° | 120.0° |
| C41 | C43 | C44 | H44B | 176.1° | 60.0° |
| C41 | C43 | C44 | H44A | 57.4° | 60.0° |
| O42 | C41 | O40 | C18 | 3.3° | 0.1° |
| O42 | C41 | C43 | H43A | 33.8° | 120.0° |
| O42 | C41 | C43 | H43B | 153.3° | 120.0° |
| C41 | O40 | C18 | C19 | 106.6° | 150.0° |
| C41 | O40 | C18 | C17 | 131.8° | 90.0° |
| C41 | O40 | C18 | H18 | 12.8° | 30.1° |
| O40 | C41 | C43 | H43A | 149.9° | 60.0° |
| O40 | C41 | C43 | H43B | 30.3° | 60.0° |
| C21 | O20 | C19 | C18 | 148.7° | 180.0° |
| C21 | O20 | C19 | H19B | 90.8° | 60.0° |
| C21 | O20 | C19 | H19A | 28.3° | 60.0° |
| O20 | C21 | C23 | H23B | 54.9° | 60.0° |
| O20 | C21 | C23 | H23A | 64.0° | 60.0° |
| O22 | C21 | O20 | C19 | 1.8° | 0.0° |
| O22 | C21 | C23 | H23B | 125.0° | 120.0° |
| O22 | C21 | C23 | H23A | 116.2° | 120.0° |
| O20 | C19 | C18 | O40 | 72.7° | 65.0° |
| O20 | C19 | C18 | H19B | 120.4° | 120.0° |
| O20 | C19 | C18 | H19A | 120.4° | 120.0° |
| O20 | C19 | C18 | C17 | 167.1° | 55.0° |
| O20 | C19 | C18 | H18 | 46.9° | 175.0° |
| O20 | C19 | H19B | H19A | 118.7° | 120.0° |
| O40 | C18 | C19 | C17 | 120.2° | 120.0° |
| O40 | C18 | C19 | H18 | 119.6° | 119.9° |
| O40 | C18 | C17 | H18 | 119.3° | 120.0° |
| O40 | C18 | C17 | O16 | 60.5° | 65.0° |
| O40 | C18 | C17 | H17B | 59.6° | 175.0° |
| O40 | C18 | C17 | H17A | 179.5° | 55.0° |
| O40 | C18 | C19 | H19B | 47.7° | 55.0° |
| O40 | C18 | C19 | H19A | 166.9° | 175.0° |
| C19 | C18 | C17 | H18 | 120.3° | 120.0° |
| C19 | C18 | C17 | O16 | 179.1° | 55.0° |
| C19 | C18 | C17 | H17B | 60.8° | 65.0° |
| C19 | C18 | C17 | H17A | 59.0° | 175.0° |
| C18 | C19 | H19B | H19A | 118.8° | 120.0° |
| C18 | C17 | O16 | H17B | 120.1° | 120.0° |
| C18 | C17 | O16 | H17A | 120.1° | 120.0° |
| C18 | C17 | O16 | P2 | 111.5° | 180.0° |
| C18 | C17 | H17B | H17A | 119.8° | 120.0° |
| C17 | C18 | C19 | H19B | 72.5° | 175.0° |
| C17 | C18 | C19 | H19A | 46.7° | 65.0° |
| C17 | O16 | P2 | O1 | 47.1° | 55.0° |
| C17 | O16 | P2 | O3 | 179.7° | 65.0° |
| C17 | O16 | P2 | O4 | 65.6° | 175.0° |
| O16 | C17 | H17B | H17A | 119.8° | 120.0° |
| O16 | C17 | C18 | H18 | 58.8° | 175.0° |
| O16 | P2 | O1 | O3 | 126.6° | 120.0° |
| O16 | P2 | O1 | O4 | 104.5° | 120.0° |
| O16 | P2 | O3 | O4 | 106.0° | 120.0° |
| O16 | P2 | O4 | C5 | 139.8° | 175.0° |
| P2 | O16 | C17 | H17B | 128.4° | 60.0° |
| P2 | O16 | C17 | H17A | 8.6° | 60.0° |
| O16 | P2 | O3 | H1 | 125.7° | 60.0° |
| O1 | P2 | O3 | O4 | 128.3° | 120.0° |
| O1 | P2 | O4 | C5 | 28.2° | 55.0° |
| O1 | P2 | O3 | H1 | 0.0° | 180.0° |
| O3 | P2 | O4 | C5 | 106.0° | 65.0° |
| P2 | O4 | C5 | C6 | 114.9° | 120.0° |
| P2 | O4 | C5 | C14 | 121.8° | 120.0° |
| P2 | O4 | C5 | H5 | 3.4° | 0.1° |
| O4 | P2 | O3 | H1 | 128.3° | 60.0° |
| O4 | C5 | C6 | C14 | 121.7° | 120.0° |
| O4 | C5 | C6 | H5 | 119.0° | 120.0° |
| O4 | C5 | C14 | H5 | 119.2° | 120.0° |
| O4 | C5 | C6 | O7 | 40.6° | 60.0° |
| O4 | C5 | C6 | C8 | 164.7° | 180.0° |
| O4 | C5 | C14 | O15 | 131.6° | 60.0° |
| O4 | C5 | C14 | C12 | 105.2° | 180.0° |
| O4 | C5 | C6 | H6 | 78.7° | 60.0° |
| O4 | C5 | C14 | H14 | 13.0° | 60.0° |
| C6 | C5 | C14 | H5 | 119.4° | 120.0° |
| C5 | C6 | O7 | C8 | 123.4° | 120.0° |
| C5 | C6 | O7 | H6 | 118.5° | 120.0° |
| C5 | C6 | C8 | H6 | 116.5° | 119.9° |
| C5 | C6 | C8 | O9 | 170.9° | 180.0° |
| C5 | C6 | C8 | C10 | 66.1° | 60.0° |
| C6 | C5 | C14 | O15 | 107.0° | 180.0° |
| C6 | C5 | C14 | C12 | 16.3° | 60.0° |
| C5 | C6 | C8 | H8 | 51.9° | 60.0° |
| C6 | C5 | C14 | H14 | 134.4° | 59.9° |
| C5 | C6 | O7 | H7 | 180.0° | 180.0° |
| C14 | C5 | C6 | O7 | 81.1° | 60.0° |
| C14 | C5 | C6 | C8 | 43.1° | 60.0° |
| C5 | C14 | O15 | C12 | 124.6° | 120.0° |
| C5 | C14 | O15 | H14 | 117.7° | 120.1° |
| C5 | C14 | C12 | H14 | 118.1° | 120.0° |
| C5 | C14 | C12 | O13 | 67.1° | 180.0° |
| C5 | C14 | C12 | C10 | 57.6° | 60.0° |
| C14 | C5 | C6 | H6 | 159.7° | 180.0° |
| C5 | C14 | C12 | H12 | 175.0° | 60.0° |
| C5 | C14 | O15 | H15 | 180.0° | 180.0° |
| O7 | C6 | C8 | H6 | 118.9° | 120.0° |
| O7 | C6 | C8 | O9 | 64.5° | 60.0° |
| O7 | C6 | C8 | C10 | 58.4° | 60.0° |
| O7 | C6 | C5 | H5 | 159.5° | 180.0° |
| O7 | C6 | C8 | H8 | 176.5° | 180.0° |
| C6 | C8 | O9 | C10 | 123.5° | 120.0° |
| C6 | C8 | O9 | H8 | 118.3° | 120.0° |
| C6 | C8 | C10 | H8 | 118.1° | 120.0° |
| C6 | C8 | C10 | C12 | 24.7° | 60.0° |
| C6 | C8 | C10 | O11 | 147.8° | 180.0° |
| C8 | C6 | C5 | H5 | 76.3° | 60.0° |
| C6 | C8 | C10 | H10 | 93.6° | 59.9° |
| C8 | C6 | O7 | H7 | 56.6° | 60.0° |
| C6 | C8 | O9 | H9 | 180.0° | 180.0° |
| O9 | C8 | C10 | H8 | 119.0° | 120.1° |
| O9 | C8 | C10 | C12 | 147.6° | 180.0° |
| O9 | C8 | C10 | O11 | 89.2° | 60.0° |
| O9 | C8 | C6 | H6 | 54.3° | 60.1° |
| O9 | C8 | C10 | H10 | 29.3° | 60.0° |
| C8 | C10 | C12 | C14 | 35.1° | 60.0° |
| C8 | C10 | C12 | O13 | 89.3° | 180.0° |
| C8 | C10 | C12 | O11 | 122.6° | 120.0° |
| C8 | C10 | C12 | H10 | 118.3° | 120.1° |
| C8 | C10 | O11 | H10 | 117.8° | 120.1° |
| C10 | C8 | C6 | H6 | 177.3° | 180.0° |
| C8 | C10 | C12 | H12 | 152.6° | 60.0° |
| C8 | C10 | O11 | H11 | 180.0° | 179.9° |
| C10 | C8 | O9 | H9 | 56.5° | 60.0° |
| O15 | C14 | C12 | H14 | 118.5° | 120.0° |
| O15 | C14 | C12 | O13 | 169.5° | 60.0° |
| O15 | C14 | C12 | C10 | 65.8° | 180.0° |
| O15 | C14 | C5 | H5 | 12.4° | 60.0° |
| O15 | C14 | C12 | H12 | 51.6° | 60.0° |
| C14 | C12 | O13 | C10 | 125.6° | 120.0° |
| C14 | C12 | O13 | H12 | 117.0° | 120.1° |
| C14 | C12 | C10 | H12 | 117.4° | 120.0° |
| C14 | C12 | C10 | O11 | 87.5° | 180.0° |
| C12 | C14 | C5 | H5 | 135.7° | 59.9° |
| C14 | C12 | C10 | H10 | 153.5° | 60.0° |
| C14 | C12 | O13 | H13 | 180.0° | 180.0° |
| C12 | C14 | O15 | H15 | 55.4° | 60.0° |
| O13 | C12 | C10 | H12 | 118.1° | 120.0° |
| O13 | C12 | C10 | O11 | 148.1° | 60.0° |
| O13 | C12 | C10 | H10 | 29.0° | 60.0° |
| O13 | C12 | C14 | H14 | 51.0° | 60.0° |
| C12 | C10 | O11 | H10 | 118.2° | 119.9° |
| C12 | C10 | C8 | H8 | 93.4° | 59.9° |
| C10 | C12 | C14 | H14 | 175.8° | 60.0° |
| C12 | C10 | O11 | H11 | 56.0° | 60.0° |
| C10 | C12 | O13 | H13 | 54.4° | 60.0° |
| O11 | C10 | C8 | H8 | 29.8° | 60.0° |
| O11 | C10 | C12 | H12 | 29.9° | 60.0° |
| H5 | C5 | C6 | H6 | 40.3° | 60.0° |
| H5 | C5 | C14 | H14 | 106.2° | 179.9° |
| H6 | C6 | C8 | H8 | 64.7° | 59.9° |
| H6 | C6 | O7 | H7 | 61.5° | 60.1° |
| H8 | C8 | C10 | H10 | 148.3° | 179.9° |
| H8 | C8 | O9 | H9 | 61.8° | 60.0° |
| H10 | C10 | C12 | H12 | 89.1° | 179.9° |
| H10 | C10 | O11 | H11 | 62.2° | 60.0° |
| H17B | C17 | C18 | H18 | 178.9° | 55.0° |
| H17A | C17 | C18 | H18 | 61.2° | 65.0° |
| H24A | C24 | C23 | H23B | 174.4° | 180.0° |
| H24A | C24 | C23 | H23A | 55.5° | 60.0° |
| H24A | C24 | C25 | H25A | 89.6° | 180.0° |
| H24A | C24 | C25 | H25B | 28.3° | 60.0° |
| H24B | C24 | C23 | H23B | 66.1° | 60.0° |
| H24B | C24 | C23 | H23A | 175.1° | 179.9° |
| H24B | C24 | C25 | H25A | 150.9° | 59.9° |
| H24B | C24 | C25 | H25B | 91.2° | 180.0° |
| H26A | C26 | C25 | H25A | 155.7° | 180.0° |
| H26A | C26 | C25 | H25B | 37.8° | 59.9° |
| H26A | C26 | C27 | H27B | 162.2° | 180.0° |
| H26A | C26 | C27 | H27A | 78.4° | 60.0° |
| H26B | C26 | C25 | H25A | 38.2° | 60.0° |
| H26B | C26 | C25 | H25B | 79.7° | 179.9° |
| H26B | C26 | C27 | H27B | 44.7° | 60.1° |
| H26B | C26 | C27 | H27A | 164.2° | 180.0° |
| H28A | C28 | C27 | H27B | 170.7° | 180.0° |
| H28A | C28 | C27 | H27A | 51.2° | 60.0° |
| H28A | C28 | C29 | H29A | 24.2° | 180.0° |
| H28A | C28 | C29 | H29B | 142.9° | 60.0° |
| H28B | C28 | C27 | H27B | 70.8° | 60.1° |
| H28B | C28 | C27 | H27A | 169.7° | 180.0° |
| H28B | C28 | C29 | H29A | 142.7° | 60.0° |
| H28B | C28 | C29 | H29B | 98.7° | 180.0° |
| H12 | C12 | C14 | H14 | 66.8° | 180.0° |
| H12 | C12 | O13 | H13 | 62.9° | 60.0° |
| H14 | C14 | O15 | H15 | 62.3° | 59.9° |
| H18 | C18 | C19 | H19B | 167.3° | 64.9° |
| H18 | C18 | C19 | H19A | 73.5° | 55.1° |
| H29A | C29 | C30 | H30B | 66.2° | 180.0° |
| H29A | C29 | C30 | H30A | 52.5° | 60.1° |
| H29B | C29 | C30 | H30B | 175.2° | 60.0° |
| H29B | C29 | C30 | H30A | 66.1° | 180.0° |
| H37B | C37 | C38 | H38B | 165.9° | 60.1° |
| H37B | C37 | C38 | H38A | 75.3° | 180.0° |
| H37B | C37 | C36 | H36B | 96.3° | 180.0° |
| H37B | C37 | C36 | H36A | 22.1° | 60.1° |
| H37A | C37 | C38 | H38B | 47.6° | 180.0° |
| H37A | C37 | C38 | H38A | 166.4° | 60.0° |
| H37A | C37 | C36 | H36B | 145.4° | 60.0° |
| H37A | C37 | C36 | H36A | 96.2° | 180.0° |
| H38B | C38 | C39 | H39A | 59.4° | 59.9° |
| H38B | C38 | C39 | H39C | 60.6° | 180.0° |
| H38B | C38 | C39 | H39B | 179.4° | 60.0° |
| H38A | C38 | C39 | H39A | 59.4° | 60.0° |
| H38A | C38 | C39 | H39C | 179.4° | 60.0° |
| H38A | C38 | C39 | H39B | 60.6° | 180.0° |
| H39A | C39 | H39C | H39B | 120.0° | 120.0° |
| H43A | C43 | C44 | H44B | 63.6° | 180.0° |
| H43A | C43 | C44 | H44A | 177.6° | 60.1° |
| H43B | C43 | C44 | H44B | 55.9° | 60.0° |
| H43B | C43 | C44 | H44A | 62.9° | 180.0° |
| H30B | C30 | C31 | H31B | 126.3° | 180.0° |
| H30B | C30 | C31 | H31A | 115.2° | 60.0° |
| H30A | C30 | C31 | H31B | 7.6° | 60.0° |
| H30A | C30 | C31 | H31A | 126.1° | 180.0° |
| H31B | C31 | C32 | H32A | 69.9° | 179.9° |
| H31B | C31 | C32 | H32B | 171.7° | 60.0° |
| H31A | C31 | C32 | H32A | 48.6° | 59.9° |
| H31A | C31 | C32 | H32B | 69.8° | 180.0° |
| H32A | C32 | C33 | H33A | 148.8° | 180.0° |
| H32A | C32 | C33 | H33B | 92.7° | 59.9° |
| H32B | C32 | C33 | H33A | 30.4° | 60.0° |
| H32B | C32 | C33 | H33B | 148.8° | 179.9° |
| H33A | C33 | C34 | H34B | 52.5° | 180.0° |
| H33A | C33 | C34 | H34A | 170.9° | 60.0° |
| H33B | C33 | C34 | H34B | 66.0° | 60.0° |
| H33B | C33 | C34 | H34A | 52.4° | 180.0° |
| H34B | C34 | C35 | H35B | 119.0° | 180.0° |
| H34B | C34 | C35 | H35A | 0.8° | 60.0° |
| H34A | C34 | C35 | H35B | 122.6° | 60.0° |
| H34A | C34 | C35 | H35A | 119.2° | 179.9° |
| H35B | C35 | C36 | H36B | 97.1° | 60.0° |
| H35B | C35 | C36 | H36A | 21.3° | 180.0° |
| H35A | C35 | C36 | H36B | 144.7° | 180.0° |
| H35A | C35 | C36 | H36A | 97.0° | 60.0° |
| H44B | C44 | C45 | H45B | 164.7° | 180.0° |
| H44B | C44 | C45 | H45A | 46.1° | 60.1° |
| H44A | C44 | C45 | H45B | 76.5° | 60.1° |
| H44A | C44 | C45 | H45A | 164.9° | 180.0° |
| H45B | C45 | C46 | H46B | 66.3° | 180.0° |
| H45B | C45 | C46 | H46A | 175.2° | 59.9° |
| H45A | C45 | C46 | H46B | 52.3° | 60.0° |
| H45A | C45 | C46 | H46A | 66.2° | 179.9° |
| H46B | C46 | C47 | H47A | 168.3° | 180.0° |
| H46B | C46 | C47 | H47B | 72.9° | 60.0° |
| H46A | C46 | C47 | H47A | 49.8° | 60.0° |
| H46A | C46 | C47 | H47B | 168.6° | 180.0° |
| H47A | C47 | C48 | H48B | 86.6° | NaN° |
| H47A | C47 | C48 | H48A | 31.8° | 60.0° |
| H47B | C47 | C48 | H48B | 154.6° | 60.0° |
| H47B | C47 | C48 | H48A | 86.9° | 179.9° |
| H48B | C48 | C49 | H49B | 100.6° | NaN° |
| H48B | C48 | C49 | H49A | 141.1° | 60.0° |
| H48A | C48 | C49 | H49B | 17.8° | 60.0° |
| H48A | C48 | C49 | H49A | 100.5° | 180.0° |
| H49B | C49 | C50 | H50A | 177.7° | 180.0° |
| H49B | C49 | C50 | H50B | 58.2° | 60.0° |
| H49A | C49 | C50 | H50A | 64.0° | 59.9° |
| H49A | C49 | C50 | H50B | 176.5° | NaN° |
| H50A | C50 | C51 | H51B | 158.0° | 180.0° |
| H50A | C50 | C51 | H51A | 39.1° | 60.0° |
| H50B | C50 | C51 | H51B | 82.6° | 60.0° |
| H50B | C50 | C51 | H51A | 158.6° | 180.0° |
| H51B | C51 | C52 | H52B | 70.5° | 180.0° |
| H51B | C51 | C52 | H52A | 48.7° | 60.0° |
| H51A | C51 | C52 | H52B | 170.7° | 60.0° |
| H51A | C51 | C52 | H52A | 70.2° | 180.0° |
| H52B | C52 | C53 | H53B | 119.9° | NaN° |
| H52B | C52 | C53 | H53A | 121.5° | 60.0° |
| H52A | C52 | C53 | H53B | 0.8° | 60.0° |
| H52A | C52 | C53 | H53A | 119.4° | 180.0° |
| H53B | C53 | C54 | H54A | 83.4° | 180.0° |
| H53B | C53 | C54 | H54B | 158.1° | 60.0° |
| H53A | C53 | C54 | H54A | 35.2° | 60.0° |
| H53A | C53 | C54 | H54B | 83.3° | 179.9° |
| H54A | C54 | C55 | H55B | 73.1° | 180.0° |
| H54A | C54 | C55 | H55A | 168.2° | 60.0° |
| H54B | C54 | C55 | H55B | 45.4° | 60.0° |
| H54B | C54 | C55 | H55A | 73.3° | NaN° |
| H55B | C55 | C56 | H56B | 164.3° | 180.0° |
| H55B | C55 | C56 | H56A | 45.8° | 60.1° |
| H55A | C55 | C56 | H56B | 77.0° | 60.0° |
| H55A | C55 | C56 | H56A | 164.5° | 180.0° |
| H56B | C56 | C57 | H57B | 140.5° | 180.0° |
| H56B | C56 | C57 | H57A | 100.4° | 60.1° |
| H56A | C56 | C57 | H57B | 21.9° | 60.0° |
| H56A | C56 | C57 | H57A | 141.1° | 180.0° |
| H57B | C57 | C58 | H58A | 58.0° | 180.0° |
| H57B | C57 | C58 | H58B | 177.3° | 60.0° |
| H57A | C57 | C58 | H58A | 61.1° | 60.0° |
| H57A | C57 | C58 | H58B | 58.1° | 180.0° |
| H58A | C58 | C59 | H59C | 59.6° | 180.0° |
| H58A | C58 | C59 | H59B | 60.4° | 60.0° |
| H58A | C58 | C59 | H59A | 179.6° | 60.0° |
| H58B | C58 | C59 | H59C | 59.6° | 60.0° |
| H58B | C58 | C59 | H59B | 179.7° | 179.9° |
| H58B | C58 | C59 | H59A | 60.4° | 60.1° |
| H59C | C59 | H59B | H59A | 120.0° | 120.0° |
