V7B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C23 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C39 | C41 | sing | 1.53Å | 1.52Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.51Å | 1.53Å | |
| O10 | C28 | doub | 1.21Å | 1.18Å | |
| C28 | O8 | sing | 1.34Å | 1.39Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| O8 | C9 | sing | 1.45Å | 1.39Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| O7 | C10 | sing | 1.34Å | 1.39Å | |
| O7 | C8 | sing | 1.45Å | 1.40Å | |
| C10 | O9 | doub | 1.21Å | 1.18Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | O1 | sing | 1.43Å | 1.40Å | |
| O1 | C1 | sing | 1.43Å | 1.40Å | |
| C1 | O6 | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| O2 | C2 | sing | 1.43Å | 1.40Å | |
| O6 | C5 | sing | 1.43Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.40Å | |
| C6 | O5 | sing | 1.43Å | 1.40Å | |
| C4 | O4 | sing | 1.43Å | 1.40Å | |
| O4 | C43 | sing | 1.43Å | 1.40Å | |
| C43 | O52 | sing | 1.43Å | 1.40Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| O49 | C44 | sing | 1.43Å | 1.40Å | |
| O52 | C47 | sing | 1.43Å | 1.40Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C47 | C46 | sing | 1.53Å | 1.53Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| O53 | C48 | sing | 1.43Å | 1.40Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C45 | O50 | sing | 1.43Å | 1.40Å | |
| C46 | O51 | sing | 1.43Å | 1.40Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| C41 | H36 | sing | 1.09Å | 1.10Å | |
| C41 | H37 | sing | 1.09Å | 1.10Å | |
| C41 | H38 | sing | 1.09Å | 1.10Å | |
| C43 | H39 | sing | 1.09Å | 1.10Å | |
| C44 | H40 | sing | 1.09Å | 1.10Å | |
| C1 | H41 | sing | 1.09Å | 1.10Å | |
| C12 | H42 | sing | 1.09Å | 1.10Å | |
| C12 | H43 | sing | 1.09Å | 1.10Å | |
| C13 | H44 | sing | 1.09Å | 1.10Å | |
| C13 | H45 | sing | 1.09Å | 1.10Å | |
| C14 | H46 | sing | 1.09Å | 1.10Å | |
| C14 | H47 | sing | 1.09Å | 1.10Å | |
| C15 | H48 | sing | 1.09Å | 1.10Å | |
| C15 | H49 | sing | 1.09Å | 1.10Å | |
| C17 | H50 | sing | 1.09Å | 1.10Å | |
| C17 | H51 | sing | 1.09Å | 1.10Å | |
| C2 | H52 | sing | 1.09Å | 1.10Å | |
| C21 | H53 | sing | 1.09Å | 1.10Å | |
| C3 | H54 | sing | 1.09Å | 1.10Å | |
| C33 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C4 | H57 | sing | 1.09Å | 1.10Å | |
| C40 | H58 | sing | 1.09Å | 1.10Å | |
| C40 | H59 | sing | 1.09Å | 1.10Å | |
| C40 | H60 | sing | 1.09Å | 1.10Å | |
| C45 | H61 | sing | 1.09Å | 1.10Å | |
| C46 | H62 | sing | 1.09Å | 1.10Å | |
| C47 | H63 | sing | 1.09Å | 1.10Å | |
| C48 | H64 | sing | 1.09Å | 1.10Å | |
| C48 | H65 | sing | 1.09Å | 1.10Å | |
| C5 | H66 | sing | 1.09Å | 1.10Å | |
| C6 | H67 | sing | 1.09Å | 1.10Å | |
| C6 | H68 | sing | 1.09Å | 1.10Å | |
| C7 | H69 | sing | 1.09Å | 1.10Å | |
| C7 | H70 | sing | 1.09Å | 1.10Å | |
| C8 | H71 | sing | 1.09Å | 1.10Å | |
| C9 | H72 | sing | 1.09Å | 1.10Å | |
| C9 | H73 | sing | 1.09Å | 1.10Å | |
| O2 | H74 | sing | 0.97Å | 0.95Å | |
| O3 | H75 | sing | 0.97Å | 0.95Å | |
| O49 | H76 | sing | 0.97Å | 0.95Å | |
| O5 | H77 | sing | 0.97Å | 0.95Å | |
| O50 | H78 | sing | 0.97Å | 0.95Å | |
| O51 | H79 | sing | 0.97Å | 0.95Å | |
| O53 | H80 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C23 | 109.7° | 109.5° |
| C22 | C21 | C20 | 110.4° | 109.5° |
| C21 | C22 | H3 | 109.5° | 109.5° |
| C21 | C22 | H4 | 109.4° | 109.5° |
| C21 | C22 | H5 | 109.5° | 109.5° |
| C22 | C21 | H53 | 108.5° | 109.5° |
| C23 | C21 | C20 | 111.1° | 109.4° |
| C21 | C23 | H14 | 109.5° | 109.5° |
| C21 | C23 | H15 | 109.5° | 109.4° |
| C21 | C23 | H16 | 109.5° | 109.5° |
| C23 | C21 | H53 | 108.5° | 109.5° |
| C21 | C20 | C19 | 111.0° | 109.4° |
| C21 | C20 | H1 | 109.1° | 109.5° |
| C21 | C20 | H2 | 109.1° | 109.5° |
| C20 | C21 | H53 | 108.5° | 109.5° |
| C20 | C19 | C18 | 110.2° | 109.5° |
| C19 | C20 | H1 | 109.1° | 109.4° |
| C19 | C20 | H2 | 109.1° | 109.4° |
| C20 | C19 | H12 | 109.3° | 109.4° |
| C20 | C19 | H13 | 109.3° | 109.4° |
| C19 | C18 | C17 | 111.1° | 109.5° |
| C19 | C18 | H10 | 109.1° | 109.5° |
| C19 | C18 | H11 | 109.1° | 109.5° |
| C18 | C19 | H12 | 109.3° | 109.5° |
| C18 | C19 | H13 | 109.3° | 109.5° |
| C18 | C17 | C16 | 111.1° | 109.5° |
| C17 | C18 | H10 | 109.0° | 109.4° |
| C17 | C18 | H11 | 109.1° | 109.4° |
| C18 | C17 | H50 | 109.1° | 109.4° |
| C18 | C17 | H51 | 109.1° | 109.4° |
| C17 | C16 | C15 | 110.5° | 109.5° |
| C17 | C16 | H8 | 109.2° | 109.4° |
| C17 | C16 | H9 | 109.2° | 109.5° |
| C16 | C17 | H50 | 109.1° | 109.5° |
| C16 | C17 | H51 | 109.1° | 109.5° |
| C16 | C15 | C14 | 111.6° | 109.5° |
| C15 | C16 | H8 | 109.2° | 109.5° |
| C15 | C16 | H9 | 109.2° | 109.5° |
| C16 | C15 | H48 | 108.9° | 109.5° |
| C16 | C15 | H49 | 108.9° | 109.5° |
| C36 | C35 | C34 | 112.7° | 109.5° |
| C35 | C36 | C37 | 110.0° | 109.5° |
| C36 | C35 | H27 | 108.7° | 109.5° |
| C36 | C35 | H28 | 108.7° | 109.5° |
| C35 | C36 | H29 | 109.3° | 109.4° |
| C35 | C36 | H30 | 109.3° | 109.5° |
| C35 | C34 | C33 | 109.0° | 109.5° |
| C35 | C34 | H25 | 109.6° | 109.5° |
| C35 | C34 | H26 | 109.6° | 109.5° |
| C34 | C35 | H27 | 108.7° | 109.5° |
| C34 | C35 | H28 | 108.7° | 109.5° |
| C36 | C37 | C38 | 111.4° | 109.4° |
| C37 | C36 | H29 | 109.3° | 109.5° |
| C37 | C36 | H30 | 109.3° | 109.5° |
| C36 | C37 | H31 | 109.0° | 109.4° |
| C36 | C37 | H32 | 109.0° | 109.5° |
| C37 | C38 | C39 | 109.8° | 109.4° |
| C38 | C37 | H31 | 109.0° | 109.5° |
| C38 | C37 | H32 | 109.0° | 109.5° |
| C37 | C38 | H33 | 109.4° | 109.5° |
| C37 | C38 | H34 | 109.4° | 109.5° |
| C34 | C33 | C32 | 112.3° | 109.5° |
| C33 | C34 | H25 | 109.6° | 109.5° |
| C33 | C34 | H26 | 109.6° | 109.4° |
| C34 | C33 | H55 | 108.8° | 109.4° |
| C34 | C33 | H56 | 108.8° | 109.5° |
| C33 | C32 | C31 | 107.9° | 109.5° |
| C33 | C32 | H23 | 109.9° | 109.5° |
| C33 | C32 | H24 | 109.9° | 109.5° |
| C32 | C33 | H55 | 108.8° | 109.5° |
| C32 | C33 | H56 | 108.7° | 109.5° |
| C30 | C31 | C32 | 113.9° | 109.5° |
| C31 | C30 | C29 | 109.8° | 109.5° |
| C31 | C30 | H19 | 109.4° | 109.5° |
| C31 | C30 | H20 | 109.4° | 109.5° |
| C30 | C31 | H21 | 108.3° | 109.5° |
| C30 | C31 | H22 | 108.4° | 109.5° |
| C32 | C31 | H21 | 108.4° | 109.4° |
| C32 | C31 | H22 | 108.3° | 109.5° |
| C31 | C32 | H23 | 109.8° | 109.5° |
| C31 | C32 | H24 | 109.9° | 109.5° |
| C41 | C39 | C38 | 110.5° | 109.5° |
| C41 | C39 | C40 | 109.7° | 109.4° |
| C41 | C39 | H35 | 108.7° | 109.5° |
| C39 | C41 | H36 | 109.5° | 109.5° |
| C39 | C41 | H37 | 109.5° | 109.5° |
| C39 | C41 | H38 | 109.4° | 109.5° |
| C38 | C39 | C40 | 110.5° | 109.5° |
| C39 | C38 | H33 | 109.4° | 109.5° |
| C39 | C38 | H34 | 109.4° | 109.4° |
| C38 | C39 | H35 | 108.6° | 109.5° |
| C40 | C39 | H35 | 108.7° | 109.5° |
| C39 | C40 | H58 | 109.5° | 109.5° |
| C39 | C40 | H59 | 109.4° | 109.5° |
| C39 | C40 | H60 | 109.5° | 109.5° |
| C15 | C14 | C13 | 110.0° | 109.5° |
| C15 | C14 | H46 | 109.3° | 109.4° |
| C15 | C14 | H47 | 109.3° | 109.4° |
| C14 | C15 | H48 | 109.0° | 109.4° |
| C14 | C15 | H49 | 108.9° | 109.5° |
| C30 | C29 | C28 | 111.2° | 109.5° |
| C30 | C29 | H17 | 109.0° | 109.5° |
| C30 | C29 | H18 | 109.0° | 109.5° |
| C29 | C30 | H19 | 109.4° | 109.5° |
| C29 | C30 | H20 | 109.4° | 109.5° |
| C14 | C13 | C12 | 111.9° | 109.5° |
| C14 | C13 | H44 | 108.9° | 109.5° |
| C14 | C13 | H45 | 108.9° | 109.5° |
| C13 | C14 | H46 | 109.3° | 109.5° |
| C13 | C14 | H47 | 109.4° | 109.5° |
| C13 | C12 | C11 | 109.8° | 109.5° |
| C13 | C12 | H42 | 109.4° | 109.4° |
| C13 | C12 | H43 | 109.4° | 109.4° |
| C12 | C13 | H44 | 108.8° | 109.4° |
| C12 | C13 | H45 | 108.8° | 109.4° |
| C29 | C28 | O10 | 122.2° | 120.0° |
| C29 | C28 | O8 | 116.0° | 120.0° |
| C28 | C29 | H17 | 109.0° | 109.4° |
| C28 | C29 | H18 | 109.0° | 109.4° |
| O10 | C28 | O8 | 121.2° | 120.0° |
| C28 | O8 | C9 | 116.3° | 117.0° |
| C12 | C11 | C10 | 110.8° | 109.4° |
| C12 | C11 | H6 | 109.1° | 109.5° |
| C12 | C11 | H7 | 109.2° | 109.4° |
| C11 | C12 | H42 | 109.4° | 109.5° |
| C11 | C12 | H43 | 109.4° | 109.5° |
| O8 | C9 | C8 | 103.6° | 109.5° |
| O8 | C9 | H72 | 110.9° | 109.5° |
| O8 | C9 | H73 | 110.9° | 109.5° |
| C11 | C10 | O7 | 117.7° | 120.0° |
| C11 | C10 | O9 | 120.6° | 120.0° |
| C10 | C11 | H6 | 109.1° | 109.5° |
| C10 | C11 | H7 | 109.2° | 109.5° |
| C9 | C8 | O7 | 100.8° | 109.4° |
| C9 | C8 | C7 | 109.4° | 109.5° |
| C9 | C8 | H71 | 111.2° | 109.5° |
| C8 | C9 | H72 | 110.9° | 109.5° |
| C8 | C9 | H73 | 110.9° | 109.5° |
| C10 | O7 | C8 | 121.7° | 117.0° |
| O7 | C10 | O9 | 121.7° | 120.0° |
| O7 | C8 | C7 | 110.6° | 109.5° |
| O7 | C8 | H71 | 113.2° | 109.5° |
| C8 | C7 | O1 | 110.2° | 109.5° |
| C8 | C7 | H69 | 109.3° | 109.4° |
| C8 | C7 | H70 | 109.3° | 109.5° |
| C7 | C8 | H71 | 111.2° | 109.5° |
| C7 | O1 | C1 | 116.5° | 114.0° |
| O1 | C7 | H69 | 109.3° | 109.5° |
| O1 | C7 | H70 | 109.3° | 109.5° |
| O1 | C1 | O6 | 106.8° | 109.5° |
| O1 | C1 | C2 | 111.0° | 109.5° |
| O1 | C1 | H41 | 110.2° | 109.5° |
| O6 | C1 | C2 | 110.3° | 109.4° |
| C1 | O6 | C5 | 121.8° | 114.1° |
| O6 | C1 | H41 | 110.2° | 109.5° |
| C1 | C2 | O2 | 111.7° | 109.5° |
| C1 | C2 | C3 | 109.6° | 109.2° |
| C2 | C1 | H41 | 108.4° | 109.5° |
| C1 | C2 | H52 | 108.8° | 109.5° |
| O2 | C2 | C3 | 107.0° | 109.5° |
| O2 | C2 | H52 | 110.7° | 109.6° |
| C2 | O2 | H74 | 109.5° | 114.0° |
| O6 | C5 | C6 | 107.8° | 109.5° |
| O6 | C5 | C4 | 110.1° | 109.4° |
| O6 | C5 | H66 | 110.2° | 109.5° |
| C2 | C3 | C4 | 108.9° | 109.0° |
| C2 | C3 | O3 | 109.0° | 109.5° |
| C3 | C2 | H52 | 108.9° | 109.5° |
| C2 | C3 | H54 | 109.0° | 109.5° |
| C6 | C5 | C4 | 111.7° | 109.5° |
| C5 | C6 | O5 | 109.7° | 109.4° |
| C6 | C5 | H66 | 108.5° | 109.5° |
| C5 | C6 | H67 | 109.4° | 109.5° |
| C5 | C6 | H68 | 109.4° | 109.5° |
| C5 | C4 | C3 | 106.5° | 109.2° |
| C5 | C4 | O4 | 112.3° | 109.6° |
| C5 | C4 | H57 | 109.0° | 109.6° |
| C4 | C5 | H66 | 108.5° | 109.4° |
| C4 | C3 | O3 | 110.1° | 109.6° |
| C3 | C4 | O4 | 108.9° | 109.5° |
| C4 | C3 | H54 | 109.0° | 109.5° |
| C3 | C4 | H57 | 109.2° | 109.5° |
| O3 | C3 | H54 | 110.8° | 109.6° |
| C3 | O3 | H75 | 109.5° | 114.0° |
| O5 | C6 | H67 | 109.4° | 109.5° |
| O5 | C6 | H68 | 109.4° | 109.5° |
| C6 | O5 | H77 | 109.5° | 114.0° |
| C4 | O4 | C43 | 110.4° | 114.0° |
| O4 | C4 | H57 | 110.8° | 109.5° |
| O4 | C43 | O52 | 108.8° | 109.5° |
| O4 | C43 | C44 | 111.8° | 109.5° |
| O4 | C43 | H39 | 109.7° | 109.5° |
| O52 | C43 | C44 | 108.6° | 109.4° |
| C43 | O52 | C47 | 116.3° | 114.1° |
| O52 | C43 | H39 | 109.8° | 109.5° |
| C43 | C44 | O49 | 110.1° | 109.5° |
| C43 | C44 | C45 | 110.6° | 109.1° |
| C44 | C43 | H39 | 108.1° | 109.4° |
| C43 | C44 | H40 | 108.2° | 109.5° |
| O49 | C44 | C45 | 109.8° | 109.5° |
| O49 | C44 | H40 | 109.9° | 109.6° |
| C44 | O49 | H76 | 109.5° | 114.0° |
| O52 | C47 | C48 | 108.4° | 109.5° |
| O52 | C47 | C46 | 109.6° | 109.4° |
| O52 | C47 | H63 | 110.9° | 109.5° |
| C48 | C47 | C46 | 109.9° | 109.5° |
| C47 | C48 | O53 | 110.1° | 109.5° |
| C48 | C47 | H63 | 109.0° | 109.5° |
| C47 | C48 | H64 | 109.3° | 109.5° |
| C47 | C48 | H65 | 109.3° | 109.5° |
| C47 | C46 | C45 | 110.7° | 109.2° |
| C47 | C46 | O51 | 109.5° | 109.5° |
| C47 | C46 | H62 | 108.6° | 109.6° |
| C46 | C47 | H63 | 109.0° | 109.5° |
| C44 | C45 | C46 | 111.1° | 109.0° |
| C44 | C45 | O50 | 108.3° | 109.5° |
| C45 | C44 | H40 | 108.2° | 109.5° |
| C44 | C45 | H61 | 108.8° | 109.6° |
| O53 | C48 | H64 | 109.3° | 109.4° |
| O53 | C48 | H65 | 109.3° | 109.5° |
| C48 | O53 | H80 | 109.5° | 114.1° |
| C46 | C45 | O50 | 109.2° | 109.6° |
| C45 | C46 | O51 | 109.1° | 109.5° |
| C46 | C45 | H61 | 108.8° | 109.6° |
| C45 | C46 | H62 | 108.5° | 109.5° |
| O50 | C45 | H61 | 110.6° | 109.6° |
| C45 | O50 | H78 | 109.5° | 114.0° |
| O51 | C46 | H62 | 110.4° | 109.5° |
| C46 | O51 | H79 | 109.5° | 114.0° |
| H1 | C20 | H2 | 109.5° | 109.5° |
| H3 | C22 | H4 | 109.5° | 109.5° |
| H3 | C22 | H5 | 109.4° | 109.4° |
| H4 | C22 | H5 | 109.5° | 109.4° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H10 | C18 | H11 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.4° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H14 | C23 | H16 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H17 | C29 | H18 | 109.4° | 109.5° |
| H19 | C30 | H20 | 109.4° | 109.4° |
| H21 | C31 | H22 | 109.5° | 109.5° |
| H23 | C32 | H24 | 109.5° | 109.4° |
| H25 | C34 | H26 | 109.4° | 109.5° |
| H27 | C35 | H28 | 109.5° | 109.4° |
| H29 | C36 | H30 | 109.5° | 109.5° |
| H31 | C37 | H32 | 109.5° | 109.5° |
| H33 | C38 | H34 | 109.5° | 109.5° |
| H36 | C41 | H37 | 109.4° | 109.4° |
| H36 | C41 | H38 | 109.5° | 109.5° |
| H37 | C41 | H38 | 109.5° | 109.4° |
| H42 | C12 | H43 | 109.5° | 109.5° |
| H44 | C13 | H45 | 109.5° | 109.5° |
| H46 | C14 | H47 | 109.5° | 109.5° |
| H48 | C15 | H49 | 109.5° | 109.4° |
| H50 | C17 | H51 | 109.5° | 109.5° |
| H55 | C33 | H56 | 109.4° | 109.5° |
| H58 | C40 | H59 | 109.5° | 109.5° |
| H58 | C40 | H60 | 109.5° | 109.5° |
| H59 | C40 | H60 | 109.5° | 109.4° |
| H64 | C48 | H65 | 109.5° | 109.4° |
| H67 | C6 | H68 | 109.5° | 109.5° |
| H69 | C7 | H70 | 109.5° | 109.4° |
| H72 | C9 | H73 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C23 | C20 | 122.4° | 120.0° |
| C22 | C21 | C23 | H53 | 118.4° | 120.0° |
| C22 | C21 | C20 | H53 | 118.8° | 120.0° |
| C22 | C21 | C20 | C19 | 171.5° | 65.0° |
| C22 | C21 | C20 | H1 | 51.3° | 54.9° |
| C22 | C21 | C20 | H2 | 68.2° | 175.0° |
| C21 | C22 | H3 | H4 | 120.0° | 120.0° |
| C21 | C22 | H3 | H5 | 120.0° | 120.1° |
| C21 | C22 | H4 | H5 | 120.0° | 120.0° |
| C22 | C21 | C23 | H14 | 180.0° | 60.0° |
| C22 | C21 | C23 | H15 | 60.0° | 180.0° |
| C22 | C21 | C23 | H16 | 60.0° | 60.0° |
| C23 | C21 | C20 | H53 | 119.2° | 120.0° |
| C23 | C21 | C20 | C19 | 66.5° | 175.0° |
| C23 | C21 | C20 | H1 | 173.2° | 65.0° |
| C23 | C21 | C20 | H2 | 53.7° | 55.1° |
| C23 | C21 | C22 | H3 | 180.0° | 60.0° |
| C23 | C21 | C22 | H4 | 60.0° | 180.0° |
| C23 | C21 | C22 | H5 | 60.0° | 60.0° |
| C21 | C23 | H14 | H15 | 120.0° | 120.0° |
| C21 | C23 | H14 | H16 | 120.0° | 120.0° |
| C21 | C23 | H15 | H16 | 120.0° | 120.0° |
| C21 | C20 | C19 | H1 | 120.2° | 120.0° |
| C21 | C20 | C19 | H2 | 120.2° | 120.0° |
| C21 | C20 | C19 | C18 | 170.5° | 180.0° |
| C21 | C20 | H1 | H2 | 119.3° | 120.1° |
| C20 | C21 | C22 | H3 | 57.2° | 180.0° |
| C20 | C21 | C22 | H4 | 177.2° | 60.0° |
| C20 | C21 | C22 | H5 | 62.8° | 59.9° |
| C21 | C20 | C19 | H12 | 69.3° | 60.0° |
| C21 | C20 | C19 | H13 | 50.4° | 60.0° |
| C20 | C21 | C23 | H14 | 57.6° | 60.0° |
| C20 | C21 | C23 | H15 | 62.4° | 60.0° |
| C20 | C21 | C23 | H16 | 177.6° | 180.0° |
| C20 | C19 | C18 | H12 | 120.1° | 120.0° |
| C20 | C19 | C18 | H13 | 120.1° | 120.0° |
| C20 | C19 | C18 | C17 | 166.0° | 180.0° |
| C19 | C20 | H1 | H2 | 119.3° | 120.0° |
| C20 | C19 | C18 | H10 | 45.8° | 60.0° |
| C20 | C19 | C18 | H11 | 73.8° | 60.0° |
| C20 | C19 | H12 | H13 | 119.6° | 120.0° |
| C19 | C20 | C21 | H53 | 52.7° | 55.0° |
| C19 | C18 | C17 | H10 | 120.2° | 120.0° |
| C19 | C18 | C17 | H11 | 120.2° | 120.0° |
| C19 | C18 | C17 | C16 | 169.1° | 180.0° |
| C18 | C19 | C20 | H1 | 50.3° | 60.0° |
| C18 | C19 | C20 | H2 | 69.2° | 60.0° |
| C19 | C18 | H10 | H11 | 119.3° | 120.0° |
| C18 | C19 | H12 | H13 | 119.7° | 120.0° |
| C19 | C18 | C17 | H50 | 48.9° | 60.0° |
| C19 | C18 | C17 | H51 | 70.7° | 60.0° |
| C18 | C17 | C16 | H50 | 120.2° | 120.0° |
| C18 | C17 | C16 | H51 | 120.2° | 120.0° |
| C18 | C17 | C16 | C15 | 176.1° | 180.0° |
| C18 | C17 | C16 | H8 | 63.7° | 60.0° |
| C18 | C17 | C16 | H9 | 56.0° | 60.0° |
| C17 | C18 | H10 | H11 | 119.3° | 120.0° |
| C17 | C18 | C19 | H12 | 73.9° | 60.0° |
| C17 | C18 | C19 | H13 | 45.9° | 60.0° |
| C18 | C17 | H50 | H51 | 119.3° | 120.0° |
| C17 | C16 | C15 | H8 | 120.2° | 120.0° |
| C17 | C16 | C15 | H9 | 120.2° | 120.0° |
| C17 | C16 | C15 | C14 | 177.4° | 180.0° |
| C17 | C16 | H8 | H9 | 119.6° | 120.0° |
| C16 | C17 | C18 | H10 | 70.7° | 60.0° |
| C16 | C17 | C18 | H11 | 48.9° | 60.0° |
| C17 | C16 | C15 | H48 | 62.3° | 59.9° |
| C17 | C16 | C15 | H49 | 57.1° | 60.0° |
| C16 | C17 | H50 | H51 | 119.3° | 120.1° |
| C16 | C15 | C14 | H48 | 120.3° | 120.1° |
| C16 | C15 | C14 | H49 | 120.3° | 120.0° |
| C16 | C15 | C14 | C13 | 159.9° | 180.0° |
| C15 | C16 | H8 | H9 | 119.5° | 120.0° |
| C16 | C15 | C14 | H46 | 80.0° | 60.0° |
| C16 | C15 | C14 | H47 | 39.8° | 60.0° |
| C16 | C15 | H48 | H49 | 119.0° | 120.0° |
| C15 | C16 | C17 | H50 | 55.9° | 60.1° |
| C15 | C16 | C17 | H51 | 63.6° | 60.0° |
| C36 | C35 | C34 | H27 | 120.5° | 120.0° |
| C36 | C35 | C34 | H28 | 120.5° | 120.0° |
| C35 | C36 | C37 | H29 | 120.1° | 120.0° |
| C35 | C36 | C37 | H30 | 120.1° | 120.0° |
| C35 | C36 | C37 | C38 | 154.3° | 180.0° |
| C36 | C35 | C34 | C33 | 169.4° | 180.0° |
| C36 | C35 | C34 | H25 | 70.7° | 60.0° |
| C36 | C35 | C34 | H26 | 49.4° | 60.0° |
| C36 | C35 | H27 | H28 | 118.6° | 120.0° |
| C35 | C36 | H29 | H30 | 119.7° | 120.0° |
| C35 | C36 | C37 | H31 | 85.4° | 60.0° |
| C35 | C36 | C37 | H32 | 34.0° | 60.0° |
| C34 | C35 | C36 | C37 | 81.7° | 180.0° |
| C35 | C34 | C33 | H25 | 119.9° | 120.0° |
| C35 | C34 | C33 | H26 | 119.9° | 120.0° |
| C35 | C34 | C33 | C32 | 179.0° | 180.0° |
| C35 | C34 | H25 | H26 | 120.2° | 120.0° |
| C34 | C35 | H27 | H28 | 118.5° | 120.0° |
| C34 | C35 | C36 | H29 | 38.4° | 60.0° |
| C34 | C35 | C36 | H30 | 158.2° | 60.0° |
| C35 | C34 | C33 | H55 | 58.5° | 60.1° |
| C35 | C34 | C33 | H56 | 60.6° | 60.0° |
| C36 | C37 | C38 | H31 | 120.3° | 120.0° |
| C36 | C37 | C38 | H32 | 120.3° | 120.0° |
| C36 | C37 | C38 | C39 | 169.1° | 180.0° |
| C37 | C36 | C35 | H27 | 38.7° | 60.0° |
| C37 | C36 | C35 | H28 | 157.8° | 60.0° |
| C37 | C36 | H29 | H30 | 119.7° | 120.0° |
| C36 | C37 | H31 | H32 | 119.1° | 120.0° |
| C36 | C37 | C38 | H33 | 70.9° | 60.0° |
| C36 | C37 | C38 | H34 | 49.0° | 60.1° |
| C37 | C38 | C39 | C41 | 65.7° | 65.0° |
| C37 | C38 | C39 | H33 | 120.0° | 120.0° |
| C37 | C38 | C39 | H34 | 120.1° | 120.0° |
| C37 | C38 | C39 | C40 | 172.7° | 175.0° |
| C38 | C37 | C36 | H29 | 34.3° | 60.0° |
| C38 | C37 | C36 | H30 | 85.6° | 60.0° |
| C38 | C37 | H31 | H32 | 119.2° | 120.0° |
| C37 | C38 | H33 | H34 | 119.9° | 120.1° |
| C37 | C38 | C39 | H35 | 53.5° | 55.0° |
| C34 | C33 | C32 | H55 | 120.5° | 119.9° |
| C34 | C33 | C32 | H56 | 120.4° | 120.0° |
| C34 | C33 | C32 | C31 | 177.1° | 180.0° |
| C34 | C33 | C32 | H23 | 63.2° | 60.0° |
| C34 | C33 | C32 | H24 | 57.3° | 60.0° |
| C33 | C34 | H25 | H26 | 120.2° | 120.0° |
| C33 | C34 | C35 | H27 | 48.9° | 60.0° |
| C33 | C34 | C35 | H28 | 70.1° | 60.0° |
| C34 | C33 | H55 | H56 | 118.7° | 120.0° |
| C33 | C32 | C31 | C30 | 171.2° | 180.0° |
| C33 | C32 | C31 | H23 | 119.7° | 120.0° |
| C33 | C32 | C31 | H24 | 119.7° | 120.0° |
| C33 | C32 | C31 | H21 | 68.1° | 60.0° |
| C33 | C32 | C31 | H22 | 50.6° | 60.0° |
| C33 | C32 | H23 | H24 | 120.7° | 120.0° |
| C32 | C33 | C34 | H25 | 61.1° | 60.0° |
| C32 | C33 | C34 | H26 | 59.0° | 60.0° |
| C32 | C33 | H55 | H56 | 118.7° | 120.0° |
| C30 | C31 | C32 | H21 | 120.7° | 120.0° |
| C30 | C31 | C32 | H22 | 120.7° | 120.0° |
| C31 | C30 | C29 | H19 | 120.1° | 120.0° |
| C31 | C30 | C29 | H20 | 120.1° | 120.0° |
| C31 | C30 | C29 | C28 | 160.1° | 180.0° |
| C31 | C30 | C29 | H17 | 39.8° | 60.0° |
| C31 | C30 | C29 | H18 | 79.6° | 60.1° |
| C31 | C30 | H19 | H20 | 119.9° | 120.0° |
| C30 | C31 | H21 | H22 | 118.0° | 120.0° |
| C30 | C31 | C32 | H23 | 69.0° | 60.0° |
| C30 | C31 | C32 | H24 | 51.5° | 60.0° |
| C32 | C31 | C30 | C29 | 41.9° | NaN° |
| C32 | C31 | C30 | H19 | 78.2° | 60.0° |
| C32 | C31 | C30 | H20 | 161.9° | 60.0° |
| C32 | C31 | H21 | H22 | 117.9° | 120.0° |
| C31 | C32 | H23 | H24 | 120.7° | 120.0° |
| C31 | C32 | C33 | H55 | 56.6° | 60.0° |
| C31 | C32 | C33 | H56 | 62.5° | 60.0° |
| C41 | C39 | C38 | C40 | 121.7° | 120.0° |
| C41 | C39 | C38 | H35 | 119.2° | 120.0° |
| C41 | C39 | C40 | H35 | 118.7° | 120.0° |
| C41 | C39 | C38 | H33 | 54.4° | 55.0° |
| C41 | C39 | C38 | H34 | 174.3° | 175.0° |
| C39 | C41 | H36 | H37 | 120.0° | 120.1° |
| C39 | C41 | H36 | H38 | 120.0° | 120.0° |
| C39 | C41 | H37 | H38 | 120.0° | 120.0° |
| C41 | C39 | C40 | H58 | 180.0° | 60.0° |
| C41 | C39 | C40 | H59 | 60.0° | 180.0° |
| C41 | C39 | C40 | H60 | 60.0° | 60.1° |
| C38 | C39 | C40 | H35 | 119.1° | 120.0° |
| C39 | C38 | C37 | H31 | 48.8° | 60.0° |
| C39 | C38 | C37 | H32 | 70.6° | 60.0° |
| C39 | C38 | H33 | H34 | 119.8° | 119.9° |
| C38 | C39 | C41 | H36 | 180.0° | 60.0° |
| C38 | C39 | C41 | H37 | 60.0° | 180.0° |
| C38 | C39 | C41 | H38 | 60.0° | 60.0° |
| C38 | C39 | C40 | H58 | 57.9° | 60.0° |
| C38 | C39 | C40 | H59 | 177.9° | 60.0° |
| C38 | C39 | C40 | H60 | 62.2° | 179.9° |
| C40 | C39 | C38 | H33 | 67.3° | 65.0° |
| C40 | C39 | C38 | H34 | 52.6° | 55.0° |
| C40 | C39 | C41 | H36 | 57.9° | 60.0° |
| C40 | C39 | C41 | H37 | 177.8° | 60.0° |
| C40 | C39 | C41 | H38 | 62.1° | 180.0° |
| C39 | C40 | H58 | H59 | 120.0° | 120.0° |
| C39 | C40 | H58 | H60 | 120.0° | 120.0° |
| C39 | C40 | H59 | H60 | 120.0° | 120.0° |
| C15 | C14 | C13 | H46 | 120.1° | 120.0° |
| C15 | C14 | C13 | H47 | 120.1° | 120.0° |
| C15 | C14 | C13 | C12 | 173.0° | 180.0° |
| C14 | C15 | C16 | H8 | 57.2° | 60.0° |
| C14 | C15 | C16 | H9 | 62.5° | 60.0° |
| C15 | C14 | C13 | H44 | 66.6° | 60.0° |
| C15 | C14 | C13 | H45 | 52.7° | 60.1° |
| C15 | C14 | H46 | H47 | 119.7° | 119.9° |
| C14 | C15 | H48 | H49 | 119.1° | 119.9° |
| C30 | C29 | C28 | H17 | 120.3° | 120.0° |
| C30 | C29 | C28 | H18 | 120.3° | 120.0° |
| C30 | C29 | C28 | O10 | 13.6° | 0.0° |
| C30 | C29 | C28 | O8 | 158.0° | 180.0° |
| C30 | C29 | H17 | H18 | 119.2° | 120.0° |
| C29 | C30 | H19 | H20 | 119.8° | 120.0° |
| C29 | C30 | C31 | H21 | 78.8° | 60.0° |
| C29 | C30 | C31 | H22 | 162.5° | 60.0° |
| C14 | C13 | C12 | H44 | 120.4° | 120.0° |
| C14 | C13 | C12 | H45 | 120.4° | 120.0° |
| C14 | C13 | C12 | C11 | 175.8° | 180.0° |
| C14 | C13 | C12 | H42 | 64.1° | 60.0° |
| C14 | C13 | C12 | H43 | 55.8° | 60.0° |
| C14 | C13 | H44 | H45 | 118.9° | 120.1° |
| C13 | C14 | H46 | H47 | 119.8° | 120.1° |
| C13 | C14 | C15 | H48 | 39.6° | 59.9° |
| C13 | C14 | C15 | H49 | 79.8° | 60.0° |
| C13 | C12 | C11 | H42 | 120.0° | 120.0° |
| C13 | C12 | C11 | H43 | 120.1° | 120.0° |
| C13 | C12 | C11 | C10 | 176.4° | 180.0° |
| C13 | C12 | C11 | H6 | 63.5° | 60.0° |
| C13 | C12 | C11 | H7 | 56.1° | 60.0° |
| C13 | C12 | H42 | H43 | 119.8° | 119.9° |
| C12 | C13 | H44 | H45 | 118.9° | 119.9° |
| C12 | C13 | C14 | H46 | 52.9° | 60.0° |
| C12 | C13 | C14 | H47 | 66.9° | 60.0° |
| C29 | C28 | O10 | O8 | 171.2° | 179.9° |
| C29 | C28 | O8 | C9 | 154.3° | 180.0° |
| C28 | C29 | H17 | H18 | 119.2° | 119.9° |
| C28 | C29 | C30 | H19 | 79.8° | 60.0° |
| C28 | C29 | C30 | H20 | 40.0° | 60.0° |
| O10 | C28 | O8 | C9 | 17.4° | 0.1° |
| O10 | C28 | C29 | H17 | 133.9° | 120.0° |
| O10 | C28 | C29 | H18 | 106.6° | 120.0° |
| C28 | O8 | C9 | C8 | 157.8° | 179.9° |
| O8 | C28 | C29 | H17 | 37.7° | 60.0° |
| O8 | C28 | C29 | H18 | 81.7° | 60.0° |
| C28 | O8 | C9 | H72 | 83.1° | 60.1° |
| C28 | O8 | C9 | H73 | 38.8° | 59.9° |
| C12 | C11 | C10 | H6 | 120.2° | 120.0° |
| C12 | C11 | C10 | H7 | 120.2° | 120.0° |
| C12 | C11 | C10 | O7 | 7.4° | 179.7° |
| C12 | C11 | C10 | O9 | 172.9° | 0.0° |
| C12 | C11 | H6 | H7 | 119.4° | 120.0° |
| C11 | C12 | H42 | H43 | 119.9° | 120.0° |
| C11 | C12 | C13 | H44 | 55.5° | 60.0° |
| C11 | C12 | C13 | H45 | 63.8° | 60.0° |
| O8 | C9 | C8 | H72 | 119.1° | 120.0° |
| O8 | C9 | C8 | H73 | 119.0° | 120.0° |
| O8 | C9 | C8 | O7 | 52.3° | 65.0° |
| O8 | C9 | C8 | C7 | 64.2° | 55.0° |
| O8 | C9 | C8 | H71 | 172.6° | 175.0° |
| O8 | C9 | H72 | H73 | 122.7° | 120.0° |
| C11 | C10 | O7 | O9 | 179.7° | 179.7° |
| C11 | C10 | O7 | C8 | 179.5° | 179.7° |
| C10 | C11 | H6 | H7 | 119.4° | 120.1° |
| C10 | C11 | C12 | H42 | 56.3° | 60.0° |
| C10 | C11 | C12 | H43 | 63.6° | 60.0° |
| C9 | C8 | O7 | C10 | 172.7° | 150.0° |
| C9 | C8 | O7 | C7 | 115.6° | 120.0° |
| C9 | C8 | O7 | H71 | 118.9° | 120.0° |
| C9 | C8 | C7 | H71 | 123.2° | 120.0° |
| C9 | C8 | C7 | O1 | 156.2° | 55.0° |
| C9 | C8 | C7 | H69 | 83.7° | 65.0° |
| C9 | C8 | C7 | H70 | 36.1° | 175.0° |
| C8 | C9 | H72 | H73 | 122.8° | 120.0° |
| C10 | O7 | C8 | C7 | 71.6° | 90.0° |
| O7 | C10 | C11 | H6 | 112.7° | 59.7° |
| O7 | C10 | C11 | H7 | 127.7° | 60.3° |
| C10 | O7 | C8 | H71 | 53.9° | 30.0° |
| C8 | O7 | C10 | O9 | 0.2° | 0.1° |
| O7 | C8 | C7 | H71 | 126.6° | 120.0° |
| O7 | C8 | C7 | O1 | 93.6° | 65.0° |
| O7 | C8 | C7 | H69 | 26.5° | 175.0° |
| O7 | C8 | C7 | H70 | 146.3° | 55.1° |
| O7 | C8 | C9 | H72 | 171.3° | 55.0° |
| O7 | C8 | C9 | H73 | 66.8° | 175.0° |
| O9 | C10 | C11 | H6 | 66.9° | 119.9° |
| O9 | C10 | C11 | H7 | 52.7° | 120.0° |
| C8 | C7 | O1 | H69 | 120.1° | 120.0° |
| C8 | C7 | O1 | H70 | 120.1° | 120.1° |
| C8 | C7 | O1 | C1 | 140.9° | 180.0° |
| C8 | C7 | H69 | H70 | 119.7° | 120.0° |
| C7 | C8 | C9 | H72 | 54.8° | 175.0° |
| C7 | C8 | C9 | H73 | 176.7° | 65.1° |
| C7 | O1 | C1 | O6 | 166.3° | 65.0° |
| C7 | O1 | C1 | C2 | 73.5° | 175.1° |
| C7 | O1 | C1 | H41 | 46.6° | 55.0° |
| O1 | C7 | H69 | H70 | 119.6° | 120.0° |
| O1 | C7 | C8 | H71 | 33.0° | 175.0° |
| O1 | C1 | O6 | C2 | 120.7° | 120.0° |
| O1 | C1 | O6 | H41 | 119.7° | 120.0° |
| O1 | C1 | C2 | H41 | 121.1° | 120.0° |
| O1 | C1 | C2 | O2 | 74.3° | 62.5° |
| O1 | C1 | O6 | C5 | 168.2° | 178.9° |
| O1 | C1 | C2 | C3 | 167.3° | 177.6° |
| O1 | C1 | C2 | H52 | 48.2° | 57.7° |
| C1 | O1 | C7 | H69 | 20.8° | 60.0° |
| C1 | O1 | C7 | H70 | 99.0° | 60.0° |
| O6 | C1 | C2 | H41 | 120.7° | 120.0° |
| O6 | C1 | C2 | O2 | 167.6° | 177.5° |
| O6 | C1 | C2 | C3 | 49.1° | 57.6° |
| C1 | O6 | C5 | C6 | 174.1° | 178.9° |
| C1 | O6 | C5 | C4 | 51.9° | 61.1° |
| O6 | C1 | C2 | H52 | 69.9° | 62.3° |
| C1 | O6 | C5 | H66 | 67.7° | 58.8° |
| C1 | C2 | O2 | C3 | 120.0° | 119.7° |
| C1 | C2 | O2 | H52 | 121.4° | 120.2° |
| C2 | C1 | O6 | C5 | 47.6° | 61.2° |
| C1 | C2 | C3 | H52 | 118.9° | 119.9° |
| C1 | C2 | C3 | C4 | 60.5° | 57.0° |
| C1 | C2 | C3 | O3 | 179.3° | 176.9° |
| C1 | C2 | C3 | H54 | 58.3° | 62.9° |
| C1 | C2 | O2 | H74 | 180.0° | 60.0° |
| O2 | C2 | C3 | H52 | 119.7° | 120.2° |
| O2 | C2 | C3 | C4 | 178.2° | 176.9° |
| O2 | C2 | C3 | O3 | 58.0° | 63.2° |
| O2 | C2 | C1 | H41 | 46.9° | 57.5° |
| O2 | C2 | C3 | H54 | 63.0° | 57.0° |
| O6 | C5 | C6 | C4 | 121.1° | 120.0° |
| O6 | C5 | C6 | H66 | 119.3° | 120.0° |
| O6 | C5 | C4 | H66 | 120.7° | 119.9° |
| O6 | C5 | C4 | C3 | 56.2° | 57.5° |
| O6 | C5 | C6 | O5 | 69.7° | 64.1° |
| O6 | C5 | C4 | O4 | 175.3° | 177.5° |
| C5 | O6 | C1 | H41 | 72.1° | 58.9° |
| O6 | C5 | C4 | H57 | 61.5° | 62.3° |
| O6 | C5 | C6 | H67 | 50.3° | 175.8° |
| O6 | C5 | C6 | H68 | 170.2° | 55.9° |
| C2 | C3 | C4 | C5 | 63.3° | 56.9° |
| C2 | C3 | C4 | O3 | 119.4° | 119.9° |
| C2 | C3 | C4 | H54 | 118.8° | 119.8° |
| C2 | C3 | O3 | H54 | 120.0° | 120.2° |
| C2 | C3 | C4 | O4 | 175.4° | 176.9° |
| C3 | C2 | C1 | H41 | 71.6° | 62.4° |
| C2 | C3 | C4 | H57 | 54.3° | 63.0° |
| C3 | C2 | O2 | H74 | 60.0° | 179.7° |
| C2 | C3 | O3 | H75 | 180.0° | 60.0° |
| C6 | C5 | C4 | H66 | 119.6° | 120.0° |
| C6 | C5 | C4 | C3 | 176.0° | 177.6° |
| C5 | C6 | O5 | H67 | 120.0° | 120.0° |
| C5 | C6 | O5 | H68 | 120.0° | 120.0° |
| C6 | C5 | C4 | O4 | 64.9° | 62.5° |
| C6 | C5 | C4 | H57 | 58.3° | 57.7° |
| C5 | C6 | H67 | H68 | 119.9° | 120.0° |
| C5 | C6 | O5 | H77 | 180.0° | 180.0° |
| C5 | C4 | C3 | O4 | 121.3° | 120.0° |
| C5 | C4 | C3 | H57 | 117.6° | 119.9° |
| C5 | C4 | C3 | O3 | 177.3° | 176.8° |
| C4 | C5 | C6 | O5 | 51.4° | 175.9° |
| C5 | C4 | O4 | H57 | 122.2° | 120.2° |
| C5 | C4 | O4 | C43 | 115.0° | 155.0° |
| C5 | C4 | C3 | H54 | 55.6° | 62.9° |
| C4 | C5 | C6 | H67 | 171.4° | 55.9° |
| C4 | C5 | C6 | H68 | 68.6° | 64.1° |
| C4 | C3 | O3 | H54 | 120.6° | 120.2° |
| C3 | C4 | O4 | H57 | 120.1° | 120.1° |
| C3 | C4 | O4 | C43 | 127.3° | 85.2° |
| C4 | C3 | C2 | H52 | 58.4° | 63.0° |
| C3 | C4 | C5 | H66 | 64.5° | 62.4° |
| C4 | C3 | O3 | H75 | 60.6° | 179.6° |
| O3 | C3 | C4 | O4 | 56.0° | 63.2° |
| O3 | C3 | C2 | H52 | 61.7° | 56.9° |
| O3 | C3 | C4 | H57 | 65.1° | 56.9° |
| O5 | C6 | C5 | H66 | 171.0° | 55.9° |
| O5 | C6 | H67 | H68 | 119.9° | 120.0° |
| C4 | O4 | C43 | O52 | 113.0° | 72.4° |
| C4 | O4 | C43 | C44 | 127.1° | 167.7° |
| C4 | O4 | C43 | H39 | 7.2° | 47.7° |
| O4 | C4 | C3 | H54 | 65.8° | 57.1° |
| O4 | C4 | C5 | H66 | 54.7° | 57.5° |
| O4 | C43 | O52 | C44 | 121.9° | 120.0° |
| O4 | C43 | O52 | H39 | 120.1° | 120.0° |
| O4 | C43 | C44 | H39 | 120.9° | 120.0° |
| O4 | C43 | C44 | O49 | 56.6° | 57.5° |
| O4 | C43 | O52 | C47 | 58.7° | 58.8° |
| O4 | C43 | C44 | C45 | 64.9° | 62.4° |
| O4 | C43 | C44 | H40 | 176.7° | 177.7° |
| C43 | O4 | C4 | H57 | 7.2° | 34.8° |
| O52 | C43 | C44 | H39 | 119.1° | 120.0° |
| O52 | C43 | C44 | O49 | 176.6° | 177.5° |
| C43 | O52 | C47 | C48 | 178.1° | 178.8° |
| C43 | O52 | C47 | C46 | 62.0° | 61.2° |
| O52 | C43 | C44 | C45 | 55.1° | 57.6° |
| O52 | C43 | C44 | H40 | 63.3° | 62.3° |
| C43 | O52 | C47 | H63 | 58.5° | 58.8° |
| C43 | C44 | O49 | C45 | 122.0° | 119.6° |
| C43 | C44 | O49 | H40 | 119.1° | 120.2° |
| C44 | C43 | O52 | C47 | 63.1° | 61.2° |
| C43 | C44 | C45 | H40 | 118.4° | 119.9° |
| C43 | C44 | C45 | C46 | 50.8° | 57.0° |
| C43 | C44 | C45 | O50 | 170.8° | 176.8° |
| C43 | C44 | C45 | H61 | 68.9° | 62.9° |
| C43 | C44 | O49 | H76 | 180.0° | 60.1° |
| O49 | C44 | C45 | H40 | 119.9° | 120.2° |
| O49 | C44 | C45 | C46 | 172.5° | 176.9° |
| O49 | C44 | C45 | O50 | 67.5° | 63.3° |
| O49 | C44 | C43 | H39 | 64.3° | 62.5° |
| O49 | C44 | C45 | H61 | 52.8° | 57.0° |
| O52 | C47 | C48 | C46 | 119.8° | 119.9° |
| O52 | C47 | C48 | H63 | 120.8° | 120.1° |
| O52 | C47 | C46 | H63 | 121.6° | 120.0° |
| O52 | C47 | C48 | O53 | 154.8° | 65.1° |
| O52 | C47 | C46 | C45 | 52.3° | 57.6° |
| O52 | C47 | C46 | O51 | 172.6° | 177.5° |
| C47 | O52 | C43 | H39 | 178.8° | 178.8° |
| O52 | C47 | C46 | H62 | 66.8° | 62.3° |
| O52 | C47 | C48 | H64 | 85.0° | 174.9° |
| O52 | C47 | C48 | H65 | 34.8° | 54.9° |
| C48 | C47 | C46 | H63 | 119.4° | 120.1° |
| C47 | C48 | O53 | H64 | 120.1° | 120.0° |
| C47 | C48 | O53 | H65 | 120.1° | 120.1° |
| C48 | C47 | C46 | C45 | 171.3° | 177.6° |
| C48 | C47 | C46 | O51 | 68.4° | 62.5° |
| C48 | C47 | C46 | H62 | 52.2° | 57.6° |
| C47 | C48 | H64 | H65 | 119.7° | 120.0° |
| C47 | C48 | O53 | H80 | 180.0° | 180.0° |
| C47 | C46 | C45 | C44 | 49.2° | 57.0° |
| C46 | C47 | C48 | O53 | 85.4° | 175.0° |
| C47 | C46 | C45 | O51 | 120.6° | 119.9° |
| C47 | C46 | C45 | H62 | 119.1° | 120.0° |
| C47 | C46 | C45 | O50 | 168.6° | 176.8° |
| C47 | C46 | O51 | H62 | 119.5° | 120.2° |
| C47 | C46 | C45 | H61 | 70.6° | 62.9° |
| C46 | C47 | C48 | H64 | 34.8° | 55.0° |
| C46 | C47 | C48 | H65 | 154.6° | 65.0° |
| C47 | C46 | O51 | H79 | 180.0° | 179.7° |
| C44 | C45 | C46 | O50 | 119.4° | 119.8° |
| C44 | C45 | C46 | H61 | 119.8° | 119.9° |
| C44 | C45 | O50 | H61 | 119.2° | 120.2° |
| C44 | C45 | C46 | O51 | 169.8° | 176.9° |
| C45 | C44 | C43 | H39 | 174.2° | 177.6° |
| C44 | C45 | C46 | H62 | 69.9° | 63.0° |
| C45 | C44 | O49 | H76 | 58.0° | 179.7° |
| C44 | C45 | O50 | H78 | 180.0° | 60.1° |
| O53 | C48 | C47 | H63 | 34.1° | 55.0° |
| O53 | C48 | H64 | H65 | 119.7° | 120.0° |
| C46 | C45 | O50 | H61 | 119.7° | 120.3° |
| C45 | C46 | O51 | H62 | 119.2° | 120.1° |
| C46 | C45 | C44 | H40 | 67.6° | 62.9° |
| C45 | C46 | C47 | H63 | 69.3° | 62.3° |
| C46 | C45 | O50 | H78 | 58.9° | 179.6° |
| C45 | C46 | O51 | H79 | 58.7° | 60.0° |
| O50 | C45 | C46 | O51 | 70.8° | 63.3° |
| O50 | C45 | C44 | H40 | 52.4° | 57.0° |
| O50 | C45 | C46 | H62 | 49.5° | 56.8° |
| O51 | C46 | C45 | H61 | 50.0° | 57.0° |
| O51 | C46 | C47 | H63 | 51.1° | 57.6° |
| H1 | C20 | C19 | H12 | 170.4° | 60.0° |
| H1 | C20 | C19 | H13 | 69.8° | 180.0° |
| H1 | C20 | C21 | H53 | 67.5° | 175.0° |
| H2 | C20 | C19 | H12 | 50.9° | 180.0° |
| H2 | C20 | C19 | H13 | 170.6° | 60.0° |
| H2 | C20 | C21 | H53 | 173.0° | 65.0° |
| H3 | C22 | H4 | H5 | 120.0° | 119.9° |
| H3 | C22 | C21 | H53 | 61.6° | 60.0° |
| H4 | C22 | C21 | H53 | 58.4° | 60.0° |
| H5 | C22 | C21 | H53 | 178.4° | 180.0° |
| H6 | C11 | C12 | H42 | 176.5° | 180.0° |
| H6 | C11 | C12 | H43 | 56.6° | 60.0° |
| H7 | C11 | C12 | H42 | 63.9° | 60.0° |
| H7 | C11 | C12 | H43 | 176.2° | 180.0° |
| H8 | C16 | C15 | H48 | 177.5° | 60.0° |
| H8 | C16 | C15 | H49 | 63.1° | NaN° |
| H8 | C16 | C17 | H50 | 176.1° | 180.0° |
| H8 | C16 | C17 | H51 | 56.5° | 60.0° |
| H9 | C16 | C15 | H48 | 57.8° | 180.0° |
| H9 | C16 | C15 | H49 | 177.2° | 60.0° |
| H9 | C16 | C17 | H50 | 64.2° | 60.0° |
| H9 | C16 | C17 | H51 | 176.2° | 180.0° |
| H10 | C18 | C19 | H12 | 165.9° | 180.0° |
| H10 | C18 | C19 | H13 | 74.3° | 60.0° |
| H10 | C18 | C17 | H50 | 169.1° | 60.0° |
| H10 | C18 | C17 | H51 | 49.5° | 180.0° |
| H11 | C18 | C19 | H12 | 46.3° | 60.0° |
| H11 | C18 | C19 | H13 | 166.1° | 180.0° |
| H11 | C18 | C17 | H50 | 71.4° | 180.0° |
| H11 | C18 | C17 | H51 | 169.1° | 60.0° |
| H14 | C23 | H15 | H16 | 120.0° | 120.0° |
| H14 | C23 | C21 | H53 | 61.6° | 180.0° |
| H15 | C23 | C21 | H53 | 178.4° | 60.0° |
| H16 | C23 | C21 | H53 | 58.4° | 60.0° |
| H17 | C29 | C30 | H19 | 159.9° | 180.0° |
| H17 | C29 | C30 | H20 | 80.2° | 60.0° |
| H18 | C29 | C30 | H19 | 40.4° | 60.0° |
| H18 | C29 | C30 | H20 | 160.3° | 179.9° |
| H19 | C30 | C31 | H21 | 161.1° | 180.0° |
| H19 | C30 | C31 | H22 | 42.4° | 60.0° |
| H20 | C30 | C31 | H21 | 41.2° | 60.0° |
| H20 | C30 | C31 | H22 | 77.5° | NaN° |
| H21 | C31 | C32 | H23 | 51.7° | 180.0° |
| H21 | C31 | C32 | H24 | 172.2° | 60.0° |
| H22 | C31 | C32 | H23 | 170.3° | 60.0° |
| H22 | C31 | C32 | H24 | 69.2° | 180.0° |
| H23 | C32 | C33 | H55 | 176.4° | 179.9° |
| H23 | C32 | C33 | H56 | 57.3° | 60.0° |
| H24 | C32 | C33 | H55 | 63.1° | 60.0° |
| H24 | C32 | C33 | H56 | 177.8° | 180.0° |
| H25 | C34 | C35 | H27 | 168.8° | 60.0° |
| H25 | C34 | C35 | H28 | 49.8° | 180.0° |
| H25 | C34 | C33 | H55 | 178.5° | 59.9° |
| H25 | C34 | C33 | H56 | 59.3° | 180.0° |
| H26 | C34 | C35 | H27 | 71.1° | 180.0° |
| H26 | C34 | C35 | H28 | 169.9° | 60.0° |
| H26 | C34 | C33 | H55 | 61.4° | 180.0° |
| H26 | C34 | C33 | H56 | 179.4° | 60.0° |
| H27 | C35 | C36 | H29 | 158.8° | 180.0° |
| H27 | C35 | C36 | H30 | 81.3° | 60.0° |
| H28 | C35 | C36 | H29 | 82.1° | 60.0° |
| H28 | C35 | C36 | H30 | 37.7° | 180.0° |
| H29 | C36 | C37 | H31 | 154.5° | 180.0° |
| H29 | C36 | C37 | H32 | 86.1° | 60.0° |
| H30 | C36 | C37 | H31 | 34.7° | 60.0° |
| H30 | C36 | C37 | H32 | 154.1° | 180.0° |
| H31 | C37 | C38 | H33 | 168.8° | 180.0° |
| H31 | C37 | C38 | H34 | 71.3° | 59.9° |
| H32 | C37 | C38 | H33 | 49.4° | 60.0° |
| H32 | C37 | C38 | H34 | 169.3° | 180.0° |
| H33 | C38 | C39 | H35 | 173.6° | 175.0° |
| H34 | C38 | C39 | H35 | 66.5° | 65.0° |
| H35 | C39 | C41 | H36 | 60.8° | 180.0° |
| H35 | C39 | C41 | H37 | 59.1° | 60.0° |
| H35 | C39 | C41 | H38 | 179.2° | 60.0° |
| H35 | C39 | C40 | H58 | 61.3° | 180.0° |
| H35 | C39 | C40 | H59 | 58.7° | 60.0° |
| H35 | C39 | C40 | H60 | 178.7° | 59.9° |
| H36 | C41 | H37 | H38 | 120.0° | 119.9° |
| H39 | C43 | C44 | H40 | 55.8° | 57.7° |
| H40 | C44 | C45 | H61 | 172.7° | 177.2° |
| H40 | C44 | O49 | H76 | 60.8° | 60.1° |
| H41 | C1 | C2 | H52 | 169.4° | 177.7° |
| H42 | C12 | C13 | H44 | 175.5° | 180.0° |
| H42 | C12 | C13 | H45 | 56.3° | 60.0° |
| H43 | C12 | C13 | H44 | 64.6° | 60.0° |
| H43 | C12 | C13 | H45 | 176.1° | 180.0° |
| H44 | C13 | C14 | H46 | 173.3° | 180.0° |
| H44 | C13 | C14 | H47 | 53.4° | 60.0° |
| H45 | C13 | C14 | H46 | 67.4° | 59.9° |
| H45 | C13 | C14 | H47 | 172.7° | 180.0° |
| H46 | C14 | C15 | H48 | 159.7° | 60.1° |
| H46 | C14 | C15 | H49 | 40.3° | 180.0° |
| H47 | C14 | C15 | H48 | 80.5° | 180.0° |
| H47 | C14 | C15 | H49 | 160.1° | 60.1° |
| H52 | C2 | C3 | H54 | 177.2° | 177.2° |
| H52 | C2 | O2 | H74 | 58.6° | 60.2° |
| H54 | C3 | C4 | H57 | 173.1° | 177.2° |
| H54 | C3 | O3 | H75 | 60.1° | 60.2° |
| H57 | C4 | C5 | H66 | 177.9° | 177.7° |
| H58 | C40 | H59 | H60 | 120.0° | 120.1° |
| H61 | C45 | C46 | H62 | 170.3° | 177.1° |
| H61 | C45 | O50 | H78 | 60.8° | 60.1° |
| H62 | C46 | C47 | H63 | 171.6° | 177.7° |
| H62 | C46 | O51 | H79 | 60.5° | 60.1° |
| H63 | C47 | C48 | H64 | 154.2° | 65.0° |
| H63 | C47 | C48 | H65 | 86.0° | 175.0° |
| H64 | C48 | O53 | H80 | 59.9° | 60.0° |
| H65 | C48 | O53 | H80 | 59.9° | 59.9° |
| H66 | C5 | C6 | H67 | 69.0° | 64.1° |
| H66 | C5 | C6 | H68 | 50.9° | 175.9° |
| H67 | C6 | O5 | H77 | 60.0° | 60.0° |
| H68 | C6 | O5 | H77 | 60.0° | 60.0° |
| H69 | C7 | C8 | H71 | 153.1° | 55.0° |
| H70 | C7 | C8 | H71 | 87.1° | 64.9° |
| H71 | C8 | C9 | H72 | 68.4° | 65.0° |
| H71 | C8 | C9 | H73 | 53.5° | 55.0° |
