A1E2O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O40 | C39 | sing | 1.43Å | 0.00Å | |
| C43 | O42 | sing | 1.43Å | 0.00Å | |
| O42 | C41 | sing | 1.43Å | 0.00Å | |
| C38 | C37 | sing | 1.53Å | 0.00Å | |
| C39 | C37 | sing | 1.53Å | 0.00Å | |
| C39 | C41 | sing | 1.53Å | 0.00Å | |
| C37 | O36 | sing | 1.43Å | 0.00Å | |
| C41 | C44 | sing | 1.53Å | 0.00Å | |
| C5 | C4 | sing | 1.53Å | 0.00Å | |
| C20 | O21 | doub | 1.21Å | 0.00Å | |
| C20 | C19 | sing | 1.51Å | 0.00Å | |
| O36 | C35 | sing | 1.43Å | 0.00Å | |
| O65 | C1 | sing | 1.43Å | 0.00Å | |
| O65 | C63 | sing | 1.43Å | 0.00Å | |
| C44 | C35 | sing | 1.53Å | 0.00Å | |
| C44 | O45 | sing | 1.43Å | 0.00Å | |
| C1 | C57 | sing | 1.53Å | 0.00Å | |
| C1 | O2 | sing | 1.43Å | 0.00Å | |
| O26 | C25 | doub | 1.21Å | 0.00Å | |
| C35 | O34 | sing | 1.43Å | 0.00Å | |
| C57 | C58 | sing | 1.53Å | 0.00Å | |
| C19 | C18 | sing | 1.53Å | 0.00Å | |
| C64 | C63 | sing | 1.53Å | 0.00Å | |
| O45 | C46 | sing | 1.43Å | 0.00Å | |
| C61 | C63 | sing | 1.53Å | 0.00Å | |
| C61 | C58 | sing | 1.53Å | 0.00Å | |
| C61 | O62 | sing | 1.43Å | 0.00Å | |
| C4 | O6 | sing | 1.43Å | 0.00Å | |
| C4 | C3 | sing | 1.53Å | 0.00Å | |
| C59 | C58 | sing | 1.53Å | 0.00Å | |
| O2 | C3 | sing | 1.43Å | 0.00Å | |
| C58 | O60 | sing | 1.43Å | 0.00Å | |
| C25 | C23 | sing | 1.51Å | 0.00Å | |
| C25 | C27 | sing | 1.41Å | 0.00Å | |
| O6 | C7 | sing | 1.43Å | 0.00Å | |
| O34 | C33 | sing | 1.43Å | 0.00Å | |
| C3 | C53 | sing | 1.53Å | 0.00Å | |
| C33 | C32 | sing | 1.53Å | 0.00Å | |
| C18 | C22 | sing | 1.53Å | 0.00Å | |
| C18 | C9 | sing | 1.53Å | 0.00Å | |
| C23 | C22 | sing | 1.53Å | 0.00Å | |
| C23 | C24 | sing | 1.53Å | 0.00Å | |
| C28 | C27 | doub | 1.36Å | 0.00Å | |
| C28 | C29 | sing | 1.46Å | 0.00Å | |
| C49 | C50 | sing | 1.53Å | 0.00Å | |
| C49 | C47 | sing | 1.53Å | 0.00Å | |
| C31 | C32 | sing | 1.51Å | 0.00Å | |
| C31 | C29 | doub | 1.34Å | 0.00Å | |
| O16 | C15 | doub | 1.21Å | 0.00Å | |
| C9 | O8 | sing | 1.43Å | 0.00Å | |
| C9 | C10 | sing | 1.53Å | 0.00Å | |
| C32 | C47 | sing | 1.53Å | 0.00Å | |
| C29 | C30 | sing | 1.51Å | 0.00Å | |
| C7 | O8 | sing | 1.43Å | 0.00Å | |
| C7 | C51 | sing | 1.53Å | 0.00Å | |
| O13 | C12 | sing | 1.43Å | 0.00Å | |
| C12 | C10 | sing | 1.53Å | 0.00Å | |
| C12 | C14 | sing | 1.53Å | 0.00Å | |
| C15 | O17 | sing | 1.34Å | 0.00Å | |
| C15 | C14 | sing | 1.51Å | 0.00Å | |
| C47 | O48 | sing | 1.43Å | 0.00Å | |
| C53 | C51 | sing | 1.53Å | 0.00Å | |
| C53 | N54 | sing | 1.47Å | 0.00Å | |
| C51 | O52 | sing | 1.43Å | 0.00Å | |
| C10 | C11 | sing | 1.53Å | 0.00Å | |
| N54 | C55 | sing | 1.47Å | 0.00Å | |
| N54 | C56 | sing | 1.47Å | 0.00Å | |
| C4 | H1 | sing | 1.09Å | 0.00Å | |
| C5 | H2 | sing | 1.09Å | 0.00Å | |
| C5 | H3 | sing | 1.09Å | 0.00Å | |
| C5 | H4 | sing | 1.09Å | 0.00Å | |
| C7 | H5 | sing | 1.09Å | 0.00Å | |
| C10 | H6 | sing | 1.09Å | 0.00Å | |
| C20 | H7 | sing | 1.08Å | 0.00Å | |
| C22 | H8 | sing | 1.09Å | 0.00Å | |
| C22 | H9 | sing | 1.09Å | 0.00Å | |
| C24 | H10 | sing | 1.09Å | 0.00Å | |
| C24 | H11 | sing | 1.09Å | 0.00Å | |
| C24 | H12 | sing | 1.09Å | 0.00Å | |
| C28 | H13 | sing | 1.08Å | 0.00Å | |
| C1 | H14 | sing | 1.09Å | 0.00Å | |
| C11 | H15 | sing | 1.09Å | 0.00Å | |
| C11 | H16 | sing | 1.09Å | 0.00Å | |
| C11 | H17 | sing | 1.09Å | 0.00Å | |
| C12 | H18 | sing | 1.09Å | 0.00Å | |
| C14 | H19 | sing | 1.09Å | 0.00Å | |
| C14 | H20 | sing | 1.09Å | 0.00Å | |
| C18 | H21 | sing | 1.09Å | 0.00Å | |
| C19 | H22 | sing | 1.09Å | 0.00Å | |
| C19 | H23 | sing | 1.09Å | 0.00Å | |
| C23 | H24 | sing | 1.09Å | 0.00Å | |
| C27 | H25 | sing | 1.08Å | 0.00Å | |
| C3 | H26 | sing | 1.09Å | 0.00Å | |
| C30 | H27 | sing | 1.09Å | 0.00Å | |
| C30 | H28 | sing | 1.09Å | 0.00Å | |
| C30 | H29 | sing | 1.09Å | 0.00Å | |
| C31 | H30 | sing | 1.08Å | 0.00Å | |
| C32 | H31 | sing | 1.09Å | 0.00Å | |
| C33 | H32 | sing | 1.09Å | 0.00Å | |
| C33 | H33 | sing | 1.09Å | 0.00Å | |
| C35 | H34 | sing | 1.09Å | 0.00Å | |
| C37 | H35 | sing | 1.09Å | 0.00Å | |
| C38 | H36 | sing | 1.09Å | 0.00Å | |
| C38 | H37 | sing | 1.09Å | 0.00Å | |
| C38 | H38 | sing | 1.09Å | 0.00Å | |
| C39 | H39 | sing | 1.09Å | 0.00Å | |
| C41 | H40 | sing | 1.09Å | 0.00Å | |
| C43 | H41 | sing | 1.09Å | 0.00Å | |
| C43 | H42 | sing | 1.09Å | 0.00Å | |
| C43 | H43 | sing | 1.09Å | 0.00Å | |
| C44 | H44 | sing | 1.09Å | 0.00Å | |
| C46 | H45 | sing | 1.09Å | 0.00Å | |
| C46 | H46 | sing | 1.09Å | 0.00Å | |
| C46 | H47 | sing | 1.09Å | 0.00Å | |
| C47 | H48 | sing | 1.09Å | 0.00Å | |
| C49 | H49 | sing | 1.09Å | 0.00Å | |
| C49 | H50 | sing | 1.09Å | 0.00Å | |
| C50 | H51 | sing | 1.09Å | 0.00Å | |
| C50 | H52 | sing | 1.09Å | 0.00Å | |
| C50 | H53 | sing | 1.09Å | 0.00Å | |
| C51 | H54 | sing | 1.09Å | 0.00Å | |
| C53 | H55 | sing | 1.09Å | 0.00Å | |
| C55 | H56 | sing | 1.09Å | 0.00Å | |
| C55 | H57 | sing | 1.09Å | 0.00Å | |
| C55 | H58 | sing | 1.09Å | 0.00Å | |
| C56 | H59 | sing | 1.09Å | 0.00Å | |
| C56 | H60 | sing | 1.09Å | 0.00Å | |
| C56 | H61 | sing | 1.09Å | 0.00Å | |
| C57 | H62 | sing | 1.09Å | 0.00Å | |
| C57 | H63 | sing | 1.09Å | 0.00Å | |
| C59 | H64 | sing | 1.09Å | 0.00Å | |
| C59 | H65 | sing | 1.09Å | 0.00Å | |
| C59 | H66 | sing | 1.09Å | 0.00Å | |
| C61 | H67 | sing | 1.09Å | 0.00Å | |
| C63 | H68 | sing | 1.09Å | 0.00Å | |
| C64 | H69 | sing | 1.09Å | 0.00Å | |
| C64 | H70 | sing | 1.09Å | 0.00Å | |
| C64 | H71 | sing | 1.09Å | 0.00Å | |
| C9 | H72 | sing | 1.09Å | 0.00Å | |
| O13 | H74 | sing | 0.97Å | 0.00Å | |
| O17 | H75 | sing | 0.97Å | 0.00Å | |
| O40 | H76 | sing | 0.97Å | 0.00Å | |
| O48 | H77 | sing | 0.97Å | 0.00Å | |
| O52 | H78 | sing | 0.97Å | 0.00Å | |
| O60 | H79 | sing | 0.97Å | 0.00Å | |
| O62 | H80 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O40 | C39 | C37 | 90.0° | 109.5° |
| O40 | C39 | C41 | 90.0° | 109.5° |
| O40 | C39 | H39 | 90.0° | 109.6° |
| C39 | O40 | H76 | 90.0° | 114.0° |
| C43 | O42 | C41 | 90.0° | 114.0° |
| O42 | C43 | H41 | 90.0° | 109.5° |
| O42 | C43 | H42 | 90.0° | 109.4° |
| O42 | C43 | H43 | 90.0° | 109.4° |
| O42 | C41 | C39 | 90.0° | 109.5° |
| O42 | C41 | C44 | 90.0° | 109.5° |
| O42 | C41 | H40 | 90.0° | 109.6° |
| C38 | C37 | C39 | 90.0° | 109.5° |
| C38 | C37 | O36 | 90.0° | 109.5° |
| C38 | C37 | H35 | 90.0° | 109.5° |
| C37 | C38 | H36 | 90.0° | 109.5° |
| C37 | C38 | H37 | 90.0° | 109.5° |
| C37 | C38 | H38 | 90.0° | 109.5° |
| C37 | C39 | C41 | 90.0° | 109.2° |
| C39 | C37 | O36 | 90.0° | 109.4° |
| C39 | C37 | H35 | 90.0° | 109.5° |
| C37 | C39 | H39 | 90.0° | 109.5° |
| C39 | C41 | C44 | 90.0° | 109.1° |
| C41 | C39 | H39 | 90.0° | 109.5° |
| C39 | C41 | H40 | 90.0° | 109.5° |
| C37 | O36 | C35 | 90.0° | 114.1° |
| O36 | C37 | H35 | 90.0° | 109.4° |
| C41 | C44 | C35 | 90.0° | 109.2° |
| C41 | C44 | O45 | 90.0° | 109.5° |
| C44 | C41 | H40 | 90.0° | 109.6° |
| C41 | C44 | H44 | 90.0° | 109.5° |
| C5 | C4 | O6 | 90.0° | 109.5° |
| C5 | C4 | C3 | 90.0° | 109.5° |
| C5 | C4 | H1 | 90.0° | 109.5° |
| C4 | C5 | H2 | 90.0° | 109.5° |
| C4 | C5 | H3 | 90.0° | 109.5° |
| C4 | C5 | H4 | 90.0° | 109.5° |
| O21 | C20 | C19 | 90.0° | 120.0° |
| O21 | C20 | H7 | 90.0° | 120.0° |
| C20 | C19 | C18 | 90.0° | 109.4° |
| C19 | C20 | H7 | 90.0° | 120.0° |
| C20 | C19 | H22 | 90.0° | 109.5° |
| C20 | C19 | H23 | 90.0° | 109.4° |
| O36 | C35 | C44 | 90.0° | 109.5° |
| O36 | C35 | O34 | 90.0° | 109.5° |
| O36 | C35 | H34 | 90.0° | 109.4° |
| C1 | O65 | C63 | 90.0° | 114.1° |
| O65 | C1 | C57 | 90.0° | 109.4° |
| O65 | C1 | O2 | 90.0° | 109.5° |
| O65 | C1 | H14 | 90.0° | 109.5° |
| O65 | C63 | C64 | 90.0° | 109.5° |
| O65 | C63 | C61 | 90.0° | 109.4° |
| O65 | C63 | H68 | 90.0° | 109.5° |
| C35 | C44 | O45 | 90.0° | 109.6° |
| C44 | C35 | O34 | 90.0° | 109.5° |
| C44 | C35 | H34 | 90.0° | 109.4° |
| C35 | C44 | H44 | 90.0° | 109.5° |
| C44 | O45 | C46 | 90.0° | 114.0° |
| O45 | C44 | H44 | 90.0° | 109.6° |
| C57 | C1 | O2 | 90.0° | 109.5° |
| C1 | C57 | C58 | 90.0° | 109.1° |
| C57 | C1 | H14 | 90.0° | 109.5° |
| C1 | C57 | H62 | 90.0° | 109.6° |
| C1 | C57 | H63 | 90.0° | 109.5° |
| C1 | O2 | C3 | 90.0° | 114.0° |
| O2 | C1 | H14 | 90.0° | 109.5° |
| O26 | C25 | C23 | 90.0° | 120.0° |
| O26 | C25 | C27 | 90.0° | 120.0° |
| C35 | O34 | C33 | 90.0° | 114.0° |
| O34 | C35 | H34 | 90.0° | 109.5° |
| C57 | C58 | C61 | 90.0° | 109.1° |
| C57 | C58 | C59 | 90.0° | 109.6° |
| C57 | C58 | O60 | 90.0° | 109.6° |
| C58 | C57 | H62 | 90.0° | 109.5° |
| C58 | C57 | H63 | 90.0° | 109.5° |
| C19 | C18 | C22 | 90.0° | 109.5° |
| C19 | C18 | C9 | 90.0° | 109.5° |
| C19 | C18 | H21 | 90.0° | 109.5° |
| C18 | C19 | H22 | 90.0° | 109.5° |
| C18 | C19 | H23 | 90.0° | 109.4° |
| C64 | C63 | C61 | 90.0° | 109.5° |
| C64 | C63 | H68 | 90.0° | 109.5° |
| C63 | C64 | H69 | 90.0° | 109.5° |
| C63 | C64 | H70 | 90.0° | 109.5° |
| C63 | C64 | H71 | 90.0° | 109.4° |
| O45 | C46 | H45 | 90.0° | 109.5° |
| O45 | C46 | H46 | 90.0° | 109.5° |
| O45 | C46 | H47 | 90.0° | 109.5° |
| C63 | C61 | C58 | 90.0° | 109.2° |
| C63 | C61 | O62 | 90.0° | 109.5° |
| C63 | C61 | H67 | 90.0° | 109.5° |
| C61 | C63 | H68 | 90.0° | 109.4° |
| C58 | C61 | O62 | 90.0° | 109.6° |
| C61 | C58 | C59 | 90.0° | 109.6° |
| C61 | C58 | O60 | 90.0° | 109.5° |
| C58 | C61 | H67 | 90.0° | 109.5° |
| O62 | C61 | H67 | 90.0° | 109.6° |
| C61 | O62 | H80 | 90.0° | 114.0° |
| O6 | C4 | C3 | 90.0° | 109.4° |
| C4 | O6 | C7 | 90.0° | 114.1° |
| O6 | C4 | H1 | 90.0° | 109.5° |
| C4 | C3 | O2 | 90.0° | 109.5° |
| C4 | C3 | C53 | 90.0° | 109.1° |
| C3 | C4 | H1 | 90.0° | 109.4° |
| C4 | C3 | H26 | 90.0° | 109.5° |
| C59 | C58 | O60 | 90.0° | 109.6° |
| C58 | C59 | H64 | 90.0° | 109.5° |
| C58 | C59 | H65 | 90.0° | 109.5° |
| C58 | C59 | H66 | 90.0° | 109.5° |
| O2 | C3 | C53 | 90.0° | 109.5° |
| O2 | C3 | H26 | 90.0° | 109.6° |
| C58 | O60 | H79 | 90.0° | 114.0° |
| C23 | C25 | C27 | 90.0° | 120.0° |
| C25 | C23 | C22 | 90.0° | 109.5° |
| C25 | C23 | C24 | 90.0° | 109.4° |
| C25 | C23 | H24 | 90.0° | 109.5° |
| C25 | C27 | C28 | 90.0° | 120.0° |
| C25 | C27 | H25 | 90.0° | 120.0° |
| O6 | C7 | O8 | 90.0° | 109.5° |
| O6 | C7 | C51 | 90.0° | 109.4° |
| O6 | C7 | H5 | 90.0° | 109.5° |
| O34 | C33 | C32 | 90.0° | 109.5° |
| O34 | C33 | H32 | 90.0° | 109.5° |
| O34 | C33 | H33 | 90.0° | 109.5° |
| C3 | C53 | C51 | 90.0° | 109.0° |
| C3 | C53 | N54 | 90.0° | 109.6° |
| C53 | C3 | H26 | 90.0° | 109.5° |
| C3 | C53 | H55 | 90.0° | 109.6° |
| C33 | C32 | C31 | 90.0° | 109.5° |
| C33 | C32 | C47 | 90.0° | 109.5° |
| C33 | C32 | H31 | 90.0° | 109.5° |
| C32 | C33 | H32 | 90.0° | 109.5° |
| C32 | C33 | H33 | 90.0° | 109.5° |
| C22 | C18 | C9 | 90.0° | 109.5° |
| C18 | C22 | C23 | 90.0° | 109.5° |
| C18 | C22 | H8 | 90.0° | 109.5° |
| C18 | C22 | H9 | 90.0° | 109.5° |
| C22 | C18 | H21 | 90.0° | 109.4° |
| C18 | C9 | O8 | 90.0° | 109.5° |
| C18 | C9 | C10 | 90.0° | 109.5° |
| C9 | C18 | H21 | 90.0° | 109.5° |
| C18 | C9 | H72 | 90.0° | 109.5° |
| C22 | C23 | C24 | 90.0° | 109.4° |
| C23 | C22 | H8 | 90.0° | 109.5° |
| C23 | C22 | H9 | 90.0° | 109.4° |
| C22 | C23 | H24 | 90.0° | 109.5° |
| C23 | C24 | H10 | 90.0° | 109.5° |
| C23 | C24 | H11 | 90.0° | 109.5° |
| C23 | C24 | H12 | 90.0° | 109.4° |
| C24 | C23 | H24 | 90.0° | 109.5° |
| C27 | C28 | C29 | 90.0° | 120.0° |
| C27 | C28 | H13 | 90.0° | 120.0° |
| C28 | C27 | H25 | 90.0° | 120.0° |
| C28 | C29 | C31 | 90.0° | 120.0° |
| C28 | C29 | C30 | 90.0° | 120.0° |
| C29 | C28 | H13 | 90.0° | 120.0° |
| C50 | C49 | C47 | 90.0° | 109.5° |
| C50 | C49 | H49 | 90.0° | 109.4° |
| C50 | C49 | H50 | 90.0° | 109.4° |
| C49 | C50 | H51 | 90.0° | 109.5° |
| C49 | C50 | H52 | 90.0° | 109.5° |
| C49 | C50 | H53 | 90.0° | 109.5° |
| C49 | C47 | C32 | 90.0° | 109.5° |
| C49 | C47 | O48 | 90.0° | 109.5° |
| C49 | C47 | H48 | 90.0° | 109.4° |
| C47 | C49 | H49 | 90.0° | 109.5° |
| C47 | C49 | H50 | 90.0° | 109.5° |
| C32 | C31 | C29 | 90.0° | 120.0° |
| C31 | C32 | C47 | 90.0° | 109.5° |
| C32 | C31 | H30 | 90.0° | 120.0° |
| C31 | C32 | H31 | 90.0° | 109.5° |
| C31 | C29 | C30 | 90.0° | 120.0° |
| C29 | C31 | H30 | 90.0° | 120.0° |
| O16 | C15 | O17 | 90.0° | 120.0° |
| O16 | C15 | C14 | 90.0° | 120.0° |
| O8 | C9 | C10 | 90.0° | 109.4° |
| C9 | O8 | C7 | 90.0° | 114.0° |
| O8 | C9 | H72 | 90.0° | 109.5° |
| C9 | C10 | C12 | 90.0° | 109.4° |
| C9 | C10 | C11 | 90.0° | 109.4° |
| C9 | C10 | H6 | 90.0° | 109.5° |
| C10 | C9 | H72 | 90.0° | 109.5° |
| C32 | C47 | O48 | 90.0° | 109.5° |
| C47 | C32 | H31 | 90.0° | 109.5° |
| C32 | C47 | H48 | 90.0° | 109.5° |
| C29 | C30 | H27 | 90.0° | 109.5° |
| C29 | C30 | H28 | 90.0° | 109.5° |
| C29 | C30 | H29 | 90.0° | 109.5° |
| O8 | C7 | C51 | 90.0° | 109.5° |
| O8 | C7 | H5 | 90.0° | 109.5° |
| C7 | C51 | C53 | 90.0° | 109.2° |
| C7 | C51 | O52 | 90.0° | 109.5° |
| C51 | C7 | H5 | 90.0° | 109.5° |
| C7 | C51 | H54 | 90.0° | 109.6° |
| O13 | C12 | C10 | 90.0° | 109.5° |
| O13 | C12 | C14 | 90.0° | 109.5° |
| O13 | C12 | H18 | 90.0° | 109.5° |
| C12 | O13 | H74 | 90.0° | 114.0° |
| C10 | C12 | C14 | 90.0° | 109.4° |
| C12 | C10 | C11 | 90.0° | 109.5° |
| C12 | C10 | H6 | 90.0° | 109.5° |
| C10 | C12 | H18 | 90.0° | 109.4° |
| C12 | C14 | C15 | 90.0° | 109.5° |
| C14 | C12 | H18 | 90.0° | 109.5° |
| C12 | C14 | H19 | 90.0° | 109.4° |
| C12 | C14 | H20 | 90.0° | 109.5° |
| O17 | C15 | C14 | 90.0° | 120.0° |
| C15 | O17 | H75 | 90.0° | 117.0° |
| C15 | C14 | H19 | 90.0° | 109.5° |
| C15 | C14 | H20 | 90.0° | 109.5° |
| O48 | C47 | H48 | 90.0° | 109.5° |
| C47 | O48 | H77 | 90.0° | 114.0° |
| C51 | C53 | N54 | 90.0° | 109.5° |
| C53 | C51 | O52 | 90.0° | 109.5° |
| C53 | C51 | H54 | 90.0° | 109.6° |
| C51 | C53 | H55 | 90.0° | 109.5° |
| C53 | N54 | C55 | 90.0° | 111.0° |
| C53 | N54 | C56 | 90.0° | 111.0° |
| N54 | C53 | H55 | 90.0° | 109.6° |
| O52 | C51 | H54 | 90.0° | 109.5° |
| C51 | O52 | H78 | 90.0° | 114.0° |
| C11 | C10 | H6 | 90.0° | 109.5° |
| C10 | C11 | H15 | 90.0° | 109.5° |
| C10 | C11 | H16 | 90.0° | 109.4° |
| C10 | C11 | H17 | 90.0° | 109.5° |
| C55 | N54 | C56 | 90.0° | 111.0° |
| N54 | C55 | H56 | 90.0° | 109.4° |
| N54 | C55 | H57 | 90.0° | 109.4° |
| N54 | C55 | H58 | 90.0° | 109.5° |
| N54 | C56 | H59 | 90.0° | 109.5° |
| N54 | C56 | H60 | 90.0° | 109.5° |
| N54 | C56 | H61 | 90.0° | 109.4° |
| H2 | C5 | H3 | 90.0° | 109.5° |
| H2 | C5 | H4 | 90.0° | 109.5° |
| H3 | C5 | H4 | 90.0° | 109.4° |
| H8 | C22 | H9 | 90.0° | 109.4° |
| H10 | C24 | H11 | 90.0° | 109.5° |
| H10 | C24 | H12 | 90.0° | 109.5° |
| H11 | C24 | H12 | 90.0° | 109.4° |
| H15 | C11 | H16 | 90.0° | 109.4° |
| H15 | C11 | H17 | 90.0° | 109.5° |
| H16 | C11 | H17 | 90.0° | 109.5° |
| H19 | C14 | H20 | 90.0° | 109.4° |
| H22 | C19 | H23 | 90.0° | 109.5° |
| H27 | C30 | H28 | 90.0° | 109.5° |
| H27 | C30 | H29 | 90.0° | 109.5° |
| H28 | C30 | H29 | 90.0° | 109.4° |
| H32 | C33 | H33 | 90.0° | 109.4° |
| H36 | C38 | H37 | 90.0° | 109.4° |
| H36 | C38 | H38 | 90.0° | 109.4° |
| H37 | C38 | H38 | 90.0° | 109.5° |
| H41 | C43 | H42 | 90.0° | 109.5° |
| H41 | C43 | H43 | 90.0° | 109.5° |
| H42 | C43 | H43 | 90.0° | 109.5° |
| H45 | C46 | H46 | 90.0° | 109.5° |
| H45 | C46 | H47 | 90.0° | 109.5° |
| H46 | C46 | H47 | 90.0° | 109.4° |
| H49 | C49 | H50 | 90.0° | 109.5° |
| H51 | C50 | H52 | 90.0° | 109.4° |
| H51 | C50 | H53 | 90.0° | 109.5° |
| H52 | C50 | H53 | 90.0° | 109.5° |
| H56 | C55 | H57 | 90.0° | 109.5° |
| H56 | C55 | H58 | 90.0° | 109.5° |
| H57 | C55 | H58 | 90.0° | 109.5° |
| H59 | C56 | H60 | 90.0° | 109.5° |
| H59 | C56 | H61 | 90.0° | 109.5° |
| H60 | C56 | H61 | 90.0° | 109.5° |
| H62 | C57 | H63 | 90.0° | 109.6° |
| H64 | C59 | H65 | 90.0° | 109.4° |
| H64 | C59 | H66 | 90.0° | 109.5° |
| H65 | C59 | H66 | 90.0° | 109.5° |
| H69 | C64 | H70 | 90.0° | 109.4° |
| H69 | C64 | H71 | 90.0° | 109.5° |
| H70 | C64 | H71 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O40 | C39 | C41 | O42 | 90.0° | 57.0° |
| O40 | C39 | C37 | C38 | 90.0° | 62.5° |
| O40 | C39 | C37 | C41 | 90.0° | 119.9° |
| O40 | C39 | C37 | H39 | 90.0° | 120.2° |
| O40 | C39 | C41 | H39 | 90.0° | 120.3° |
| O40 | C39 | C37 | O36 | 90.0° | 177.5° |
| O40 | C39 | C41 | C44 | 90.0° | 176.9° |
| O40 | C39 | C37 | H35 | 90.0° | 57.6° |
| O40 | C39 | C41 | H40 | 90.0° | 63.2° |
| C43 | O42 | C41 | C39 | 90.0° | 90.0° |
| C43 | O42 | C41 | C44 | 90.0° | 150.4° |
| C43 | O42 | C41 | H40 | 90.0° | 30.2° |
| O42 | C43 | H41 | H42 | 90.0° | 119.9° |
| O42 | C43 | H41 | H43 | 90.0° | 120.0° |
| O42 | C43 | H42 | H43 | 90.0° | 120.0° |
| O42 | C41 | C39 | C37 | 90.0° | 62.9° |
| O42 | C41 | C39 | C44 | 90.0° | 119.9° |
| O42 | C41 | C39 | H40 | 90.0° | 120.2° |
| O42 | C41 | C44 | H40 | 90.0° | 120.2° |
| O42 | C41 | C44 | C35 | 90.0° | 62.9° |
| O42 | C41 | C44 | O45 | 90.0° | 57.0° |
| O42 | C41 | C39 | H39 | 90.0° | 177.3° |
| C41 | O42 | C43 | H41 | 90.0° | 180.0° |
| C41 | O42 | C43 | H42 | 90.0° | 60.0° |
| C41 | O42 | C43 | H43 | 90.0° | 60.0° |
| O42 | C41 | C44 | H44 | 90.0° | 177.2° |
| C38 | C37 | C39 | O36 | 90.0° | 120.0° |
| C38 | C37 | C39 | H35 | 90.0° | 120.1° |
| C38 | C37 | C39 | C41 | 90.0° | 177.6° |
| C38 | C37 | O36 | H35 | 90.0° | 120.0° |
| C38 | C37 | O36 | C35 | 90.0° | 178.9° |
| C37 | C38 | H36 | H37 | 90.0° | 120.1° |
| C37 | C38 | H36 | H38 | 90.0° | 120.0° |
| C37 | C38 | H37 | H38 | 90.0° | 120.1° |
| C38 | C37 | C39 | H39 | 90.0° | 57.7° |
| C37 | C39 | C41 | H39 | 90.0° | 119.8° |
| C39 | C37 | O36 | H35 | 90.0° | 120.0° |
| C37 | C39 | C41 | C44 | 90.0° | 57.0° |
| C39 | C37 | O36 | C35 | 90.0° | 61.1° |
| C39 | C37 | C38 | H36 | 90.0° | 179.9° |
| C39 | C37 | C38 | H37 | 90.0° | 60.1° |
| C39 | C37 | C38 | H38 | 90.0° | 60.0° |
| C37 | C39 | C41 | H40 | 90.0° | 176.9° |
| C37 | C39 | O40 | H76 | 90.0° | 59.9° |
| C41 | C39 | C37 | O36 | 90.0° | 57.6° |
| C39 | C41 | C44 | H40 | 90.0° | 119.9° |
| C39 | C41 | C44 | C35 | 90.0° | 56.9° |
| C39 | C41 | C44 | O45 | 90.0° | 176.9° |
| C41 | C39 | C37 | H35 | 90.0° | 62.3° |
| C39 | C41 | C44 | H44 | 90.0° | 62.9° |
| C41 | C39 | O40 | H76 | 90.0° | 179.6° |
| C37 | O36 | C35 | C44 | 90.0° | 61.1° |
| C37 | O36 | C35 | O34 | 90.0° | 178.9° |
| C37 | O36 | C35 | H34 | 90.0° | 58.9° |
| O36 | C37 | C38 | H36 | 90.0° | 59.9° |
| O36 | C37 | C38 | H37 | 90.0° | 179.9° |
| O36 | C37 | C38 | H38 | 90.0° | 60.0° |
| O36 | C37 | C39 | H39 | 90.0° | 62.3° |
| C41 | C44 | C35 | O36 | 90.0° | 57.5° |
| C41 | C44 | C35 | O45 | 90.0° | 119.9° |
| C41 | C44 | C35 | H44 | 90.0° | 119.9° |
| C41 | C44 | O45 | H44 | 90.0° | 120.1° |
| C41 | C44 | C35 | O34 | 90.0° | 177.6° |
| C41 | C44 | O45 | C46 | 90.0° | 150.0° |
| C41 | C44 | C35 | H34 | 90.0° | 62.4° |
| C44 | C41 | C39 | H39 | 90.0° | 62.9° |
| C5 | C4 | O6 | C3 | 90.0° | 120.0° |
| C5 | C4 | O6 | H1 | 90.0° | 120.1° |
| C5 | C4 | C3 | H1 | 90.0° | 120.0° |
| C5 | C4 | C3 | O2 | 90.0° | 62.5° |
| C5 | C4 | O6 | C7 | 90.0° | 178.9° |
| C5 | C4 | C3 | C53 | 90.0° | 177.6° |
| C4 | C5 | H2 | H3 | 90.0° | 120.0° |
| C4 | C5 | H2 | H4 | 90.0° | 120.0° |
| C4 | C5 | H3 | H4 | 90.0° | 119.9° |
| C5 | C4 | C3 | H26 | 90.0° | 57.7° |
| O21 | C20 | C19 | H7 | 90.0° | 180.0° |
| O21 | C20 | C19 | C18 | 90.0° | 124.0° |
| O21 | C20 | C19 | H22 | 90.0° | 116.0° |
| O21 | C20 | C19 | H23 | 90.0° | 4.1° |
| C20 | C19 | C18 | H22 | 90.0° | 120.0° |
| C20 | C19 | C18 | H23 | 90.0° | 119.9° |
| C20 | C19 | C18 | C22 | 90.0° | 65.9° |
| C20 | C19 | C18 | C9 | 90.0° | 174.1° |
| C20 | C19 | C18 | H21 | 90.0° | 54.1° |
| C20 | C19 | H22 | H23 | 90.0° | 120.0° |
| O36 | C35 | C44 | O34 | 90.0° | 120.1° |
| O36 | C35 | C44 | H34 | 90.0° | 119.9° |
| O36 | C35 | C44 | O45 | 90.0° | 177.5° |
| O36 | C35 | O34 | H34 | 90.0° | 120.0° |
| O36 | C35 | O34 | C33 | 90.0° | 65.0° |
| C35 | O36 | C37 | H35 | 90.0° | 58.9° |
| O36 | C35 | C44 | H44 | 90.0° | 62.3° |
| O65 | C1 | C57 | O2 | 90.0° | 120.0° |
| O65 | C1 | C57 | H14 | 90.0° | 120.0° |
| O65 | C1 | O2 | H14 | 90.0° | 120.0° |
| O65 | C1 | C57 | C58 | 90.0° | 57.6° |
| C1 | O65 | C63 | C64 | 90.0° | 178.9° |
| C1 | O65 | C63 | C61 | 90.0° | 61.1° |
| O65 | C1 | O2 | C3 | 90.0° | 74.1° |
| O65 | C1 | C57 | H62 | 90.0° | 62.3° |
| O65 | C1 | C57 | H63 | 90.0° | 177.5° |
| C1 | O65 | C63 | H68 | 90.0° | 58.8° |
| C63 | O65 | C1 | C57 | 90.0° | 61.2° |
| C63 | O65 | C1 | O2 | 90.0° | 58.8° |
| O65 | C63 | C64 | C61 | 90.0° | 120.0° |
| O65 | C63 | C64 | H68 | 90.0° | 120.0° |
| O65 | C63 | C61 | H68 | 90.0° | 119.9° |
| O65 | C63 | C61 | C58 | 90.0° | 57.5° |
| O65 | C63 | C61 | O62 | 90.0° | 177.5° |
| C63 | O65 | C1 | H14 | 90.0° | 178.9° |
| O65 | C63 | C61 | H67 | 90.0° | 62.3° |
| O65 | C63 | C64 | H69 | 90.0° | 180.0° |
| O65 | C63 | C64 | H70 | 90.0° | 60.0° |
| O65 | C63 | C64 | H71 | 90.0° | 59.9° |
| C35 | C44 | O45 | H44 | 90.0° | 120.2° |
| C44 | C35 | O34 | H34 | 90.0° | 120.0° |
| C35 | C44 | O45 | C46 | 90.0° | 90.3° |
| C44 | C35 | O34 | C33 | 90.0° | 175.0° |
| C35 | C44 | C41 | H40 | 90.0° | 176.8° |
| O45 | C44 | C35 | O34 | 90.0° | 62.5° |
| O45 | C44 | C35 | H34 | 90.0° | 57.5° |
| O45 | C44 | C41 | H40 | 90.0° | 63.2° |
| C44 | O45 | C46 | H45 | 90.0° | 60.0° |
| C44 | O45 | C46 | H46 | 90.0° | 60.0° |
| C44 | O45 | C46 | H47 | 90.0° | 180.0° |
| C57 | C1 | O2 | H14 | 90.0° | 120.0° |
| C1 | C57 | C58 | H62 | 90.0° | 119.9° |
| C1 | C57 | C58 | H63 | 90.0° | 119.8° |
| C1 | C57 | C58 | C61 | 90.0° | 57.0° |
| C1 | C57 | C58 | C59 | 90.0° | 177.0° |
| C57 | C1 | O2 | C3 | 90.0° | 165.9° |
| C1 | C57 | C58 | O60 | 90.0° | 62.8° |
| C1 | C57 | H62 | H63 | 90.0° | 120.2° |
| O2 | C1 | C57 | C58 | 90.0° | 62.4° |
| C1 | O2 | C3 | C4 | 90.0° | 97.5° |
| C1 | O2 | C3 | C53 | 90.0° | 142.8° |
| C1 | O2 | C3 | H26 | 90.0° | 22.7° |
| O2 | C1 | C57 | H62 | 90.0° | 177.7° |
| O2 | C1 | C57 | H63 | 90.0° | 57.5° |
| O26 | C25 | C23 | C27 | 90.0° | 180.0° |
| O26 | C25 | C23 | C22 | 90.0° | 25.0° |
| O26 | C25 | C23 | C24 | 90.0° | 95.0° |
| O26 | C25 | C27 | C28 | 90.0° | 0.0° |
| O26 | C25 | C23 | H24 | 90.0° | 145.0° |
| O26 | C25 | C27 | H25 | 90.0° | 180.0° |
| C35 | O34 | C33 | C32 | 90.0° | 179.9° |
| C35 | O34 | C33 | H32 | 90.0° | 59.9° |
| C35 | O34 | C33 | H33 | 90.0° | 60.0° |
| O34 | C35 | C44 | H44 | 90.0° | 57.8° |
| C57 | C58 | C61 | C63 | 90.0° | 57.0° |
| C57 | C58 | C61 | C59 | 90.0° | 119.9° |
| C57 | C58 | C61 | O60 | 90.0° | 119.9° |
| C57 | C58 | C61 | O62 | 90.0° | 176.9° |
| C57 | C58 | C59 | O60 | 90.0° | 120.2° |
| C58 | C57 | C1 | H14 | 90.0° | 177.6° |
| C58 | C57 | H62 | H63 | 90.0° | 120.2° |
| C57 | C58 | C59 | H64 | 90.0° | 60.0° |
| C57 | C58 | C59 | H65 | 90.0° | 180.0° |
| C57 | C58 | C59 | H66 | 90.0° | 60.0° |
| C57 | C58 | C61 | H67 | 90.0° | 62.9° |
| C57 | C58 | O60 | H79 | 90.0° | 60.0° |
| C19 | C18 | C22 | C9 | 90.0° | 120.0° |
| C19 | C18 | C22 | H21 | 90.0° | 120.0° |
| C19 | C18 | C9 | H21 | 90.0° | 120.0° |
| C19 | C18 | C22 | C23 | 90.0° | 152.6° |
| C19 | C18 | C9 | O8 | 90.0° | 67.2° |
| C19 | C18 | C9 | C10 | 90.0° | 172.8° |
| C18 | C19 | C20 | H7 | 90.0° | 56.0° |
| C19 | C18 | C22 | H8 | 90.0° | 32.6° |
| C19 | C18 | C22 | H9 | 90.0° | 87.4° |
| C18 | C19 | H22 | H23 | 90.0° | 120.0° |
| C19 | C18 | C9 | H72 | 90.0° | 52.8° |
| C64 | C63 | C61 | H68 | 90.0° | 120.0° |
| C64 | C63 | C61 | C58 | 90.0° | 177.6° |
| C64 | C63 | C61 | O62 | 90.0° | 62.4° |
| C64 | C63 | C61 | H67 | 90.0° | 57.7° |
| C63 | C64 | H69 | H70 | 90.0° | 120.0° |
| C63 | C64 | H69 | H71 | 90.0° | 120.0° |
| C63 | C64 | H70 | H71 | 90.0° | 120.0° |
| C46 | O45 | C44 | H44 | 90.0° | 29.9° |
| O45 | C46 | H45 | H46 | 90.0° | 120.0° |
| O45 | C46 | H45 | H47 | 90.0° | 120.0° |
| O45 | C46 | H46 | H47 | 90.0° | 120.0° |
| C63 | C61 | C58 | O62 | 90.0° | 119.9° |
| C63 | C61 | C58 | H67 | 90.0° | 119.8° |
| C63 | C61 | O62 | H67 | 90.0° | 120.1° |
| C63 | C61 | C58 | C59 | 90.0° | 176.9° |
| C63 | C61 | C58 | O60 | 90.0° | 62.9° |
| C61 | C63 | C64 | H69 | 90.0° | 60.0° |
| C61 | C63 | C64 | H70 | 90.0° | 180.0° |
| C61 | C63 | C64 | H71 | 90.0° | 60.0° |
| C63 | C61 | O62 | H80 | 90.0° | 60.0° |
| C58 | C61 | O62 | H67 | 90.0° | 120.2° |
| C61 | C58 | C59 | O60 | 90.0° | 120.2° |
| C61 | C58 | C57 | H62 | 90.0° | 62.9° |
| C61 | C58 | C57 | H63 | 90.0° | 176.8° |
| C61 | C58 | C59 | H64 | 90.0° | 179.6° |
| C61 | C58 | C59 | H65 | 90.0° | 60.4° |
| C61 | C58 | C59 | H66 | 90.0° | 59.6° |
| C58 | C61 | C63 | H68 | 90.0° | 62.4° |
| C61 | C58 | O60 | H79 | 90.0° | 179.6° |
| C58 | C61 | O62 | H80 | 90.0° | 179.7° |
| O62 | C61 | C58 | C59 | 90.0° | 63.2° |
| O62 | C61 | C58 | O60 | 90.0° | 57.0° |
| O62 | C61 | C63 | H68 | 90.0° | 57.6° |
| O6 | C4 | C3 | H1 | 90.0° | 120.0° |
| O6 | C4 | C3 | O2 | 90.0° | 177.5° |
| O6 | C4 | C3 | C53 | 90.0° | 57.6° |
| C4 | O6 | C7 | O8 | 90.0° | 178.8° |
| C4 | O6 | C7 | C51 | 90.0° | 61.2° |
| O6 | C4 | C5 | H2 | 90.0° | 53.3° |
| O6 | C4 | C5 | H3 | 90.0° | 173.3° |
| O6 | C4 | C5 | H4 | 90.0° | 66.7° |
| C4 | O6 | C7 | H5 | 90.0° | 58.9° |
| O6 | C4 | C3 | H26 | 90.0° | 62.3° |
| C4 | C3 | O2 | C53 | 90.0° | 119.7° |
| C4 | C3 | O2 | H26 | 90.0° | 120.2° |
| C3 | C4 | O6 | C7 | 90.0° | 61.2° |
| C4 | C3 | C53 | H26 | 90.0° | 119.9° |
| C4 | C3 | C53 | C51 | 90.0° | 57.0° |
| C4 | C3 | C53 | N54 | 90.0° | 176.8° |
| C3 | C4 | C5 | H2 | 90.0° | 173.2° |
| C3 | C4 | C5 | H3 | 90.0° | 66.7° |
| C3 | C4 | C5 | H4 | 90.0° | 53.2° |
| C4 | C3 | C53 | H55 | 90.0° | 62.9° |
| C59 | C58 | C57 | H62 | 90.0° | 57.0° |
| C59 | C58 | C57 | H63 | 90.0° | 63.2° |
| C58 | C59 | H64 | H65 | 90.0° | 120.0° |
| C58 | C59 | H64 | H66 | 90.0° | 120.0° |
| C58 | C59 | H65 | H66 | 90.0° | 120.0° |
| C59 | C58 | C61 | H67 | 90.0° | 57.1° |
| C59 | C58 | O60 | H79 | 90.0° | 60.2° |
| O2 | C3 | C53 | H26 | 90.0° | 120.2° |
| O2 | C3 | C53 | C51 | 90.0° | 176.9° |
| O2 | C3 | C53 | N54 | 90.0° | 63.2° |
| O2 | C3 | C4 | H1 | 90.0° | 57.5° |
| C3 | O2 | C1 | H14 | 90.0° | 45.9° |
| O2 | C3 | C53 | H55 | 90.0° | 57.0° |
| O60 | C58 | C57 | H62 | 90.0° | 177.2° |
| O60 | C58 | C57 | H63 | 90.0° | 57.0° |
| O60 | C58 | C59 | H64 | 90.0° | 60.2° |
| O60 | C58 | C59 | H65 | 90.0° | 59.8° |
| O60 | C58 | C59 | H66 | 90.0° | 179.8° |
| O60 | C58 | C61 | H67 | 90.0° | 177.3° |
| C25 | C23 | C22 | C18 | 90.0° | 173.5° |
| C25 | C23 | C22 | C24 | 90.0° | 119.9° |
| C25 | C23 | C22 | H24 | 90.0° | 120.0° |
| C25 | C23 | C24 | H24 | 90.0° | 120.0° |
| C23 | C25 | C27 | C28 | 90.0° | 180.0° |
| C25 | C23 | C22 | H8 | 90.0° | 66.5° |
| C25 | C23 | C22 | H9 | 90.0° | 53.5° |
| C25 | C23 | C24 | H10 | 90.0° | 56.0° |
| C25 | C23 | C24 | H11 | 90.0° | 64.1° |
| C25 | C23 | C24 | H12 | 90.0° | 176.0° |
| C23 | C25 | C27 | H25 | 90.0° | 0.0° |
| C27 | C25 | C23 | C22 | 90.0° | 155.0° |
| C27 | C25 | C23 | C24 | 90.0° | 85.0° |
| C25 | C27 | C28 | H25 | 90.0° | 180.0° |
| C25 | C27 | C28 | C29 | 90.0° | 174.3° |
| C25 | C27 | C28 | H13 | 90.0° | 5.6° |
| C27 | C25 | C23 | H24 | 90.0° | 35.0° |
| O6 | C7 | O8 | C9 | 90.0° | 69.7° |
| O6 | C7 | O8 | C51 | 90.0° | 119.9° |
| O6 | C7 | O8 | H5 | 90.0° | 120.0° |
| O6 | C7 | C51 | H5 | 90.0° | 120.0° |
| O6 | C7 | C51 | C53 | 90.0° | 57.6° |
| O6 | C7 | C51 | O52 | 90.0° | 177.5° |
| C7 | O6 | C4 | H1 | 90.0° | 58.8° |
| O6 | C7 | C51 | H54 | 90.0° | 62.4° |
| O34 | C33 | C32 | H32 | 90.0° | 120.0° |
| O34 | C33 | C32 | H33 | 90.0° | 120.0° |
| O34 | C33 | C32 | C31 | 90.0° | 175.0° |
| O34 | C33 | C32 | C47 | 90.0° | 65.0° |
| O34 | C33 | C32 | H31 | 90.0° | 55.0° |
| O34 | C33 | H32 | H33 | 90.0° | 120.0° |
| C33 | O34 | C35 | H34 | 90.0° | 55.1° |
| C3 | C53 | C51 | C7 | 90.0° | 57.0° |
| C3 | C53 | C51 | N54 | 90.0° | 119.9° |
| C3 | C53 | C51 | H55 | 90.0° | 119.9° |
| C3 | C53 | N54 | H55 | 90.0° | 120.2° |
| C3 | C53 | C51 | O52 | 90.0° | 176.9° |
| C3 | C53 | N54 | C55 | 90.0° | 166.7° |
| C3 | C53 | N54 | C56 | 90.0° | 69.3° |
| C53 | C3 | C4 | H1 | 90.0° | 62.4° |
| C3 | C53 | C51 | H54 | 90.0° | 63.0° |
| C33 | C32 | C47 | C49 | 90.0° | 179.9° |
| C33 | C32 | C31 | C47 | 90.0° | 120.0° |
| C33 | C32 | C31 | H31 | 90.0° | 120.0° |
| C33 | C32 | C31 | C29 | 90.0° | 114.6° |
| C33 | C32 | C47 | H31 | 90.0° | 120.0° |
| C33 | C32 | C47 | O48 | 90.0° | 60.0° |
| C33 | C32 | C31 | H30 | 90.0° | 65.3° |
| C32 | C33 | H32 | H33 | 90.0° | 120.0° |
| C33 | C32 | C47 | H48 | 90.0° | 60.0° |
| C22 | C18 | C9 | H21 | 90.0° | 120.0° |
| C18 | C22 | C23 | H8 | 90.0° | 120.1° |
| C18 | C22 | C23 | H9 | 90.0° | 120.0° |
| C18 | C22 | C23 | C24 | 90.0° | 66.6° |
| C22 | C18 | C9 | O8 | 90.0° | 52.7° |
| C22 | C18 | C9 | C10 | 90.0° | 67.2° |
| C18 | C22 | H8 | H9 | 90.0° | 120.0° |
| C22 | C18 | C19 | H22 | 90.0° | 54.2° |
| C22 | C18 | C19 | H23 | 90.0° | 174.2° |
| C18 | C22 | C23 | H24 | 90.0° | 53.4° |
| C22 | C18 | C9 | H72 | 90.0° | 172.8° |
| C9 | C18 | C22 | C23 | 90.0° | 87.4° |
| C18 | C9 | O8 | C10 | 90.0° | 120.0° |
| C18 | C9 | O8 | H72 | 90.0° | 120.0° |
| C18 | C9 | C10 | H72 | 90.0° | 120.0° |
| C18 | C9 | O8 | C7 | 90.0° | 138.1° |
| C18 | C9 | C10 | C12 | 90.0° | 60.3° |
| C18 | C9 | C10 | C11 | 90.0° | 179.7° |
| C18 | C9 | C10 | H6 | 90.0° | 59.7° |
| C9 | C18 | C22 | H8 | 90.0° | 152.6° |
| C9 | C18 | C22 | H9 | 90.0° | 32.6° |
| C9 | C18 | C19 | H22 | 90.0° | 65.8° |
| C9 | C18 | C19 | H23 | 90.0° | 54.2° |
| C22 | C23 | C24 | H24 | 90.0° | 120.0° |
| C23 | C22 | H8 | H9 | 90.0° | 119.9° |
| C22 | C23 | C24 | H10 | 90.0° | 63.9° |
| C22 | C23 | C24 | H11 | 90.0° | 176.0° |
| C22 | C23 | C24 | H12 | 90.0° | 56.1° |
| C23 | C22 | C18 | H21 | 90.0° | 32.6° |
| C24 | C23 | C22 | H8 | 90.0° | 53.5° |
| C24 | C23 | C22 | H9 | 90.0° | 173.4° |
| C23 | C24 | H10 | H11 | 90.0° | 120.0° |
| C23 | C24 | H10 | H12 | 90.0° | 119.9° |
| C23 | C24 | H11 | H12 | 90.0° | 119.9° |
| C27 | C28 | C29 | H13 | 90.0° | 179.9° |
| C27 | C28 | C29 | C31 | 90.0° | 174.6° |
| C27 | C28 | C29 | C30 | 90.0° | 5.4° |
| C28 | C29 | C31 | C32 | 90.0° | 175.1° |
| C28 | C29 | C31 | C30 | 90.0° | 180.0° |
| C29 | C28 | C27 | H25 | 90.0° | 5.7° |
| C28 | C29 | C30 | H27 | 90.0° | 4.3° |
| C28 | C29 | C30 | H28 | 90.0° | 115.7° |
| C28 | C29 | C30 | H29 | 90.0° | 124.3° |
| C28 | C29 | C31 | H30 | 90.0° | 4.8° |
| C50 | C49 | C47 | H49 | 90.0° | 120.0° |
| C50 | C49 | C47 | H50 | 90.0° | 120.0° |
| C50 | C49 | C47 | C32 | 90.0° | 175.0° |
| C50 | C49 | C47 | O48 | 90.0° | 65.0° |
| C50 | C49 | C47 | H48 | 90.0° | 55.0° |
| C50 | C49 | H49 | H50 | 90.0° | 120.0° |
| C49 | C50 | H51 | H52 | 90.0° | 120.0° |
| C49 | C50 | H51 | H53 | 90.0° | 120.1° |
| C49 | C50 | H52 | H53 | 90.0° | 120.0° |
| C49 | C47 | C32 | C31 | 90.0° | 60.0° |
| C49 | C47 | C32 | O48 | 90.0° | 120.0° |
| C49 | C47 | C32 | H48 | 90.0° | 120.0° |
| C49 | C47 | O48 | H48 | 90.0° | 120.0° |
| C49 | C47 | C32 | H31 | 90.0° | 60.0° |
| C47 | C49 | H49 | H50 | 90.0° | 120.0° |
| C47 | C49 | C50 | H51 | 90.0° | 180.0° |
| C47 | C49 | C50 | H52 | 90.0° | 60.0° |
| C47 | C49 | C50 | H53 | 90.0° | 60.0° |
| C49 | C47 | O48 | H77 | 90.0° | 60.0° |
| C32 | C31 | C29 | H30 | 90.0° | 179.9° |
| C31 | C32 | C47 | H31 | 90.0° | 120.0° |
| C32 | C31 | C29 | C30 | 90.0° | 4.9° |
| C31 | C32 | C47 | O48 | 90.0° | 60.0° |
| C31 | C32 | C33 | H32 | 90.0° | 65.0° |
| C31 | C32 | C33 | H33 | 90.0° | 55.0° |
| C31 | C32 | C47 | H48 | 90.0° | 180.0° |
| C29 | C31 | C32 | C47 | 90.0° | 125.4° |
| C31 | C29 | C28 | H13 | 90.0° | 5.4° |
| C31 | C29 | C30 | H27 | 90.0° | 175.7° |
| C31 | C29 | C30 | H28 | 90.0° | 64.3° |
| C31 | C29 | C30 | H29 | 90.0° | 55.7° |
| C29 | C31 | C32 | H31 | 90.0° | 5.4° |
| O16 | C15 | C14 | C12 | 90.0° | 0.0° |
| O16 | C15 | O17 | C14 | 90.0° | 180.0° |
| O16 | C15 | C14 | H19 | 90.0° | 120.0° |
| O16 | C15 | C14 | H20 | 90.0° | 120.1° |
| O16 | C15 | O17 | H75 | 90.0° | 0.0° |
| O8 | C9 | C10 | H72 | 90.0° | 120.0° |
| C9 | O8 | C7 | C51 | 90.0° | 170.4° |
| O8 | C9 | C10 | C12 | 90.0° | 179.7° |
| O8 | C9 | C10 | C11 | 90.0° | 59.7° |
| C9 | O8 | C7 | H5 | 90.0° | 50.3° |
| O8 | C9 | C10 | H6 | 90.0° | 60.3° |
| O8 | C9 | C18 | H21 | 90.0° | 172.7° |
| C10 | C9 | O8 | C7 | 90.0° | 102.0° |
| C9 | C10 | C12 | O13 | 90.0° | 63.6° |
| C9 | C10 | C12 | C11 | 90.0° | 119.9° |
| C9 | C10 | C12 | H6 | 90.0° | 120.0° |
| C9 | C10 | C12 | C14 | 90.0° | 176.3° |
| C9 | C10 | C11 | H6 | 90.0° | 120.0° |
| C9 | C10 | C11 | H15 | 90.0° | 61.4° |
| C9 | C10 | C11 | H16 | 90.0° | 178.7° |
| C9 | C10 | C11 | H17 | 90.0° | 58.6° |
| C9 | C10 | C12 | H18 | 90.0° | 56.4° |
| C10 | C9 | C18 | H21 | 90.0° | 52.8° |
| C32 | C47 | O48 | H48 | 90.0° | 120.0° |
| C47 | C32 | C31 | H30 | 90.0° | 54.6° |
| C47 | C32 | C33 | H32 | 90.0° | 55.0° |
| C47 | C32 | C33 | H33 | 90.0° | 175.0° |
| C32 | C47 | C49 | H49 | 90.0° | 55.0° |
| C32 | C47 | C49 | H50 | 90.0° | 65.0° |
| C32 | C47 | O48 | H77 | 90.0° | 60.0° |
| C30 | C29 | C28 | H13 | 90.0° | 174.6° |
| C29 | C30 | H27 | H28 | 90.0° | 120.0° |
| C29 | C30 | H27 | H29 | 90.0° | 120.0° |
| C29 | C30 | H28 | H29 | 90.0° | 120.0° |
| C30 | C29 | C31 | H30 | 90.0° | 175.2° |
| O8 | C7 | C51 | H5 | 90.0° | 120.0° |
| O8 | C7 | C51 | C53 | 90.0° | 177.6° |
| O8 | C7 | C51 | O52 | 90.0° | 62.5° |
| O8 | C7 | C51 | H54 | 90.0° | 57.6° |
| C7 | O8 | C9 | H72 | 90.0° | 18.0° |
| C7 | C51 | C53 | O52 | 90.0° | 119.9° |
| C7 | C51 | C53 | H54 | 90.0° | 120.0° |
| C7 | C51 | C53 | N54 | 90.0° | 176.9° |
| C7 | C51 | O52 | H54 | 90.0° | 120.2° |
| C7 | C51 | C53 | H55 | 90.0° | 62.9° |
| C7 | C51 | O52 | H78 | 90.0° | 60.0° |
| O13 | C12 | C10 | C14 | 90.0° | 120.0° |
| O13 | C12 | C10 | H18 | 90.0° | 120.0° |
| O13 | C12 | C14 | H18 | 90.0° | 120.1° |
| O13 | C12 | C14 | C15 | 90.0° | 65.0° |
| O13 | C12 | C10 | C11 | 90.0° | 56.3° |
| O13 | C12 | C10 | H6 | 90.0° | 176.4° |
| O13 | C12 | C14 | H19 | 90.0° | 55.0° |
| O13 | C12 | C14 | H20 | 90.0° | 175.0° |
| C10 | C12 | C14 | H18 | 90.0° | 119.9° |
| C10 | C12 | C14 | C15 | 90.0° | 175.0° |
| C12 | C10 | C11 | H6 | 90.0° | 120.1° |
| C12 | C10 | C11 | H15 | 90.0° | 58.5° |
| C12 | C10 | C11 | H16 | 90.0° | 61.4° |
| C12 | C10 | C11 | H17 | 90.0° | 178.6° |
| C10 | C12 | C14 | H19 | 90.0° | 65.0° |
| C10 | C12 | C14 | H20 | 90.0° | 54.9° |
| C12 | C10 | C9 | H72 | 90.0° | 59.7° |
| C10 | C12 | O13 | H74 | 90.0° | 60.0° |
| C12 | C14 | C15 | O17 | 90.0° | 180.0° |
| C12 | C14 | C15 | H19 | 90.0° | 120.0° |
| C12 | C14 | C15 | H20 | 90.0° | 120.1° |
| C14 | C12 | C10 | C11 | 90.0° | 63.7° |
| C14 | C12 | C10 | H6 | 90.0° | 56.3° |
| C12 | C14 | H19 | H20 | 90.0° | 120.0° |
| C14 | C12 | O13 | H74 | 90.0° | 60.0° |
| O17 | C15 | C14 | H19 | 90.0° | 60.0° |
| O17 | C15 | C14 | H20 | 90.0° | 60.0° |
| C15 | C14 | C12 | H18 | 90.0° | 55.1° |
| C15 | C14 | H19 | H20 | 90.0° | 120.0° |
| C14 | C15 | O17 | H75 | 90.0° | 180.0° |
| O48 | C47 | C32 | H31 | 90.0° | 180.0° |
| O48 | C47 | C49 | H49 | 90.0° | 175.0° |
| O48 | C47 | C49 | H50 | 90.0° | 55.0° |
| C51 | C53 | N54 | H55 | 90.0° | 120.2° |
| C53 | C51 | O52 | H54 | 90.0° | 120.2° |
| C51 | C53 | N54 | C55 | 90.0° | 73.7° |
| C51 | C53 | N54 | C56 | 90.0° | 50.3° |
| C53 | C51 | C7 | H5 | 90.0° | 62.4° |
| C51 | C53 | C3 | H26 | 90.0° | 62.9° |
| C53 | C51 | O52 | H78 | 90.0° | 179.7° |
| N54 | C53 | C51 | O52 | 90.0° | 63.2° |
| C53 | N54 | C55 | C56 | 90.0° | 124.0° |
| N54 | C53 | C3 | H26 | 90.0° | 56.9° |
| N54 | C53 | C51 | H54 | 90.0° | 56.9° |
| C53 | N54 | C55 | H56 | 90.0° | 68.1° |
| C53 | N54 | C55 | H57 | 90.0° | 171.8° |
| C53 | N54 | C55 | H58 | 90.0° | 51.9° |
| C53 | N54 | C56 | H59 | 90.0° | 56.0° |
| C53 | N54 | C56 | H60 | 90.0° | 176.0° |
| C53 | N54 | C56 | H61 | 90.0° | 64.0° |
| O52 | C51 | C7 | H5 | 90.0° | 57.5° |
| O52 | C51 | C53 | H55 | 90.0° | 57.0° |
| C10 | C11 | H15 | H16 | 90.0° | 119.9° |
| C10 | C11 | H15 | H17 | 90.0° | 120.1° |
| C10 | C11 | H16 | H17 | 90.0° | 120.0° |
| C11 | C10 | C12 | H18 | 90.0° | 176.3° |
| C11 | C10 | C9 | H72 | 90.0° | 60.3° |
| C55 | N54 | C53 | H55 | 90.0° | 46.5° |
| N54 | C55 | H56 | H57 | 90.0° | 120.0° |
| N54 | C55 | H56 | H58 | 90.0° | 120.0° |
| N54 | C55 | H57 | H58 | 90.0° | 120.0° |
| C55 | N54 | C56 | H59 | 90.0° | 180.0° |
| C55 | N54 | C56 | H60 | 90.0° | 60.0° |
| C55 | N54 | C56 | H61 | 90.0° | 60.0° |
| C56 | N54 | C53 | H55 | 90.0° | 170.5° |
| C56 | N54 | C55 | H56 | 90.0° | 55.9° |
| C56 | N54 | C55 | H57 | 90.0° | 64.2° |
| C56 | N54 | C55 | H58 | 90.0° | 175.8° |
| N54 | C56 | H59 | H60 | 90.0° | 120.0° |
| N54 | C56 | H59 | H61 | 90.0° | 120.0° |
| N54 | C56 | H60 | H61 | 90.0° | 120.0° |
| H1 | C4 | C5 | H2 | 90.0° | 66.8° |
| H1 | C4 | C5 | H3 | 90.0° | 53.3° |
| H1 | C4 | C5 | H4 | 90.0° | 173.2° |
| H1 | C4 | C3 | H26 | 90.0° | 177.7° |
| H2 | C5 | H3 | H4 | 90.0° | 120.0° |
| H5 | C7 | C51 | H54 | 90.0° | 177.6° |
| H6 | C10 | C11 | H15 | 90.0° | 178.6° |
| H6 | C10 | C11 | H16 | 90.0° | 58.7° |
| H6 | C10 | C11 | H17 | 90.0° | 61.4° |
| H6 | C10 | C12 | H18 | 90.0° | 63.6° |
| H6 | C10 | C9 | H72 | 90.0° | 179.7° |
| H7 | C20 | C19 | H22 | 90.0° | 64.0° |
| H7 | C20 | C19 | H23 | 90.0° | 175.9° |
| H8 | C22 | C18 | H21 | 90.0° | 87.4° |
| H8 | C22 | C23 | H24 | 90.0° | 173.5° |
| H9 | C22 | C18 | H21 | 90.0° | 152.6° |
| H9 | C22 | C23 | H24 | 90.0° | 66.6° |
| H10 | C24 | H11 | H12 | 90.0° | 120.0° |
| H10 | C24 | C23 | H24 | 90.0° | 176.1° |
| H11 | C24 | C23 | H24 | 90.0° | 56.0° |
| H12 | C24 | C23 | H24 | 90.0° | 63.9° |
| H13 | C28 | C27 | H25 | 90.0° | 174.3° |
| H14 | C1 | C57 | H62 | 90.0° | 57.7° |
| H14 | C1 | C57 | H63 | 90.0° | 62.5° |
| H15 | C11 | H16 | H17 | 90.0° | 120.0° |
| H18 | C12 | C14 | H19 | 90.0° | 175.0° |
| H18 | C12 | C14 | H20 | 90.0° | 65.0° |
| H18 | C12 | O13 | H74 | 90.0° | 179.9° |
| H21 | C18 | C19 | H22 | 90.0° | 174.1° |
| H21 | C18 | C19 | H23 | 90.0° | 65.8° |
| H21 | C18 | C9 | H72 | 90.0° | 67.2° |
| H26 | C3 | C53 | H55 | 90.0° | 177.2° |
| H27 | C30 | H28 | H29 | 90.0° | 120.0° |
| H30 | C31 | C32 | H31 | 90.0° | 174.6° |
| H31 | C32 | C33 | H32 | 90.0° | 175.0° |
| H31 | C32 | C33 | H33 | 90.0° | 65.0° |
| H31 | C32 | C47 | H48 | 90.0° | 60.0° |
| H34 | C35 | C44 | H44 | 90.0° | 177.8° |
| H35 | C37 | C38 | H36 | 90.0° | 60.0° |
| H35 | C37 | C38 | H37 | 90.0° | 60.0° |
| H35 | C37 | C38 | H38 | 90.0° | 180.0° |
| H35 | C37 | C39 | H39 | 90.0° | 177.8° |
| H36 | C38 | H37 | H38 | 90.0° | 119.9° |
| H39 | C39 | C41 | H40 | 90.0° | 57.0° |
| H39 | C39 | O40 | H76 | 90.0° | 60.2° |
| H40 | C41 | C44 | H44 | 90.0° | 57.0° |
| H41 | C43 | H42 | H43 | 90.0° | 120.1° |
| H45 | C46 | H46 | H47 | 90.0° | 120.0° |
| H48 | C47 | C49 | H49 | 90.0° | 65.0° |
| H48 | C47 | C49 | H50 | 90.0° | 175.0° |
| H48 | C47 | O48 | H77 | 90.0° | 179.9° |
| H49 | C49 | C50 | H51 | 90.0° | 60.0° |
| H49 | C49 | C50 | H52 | 90.0° | 179.9° |
| H49 | C49 | C50 | H53 | 90.0° | 60.1° |
| H50 | C49 | C50 | H51 | 90.0° | 60.0° |
| H50 | C49 | C50 | H52 | 90.0° | 60.0° |
| H50 | C49 | C50 | H53 | 90.0° | 180.0° |
| H51 | C50 | H52 | H53 | 90.0° | 119.9° |
| H54 | C51 | C53 | H55 | 90.0° | 177.1° |
| H54 | C51 | O52 | H78 | 90.0° | 60.1° |
| H56 | C55 | H57 | H58 | 90.0° | 120.0° |
| H59 | C56 | H60 | H61 | 90.0° | 120.1° |
| H64 | C59 | H65 | H66 | 90.0° | 120.0° |
| H67 | C61 | C63 | H68 | 90.0° | 177.7° |
| H67 | C61 | O62 | H80 | 90.0° | 60.1° |
| H68 | C63 | C64 | H69 | 90.0° | 60.0° |
| H68 | C63 | C64 | H70 | 90.0° | 60.0° |
| H68 | C63 | C64 | H71 | 90.0° | 180.0° |
| H69 | C64 | H70 | H71 | 90.0° | 120.0° |






