JPI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C33 | sing | 1.53Å | 1.52Å | |
| C34 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | O3 | sing | 1.43Å | 1.39Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C40 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C39 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C38 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C37 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C9 | C1 | sing | 1.53Å | 1.53Å | |
| C12 | C36 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | C10 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.48Å | |
| O2 | C2 | sing | 1.43Å | 1.38Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C7 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | O1 | sing | 1.43Å | 1.40Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H55 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H56 | sing | 1.09Å | 1.10Å | |
| C12 | H57 | sing | 1.09Å | 1.10Å | |
| C13 | H58 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H59 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H60 | sing | 1.09Å | 1.10Å | |
| C16 | H61 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H62 | sing | 1.09Å | 1.10Å | |
| C18 | H63 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H64 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H65 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H66 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H67 | sing | 1.09Å | 1.10Å | |
| C23 | H68 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H69 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H70 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H71 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H72 | sing | 1.09Å | 1.10Å | |
| C28 | H73 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H74 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C30 | H75 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H76 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| C37 | H45 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C38 | H48 | sing | 1.09Å | 1.10Å | |
| C39 | H49 | sing | 1.09Å | 1.10Å | |
| C39 | H50 | sing | 1.09Å | 1.10Å | |
| C39 | H51 | sing | 1.09Å | 1.10Å | |
| C4 | H77 | sing | 1.09Å | 1.10Å | |
| C40 | H52 | sing | 1.09Å | 1.10Å | |
| C40 | H54 | sing | 1.09Å | 1.10Å | |
| C40 | H53 | sing | 1.09Å | 1.10Å | |
| C5 | H78 | sing | 1.09Å | 1.10Å | |
| C6 | H79 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| O1 | H80 | sing | 0.97Å | 0.95Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å | |
| O3 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C33 | C34 | 108.7° | 109.4° |
| C35 | C33 | O3 | 107.5° | 109.4° |
| C35 | C33 | C32 | 111.3° | 109.5° |
| C33 | C35 | H37 | 109.5° | 109.5° |
| C33 | C35 | H38 | 109.5° | 109.5° |
| C33 | C35 | H36 | 109.5° | 109.5° |
| C34 | C33 | O3 | 108.3° | 109.5° |
| C34 | C33 | C32 | 114.5° | 109.5° |
| C33 | C34 | H34 | 109.5° | 109.4° |
| C33 | C34 | H35 | 109.5° | 109.5° |
| C33 | C34 | H33 | 109.5° | 109.5° |
| O3 | C33 | C32 | 106.3° | 109.5° |
| C33 | O3 | H39 | 109.5° | 114.0° |
| C33 | C32 | C31 | 114.1° | 109.4° |
| C33 | C32 | H32 | 108.3° | 109.4° |
| C33 | C32 | H31 | 108.3° | 109.5° |
| C32 | C31 | C30 | 113.5° | 109.4° |
| C32 | C31 | H30 | 108.5° | 109.5° |
| C32 | C31 | H76 | 108.5° | 109.5° |
| C31 | C32 | H32 | 108.3° | 109.5° |
| C31 | C32 | H31 | 108.3° | 109.5° |
| C31 | C30 | C29 | 113.4° | 109.5° |
| C31 | C30 | H75 | 108.5° | 109.5° |
| C31 | C30 | H29 | 108.5° | 109.5° |
| C30 | C31 | H30 | 108.4° | 109.5° |
| C30 | C31 | H76 | 108.4° | 109.4° |
| C30 | C29 | C40 | 111.7° | 109.5° |
| C30 | C29 | C28 | 109.8° | 109.5° |
| C30 | C29 | H74 | 107.0° | 109.5° |
| C29 | C30 | H75 | 108.5° | 109.5° |
| C29 | C30 | H29 | 108.5° | 109.4° |
| C40 | C29 | C28 | 114.1° | 109.5° |
| C40 | C29 | H74 | 106.9° | 109.4° |
| C29 | C40 | H52 | 109.5° | 109.5° |
| C29 | C40 | H54 | 109.5° | 109.4° |
| C29 | C40 | H53 | 109.5° | 109.5° |
| C29 | C28 | C27 | 116.9° | 109.5° |
| C29 | C28 | H73 | 107.6° | 109.5° |
| C29 | C28 | H28 | 107.6° | 109.5° |
| C28 | C29 | H74 | 106.9° | 109.5° |
| C28 | C27 | C26 | 112.0° | 109.4° |
| C28 | C27 | H27 | 108.8° | 109.5° |
| C28 | C27 | H72 | 108.8° | 109.5° |
| C27 | C28 | H73 | 107.6° | 109.5° |
| C27 | C28 | H28 | 107.6° | 109.4° |
| C27 | C26 | C25 | 111.4° | 109.4° |
| C27 | C26 | H26 | 109.0° | 109.5° |
| C27 | C26 | H71 | 108.9° | 109.5° |
| C26 | C27 | H27 | 108.8° | 109.5° |
| C26 | C27 | H72 | 108.8° | 109.5° |
| C39 | C25 | C26 | 113.1° | 109.5° |
| C39 | C25 | C24 | 115.7° | 109.5° |
| C39 | C25 | H70 | 103.2° | 109.5° |
| C25 | C39 | H49 | 109.5° | 109.5° |
| C25 | C39 | H50 | 109.5° | 109.5° |
| C25 | C39 | H51 | 109.5° | 109.5° |
| C26 | C25 | C24 | 116.1° | 109.5° |
| C26 | C25 | H70 | 103.2° | 109.5° |
| C25 | C26 | H26 | 109.0° | 109.5° |
| C25 | C26 | H71 | 109.0° | 109.5° |
| C25 | C24 | C23 | 116.2° | 109.5° |
| C25 | C24 | H69 | 107.8° | 109.5° |
| C25 | C24 | H25 | 107.8° | 109.5° |
| C24 | C25 | H70 | 103.1° | 109.5° |
| C24 | C23 | C22 | 113.0° | 109.4° |
| C24 | C23 | H68 | 108.6° | 109.4° |
| C24 | C23 | H24 | 108.6° | 109.5° |
| C23 | C24 | H69 | 107.7° | 109.5° |
| C23 | C24 | H25 | 107.8° | 109.5° |
| C23 | C22 | C21 | 114.2° | 109.4° |
| C23 | C22 | H23 | 108.3° | 109.5° |
| C23 | C22 | H67 | 108.3° | 109.5° |
| C22 | C23 | H68 | 108.6° | 109.5° |
| C22 | C23 | H24 | 108.6° | 109.5° |
| C22 | C21 | C38 | 115.9° | 109.5° |
| C22 | C21 | C20 | 114.6° | 109.5° |
| C22 | C21 | H66 | 102.5° | 109.5° |
| C21 | C22 | H23 | 108.3° | 109.5° |
| C21 | C22 | H67 | 108.3° | 109.4° |
| C38 | C21 | C20 | 115.9° | 109.5° |
| C38 | C21 | H66 | 102.5° | 109.4° |
| C21 | C38 | H47 | 109.5° | 109.4° |
| C21 | C38 | H46 | 109.5° | 109.5° |
| C21 | C38 | H48 | 109.5° | 109.5° |
| C21 | C20 | C19 | 116.2° | 109.5° |
| C21 | C20 | H65 | 107.7° | 109.5° |
| C21 | C20 | H22 | 107.8° | 109.4° |
| C20 | C21 | H66 | 102.5° | 109.4° |
| C20 | C19 | C18 | 112.1° | 109.5° |
| C20 | C19 | H21 | 108.8° | 109.5° |
| C20 | C19 | H64 | 108.8° | 109.4° |
| C19 | C20 | H65 | 107.8° | 109.5° |
| C19 | C20 | H22 | 107.7° | 109.5° |
| C19 | C18 | C17 | 113.1° | 109.4° |
| C19 | C18 | H63 | 108.5° | 109.5° |
| C19 | C18 | H20 | 108.5° | 109.5° |
| C18 | C19 | H21 | 108.8° | 109.5° |
| C18 | C19 | H64 | 108.8° | 109.5° |
| C18 | C17 | C16 | 114.2° | 109.5° |
| C18 | C17 | H19 | 108.3° | 109.5° |
| C18 | C17 | H62 | 108.3° | 109.5° |
| C17 | C18 | H63 | 108.6° | 109.4° |
| C17 | C18 | H20 | 108.6° | 109.5° |
| C17 | C16 | C37 | 111.3° | 109.4° |
| C17 | C16 | C15 | 113.3° | 109.5° |
| C17 | C16 | H61 | 106.0° | 109.5° |
| C16 | C17 | H19 | 108.2° | 109.4° |
| C16 | C17 | H62 | 108.3° | 109.5° |
| C37 | C16 | C15 | 113.6° | 109.5° |
| C37 | C16 | H61 | 106.0° | 109.5° |
| C16 | C37 | H44 | 109.5° | 109.4° |
| C16 | C37 | H45 | 109.5° | 109.5° |
| C16 | C37 | H43 | 109.5° | 109.5° |
| C16 | C15 | C14 | 114.1° | 109.5° |
| C16 | C15 | H18 | 108.3° | 109.5° |
| C16 | C15 | H60 | 108.3° | 109.4° |
| C15 | C16 | H61 | 105.9° | 109.5° |
| C15 | C14 | C13 | 115.2° | 109.5° |
| C15 | C14 | H59 | 108.0° | 109.5° |
| C15 | C14 | H17 | 108.0° | 109.4° |
| C14 | C15 | H18 | 108.3° | 109.5° |
| C14 | C15 | H60 | 108.3° | 109.4° |
| C14 | C13 | C12 | 114.5° | 109.4° |
| C14 | C13 | H58 | 108.2° | 109.6° |
| C14 | C13 | H16 | 108.2° | 109.4° |
| C13 | C14 | H59 | 108.0° | 109.5° |
| C13 | C14 | H17 | 108.0° | 109.4° |
| C13 | C12 | C36 | 111.2° | 109.5° |
| C13 | C12 | C11 | 112.8° | 109.4° |
| C13 | C12 | H57 | 105.9° | 109.5° |
| C12 | C13 | H58 | 108.2° | 109.5° |
| C12 | C13 | H16 | 108.2° | 109.5° |
| C9 | C1 | C6 | 108.3° | 109.5° |
| C9 | C1 | C2 | 107.3° | 109.5° |
| C9 | C1 | C8 | 109.7° | 109.5° |
| C1 | C9 | H12 | 109.5° | 109.5° |
| C1 | C9 | H11 | 109.5° | 109.5° |
| C1 | C9 | H10 | 109.5° | 109.5° |
| C36 | C12 | C11 | 114.4° | 109.5° |
| C36 | C12 | H57 | 105.9° | 109.5° |
| C12 | C36 | H40 | 109.5° | 109.5° |
| C12 | C36 | H41 | 109.5° | 109.5° |
| C12 | C36 | H42 | 109.5° | 109.5° |
| C12 | C11 | C10 | 114.9° | 109.5° |
| C12 | C11 | H15 | 108.1° | 109.5° |
| C12 | C11 | H56 | 108.1° | 109.5° |
| C11 | C12 | H57 | 105.9° | 109.5° |
| C11 | C10 | C6 | 116.6° | 109.5° |
| C11 | C10 | H14 | 107.7° | 109.5° |
| C11 | C10 | H55 | 107.6° | 109.5° |
| C10 | C11 | H15 | 108.1° | 109.5° |
| C10 | C11 | H56 | 108.1° | 109.5° |
| C6 | C1 | C2 | 108.3° | 109.5° |
| C6 | C1 | C8 | 112.1° | 109.4° |
| C1 | C6 | C10 | 116.5° | 109.5° |
| C1 | C6 | C5 | 118.2° | 109.5° |
| C1 | C6 | H79 | 104.1° | 109.5° |
| C2 | C1 | C8 | 111.0° | 109.5° |
| C1 | C2 | O2 | 112.5° | 109.5° |
| C1 | C2 | C3 | 110.9° | 109.5° |
| C1 | C2 | H1 | 107.2° | 109.5° |
| C1 | C8 | H7 | 109.5° | 109.5° |
| C1 | C8 | H9 | 109.5° | 109.5° |
| C1 | C8 | H8 | 109.5° | 109.5° |
| C10 | C6 | C5 | 107.5° | 109.5° |
| C6 | C10 | H14 | 107.7° | 109.5° |
| C6 | C10 | H55 | 107.7° | 109.4° |
| C10 | C6 | H79 | 104.2° | 109.4° |
| C6 | C5 | C7 | 115.6° | 109.5° |
| C6 | C5 | C4 | 115.2° | 109.5° |
| C6 | C5 | H78 | 101.5° | 109.5° |
| C5 | C6 | H79 | 104.7° | 109.4° |
| O2 | C2 | C3 | 109.1° | 109.5° |
| O2 | C2 | H1 | 109.5° | 109.5° |
| C2 | O2 | H13 | 109.5° | 114.0° |
| C2 | C3 | C4 | 112.4° | 109.5° |
| C3 | C2 | H1 | 107.4° | 109.4° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| C2 | C3 | H2 | 108.7° | 109.4° |
| C7 | C5 | C4 | 117.6° | 109.5° |
| C7 | C5 | H78 | 101.2° | 109.4° |
| C5 | C7 | H6 | 109.5° | 109.4° |
| C5 | C7 | H5 | 109.4° | 109.5° |
| C5 | C7 | H4 | 109.5° | 109.5° |
| C5 | C4 | C3 | 118.1° | 109.5° |
| C5 | C4 | O1 | 121.9° | 109.5° |
| C5 | C4 | H77 | 90.2° | 109.5° |
| C4 | C5 | H78 | 101.5° | 109.5° |
| C3 | C4 | O1 | 120.0° | 109.5° |
| C4 | C3 | H3 | 108.7° | 109.5° |
| C4 | C3 | H2 | 108.7° | 109.5° |
| C3 | C4 | H77 | 90.2° | 109.5° |
| O1 | C4 | H77 | 90.2° | 109.4° |
| C4 | O1 | H80 | 109.5° | 114.0° |
| H14 | C10 | H55 | 109.5° | 109.4° |
| H15 | C11 | H56 | 109.5° | 109.5° |
| H58 | C13 | H16 | 109.5° | 109.5° |
| H59 | C14 | H17 | 109.5° | 109.5° |
| H18 | C15 | H60 | 109.4° | 109.5° |
| H19 | C17 | H62 | 109.5° | 109.5° |
| H63 | C18 | H20 | 109.5° | 109.5° |
| H21 | C19 | H64 | 109.5° | 109.5° |
| H65 | C20 | H22 | 109.5° | 109.4° |
| H23 | C22 | H67 | 109.5° | 109.5° |
| H68 | C23 | H24 | 109.4° | 109.5° |
| H69 | C24 | H25 | 109.5° | 109.4° |
| H26 | C26 | H71 | 109.5° | 109.5° |
| H27 | C27 | H72 | 109.5° | 109.5° |
| H73 | C28 | H28 | 109.5° | 109.5° |
| H3 | C3 | H2 | 109.5° | 109.4° |
| H75 | C30 | H29 | 109.4° | 109.5° |
| H30 | C31 | H76 | 109.5° | 109.5° |
| H32 | C32 | H31 | 109.5° | 109.5° |
| H34 | C34 | H35 | 109.5° | 109.5° |
| H34 | C34 | H33 | 109.5° | 109.4° |
| H35 | C34 | H33 | 109.5° | 109.5° |
| H37 | C35 | H38 | 109.5° | 109.5° |
| H37 | C35 | H36 | 109.5° | 109.5° |
| H38 | C35 | H36 | 109.5° | 109.5° |
| H40 | C36 | H41 | 109.5° | 109.5° |
| H40 | C36 | H42 | 109.5° | 109.5° |
| H41 | C36 | H42 | 109.4° | 109.5° |
| H44 | C37 | H45 | 109.5° | 109.4° |
| H44 | C37 | H43 | 109.5° | 109.5° |
| H45 | C37 | H43 | 109.5° | 109.5° |
| H47 | C38 | H46 | 109.5° | 109.4° |
| H47 | C38 | H48 | 109.5° | 109.5° |
| H46 | C38 | H48 | 109.5° | 109.5° |
| H49 | C39 | H50 | 109.5° | 109.4° |
| H49 | C39 | H51 | 109.5° | 109.5° |
| H50 | C39 | H51 | 109.5° | 109.5° |
| H52 | C40 | H54 | 109.4° | 109.5° |
| H52 | C40 | H53 | 109.5° | 109.5° |
| H54 | C40 | H53 | 109.5° | 109.5° |
| H6 | C7 | H5 | 109.4° | 109.5° |
| H6 | C7 | H4 | 109.5° | 109.4° |
| H5 | C7 | H4 | 109.5° | 109.5° |
| H7 | C8 | H9 | 109.4° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C8 | H8 | 109.5° | 109.4° |
| H12 | C9 | H11 | 109.5° | 109.5° |
| H12 | C9 | H10 | 109.4° | 109.4° |
| H11 | C9 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C33 | C34 | O3 | 116.5° | 120.0° |
| C35 | C33 | C34 | C32 | 125.2° | 120.0° |
| C35 | C33 | O3 | C32 | 119.3° | 120.0° |
| C35 | C33 | C32 | C31 | 91.4° | 55.0° |
| C35 | C33 | C32 | H32 | 29.3° | 175.0° |
| C35 | C33 | C32 | H31 | 147.9° | 65.0° |
| C35 | C33 | C34 | H34 | 180.0° | 180.0° |
| C35 | C33 | C34 | H35 | 60.0° | 60.1° |
| C35 | C33 | C34 | H33 | 60.0° | 60.0° |
| C33 | C35 | H37 | H38 | 120.0° | 120.0° |
| C33 | C35 | H37 | H36 | 120.0° | 120.0° |
| C33 | C35 | H38 | H36 | 120.0° | 120.0° |
| C35 | C33 | O3 | H39 | 180.0° | 60.0° |
| C34 | C33 | O3 | C32 | 123.4° | 120.0° |
| C34 | C33 | C32 | C31 | 32.4° | 175.0° |
| C34 | C33 | C32 | H32 | 153.1° | 65.0° |
| C34 | C33 | C32 | H31 | 88.2° | 55.0° |
| C33 | C34 | H34 | H35 | 120.0° | 120.0° |
| C33 | C34 | H34 | H33 | 120.0° | 120.0° |
| C33 | C34 | H35 | H33 | 120.0° | 120.1° |
| C34 | C33 | C35 | H37 | 180.0° | 60.0° |
| C34 | C33 | C35 | H38 | 60.0° | 60.0° |
| C34 | C33 | C35 | H36 | 60.0° | 180.0° |
| C34 | C33 | O3 | H39 | 62.7° | 59.9° |
| O3 | C33 | C32 | C31 | 151.9° | 65.0° |
| O3 | C33 | C32 | H32 | 87.5° | 55.0° |
| O3 | C33 | C32 | H31 | 31.2° | 175.0° |
| O3 | C33 | C34 | H34 | 63.5° | 60.0° |
| O3 | C33 | C34 | H35 | 56.5° | 180.0° |
| O3 | C33 | C34 | H33 | 176.5° | 59.9° |
| O3 | C33 | C35 | H37 | 63.0° | 60.0° |
| O3 | C33 | C35 | H38 | 177.0° | 180.0° |
| O3 | C33 | C35 | H36 | 57.0° | 60.0° |
| C33 | C32 | C31 | H32 | 120.7° | 120.0° |
| C33 | C32 | C31 | H31 | 120.6° | 120.0° |
| C33 | C32 | C31 | C30 | 177.3° | 180.0° |
| C33 | C32 | C31 | H30 | 56.7° | 60.1° |
| C33 | C32 | C31 | H76 | 62.1° | 60.0° |
| C33 | C32 | H32 | H31 | 117.9° | 120.0° |
| C32 | C33 | C34 | H34 | 54.8° | 60.1° |
| C32 | C33 | C34 | H35 | 174.8° | 59.9° |
| C32 | C33 | C34 | H33 | 65.2° | 180.0° |
| C32 | C33 | C35 | H37 | 53.0° | 180.0° |
| C32 | C33 | C35 | H38 | 67.0° | 60.0° |
| C32 | C33 | C35 | H36 | 173.0° | 60.0° |
| C32 | C33 | O3 | H39 | 60.7° | 180.0° |
| C32 | C31 | C30 | H30 | 120.6° | 120.0° |
| C32 | C31 | C30 | H76 | 120.6° | 120.0° |
| C32 | C31 | C30 | C29 | 129.1° | 180.0° |
| C32 | C31 | C30 | H75 | 8.5° | 60.0° |
| C32 | C31 | C30 | H29 | 110.3° | 60.1° |
| C32 | C31 | H30 | H76 | 118.2° | 120.1° |
| C31 | C32 | H32 | H31 | 117.9° | 120.0° |
| C31 | C30 | C29 | H75 | 120.6° | 120.0° |
| C31 | C30 | C29 | H29 | 120.6° | 119.9° |
| C31 | C30 | C29 | C40 | 80.5° | 65.0° |
| C31 | C30 | C29 | C28 | 151.9° | 175.0° |
| C31 | C30 | C29 | H74 | 36.1° | 55.0° |
| C31 | C30 | H75 | H29 | 118.2° | 120.0° |
| C30 | C31 | H30 | H76 | 118.1° | 120.0° |
| C30 | C31 | C32 | H32 | 62.0° | 60.0° |
| C30 | C31 | C32 | H31 | 56.7° | 60.0° |
| C30 | C29 | C40 | C28 | 125.2° | 120.0° |
| C30 | C29 | C40 | H74 | 116.8° | 120.0° |
| C30 | C29 | C28 | H74 | 115.8° | 120.0° |
| C30 | C29 | C28 | C27 | 179.8° | 175.0° |
| C30 | C29 | C28 | H73 | 59.1° | 55.0° |
| C30 | C29 | C28 | H28 | 58.7° | 65.0° |
| C29 | C30 | H75 | H29 | 118.2° | 120.0° |
| C29 | C30 | C31 | H30 | 110.3° | 60.0° |
| C29 | C30 | C31 | H76 | 8.5° | 60.0° |
| C30 | C29 | C40 | H52 | 180.0° | 179.9° |
| C30 | C29 | C40 | H54 | 60.0° | 60.0° |
| C30 | C29 | C40 | H53 | 60.0° | 60.0° |
| C40 | C29 | C28 | H74 | 118.0° | 119.9° |
| C40 | C29 | C28 | C27 | 54.0° | 65.0° |
| C40 | C29 | C28 | H73 | 67.1° | 175.0° |
| C40 | C29 | C28 | H28 | 175.0° | 55.0° |
| C40 | C29 | C30 | H75 | 40.1° | 175.0° |
| C40 | C29 | C30 | H29 | 158.9° | 55.0° |
| C29 | C40 | H52 | H54 | 120.0° | 119.9° |
| C29 | C40 | H52 | H53 | 120.0° | 120.0° |
| C29 | C40 | H54 | H53 | 120.0° | 120.0° |
| C29 | C28 | C27 | H73 | 121.1° | 120.0° |
| C29 | C28 | C27 | H28 | 121.1° | 120.0° |
| C29 | C28 | C27 | C26 | 171.1° | 180.0° |
| C29 | C28 | C27 | H27 | 50.7° | 60.0° |
| C29 | C28 | C27 | H72 | 68.6° | 60.0° |
| C29 | C28 | H73 | H28 | 116.7° | 120.0° |
| C28 | C29 | C30 | H75 | 87.5° | 55.0° |
| C28 | C29 | C30 | H29 | 31.3° | 65.0° |
| C28 | C29 | C40 | H52 | 54.8° | 60.0° |
| C28 | C29 | C40 | H54 | 174.8° | 180.0° |
| C28 | C29 | C40 | H53 | 65.2° | 60.0° |
| C28 | C27 | C26 | H27 | 120.4° | 120.0° |
| C28 | C27 | C26 | H72 | 120.4° | 120.0° |
| C28 | C27 | C26 | C25 | 130.7° | 180.0° |
| C28 | C27 | C26 | H26 | 109.0° | 60.0° |
| C28 | C27 | C26 | H71 | 10.4° | 60.0° |
| C28 | C27 | H27 | H72 | 118.8° | 120.0° |
| C27 | C28 | H73 | H28 | 116.6° | 120.0° |
| C27 | C28 | C29 | H74 | 64.0° | 55.0° |
| C27 | C26 | C25 | C39 | 60.8° | 65.0° |
| C27 | C26 | C25 | H26 | 120.3° | 120.0° |
| C27 | C26 | C25 | H71 | 120.3° | 120.0° |
| C27 | C26 | C25 | C24 | 162.0° | 175.0° |
| C27 | C26 | C25 | H70 | 50.0° | 55.0° |
| C27 | C26 | H26 | H71 | 119.1° | 120.0° |
| C26 | C27 | H27 | H72 | 118.8° | 120.0° |
| C26 | C27 | C28 | H73 | 67.9° | 60.0° |
| C26 | C27 | C28 | H28 | 50.0° | 60.0° |
| C39 | C25 | C26 | C24 | 137.2° | 120.0° |
| C39 | C25 | C26 | H70 | 110.8° | 120.0° |
| C39 | C25 | C24 | H70 | 111.8° | 120.1° |
| C39 | C25 | C24 | C23 | 56.5° | 65.0° |
| C39 | C25 | C24 | H69 | 177.5° | 175.0° |
| C39 | C25 | C24 | H25 | 64.5° | 55.0° |
| C39 | C25 | C26 | H26 | 59.5° | 175.0° |
| C39 | C25 | C26 | H71 | 179.0° | 55.0° |
| C25 | C39 | H49 | H50 | 120.0° | 120.0° |
| C25 | C39 | H49 | H51 | 120.0° | 120.0° |
| C25 | C39 | H50 | H51 | 120.0° | 120.0° |
| C26 | C25 | C24 | H70 | 112.0° | 120.0° |
| C26 | C25 | C24 | C23 | 79.6° | 175.0° |
| C26 | C25 | C24 | H69 | 41.3° | 55.0° |
| C26 | C25 | C24 | H25 | 159.4° | 65.0° |
| C25 | C26 | H26 | H71 | 119.1° | 120.0° |
| C25 | C26 | C27 | H27 | 10.3° | 60.0° |
| C25 | C26 | C27 | H72 | 109.0° | 60.0° |
| C26 | C25 | C39 | H49 | 180.0° | 180.0° |
| C26 | C25 | C39 | H50 | 60.0° | 60.0° |
| C26 | C25 | C39 | H51 | 60.0° | 60.0° |
| C25 | C24 | C23 | H69 | 121.0° | 120.0° |
| C25 | C24 | C23 | H25 | 121.0° | 120.1° |
| C25 | C24 | C23 | C22 | 117.3° | 180.0° |
| C25 | C24 | C23 | H68 | 3.2° | 60.1° |
| C25 | C24 | C23 | H24 | 122.2° | 60.0° |
| C25 | C24 | H69 | H25 | 117.0° | 120.0° |
| C24 | C25 | C26 | H26 | 77.7° | 55.1° |
| C24 | C25 | C26 | H71 | 41.7° | 65.0° |
| C24 | C25 | C39 | H49 | 42.6° | 60.0° |
| C24 | C25 | C39 | H50 | 162.6° | 180.0° |
| C24 | C25 | C39 | H51 | 77.4° | 60.0° |
| C24 | C23 | C22 | H68 | 120.5° | 119.9° |
| C24 | C23 | C22 | H24 | 120.5° | 120.0° |
| C24 | C23 | C22 | C21 | 125.8° | 179.9° |
| C24 | C23 | C22 | H23 | 5.1° | 60.0° |
| C24 | C23 | C22 | H67 | 113.5° | 60.0° |
| C24 | C23 | H68 | H24 | 118.4° | 120.0° |
| C23 | C24 | H69 | H25 | 117.0° | 120.0° |
| C23 | C24 | C25 | H70 | 168.4° | 55.0° |
| C23 | C22 | C21 | H23 | 120.7° | 120.0° |
| C23 | C22 | C21 | H67 | 120.7° | 120.0° |
| C23 | C22 | C21 | C38 | 50.6° | 64.9° |
| C23 | C22 | C21 | C20 | 170.2° | 175.0° |
| C23 | C22 | C21 | H66 | 60.0° | 55.0° |
| C23 | C22 | H23 | H67 | 117.8° | 120.0° |
| C22 | C23 | H68 | H24 | 118.4° | 120.0° |
| C22 | C23 | C24 | H69 | 121.7° | 60.0° |
| C22 | C23 | C24 | H25 | 3.7° | 60.0° |
| C22 | C21 | C38 | C20 | 138.7° | 120.1° |
| C22 | C21 | C38 | H66 | 110.7° | 120.0° |
| C22 | C21 | C20 | H66 | 110.1° | 120.0° |
| C22 | C21 | C20 | C19 | 127.6° | 175.0° |
| C22 | C21 | C20 | H65 | 6.6° | 54.9° |
| C22 | C21 | C20 | H22 | 111.4° | 65.0° |
| C21 | C22 | H23 | H67 | 117.9° | 120.0° |
| C21 | C22 | C23 | H68 | 113.7° | 60.0° |
| C21 | C22 | C23 | H24 | 5.2° | 60.1° |
| C22 | C21 | C38 | H47 | 180.0° | 60.1° |
| C22 | C21 | C38 | H46 | 60.0° | 180.0° |
| C22 | C21 | C38 | H48 | 60.0° | 60.0° |
| C38 | C21 | C20 | H66 | 110.6° | 120.0° |
| C38 | C21 | C20 | C19 | 11.6° | 64.9° |
| C38 | C21 | C20 | H65 | 132.6° | 175.0° |
| C38 | C21 | C20 | H22 | 109.3° | 55.0° |
| C38 | C21 | C22 | H23 | 70.0° | 175.0° |
| C38 | C21 | C22 | H67 | 171.3° | 55.0° |
| C21 | C38 | H47 | H46 | 120.0° | 120.0° |
| C21 | C38 | H47 | H48 | 120.0° | 120.1° |
| C21 | C38 | H46 | H48 | 120.0° | 120.1° |
| C21 | C20 | C19 | H65 | 121.0° | 120.1° |
| C21 | C20 | C19 | H22 | 121.0° | 119.9° |
| C21 | C20 | C19 | C18 | 108.2° | 180.0° |
| C21 | C20 | C19 | H21 | 12.1° | 60.0° |
| C21 | C20 | C19 | H64 | 131.4° | 60.0° |
| C21 | C20 | H65 | H22 | 116.9° | 119.9° |
| C20 | C21 | C22 | H23 | 69.2° | 54.9° |
| C20 | C21 | C22 | H67 | 49.5° | 65.1° |
| C20 | C21 | C38 | H47 | 41.3° | 60.0° |
| C20 | C21 | C38 | H46 | 161.3° | 59.9° |
| C20 | C21 | C38 | H48 | 78.7° | 180.0° |
| C20 | C19 | C18 | H21 | 120.4° | 120.0° |
| C20 | C19 | C18 | H64 | 120.4° | 120.0° |
| C20 | C19 | C18 | C17 | 139.9° | 180.0° |
| C20 | C19 | C18 | H63 | 19.3° | 60.0° |
| C20 | C19 | C18 | H20 | 99.6° | 60.0° |
| C20 | C19 | H21 | H64 | 118.8° | 120.0° |
| C19 | C20 | H65 | H22 | 116.9° | 120.0° |
| C19 | C20 | C21 | H66 | 122.2° | 55.0° |
| C19 | C18 | C17 | H63 | 120.6° | 120.0° |
| C19 | C18 | C17 | H20 | 120.5° | 120.0° |
| C19 | C18 | C17 | C16 | 147.7° | 180.0° |
| C19 | C18 | C17 | H19 | 27.1° | 60.0° |
| C19 | C18 | C17 | H62 | 91.5° | 60.0° |
| C19 | C18 | H63 | H20 | 118.3° | 120.1° |
| C18 | C19 | H21 | H64 | 118.8° | 120.1° |
| C18 | C19 | C20 | H65 | 130.8° | 60.0° |
| C18 | C19 | C20 | H22 | 12.7° | 60.0° |
| C18 | C17 | C16 | H19 | 120.7° | 120.0° |
| C18 | C17 | C16 | H62 | 120.7° | 120.1° |
| C18 | C17 | C16 | C37 | 79.4° | 65.0° |
| C18 | C17 | C16 | C15 | 151.2° | 175.0° |
| C18 | C17 | C16 | H61 | 35.5° | 55.0° |
| C18 | C17 | H19 | H62 | 117.9° | 120.1° |
| C17 | C18 | H63 | H20 | 118.3° | 120.0° |
| C17 | C18 | C19 | H21 | 99.7° | 60.0° |
| C17 | C18 | C19 | H64 | 19.5° | 60.0° |
| C17 | C16 | C37 | C15 | 129.3° | 120.0° |
| C17 | C16 | C37 | H61 | 114.8° | 120.0° |
| C17 | C16 | C15 | H61 | 115.8° | 120.0° |
| C17 | C16 | C15 | C14 | 174.1° | 175.1° |
| C17 | C16 | C15 | H18 | 53.3° | 55.0° |
| C17 | C16 | C15 | H60 | 65.3° | 65.0° |
| C16 | C17 | H19 | H62 | 117.8° | 120.0° |
| C16 | C17 | C18 | H63 | 91.7° | 60.0° |
| C16 | C17 | C18 | H20 | 27.2° | 60.0° |
| C17 | C16 | C37 | H44 | 180.0° | 180.0° |
| C17 | C16 | C37 | H45 | 60.0° | 60.0° |
| C17 | C16 | C37 | H43 | 60.0° | 60.0° |
| C37 | C16 | C15 | H61 | 115.9° | 120.0° |
| C37 | C16 | C15 | C14 | 45.8° | 65.0° |
| C37 | C16 | C15 | H18 | 75.0° | 175.0° |
| C37 | C16 | C15 | H60 | 166.4° | 55.0° |
| C37 | C16 | C17 | H19 | 41.3° | 175.0° |
| C37 | C16 | C17 | H62 | 159.9° | 55.1° |
| C16 | C37 | H44 | H45 | 120.0° | 120.0° |
| C16 | C37 | H44 | H43 | 120.0° | 120.0° |
| C16 | C37 | H45 | H43 | 120.0° | 120.0° |
| C16 | C15 | C14 | H18 | 120.7° | 120.0° |
| C16 | C15 | C14 | H60 | 120.7° | 119.9° |
| C16 | C15 | C14 | C13 | 165.2° | 180.0° |
| C16 | C15 | C14 | H59 | 74.0° | 60.0° |
| C16 | C15 | C14 | H17 | 44.4° | 60.1° |
| C16 | C15 | H18 | H60 | 117.9° | 120.0° |
| C15 | C16 | C17 | H19 | 88.1° | 55.0° |
| C15 | C16 | C17 | H62 | 30.5° | 65.0° |
| C15 | C16 | C37 | H44 | 50.7° | 60.0° |
| C15 | C16 | C37 | H45 | 170.7° | 179.9° |
| C15 | C16 | C37 | H43 | 69.3° | 60.0° |
| C15 | C14 | C13 | H59 | 120.8° | 120.1° |
| C15 | C14 | C13 | H17 | 120.8° | 119.9° |
| C15 | C14 | C13 | C12 | 117.7° | 180.0° |
| C15 | C14 | C13 | H58 | 121.6° | 60.0° |
| C15 | C14 | C13 | H16 | 3.1° | 60.1° |
| C15 | C14 | H59 | H17 | 117.4° | 120.0° |
| C14 | C15 | H18 | H60 | 117.9° | 120.0° |
| C14 | C15 | C16 | H61 | 70.2° | 55.0° |
| C14 | C13 | C12 | H58 | 120.7° | 120.1° |
| C14 | C13 | C12 | H16 | 120.7° | 119.9° |
| C14 | C13 | C12 | C36 | 75.8° | 65.1° |
| C14 | C13 | C12 | C11 | 154.2° | 175.0° |
| C14 | C13 | C12 | H57 | 38.9° | 55.0° |
| C14 | C13 | H58 | H16 | 117.7° | 120.0° |
| C13 | C14 | H59 | H17 | 117.4° | 120.0° |
| C13 | C14 | C15 | H18 | 44.5° | 59.9° |
| C13 | C14 | C15 | H60 | 74.1° | 60.1° |
| C13 | C12 | C36 | C11 | 129.2° | 119.9° |
| C13 | C12 | C36 | H57 | 114.7° | 120.0° |
| C13 | C12 | C11 | H57 | 115.4° | 120.0° |
| C13 | C12 | C11 | C10 | 166.4° | 175.0° |
| C13 | C12 | C11 | H15 | 72.8° | 65.0° |
| C13 | C12 | C11 | H56 | 45.6° | 55.1° |
| C12 | C13 | H58 | H16 | 117.7° | 120.0° |
| C12 | C13 | C14 | H59 | 3.2° | 60.0° |
| C12 | C13 | C14 | H17 | 121.5° | 60.0° |
| C13 | C12 | C36 | H40 | 180.0° | 60.0° |
| C13 | C12 | C36 | H41 | 60.0° | 60.0° |
| C13 | C12 | C36 | H42 | 60.0° | 180.0° |
| C9 | C1 | C6 | C2 | 116.0° | 120.0° |
| C9 | C1 | C6 | C8 | 121.2° | 120.0° |
| C9 | C1 | C2 | C8 | 119.9° | 120.0° |
| C9 | C1 | C6 | C10 | 88.4° | 59.9° |
| C9 | C1 | C6 | C5 | 141.2° | 180.0° |
| C9 | C1 | C2 | O2 | 60.0° | 60.0° |
| C9 | C1 | C2 | C3 | 177.5° | 180.0° |
| C9 | C1 | C2 | H1 | 60.5° | 60.0° |
| C9 | C1 | C6 | H79 | 25.6° | 60.0° |
| C9 | C1 | C8 | H7 | 180.0° | 180.0° |
| C9 | C1 | C8 | H9 | 60.0° | 60.0° |
| C9 | C1 | C8 | H8 | 60.0° | 59.9° |
| C1 | C9 | H12 | H11 | 120.0° | 120.0° |
| C1 | C9 | H12 | H10 | 120.0° | 120.1° |
| C1 | C9 | H11 | H10 | 120.0° | 120.0° |
| C36 | C12 | C11 | H57 | 116.2° | 120.0° |
| C36 | C12 | C11 | C10 | 38.0° | 65.0° |
| C36 | C12 | C11 | H15 | 158.8° | 55.0° |
| C36 | C12 | C11 | H56 | 82.8° | 175.0° |
| C36 | C12 | C13 | H58 | 163.5° | 55.0° |
| C36 | C12 | C13 | H16 | 45.0° | 175.0° |
| C12 | C36 | H40 | H41 | 120.0° | 120.0° |
| C12 | C36 | H40 | H42 | 120.0° | 120.0° |
| C12 | C36 | H41 | H42 | 120.0° | 120.0° |
| C12 | C11 | C10 | H15 | 120.8° | 120.0° |
| C12 | C11 | C10 | H56 | 120.8° | 120.0° |
| C12 | C11 | C10 | C6 | 137.5° | 176.6° |
| C12 | C11 | C10 | H14 | 16.5° | 56.5° |
| C12 | C11 | C10 | H55 | 101.4° | 63.4° |
| C12 | C11 | H15 | H56 | 117.6° | 120.0° |
| C11 | C12 | C13 | H58 | 33.5° | 64.9° |
| C11 | C12 | C13 | H16 | 85.0° | 55.0° |
| C11 | C12 | C36 | H40 | 50.9° | 60.0° |
| C11 | C12 | C36 | H41 | 69.2° | 180.0° |
| C11 | C12 | C36 | H42 | 170.9° | 60.0° |
| C11 | C10 | C6 | C1 | 104.2° | 159.4° |
| C11 | C10 | C6 | H14 | 121.0° | 120.1° |
| C11 | C10 | C6 | H55 | 121.0° | 120.0° |
| C11 | C10 | C6 | C5 | 120.5° | 80.5° |
| C11 | C10 | H14 | H55 | 116.7° | 120.0° |
| C10 | C11 | H15 | H56 | 117.5° | 120.0° |
| C10 | C11 | C12 | H57 | 78.2° | 55.0° |
| C11 | C10 | C6 | H79 | 9.8° | 39.4° |
| C6 | C1 | C2 | C8 | 123.4° | 120.0° |
| C1 | C6 | C10 | C5 | 135.3° | 120.0° |
| C1 | C6 | C10 | H79 | 114.0° | 120.0° |
| C1 | C6 | C5 | H79 | 115.2° | 120.0° |
| C6 | C1 | C2 | O2 | 176.7° | 180.0° |
| C6 | C1 | C2 | C3 | 60.8° | 60.0° |
| C1 | C6 | C5 | C7 | 118.0° | NaN° |
| C1 | C6 | C5 | C4 | 24.7° | 60.0° |
| C1 | C6 | C10 | H14 | 16.9° | 39.4° |
| C1 | C6 | C10 | H55 | 134.8° | 80.6° |
| C6 | C1 | C2 | H1 | 56.2° | 60.0° |
| C1 | C6 | C5 | H78 | 133.4° | 60.0° |
| C6 | C1 | C8 | H7 | 59.7° | 60.0° |
| C6 | C1 | C8 | H9 | 179.6° | 180.0° |
| C6 | C1 | C8 | H8 | 60.4° | 60.0° |
| C6 | C1 | C9 | H12 | 180.0° | 60.0° |
| C6 | C1 | C9 | H11 | 60.0° | 180.0° |
| C6 | C1 | C9 | H10 | 60.0° | 60.0° |
| C2 | C1 | C6 | C10 | 155.6° | 180.0° |
| C2 | C1 | C6 | C5 | 25.2° | 60.0° |
| C1 | C2 | O2 | C3 | 123.5° | 120.0° |
| C1 | C2 | O2 | H1 | 119.2° | 120.0° |
| C1 | C2 | C3 | H1 | 116.9° | 120.0° |
| C1 | C2 | C3 | C4 | 45.9° | 60.0° |
| C1 | C2 | C3 | H3 | 166.3° | 179.9° |
| C1 | C2 | C3 | H2 | 74.5° | 60.0° |
| C2 | C1 | C6 | H79 | 90.4° | 60.0° |
| C2 | C1 | C8 | H7 | 61.6° | 60.0° |
| C2 | C1 | C8 | H9 | 58.4° | 60.0° |
| C2 | C1 | C8 | H8 | 178.4° | 180.0° |
| C2 | C1 | C9 | H12 | 63.4° | 180.0° |
| C2 | C1 | C9 | H11 | 56.7° | 60.0° |
| C2 | C1 | C9 | H10 | 176.7° | 60.0° |
| C1 | C2 | O2 | H13 | 180.0° | 180.0° |
| C8 | C1 | C6 | C10 | 32.8° | 60.0° |
| C8 | C1 | C6 | C5 | 97.6° | 60.0° |
| C8 | C1 | C2 | O2 | 59.9° | 60.0° |
| C8 | C1 | C2 | C3 | 62.6° | 60.0° |
| C8 | C1 | C2 | H1 | 179.6° | 180.0° |
| C8 | C1 | C6 | H79 | 146.8° | 180.0° |
| C1 | C8 | H7 | H9 | 120.0° | 120.1° |
| C1 | C8 | H7 | H8 | 120.0° | 120.0° |
| C1 | C8 | H9 | H8 | 120.0° | 120.0° |
| C8 | C1 | C9 | H12 | 57.3° | 60.0° |
| C8 | C1 | C9 | H11 | 177.3° | 60.1° |
| C8 | C1 | C9 | H10 | 62.7° | 180.0° |
| C10 | C6 | C5 | H79 | 110.3° | 120.0° |
| C10 | C6 | C5 | C7 | 107.6° | 60.0° |
| C10 | C6 | C5 | C4 | 109.8° | 180.0° |
| C6 | C10 | H14 | H55 | 116.8° | 119.9° |
| C6 | C10 | C11 | H15 | 101.7° | 56.6° |
| C6 | C10 | C11 | H56 | 16.7° | 63.5° |
| C10 | C6 | C5 | H78 | 1.0° | 60.0° |
| C6 | C5 | C7 | C4 | 141.7° | 120.0° |
| C6 | C5 | C7 | H78 | 108.7° | 120.0° |
| C6 | C5 | C4 | H78 | 108.7° | 120.0° |
| C6 | C5 | C4 | C3 | 42.0° | 60.0° |
| C6 | C5 | C4 | O1 | 138.6° | 60.0° |
| C5 | C6 | C10 | H14 | 118.4° | 159.4° |
| C5 | C6 | C10 | H55 | 0.5° | 39.5° |
| C6 | C5 | C4 | H77 | 48.3° | 180.0° |
| C6 | C5 | C7 | H6 | 180.0° | 162.9° |
| C6 | C5 | C7 | H5 | 60.0° | 77.0° |
| C6 | C5 | C7 | H4 | 60.0° | 43.0° |
| O2 | C2 | C3 | H1 | 118.6° | 120.0° |
| O2 | C2 | C3 | C4 | 170.4° | 180.0° |
| O2 | C2 | C3 | H3 | 69.2° | 59.9° |
| O2 | C2 | C3 | H2 | 50.0° | 60.0° |
| C2 | C3 | C4 | C5 | 5.6° | 60.0° |
| C2 | C3 | C4 | H3 | 120.5° | 120.0° |
| C2 | C3 | C4 | H2 | 120.4° | 120.0° |
| C2 | C3 | C4 | O1 | 174.9° | 60.0° |
| C2 | C3 | H3 | H2 | 118.6° | 119.9° |
| C2 | C3 | C4 | H77 | 84.7° | 180.0° |
| C3 | C2 | O2 | H13 | 56.5° | 59.9° |
| C7 | C5 | C4 | H78 | 109.4° | 120.0° |
| C7 | C5 | C4 | C3 | 99.9° | 180.0° |
| C7 | C5 | C4 | O1 | 79.5° | 60.0° |
| C7 | C5 | C4 | H77 | 169.8° | 60.0° |
| C7 | C5 | C6 | H79 | 2.8° | 60.0° |
| C5 | C7 | H6 | H5 | 120.0° | 120.0° |
| C5 | C7 | H6 | H4 | 120.0° | 120.0° |
| C5 | C7 | H5 | H4 | 120.0° | 120.0° |
| C5 | C4 | C3 | O1 | 179.4° | 120.0° |
| C5 | C4 | C3 | H77 | 90.3° | 120.0° |
| C5 | C4 | O1 | H77 | 90.3° | 120.0° |
| C5 | C4 | C3 | H3 | 114.8° | 180.0° |
| C5 | C4 | C3 | H2 | 126.0° | 60.0° |
| C4 | C5 | C6 | H79 | 139.9° | 60.0° |
| C4 | C5 | C7 | H6 | 38.3° | 42.9° |
| C4 | C5 | C7 | H5 | 158.3° | 163.0° |
| C4 | C5 | C7 | H4 | 81.7° | 77.0° |
| C5 | C4 | O1 | H80 | 180.0° | 179.9° |
| C3 | C4 | O1 | H77 | 90.3° | 120.0° |
| C4 | C3 | C2 | H1 | 71.0° | 60.0° |
| C4 | C3 | H3 | H2 | 118.7° | 120.0° |
| C3 | C4 | C5 | H78 | 150.7° | 60.0° |
| C3 | C4 | O1 | H80 | 0.6° | 60.0° |
| O1 | C4 | C3 | H3 | 64.6° | 60.0° |
| O1 | C4 | C3 | H2 | 54.5° | 180.0° |
| O1 | C4 | C5 | H78 | 29.9° | 180.0° |
| H14 | C10 | C11 | H15 | 137.3° | 63.5° |
| H14 | C10 | C11 | H56 | 104.3° | 176.5° |
| H14 | C10 | C6 | H79 | 130.8° | 80.6° |
| H55 | C10 | C11 | H15 | 19.3° | 176.6° |
| H55 | C10 | C11 | H56 | 137.8° | 56.5° |
| H55 | C10 | C6 | H79 | 111.2° | 159.4° |
| H15 | C11 | C12 | H57 | 42.5° | 175.0° |
| H56 | C11 | C12 | H57 | 161.0° | 64.9° |
| H57 | C12 | C13 | H58 | 81.8° | 175.1° |
| H57 | C12 | C13 | H16 | 159.6° | 64.9° |
| H57 | C12 | C36 | H40 | 65.3° | 180.0° |
| H57 | C12 | C36 | H41 | 174.6° | 60.0° |
| H57 | C12 | C36 | H42 | 54.7° | 60.0° |
| H58 | C13 | C14 | H59 | 117.6° | 180.0° |
| H58 | C13 | C14 | H17 | 0.8° | 60.0° |
| H16 | C13 | C14 | H59 | 123.9° | 60.0° |
| H16 | C13 | C14 | H17 | 117.7° | 180.0° |
| H59 | C14 | C15 | H18 | 165.3° | 180.0° |
| H59 | C14 | C15 | H60 | 46.7° | 60.0° |
| H17 | C14 | C15 | H18 | 76.3° | 60.0° |
| H17 | C14 | C15 | H60 | 165.1° | 180.0° |
| H18 | C15 | C16 | H61 | 169.1° | 65.0° |
| H60 | C15 | C16 | H61 | 50.5° | 175.0° |
| H61 | C16 | C17 | H19 | 156.2° | 65.0° |
| H61 | C16 | C17 | H62 | 85.2° | 175.0° |
| H61 | C16 | C37 | H44 | 65.2° | 60.0° |
| H61 | C16 | C37 | H45 | 54.8° | 59.9° |
| H61 | C16 | C37 | H43 | 174.8° | 180.0° |
| H19 | C17 | C18 | H63 | 147.6° | 180.0° |
| H19 | C17 | C18 | H20 | 93.5° | 60.0° |
| H62 | C17 | C18 | H63 | 29.0° | 60.0° |
| H62 | C17 | C18 | H20 | 147.9° | 180.0° |
| H63 | C18 | C19 | H21 | 139.7° | NaN° |
| H63 | C18 | C19 | H64 | 101.1° | 59.9° |
| H20 | C18 | C19 | H21 | 20.8° | 59.9° |
| H20 | C18 | C19 | H64 | 140.0° | 180.0° |
| H21 | C19 | C20 | H65 | 108.8° | 180.0° |
| H21 | C19 | C20 | H22 | 133.1° | 60.0° |
| H64 | C19 | C20 | H65 | 10.4° | 60.0° |
| H64 | C19 | C20 | H22 | 107.7° | 180.0° |
| H1 | C2 | C3 | H3 | 49.5° | 60.1° |
| H1 | C2 | C3 | H2 | 168.6° | 180.0° |
| H1 | C2 | O2 | H13 | 60.8° | 60.0° |
| H65 | C20 | C21 | H66 | 116.8° | 65.1° |
| H22 | C20 | C21 | H66 | 1.3° | 175.0° |
| H66 | C21 | C22 | H23 | 179.3° | 65.0° |
| H66 | C21 | C22 | H67 | 60.7° | 175.0° |
| H66 | C21 | C38 | H47 | 69.3° | 179.9° |
| H66 | C21 | C38 | H46 | 50.7° | 60.0° |
| H66 | C21 | C38 | H48 | 170.6° | 60.0° |
| H23 | C22 | C23 | H68 | 125.6° | 180.0° |
| H23 | C22 | C23 | H24 | 115.4° | 60.0° |
| H67 | C22 | C23 | H68 | 7.0° | 59.9° |
| H67 | C22 | C23 | H24 | 125.9° | 180.0° |
| H68 | C23 | C24 | H69 | 117.7° | 179.9° |
| H68 | C23 | C24 | H25 | 124.2° | 60.0° |
| H24 | C23 | C24 | H69 | 1.2° | 60.0° |
| H24 | C23 | C24 | H25 | 116.9° | 179.9° |
| H69 | C24 | C25 | H70 | 70.7° | 65.0° |
| H25 | C24 | C25 | H70 | 47.4° | 175.1° |
| H70 | C25 | C26 | H26 | 170.3° | 64.9° |
| H70 | C25 | C26 | H71 | 70.3° | 175.0° |
| H70 | C25 | C39 | H49 | 69.2° | 60.0° |
| H70 | C25 | C39 | H50 | 50.8° | 60.0° |
| H70 | C25 | C39 | H51 | 170.8° | 180.0° |
| H26 | C26 | C27 | H27 | 130.6° | 180.0° |
| H26 | C26 | C27 | H72 | 11.3° | 59.9° |
| H71 | C26 | C27 | H27 | 110.0° | 59.9° |
| H71 | C26 | C27 | H72 | 130.7° | 180.0° |
| H27 | C27 | C28 | H73 | 171.8° | 179.9° |
| H27 | C27 | C28 | H28 | 70.4° | 60.0° |
| H72 | C27 | C28 | H73 | 52.5° | 60.0° |
| H72 | C27 | C28 | H28 | 170.4° | 180.0° |
| H73 | C28 | C29 | H74 | 174.9° | 65.1° |
| H28 | C28 | C29 | H74 | 57.0° | 174.9° |
| H74 | C29 | C30 | H75 | 156.7° | 65.0° |
| H74 | C29 | C30 | H29 | 84.4° | 174.9° |
| H74 | C29 | C40 | H52 | 63.2° | 59.9° |
| H74 | C29 | C40 | H54 | 56.8° | 60.0° |
| H74 | C29 | C40 | H53 | 176.8° | 180.0° |
| H3 | C3 | C4 | H77 | 154.9° | 60.0° |
| H2 | C3 | C4 | H77 | 35.8° | 60.0° |
| H75 | C30 | C31 | H30 | 129.1° | 180.0° |
| H75 | C30 | C31 | H76 | 112.1° | 60.0° |
| H29 | C30 | C31 | H30 | 10.3° | 59.9° |
| H29 | C30 | C31 | H76 | 129.1° | 179.9° |
| H30 | C31 | C32 | H32 | 177.4° | 180.0° |
| H30 | C31 | C32 | H31 | 63.9° | 60.0° |
| H76 | C31 | C32 | H32 | 58.6° | 60.0° |
| H76 | C31 | C32 | H31 | 177.3° | 180.0° |
| H34 | C34 | H35 | H33 | 120.0° | 120.0° |
| H37 | C35 | H38 | H36 | 120.0° | 120.0° |
| H40 | C36 | H41 | H42 | 120.0° | 120.0° |
| H44 | C37 | H45 | H43 | 120.0° | 120.0° |
| H47 | C38 | H46 | H48 | 120.0° | 120.0° |
| H49 | C39 | H50 | H51 | 120.0° | 120.0° |
| H77 | C4 | C5 | H78 | 60.5° | 60.0° |
| H77 | C4 | O1 | H80 | 89.7° | 60.0° |
| H52 | C40 | H54 | H53 | 120.0° | 120.1° |
| H78 | C5 | C6 | H79 | 111.4° | 180.0° |
| H78 | C5 | C7 | H6 | 71.2° | 77.1° |
| H78 | C5 | C7 | H5 | 48.7° | 43.0° |
| H78 | C5 | C7 | H4 | 168.7° | 163.0° |
| H6 | C7 | H5 | H4 | 120.0° | 120.0° |
| H7 | C8 | H9 | H8 | 120.0° | 120.0° |
| H12 | C9 | H11 | H10 | 120.0° | 119.9° |
