9YF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C43 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C41 | C40 | sing | 1.53Å | 1.52Å | |
| C40 | C39 | sing | 1.53Å | 1.52Å | |
| C39 | C38 | sing | 1.53Å | 1.52Å | |
| C38 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C35 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| O12 | C25 | doub | 1.21Å | 1.18Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.51Å | 1.52Å | |
| C25 | O11 | sing | 1.34Å | 1.39Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C24 | O11 | sing | 1.45Å | 1.39Å | |
| C24 | C | sing | 1.53Å | 1.52Å | |
| O9 | C | sing | 1.45Å | 1.40Å | |
| O9 | C8 | sing | 1.34Å | 1.40Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | O10 | doub | 1.21Å | 1.18Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C1 | O | sing | 1.43Å | 1.39Å | |
| O | P | sing | 1.61Å | 1.64Å | |
| O8 | P | doub | 1.48Å | 1.51Å | |
| O3 | C3 | sing | 1.43Å | 1.40Å | |
| P | O1 | sing | 1.61Å | 1.51Å | |
| P | O2 | sing | 1.61Å | 1.65Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| O4 | C4 | sing | 1.43Å | 1.40Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C2 | C7 | sing | 1.53Å | 1.54Å | |
| O6 | C6 | sing | 1.43Å | 1.40Å | |
| C5 | O5 | sing | 1.43Å | 1.40Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | O7 | sing | 1.43Å | 1.41Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O3 | H2 | sing | 0.97Å | 0.95Å | |
| O4 | H3 | sing | 0.97Å | 0.95Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C2 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C3 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C31 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | H53 | sing | 1.09Å | 1.10Å | |
| C33 | H54 | sing | 1.09Å | 1.10Å | |
| C34 | H55 | sing | 1.09Å | 1.10Å | |
| C34 | H56 | sing | 1.09Å | 1.10Å | |
| C34 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H58 | sing | 1.09Å | 1.10Å | |
| C35 | H59 | sing | 1.09Å | 1.10Å | |
| C36 | H60 | sing | 1.09Å | 1.10Å | |
| C36 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | H62 | sing | 1.09Å | 1.10Å | |
| C37 | H63 | sing | 1.09Å | 1.10Å | |
| C38 | H64 | sing | 1.09Å | 1.10Å | |
| C38 | H65 | sing | 1.09Å | 1.10Å | |
| C39 | H66 | sing | 1.09Å | 1.10Å | |
| C39 | H67 | sing | 1.09Å | 1.10Å | |
| C4 | H68 | sing | 1.09Å | 1.10Å | |
| C40 | H69 | sing | 1.09Å | 1.10Å | |
| C40 | H70 | sing | 1.09Å | 1.10Å | |
| C41 | H71 | sing | 1.09Å | 1.10Å | |
| C41 | H72 | sing | 1.09Å | 1.10Å | |
| C42 | H73 | sing | 1.09Å | 1.10Å | |
| C42 | H74 | sing | 1.09Å | 1.10Å | |
| C43 | H75 | sing | 1.09Å | 1.10Å | |
| C43 | H76 | sing | 1.09Å | 1.10Å | |
| C43 | H77 | sing | 1.09Å | 1.10Å | |
| C5 | H78 | sing | 1.09Å | 1.10Å | |
| C6 | H79 | sing | 1.09Å | 1.10Å | |
| C7 | H80 | sing | 1.09Å | 1.10Å | |
| C9 | H81 | sing | 1.09Å | 1.10Å | |
| C9 | H82 | sing | 1.09Å | 1.10Å | |
| O5 | H83 | sing | 0.97Å | 0.95Å | |
| O6 | H84 | sing | 0.97Å | 0.95Å | |
| O7 | H85 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C43 | C42 | C41 | 112.2° | 109.4° |
| C43 | C42 | H73 | 108.8° | 109.5° |
| C43 | C42 | H74 | 108.8° | 109.5° |
| C42 | C43 | H75 | 109.5° | 109.5° |
| C42 | C43 | H76 | 109.5° | 109.5° |
| C42 | C43 | H77 | 109.5° | 109.4° |
| C42 | C41 | C40 | 112.5° | 109.5° |
| C42 | C41 | H71 | 108.7° | 109.5° |
| C42 | C41 | H72 | 108.7° | 109.5° |
| C41 | C42 | H73 | 108.8° | 109.5° |
| C41 | C42 | H74 | 108.8° | 109.4° |
| C41 | C40 | C39 | 114.6° | 109.5° |
| C41 | C40 | H69 | 108.2° | 109.5° |
| C41 | C40 | H70 | 108.2° | 109.5° |
| C40 | C41 | H71 | 108.7° | 109.5° |
| C40 | C41 | H72 | 108.7° | 109.5° |
| C40 | C39 | C38 | 112.6° | 109.5° |
| C40 | C39 | H66 | 108.7° | 109.5° |
| C40 | C39 | H67 | 108.7° | 109.4° |
| C39 | C40 | H69 | 108.2° | 109.5° |
| C39 | C40 | H70 | 108.2° | 109.5° |
| C39 | C38 | C37 | 112.6° | 109.5° |
| C39 | C38 | H64 | 108.7° | 109.5° |
| C39 | C38 | H65 | 108.7° | 109.5° |
| C38 | C39 | H66 | 108.7° | 109.5° |
| C38 | C39 | H67 | 108.7° | 109.5° |
| C38 | C37 | C36 | 112.5° | 109.5° |
| C38 | C37 | H62 | 108.7° | 109.5° |
| C38 | C37 | H63 | 108.7° | 109.5° |
| C37 | C38 | H64 | 108.7° | 109.5° |
| C37 | C38 | H65 | 108.7° | 109.5° |
| C37 | C36 | C35 | 111.5° | 109.5° |
| C37 | C36 | H60 | 109.0° | 109.4° |
| C37 | C36 | H61 | 108.9° | 109.4° |
| C36 | C37 | H62 | 108.7° | 109.5° |
| C36 | C37 | H63 | 108.7° | 109.4° |
| C36 | C35 | C33 | 113.0° | 109.5° |
| C36 | C35 | H58 | 108.6° | 109.5° |
| C36 | C35 | H59 | 108.5° | 109.5° |
| C35 | C36 | H60 | 109.0° | 109.5° |
| C35 | C36 | H61 | 109.0° | 109.5° |
| C34 | C33 | C35 | 110.6° | 109.5° |
| C34 | C33 | C32 | 110.5° | 109.5° |
| C34 | C33 | H54 | 108.1° | 109.5° |
| C33 | C34 | H55 | 109.5° | 109.5° |
| C33 | C34 | H56 | 109.5° | 109.4° |
| C33 | C34 | H57 | 109.5° | 109.5° |
| C23 | C22 | C21 | 112.3° | 109.5° |
| C23 | C22 | H32 | 108.7° | 109.4° |
| C23 | C22 | H33 | 108.8° | 109.5° |
| C22 | C23 | H34 | 109.5° | 109.4° |
| C22 | C23 | H35 | 109.4° | 109.5° |
| C22 | C23 | H36 | 109.5° | 109.5° |
| C35 | C33 | C32 | 111.3° | 109.5° |
| C35 | C33 | H54 | 108.1° | 109.4° |
| C33 | C35 | H58 | 108.6° | 109.5° |
| C33 | C35 | H59 | 108.6° | 109.5° |
| C33 | C32 | C31 | 112.3° | 109.5° |
| C33 | C32 | H52 | 108.8° | 109.4° |
| C33 | C32 | H53 | 108.8° | 109.5° |
| C32 | C33 | H54 | 108.1° | 109.4° |
| C22 | C21 | C20 | 112.3° | 109.5° |
| C22 | C21 | H30 | 108.8° | 109.4° |
| C22 | C21 | H31 | 108.8° | 109.5° |
| C21 | C22 | H32 | 108.8° | 109.4° |
| C21 | C22 | H33 | 108.7° | 109.5° |
| C21 | C20 | C19 | 112.2° | 109.5° |
| C21 | C20 | H28 | 108.8° | 109.4° |
| C21 | C20 | H29 | 108.8° | 109.5° |
| C20 | C21 | H30 | 108.7° | 109.4° |
| C20 | C21 | H31 | 108.8° | 109.5° |
| C32 | C31 | C30 | 113.3° | 109.5° |
| C32 | C31 | H50 | 108.5° | 109.5° |
| C32 | C31 | H51 | 108.5° | 109.5° |
| C31 | C32 | H52 | 108.8° | 109.5° |
| C31 | C32 | H53 | 108.8° | 109.5° |
| C17 | C18 | C19 | 111.8° | 109.5° |
| C18 | C17 | C16 | 112.5° | 109.5° |
| C18 | C17 | H21 | 108.7° | 109.5° |
| C18 | C17 | H22 | 108.7° | 109.5° |
| C17 | C18 | H23 | 108.8° | 109.5° |
| C17 | C18 | H24 | 108.9° | 109.5° |
| C18 | C19 | C20 | 112.5° | 109.5° |
| C19 | C18 | H23 | 108.9° | 109.4° |
| C19 | C18 | H24 | 108.9° | 109.5° |
| C18 | C19 | H25 | 108.7° | 109.5° |
| C18 | C19 | H26 | 108.7° | 109.5° |
| C17 | C16 | C15 | 111.2° | 109.5° |
| C17 | C16 | H19 | 109.0° | 109.5° |
| C17 | C16 | H20 | 109.0° | 109.5° |
| C16 | C17 | H21 | 108.7° | 109.5° |
| C16 | C17 | H22 | 108.7° | 109.5° |
| C31 | C30 | C29 | 112.6° | 109.4° |
| C31 | C30 | H48 | 108.7° | 109.5° |
| C31 | C30 | H49 | 108.7° | 109.5° |
| C30 | C31 | H50 | 108.5° | 109.5° |
| C30 | C31 | H51 | 108.5° | 109.5° |
| C20 | C19 | H25 | 108.7° | 109.5° |
| C20 | C19 | H26 | 108.7° | 109.5° |
| C19 | C20 | H28 | 108.8° | 109.5° |
| C19 | C20 | H29 | 108.8° | 109.5° |
| C30 | C29 | C28 | 112.5° | 109.4° |
| C30 | C29 | H45 | 108.7° | 109.5° |
| C30 | C29 | H46 | 108.7° | 109.5° |
| C29 | C30 | H48 | 108.7° | 109.5° |
| C29 | C30 | H49 | 108.7° | 109.5° |
| C16 | C15 | C14 | 111.8° | 109.5° |
| C16 | C15 | H17 | 108.9° | 109.4° |
| C16 | C15 | H18 | 108.9° | 109.5° |
| C15 | C16 | H19 | 109.1° | 109.5° |
| C15 | C16 | H20 | 109.0° | 109.5° |
| C29 | C28 | C27 | 111.6° | 109.4° |
| C29 | C28 | H43 | 108.9° | 109.5° |
| C29 | C28 | H44 | 108.9° | 109.5° |
| C28 | C29 | H45 | 108.7° | 109.5° |
| C28 | C29 | H46 | 108.7° | 109.4° |
| C15 | C14 | C13 | 112.5° | 109.5° |
| C15 | C14 | H15 | 108.7° | 109.4° |
| C15 | C14 | H16 | 108.7° | 109.5° |
| C14 | C15 | H17 | 108.9° | 109.5° |
| C14 | C15 | H18 | 108.9° | 109.5° |
| C28 | C27 | C26 | 112.2° | 109.4° |
| C28 | C27 | H41 | 108.8° | 109.4° |
| C28 | C27 | H42 | 108.8° | 109.5° |
| C27 | C28 | H43 | 108.9° | 109.4° |
| C27 | C28 | H44 | 108.9° | 109.5° |
| C14 | C13 | C12 | 112.4° | 109.5° |
| C14 | C13 | H13 | 108.7° | 109.4° |
| C14 | C13 | H14 | 108.7° | 109.4° |
| C13 | C14 | H15 | 108.7° | 109.5° |
| C13 | C14 | H16 | 108.7° | 109.5° |
| C27 | C26 | C25 | 111.8° | 109.5° |
| C27 | C26 | H39 | 108.9° | 109.5° |
| C27 | C26 | H40 | 108.9° | 109.6° |
| C26 | C27 | H41 | 108.8° | 109.5° |
| C26 | C27 | H42 | 108.8° | 109.5° |
| O12 | C25 | C26 | 120.5° | 120.0° |
| O12 | C25 | O11 | 119.8° | 120.0° |
| C13 | C12 | C11 | 111.8° | 109.5° |
| C13 | C12 | H11 | 108.9° | 109.4° |
| C13 | C12 | H12 | 108.9° | 109.5° |
| C12 | C13 | H13 | 108.7° | 109.5° |
| C12 | C13 | H14 | 108.7° | 109.5° |
| C12 | C11 | C10 | 112.4° | 109.5° |
| C12 | C11 | H9 | 108.7° | 109.5° |
| C12 | C11 | H10 | 108.7° | 109.5° |
| C11 | C12 | H11 | 108.9° | 109.5° |
| C11 | C12 | H12 | 108.9° | 109.5° |
| C26 | C25 | O11 | 119.7° | 120.0° |
| C25 | C26 | H39 | 108.9° | 109.4° |
| C25 | C26 | H40 | 108.9° | 109.4° |
| C25 | O11 | C24 | 113.4° | 117.0° |
| C11 | C10 | C9 | 111.1° | 109.5° |
| C11 | C10 | H7 | 109.1° | 109.5° |
| C11 | C10 | H8 | 109.1° | 109.4° |
| C10 | C11 | H9 | 108.7° | 109.4° |
| C10 | C11 | H10 | 108.7° | 109.5° |
| O11 | C24 | C | 108.4° | 109.5° |
| O11 | C24 | H37 | 109.7° | 109.4° |
| O11 | C24 | H38 | 109.7° | 109.4° |
| C24 | C | O9 | 110.2° | 109.5° |
| C24 | C | C1 | 109.4° | 109.5° |
| C24 | C | H4 | 108.9° | 109.4° |
| C | C24 | H37 | 109.7° | 109.5° |
| C | C24 | H38 | 109.8° | 109.5° |
| C | O9 | C8 | 113.2° | 117.0° |
| O9 | C | C1 | 108.8° | 109.5° |
| O9 | C | H4 | 110.6° | 109.5° |
| O9 | C8 | O10 | 119.9° | 119.9° |
| O9 | C8 | C9 | 120.4° | 120.0° |
| C | C1 | O | 107.5° | 109.5° |
| C1 | C | H4 | 108.9° | 109.5° |
| C | C1 | H5 | 110.0° | 109.4° |
| C | C1 | H6 | 110.0° | 109.5° |
| C10 | C9 | C8 | 111.9° | 109.5° |
| C9 | C10 | H7 | 109.1° | 109.5° |
| C9 | C10 | H8 | 109.0° | 109.5° |
| C10 | C9 | H81 | 108.8° | 109.5° |
| C10 | C9 | H82 | 108.9° | 109.5° |
| O10 | C8 | C9 | 119.7° | 120.0° |
| C8 | C9 | H81 | 108.9° | 109.4° |
| C8 | C9 | H82 | 108.9° | 109.5° |
| C1 | O | P | 116.8° | 123.0° |
| O | C1 | H5 | 110.0° | 109.4° |
| O | C1 | H6 | 110.0° | 109.5° |
| O | P | O8 | 108.4° | 109.5° |
| O | P | O1 | 109.3° | 109.4° |
| O | P | O2 | 110.0° | 109.5° |
| O8 | P | O1 | 109.9° | 109.4° |
| O8 | P | O2 | 109.2° | 109.5° |
| O3 | C3 | C4 | 108.3° | 109.5° |
| O3 | C3 | C2 | 108.5° | 109.5° |
| C3 | O3 | H2 | 109.5° | 114.0° |
| O3 | C3 | H47 | 109.9° | 109.5° |
| O1 | P | O2 | 110.0° | 109.4° |
| P | O1 | H1 | 109.5° | 114.0° |
| P | O2 | C2 | 120.5° | 123.0° |
| C4 | C3 | C2 | 114.1° | 109.5° |
| C3 | C4 | O4 | 109.7° | 109.5° |
| C3 | C4 | C5 | 110.9° | 109.5° |
| C4 | C3 | H47 | 108.0° | 109.4° |
| C3 | C4 | H68 | 108.7° | 109.4° |
| C3 | C2 | O2 | 108.5° | 109.5° |
| C3 | C2 | C7 | 113.9° | 109.5° |
| C3 | C2 | H27 | 108.5° | 109.4° |
| C2 | C3 | H47 | 108.0° | 109.5° |
| O4 | C4 | C5 | 108.3° | 109.5° |
| C4 | O4 | H3 | 109.5° | 114.0° |
| O4 | C4 | H68 | 110.5° | 109.5° |
| C4 | C5 | O5 | 109.2° | 109.4° |
| C4 | C5 | C6 | 109.5° | 109.5° |
| C5 | C4 | H68 | 108.8° | 109.5° |
| C4 | C5 | H78 | 108.8° | 109.5° |
| O2 | C2 | C7 | 106.9° | 109.5° |
| O2 | C2 | H27 | 110.4° | 109.4° |
| C2 | C7 | O7 | 108.8° | 109.5° |
| C2 | C7 | C6 | 113.4° | 109.5° |
| C7 | C2 | H27 | 108.5° | 109.5° |
| C2 | C7 | H80 | 108.1° | 109.4° |
| O6 | C6 | C5 | 108.7° | 109.5° |
| O6 | C6 | C7 | 107.8° | 109.5° |
| O6 | C6 | H79 | 111.0° | 109.5° |
| C6 | O6 | H84 | 109.5° | 114.0° |
| O5 | C5 | C6 | 110.0° | 109.5° |
| O5 | C5 | H78 | 110.6° | 109.5° |
| C5 | O5 | H83 | 109.5° | 114.0° |
| C5 | C6 | C7 | 111.0° | 109.5° |
| C6 | C5 | H78 | 108.7° | 109.5° |
| C5 | C6 | H79 | 109.2° | 109.4° |
| O7 | C7 | C6 | 108.5° | 109.5° |
| O7 | C7 | H80 | 109.8° | 109.5° |
| C7 | O7 | H85 | 109.5° | 113.9° |
| C7 | C6 | H79 | 109.1° | 109.4° |
| C6 | C7 | H80 | 108.1° | 109.5° |
| H5 | C1 | H6 | 109.4° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.4° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H28 | C20 | H29 | 109.5° | 109.5° |
| H30 | C21 | H31 | 109.5° | 109.5° |
| H32 | C22 | H33 | 109.5° | 109.5° |
| H34 | C23 | H35 | 109.5° | 109.5° |
| H34 | C23 | H36 | 109.5° | 109.5° |
| H35 | C23 | H36 | 109.5° | 109.5° |
| H37 | C24 | H38 | 109.5° | 109.5° |
| H39 | C26 | H40 | 109.5° | 109.5° |
| H41 | C27 | H42 | 109.5° | 109.5° |
| H43 | C28 | H44 | 109.5° | 109.5° |
| H45 | C29 | H46 | 109.5° | 109.5° |
| H48 | C30 | H49 | 109.5° | 109.5° |
| H50 | C31 | H51 | 109.5° | 109.4° |
| H52 | C32 | H53 | 109.5° | 109.4° |
| H55 | C34 | H56 | 109.5° | 109.5° |
| H55 | C34 | H57 | 109.4° | 109.5° |
| H56 | C34 | H57 | 109.4° | 109.5° |
| H58 | C35 | H59 | 109.5° | 109.5° |
| H60 | C36 | H61 | 109.5° | 109.5° |
| H62 | C37 | H63 | 109.5° | 109.5° |
| H64 | C38 | H65 | 109.5° | 109.4° |
| H66 | C39 | H67 | 109.4° | 109.5° |
| H69 | C40 | H70 | 109.5° | 109.5° |
| H71 | C41 | H72 | 109.5° | 109.5° |
| H73 | C42 | H74 | 109.5° | 109.5° |
| H75 | C43 | H76 | 109.5° | 109.5° |
| H75 | C43 | H77 | 109.5° | 109.5° |
| H76 | C43 | H77 | 109.4° | 109.5° |
| H81 | C9 | H82 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C43 | C42 | C41 | H73 | 120.4° | 120.0° |
| C43 | C42 | C41 | H74 | 120.4° | 120.0° |
| C43 | C42 | C41 | C40 | 173.4° | 180.0° |
| C43 | C42 | C41 | H71 | 53.0° | 60.0° |
| C43 | C42 | C41 | H72 | 66.1° | 60.0° |
| C43 | C42 | H73 | H74 | 118.7° | 120.1° |
| C42 | C43 | H75 | H76 | 120.0° | 120.0° |
| C42 | C43 | H75 | H77 | 120.0° | 120.0° |
| C42 | C43 | H76 | H77 | 120.0° | 119.9° |
| C42 | C41 | C40 | H71 | 120.5° | 120.0° |
| C42 | C41 | C40 | H72 | 120.4° | 120.0° |
| C42 | C41 | C40 | C39 | 123.1° | 180.0° |
| C42 | C41 | C40 | H69 | 2.3° | 60.0° |
| C42 | C41 | C40 | H70 | 116.2° | 60.0° |
| C42 | C41 | H71 | H72 | 118.6° | 120.0° |
| C41 | C42 | H73 | H74 | 118.8° | 120.0° |
| C41 | C42 | C43 | H75 | 180.0° | 60.0° |
| C41 | C42 | C43 | H76 | 60.0° | 60.0° |
| C41 | C42 | C43 | H77 | 60.0° | 180.0° |
| C41 | C40 | C39 | H69 | 120.8° | 120.0° |
| C41 | C40 | C39 | H70 | 120.7° | 120.0° |
| C41 | C40 | C39 | C38 | 129.9° | 180.0° |
| C41 | C40 | C39 | H66 | 9.4° | 60.0° |
| C41 | C40 | C39 | H67 | 109.7° | 60.0° |
| C41 | C40 | H69 | H70 | 117.7° | 120.0° |
| C40 | C41 | H71 | H72 | 118.6° | 120.0° |
| C40 | C41 | C42 | H73 | 66.2° | 60.0° |
| C40 | C41 | C42 | H74 | 53.0° | 60.0° |
| C40 | C39 | C38 | H66 | 120.5° | 120.0° |
| C40 | C39 | C38 | H67 | 120.5° | 120.0° |
| C40 | C39 | C38 | C37 | 142.4° | 180.0° |
| C40 | C39 | C38 | H64 | 21.9° | 60.0° |
| C40 | C39 | C38 | H65 | 97.2° | 60.0° |
| C40 | C39 | H66 | H67 | 118.5° | 120.0° |
| C39 | C40 | H69 | H70 | 117.7° | 120.0° |
| C39 | C40 | C41 | H71 | 116.5° | 60.0° |
| C39 | C40 | C41 | H72 | 2.7° | 60.0° |
| C39 | C38 | C37 | H64 | 120.5° | 120.1° |
| C39 | C38 | C37 | H65 | 120.5° | 120.0° |
| C39 | C38 | C37 | C36 | 79.7° | 180.0° |
| C39 | C38 | C37 | H62 | 40.7° | 60.0° |
| C39 | C38 | C37 | H63 | 159.8° | 60.0° |
| C39 | C38 | H64 | H65 | 118.6° | 120.0° |
| C38 | C39 | H66 | H67 | 118.6° | 120.0° |
| C38 | C39 | C40 | H69 | 109.4° | 60.0° |
| C38 | C39 | C40 | H70 | 9.1° | 60.0° |
| C38 | C37 | C36 | H62 | 120.4° | 120.0° |
| C38 | C37 | C36 | H63 | 120.5° | 120.0° |
| C38 | C37 | C36 | C35 | 172.9° | 180.0° |
| C38 | C37 | C36 | H60 | 66.8° | 60.0° |
| C38 | C37 | C36 | H61 | 52.6° | 60.0° |
| C38 | C37 | H62 | H63 | 118.6° | 120.0° |
| C37 | C38 | H64 | H65 | 118.6° | 120.0° |
| C37 | C38 | C39 | H66 | 97.1° | 60.0° |
| C37 | C38 | C39 | H67 | 21.9° | 60.1° |
| C37 | C36 | C35 | H60 | 120.3° | 120.0° |
| C37 | C36 | C35 | H61 | 120.3° | 120.0° |
| C37 | C36 | C35 | C33 | 140.8° | 180.0° |
| C37 | C36 | C35 | H58 | 20.3° | 60.0° |
| C37 | C36 | C35 | H59 | 98.7° | 60.0° |
| C37 | C36 | H60 | H61 | 119.0° | 120.0° |
| C36 | C37 | H62 | H63 | 118.6° | 120.0° |
| C36 | C37 | C38 | H64 | 159.8° | 59.9° |
| C36 | C37 | C38 | H65 | 40.7° | 60.0° |
| C36 | C35 | C33 | C34 | 53.7° | 65.0° |
| C36 | C35 | C33 | H58 | 120.5° | 120.0° |
| C36 | C35 | C33 | H59 | 120.5° | 120.0° |
| C36 | C35 | C33 | C32 | 177.0° | 175.0° |
| C36 | C35 | C33 | H54 | 64.5° | 55.0° |
| C36 | C35 | H58 | H59 | 118.3° | 120.0° |
| C35 | C36 | H60 | H61 | 119.1° | 120.0° |
| C35 | C36 | C37 | H62 | 52.5° | 60.0° |
| C35 | C36 | C37 | H63 | 66.6° | 60.0° |
| C34 | C33 | C35 | C32 | 123.3° | 120.0° |
| C34 | C33 | C35 | H54 | 118.2° | 120.0° |
| C34 | C33 | C32 | H54 | 118.1° | 120.0° |
| C34 | C33 | C32 | C31 | 107.0° | 64.9° |
| C34 | C33 | C32 | H52 | 132.6° | 55.0° |
| C34 | C33 | C32 | H53 | 13.5° | 175.0° |
| C33 | C34 | H55 | H56 | 120.0° | 120.0° |
| C33 | C34 | H55 | H57 | 120.0° | 120.0° |
| C33 | C34 | H56 | H57 | 120.0° | 120.0° |
| C34 | C33 | C35 | H58 | 174.2° | 55.0° |
| C34 | C33 | C35 | H59 | 66.8° | 175.0° |
| C23 | C22 | C21 | H32 | 120.4° | 119.9° |
| C23 | C22 | C21 | H33 | 120.4° | 120.1° |
| C23 | C22 | C21 | C20 | 78.1° | 180.0° |
| C23 | C22 | C21 | H30 | 42.3° | 60.1° |
| C23 | C22 | C21 | H31 | 161.4° | 59.9° |
| C23 | C22 | H32 | H33 | 118.7° | 120.0° |
| C22 | C23 | H34 | H35 | 120.0° | 120.0° |
| C22 | C23 | H34 | H36 | 120.0° | 120.0° |
| C22 | C23 | H35 | H36 | 120.0° | 120.0° |
| C35 | C33 | C32 | H54 | 118.5° | 119.9° |
| C35 | C33 | C32 | C31 | 129.7° | 175.0° |
| C35 | C33 | C32 | H52 | 9.3° | 65.0° |
| C35 | C33 | C32 | H53 | 109.9° | 55.0° |
| C35 | C33 | C34 | H55 | 180.0° | 60.0° |
| C35 | C33 | C34 | H56 | 60.0° | 60.0° |
| C35 | C33 | C34 | H57 | 60.0° | 180.0° |
| C33 | C35 | H58 | H59 | 118.4° | 120.0° |
| C33 | C35 | C36 | H60 | 98.9° | 60.0° |
| C33 | C35 | C36 | H61 | 20.5° | 60.0° |
| C33 | C32 | C31 | H52 | 120.4° | 120.0° |
| C33 | C32 | C31 | H53 | 120.4° | 120.0° |
| C33 | C32 | C31 | C30 | 113.9° | 180.0° |
| C33 | C32 | C31 | H50 | 6.7° | 60.0° |
| C33 | C32 | C31 | H51 | 125.6° | 60.0° |
| C33 | C32 | H52 | H53 | 118.7° | 120.0° |
| C32 | C33 | C34 | H55 | 56.3° | 60.0° |
| C32 | C33 | C34 | H56 | 63.8° | 180.0° |
| C32 | C33 | C34 | H57 | 176.3° | 60.0° |
| C32 | C33 | C35 | H58 | 62.5° | 65.0° |
| C32 | C33 | C35 | H59 | 56.4° | 55.0° |
| C22 | C21 | C20 | H30 | 120.4° | 120.0° |
| C22 | C21 | C20 | H31 | 120.4° | 120.1° |
| C22 | C21 | C20 | C19 | 149.2° | 180.0° |
| C22 | C21 | C20 | H28 | 90.4° | 60.0° |
| C22 | C21 | C20 | H29 | 28.8° | 59.9° |
| C22 | C21 | H30 | H31 | 118.7° | 120.0° |
| C21 | C22 | H32 | H33 | 118.7° | 120.0° |
| C21 | C22 | C23 | H34 | 180.0° | 60.0° |
| C21 | C22 | C23 | H35 | 60.0° | 59.9° |
| C21 | C22 | C23 | H36 | 60.0° | 180.0° |
| C21 | C20 | C19 | C18 | 95.3° | 180.0° |
| C21 | C20 | C19 | H28 | 120.4° | 119.9° |
| C21 | C20 | C19 | H29 | 120.4° | 120.0° |
| C21 | C20 | C19 | H25 | 144.3° | 60.0° |
| C21 | C20 | C19 | H26 | 25.2° | 60.0° |
| C21 | C20 | H28 | H29 | 118.7° | 120.0° |
| C20 | C21 | H30 | H31 | 118.7° | 120.0° |
| C20 | C21 | C22 | H32 | 161.5° | 60.1° |
| C20 | C21 | C22 | H33 | 42.3° | 59.9° |
| C32 | C31 | C30 | H50 | 120.5° | 120.0° |
| C32 | C31 | C30 | H51 | 120.6° | 120.0° |
| C32 | C31 | C30 | C29 | 114.1° | 180.0° |
| C32 | C31 | C30 | H48 | 6.4° | 60.1° |
| C32 | C31 | C30 | H49 | 125.4° | 60.0° |
| C32 | C31 | H50 | H51 | 118.3° | 120.0° |
| C31 | C32 | H52 | H53 | 118.7° | 120.0° |
| C31 | C32 | C33 | H54 | 11.1° | 55.1° |
| C17 | C18 | C19 | H23 | 120.3° | 120.0° |
| C17 | C18 | C19 | H24 | 120.4° | 120.0° |
| C18 | C17 | C16 | H21 | 120.5° | 120.0° |
| C18 | C17 | C16 | H22 | 120.4° | 120.0° |
| C17 | C18 | C19 | C20 | 177.1° | 180.0° |
| C18 | C17 | C16 | C15 | 105.2° | 180.0° |
| C18 | C17 | C16 | H19 | 15.1° | 60.0° |
| C18 | C17 | C16 | H20 | 134.6° | 60.0° |
| C18 | C17 | H21 | H22 | 118.6° | 120.0° |
| C17 | C18 | H23 | H24 | 118.9° | 120.0° |
| C17 | C18 | C19 | H25 | 56.7° | 60.0° |
| C17 | C18 | C19 | H26 | 62.4° | 60.0° |
| C19 | C18 | C17 | C16 | 104.9° | 180.0° |
| C18 | C19 | C20 | H25 | 120.5° | 120.0° |
| C18 | C19 | C20 | H26 | 120.4° | 120.0° |
| C19 | C18 | C17 | H21 | 134.6° | 60.0° |
| C19 | C18 | C17 | H22 | 15.5° | 60.0° |
| C19 | C18 | H23 | H24 | 119.0° | 120.0° |
| C18 | C19 | H25 | H26 | 118.6° | 120.0° |
| C18 | C19 | C20 | H28 | 144.3° | 60.0° |
| C18 | C19 | C20 | H29 | 25.1° | 60.0° |
| C17 | C16 | C15 | H19 | 120.3° | 120.1° |
| C17 | C16 | C15 | H20 | 120.2° | 120.0° |
| C17 | C16 | C15 | C14 | 95.8° | 180.0° |
| C17 | C16 | C15 | H17 | 143.8° | 60.0° |
| C17 | C16 | C15 | H18 | 24.5° | 60.0° |
| C17 | C16 | H19 | H20 | 119.2° | 120.0° |
| C16 | C17 | H21 | H22 | 118.6° | 120.0° |
| C16 | C17 | C18 | H23 | 134.7° | 60.0° |
| C16 | C17 | C18 | H24 | 15.4° | 60.0° |
| C31 | C30 | C29 | H48 | 120.4° | 120.0° |
| C31 | C30 | C29 | H49 | 120.5° | 120.0° |
| C31 | C30 | C29 | C28 | 50.2° | 180.0° |
| C31 | C30 | C29 | H45 | 70.3° | 60.0° |
| C31 | C30 | C29 | H46 | 170.6° | 60.1° |
| C31 | C30 | H48 | H49 | 118.6° | 120.0° |
| C30 | C31 | H50 | H51 | 118.3° | 120.0° |
| C30 | C31 | C32 | H52 | 125.7° | 60.0° |
| C30 | C31 | C32 | H53 | 6.6° | 60.0° |
| C20 | C19 | C18 | H23 | 62.6° | 60.0° |
| C20 | C19 | C18 | H24 | 56.7° | 60.0° |
| C20 | C19 | H25 | H26 | 118.6° | 120.0° |
| C19 | C20 | H28 | H29 | 118.7° | 120.0° |
| C19 | C20 | C21 | H30 | 28.8° | 60.0° |
| C19 | C20 | C21 | H31 | 90.4° | 60.0° |
| C30 | C29 | C28 | H45 | 120.5° | 120.0° |
| C30 | C29 | C28 | H46 | 120.4° | 119.9° |
| C30 | C29 | C28 | C27 | 127.0° | 180.0° |
| C30 | C29 | C28 | H43 | 112.6° | 60.0° |
| C30 | C29 | C28 | H44 | 6.7° | 60.0° |
| C30 | C29 | H45 | H46 | 118.6° | 120.0° |
| C29 | C30 | H48 | H49 | 118.6° | 120.0° |
| C29 | C30 | C31 | H50 | 125.4° | 60.0° |
| C29 | C30 | C31 | H51 | 6.5° | 60.0° |
| C16 | C15 | C14 | H17 | 120.4° | 119.9° |
| C16 | C15 | C14 | H18 | 120.3° | 120.0° |
| C16 | C15 | C14 | C13 | 123.2° | 180.0° |
| C16 | C15 | C14 | H15 | 116.3° | 60.0° |
| C16 | C15 | C14 | H16 | 2.8° | 60.0° |
| C16 | C15 | H17 | H18 | 118.9° | 120.0° |
| C15 | C16 | H19 | H20 | 119.2° | 120.0° |
| C15 | C16 | C17 | H21 | 134.4° | 60.0° |
| C15 | C16 | C17 | H22 | 15.3° | 60.0° |
| C29 | C28 | C27 | H43 | 120.3° | 120.0° |
| C29 | C28 | C27 | H44 | 120.3° | 120.0° |
| C29 | C28 | C27 | C26 | 178.5° | 180.0° |
| C29 | C28 | C27 | H41 | 61.1° | 60.0° |
| C29 | C28 | C27 | H42 | 58.1° | 60.0° |
| C29 | C28 | H43 | H44 | 119.0° | 120.0° |
| C28 | C29 | H45 | H46 | 118.6° | 120.0° |
| C28 | C29 | C30 | H48 | 170.6° | 60.0° |
| C28 | C29 | C30 | H49 | 70.3° | 60.0° |
| C15 | C14 | C13 | H15 | 120.5° | 120.0° |
| C15 | C14 | C13 | H16 | 120.4° | 120.0° |
| C15 | C14 | C13 | C12 | 60.0° | 180.0° |
| C15 | C14 | C13 | H13 | 60.5° | 60.0° |
| C15 | C14 | C13 | H14 | 179.6° | 60.0° |
| C15 | C14 | H15 | H16 | 118.6° | 120.0° |
| C14 | C15 | H17 | H18 | 118.9° | 120.0° |
| C14 | C15 | C16 | H19 | 24.4° | 60.0° |
| C14 | C15 | C16 | H20 | 143.9° | 60.0° |
| C28 | C27 | C26 | H41 | 120.4° | 119.9° |
| C28 | C27 | C26 | H42 | 120.4° | 120.0° |
| C28 | C27 | C26 | C25 | 122.0° | 180.0° |
| C28 | C27 | C26 | H39 | 117.6° | 60.1° |
| C28 | C27 | C26 | H40 | 1.7° | 60.0° |
| C28 | C27 | H41 | H42 | 118.8° | 120.0° |
| C27 | C28 | H43 | H44 | 119.0° | 120.0° |
| C27 | C28 | C29 | H45 | 6.6° | 60.0° |
| C27 | C28 | C29 | H46 | 112.5° | 60.0° |
| C14 | C13 | C12 | H13 | 120.5° | 119.9° |
| C14 | C13 | C12 | H14 | 120.4° | 120.0° |
| C14 | C13 | C12 | C11 | 119.9° | 180.0° |
| C14 | C13 | C12 | H11 | 119.8° | 60.0° |
| C14 | C13 | C12 | H12 | 0.5° | 60.0° |
| C14 | C13 | H13 | H14 | 118.7° | 120.0° |
| C13 | C14 | H15 | H16 | 118.7° | 120.0° |
| C13 | C14 | C15 | H17 | 2.9° | 60.1° |
| C13 | C14 | C15 | H18 | 116.4° | 60.0° |
| C27 | C26 | C25 | O12 | 81.0° | 0.1° |
| C27 | C26 | C25 | H39 | 120.3° | 120.0° |
| C27 | C26 | C25 | H40 | 120.4° | 120.1° |
| C27 | C26 | C25 | O11 | 98.8° | 180.0° |
| C27 | C26 | H39 | H40 | 118.9° | 120.1° |
| C26 | C27 | H41 | H42 | 118.8° | 120.1° |
| C26 | C27 | C28 | H43 | 58.1° | 60.1° |
| C26 | C27 | C28 | H44 | 61.2° | 60.0° |
| O12 | C25 | C26 | O11 | 179.8° | 180.0° |
| O12 | C25 | O11 | C24 | 72.9° | 0.0° |
| O12 | C25 | C26 | H39 | 158.6° | 120.0° |
| O12 | C25 | C26 | H40 | 39.4° | 120.0° |
| C13 | C12 | C11 | H11 | 120.3° | 120.0° |
| C13 | C12 | C11 | H12 | 120.3° | 120.0° |
| C13 | C12 | C11 | C10 | 104.5° | 180.0° |
| C13 | C12 | C11 | H9 | 135.0° | 60.0° |
| C13 | C12 | C11 | H10 | 15.9° | 60.0° |
| C13 | C12 | H11 | H12 | 118.9° | 120.0° |
| C12 | C13 | H13 | H14 | 118.6° | 120.1° |
| C12 | C13 | C14 | H15 | 179.6° | 60.0° |
| C12 | C13 | C14 | H16 | 60.4° | 60.0° |
| C12 | C11 | C10 | H9 | 120.4° | 120.0° |
| C12 | C11 | C10 | H10 | 120.4° | 120.0° |
| C12 | C11 | C10 | C9 | 160.0° | 180.0° |
| C12 | C11 | C10 | H7 | 39.8° | 60.0° |
| C12 | C11 | C10 | H8 | 79.7° | 60.0° |
| C12 | C11 | H9 | H10 | 118.7° | 120.0° |
| C11 | C12 | H11 | H12 | 118.9° | 120.0° |
| C11 | C12 | C13 | H13 | 0.6° | 60.1° |
| C11 | C12 | C13 | H14 | 119.7° | 60.0° |
| C26 | C25 | O11 | C24 | 106.9° | 180.0° |
| C25 | C26 | H39 | H40 | 118.9° | 119.9° |
| C25 | C26 | C27 | H41 | 1.6° | 60.1° |
| C25 | C26 | C27 | H42 | 117.6° | 60.0° |
| C25 | O11 | C24 | C | 136.7° | 180.0° |
| C25 | O11 | C24 | H37 | 103.5° | 60.0° |
| C25 | O11 | C24 | H38 | 16.8° | 60.0° |
| O11 | C25 | C26 | H39 | 21.5° | 60.0° |
| O11 | C25 | C26 | H40 | 140.8° | 60.0° |
| C11 | C10 | C9 | H7 | 120.2° | 120.0° |
| C11 | C10 | C9 | H8 | 120.3° | 119.9° |
| C11 | C10 | C9 | C8 | 72.5° | 180.0° |
| C11 | C10 | H7 | H8 | 119.3° | 119.9° |
| C10 | C11 | H9 | H10 | 118.7° | 120.0° |
| C10 | C11 | C12 | H11 | 15.8° | 60.0° |
| C10 | C11 | C12 | H12 | 135.1° | 60.0° |
| C11 | C10 | C9 | H81 | 47.8° | 60.0° |
| C11 | C10 | C9 | H82 | 167.1° | 60.0° |
| O11 | C24 | C | H37 | 119.8° | 120.0° |
| O11 | C24 | C | H38 | 119.8° | 120.0° |
| O11 | C24 | C | O9 | 166.2° | 65.0° |
| O11 | C24 | C | C1 | 46.7° | 55.0° |
| O11 | C24 | C | H4 | 72.2° | 175.0° |
| O11 | C24 | H37 | H38 | 120.4° | 119.9° |
| C24 | C | O9 | C1 | 120.0° | 120.0° |
| C24 | C | O9 | H4 | 120.5° | 120.0° |
| C24 | C | O9 | C8 | 128.9° | 150.0° |
| C24 | C | C1 | H4 | 118.9° | 120.0° |
| C24 | C | C1 | O | 145.6° | 55.0° |
| C24 | C | C1 | H5 | 94.7° | 65.0° |
| C24 | C | C1 | H6 | 25.9° | 175.0° |
| C | C24 | H37 | H38 | 120.5° | 120.1° |
| O9 | C | C1 | H4 | 120.6° | 120.0° |
| C | O9 | C8 | O10 | 76.3° | 0.1° |
| C | O9 | C8 | C9 | 103.6° | 180.0° |
| O9 | C | C1 | O | 93.9° | 65.1° |
| O9 | C | C1 | H5 | 25.8° | 175.0° |
| O9 | C | C1 | H6 | 146.4° | 55.0° |
| O9 | C | C24 | H37 | 73.9° | 55.0° |
| O9 | C | C24 | H38 | 46.4° | 175.0° |
| C8 | O9 | C | C1 | 111.1° | 90.0° |
| O9 | C8 | C9 | C10 | 20.3° | 180.0° |
| O9 | C8 | O10 | C9 | 179.9° | 179.9° |
| C8 | O9 | C | H4 | 8.4° | 30.1° |
| O9 | C8 | C9 | H81 | 140.6° | 60.0° |
| O9 | C8 | C9 | H82 | 100.1° | 59.9° |
| C | C1 | O | H5 | 119.7° | 119.9° |
| C | C1 | O | H6 | 119.7° | 120.0° |
| C | C1 | O | P | 127.3° | 180.0° |
| C | C1 | H5 | H6 | 120.9° | 120.0° |
| C1 | C | C24 | H37 | 166.5° | 174.9° |
| C1 | C | C24 | H38 | 73.2° | 65.0° |
| C10 | C9 | C8 | O10 | 159.8° | 0.1° |
| C10 | C9 | C8 | H81 | 120.3° | 120.0° |
| C10 | C9 | C8 | H82 | 120.4° | 120.0° |
| C9 | C10 | H7 | H8 | 119.2° | 120.0° |
| C9 | C10 | C11 | H9 | 79.5° | 60.0° |
| C9 | C10 | C11 | H10 | 39.6° | 60.0° |
| C10 | C9 | H81 | H82 | 118.9° | 120.0° |
| O10 | C8 | C9 | H81 | 39.5° | 120.1° |
| O10 | C8 | C9 | H82 | 79.8° | 120.0° |
| C8 | C9 | C10 | H7 | 167.2° | 60.0° |
| C8 | C9 | C10 | H8 | 47.7° | 60.0° |
| C8 | C9 | H81 | H82 | 118.9° | 120.0° |
| C1 | O | P | O8 | 5.4° | 54.9° |
| C1 | O | P | O1 | 125.2° | 65.1° |
| C1 | O | P | O2 | 114.0° | 175.0° |
| O | C1 | C | H4 | 26.7° | 174.9° |
| O | C1 | H5 | H6 | 120.9° | 120.0° |
| O | P | O8 | O1 | 119.4° | 120.0° |
| O | P | O8 | O2 | 119.8° | 120.1° |
| O | P | O1 | O2 | 120.9° | 120.0° |
| O | P | O2 | C2 | 37.4° | 175.0° |
| O | P | O1 | H1 | 118.8° | 59.9° |
| P | O | C1 | H5 | 113.0° | 60.1° |
| P | O | C1 | H6 | 7.6° | 59.9° |
| O8 | P | O1 | O2 | 120.3° | 120.0° |
| O8 | P | O2 | C2 | 81.5° | 54.9° |
| O8 | P | O1 | H1 | 0.0° | 179.9° |
| O3 | C3 | C4 | C2 | 121.0° | 120.0° |
| O3 | C3 | C4 | H47 | 118.9° | 120.0° |
| O3 | C3 | C2 | H47 | 119.1° | 120.1° |
| O3 | C3 | C4 | O4 | 68.3° | 60.0° |
| O3 | C3 | C4 | C5 | 172.2° | 180.0° |
| O3 | C3 | C2 | O2 | 77.7° | 60.0° |
| O3 | C3 | C2 | C7 | 163.4° | 180.0° |
| O3 | C3 | C2 | H27 | 42.4° | 60.0° |
| O3 | C3 | C4 | H68 | 52.6° | 60.0° |
| O1 | P | O2 | C2 | 157.8° | 65.0° |
| P | O2 | C2 | C3 | 87.2° | 120.0° |
| P | O2 | C2 | C7 | 149.6° | 119.9° |
| O2 | P | O1 | H1 | 120.3° | 60.1° |
| P | O2 | C2 | H27 | 31.7° | 0.1° |
| C4 | C3 | C2 | H47 | 120.1° | 119.9° |
| C3 | C4 | O4 | C5 | 121.2° | 120.0° |
| C3 | C4 | O4 | H68 | 119.8° | 119.9° |
| C3 | C4 | C5 | H68 | 119.5° | 120.0° |
| C4 | C3 | C2 | O2 | 161.5° | 180.0° |
| C4 | C3 | C2 | C7 | 42.5° | 59.9° |
| C3 | C4 | C5 | O5 | 179.4° | 180.0° |
| C3 | C4 | C5 | C6 | 60.1° | 60.0° |
| C4 | C3 | O3 | H2 | 178.8° | 60.0° |
| C3 | C4 | O4 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H27 | 78.5° | 60.1° |
| C3 | C4 | C5 | H78 | 58.6° | 60.0° |
| C2 | C3 | C4 | O4 | 170.8° | 180.0° |
| C2 | C3 | C4 | C5 | 51.2° | 60.0° |
| C3 | C2 | O2 | C7 | 123.3° | 120.1° |
| C3 | C2 | O2 | H27 | 118.9° | 119.9° |
| C3 | C2 | C7 | H27 | 121.0° | 120.0° |
| C3 | C2 | C7 | O7 | 164.1° | 180.0° |
| C3 | C2 | C7 | C6 | 43.2° | 60.0° |
| C2 | C3 | O3 | H2 | 54.5° | 180.0° |
| C2 | C3 | C4 | H68 | 68.4° | 60.0° |
| C3 | C2 | C7 | H80 | 76.7° | 60.0° |
| O4 | C4 | C5 | H68 | 120.1° | 120.0° |
| O4 | C4 | C5 | O5 | 59.0° | 60.0° |
| O4 | C4 | C5 | C6 | 179.5° | 180.0° |
| O4 | C4 | C3 | H47 | 50.7° | 60.0° |
| O4 | C4 | C5 | H78 | 61.8° | 60.0° |
| C4 | C5 | C6 | O6 | 57.3° | 60.0° |
| C4 | C5 | O5 | C6 | 120.2° | 120.0° |
| C4 | C5 | O5 | H78 | 119.7° | 120.0° |
| C4 | C5 | C6 | H78 | 118.7° | 120.0° |
| C4 | C5 | C6 | C7 | 61.1° | 60.0° |
| C5 | C4 | O4 | H3 | 58.8° | 60.0° |
| C5 | C4 | C3 | H47 | 68.9° | 60.0° |
| C4 | C5 | C6 | H79 | 178.6° | 180.0° |
| C4 | C5 | O5 | H83 | 180.0° | 180.0° |
| O2 | C2 | C7 | H27 | 119.1° | 120.0° |
| O2 | C2 | C7 | O7 | 76.0° | 59.9° |
| O2 | C2 | C7 | C6 | 163.1° | 180.0° |
| O2 | C2 | C3 | H47 | 41.4° | 60.1° |
| O2 | C2 | C7 | H80 | 43.2° | 60.0° |
| C2 | C7 | C6 | O6 | 66.2° | 60.1° |
| C2 | C7 | C6 | C5 | 52.8° | 60.0° |
| C2 | C7 | O7 | C6 | 123.9° | 120.0° |
| C2 | C7 | O7 | H80 | 118.1° | 119.9° |
| C2 | C7 | C6 | H80 | 119.8° | 119.9° |
| C7 | C2 | C3 | H47 | 77.6° | 60.0° |
| C2 | C7 | C6 | H79 | 173.1° | 179.9° |
| C2 | C7 | O7 | H85 | 180.0° | 180.0° |
| O6 | C6 | C5 | O5 | 62.7° | 60.0° |
| O6 | C6 | C5 | C7 | 118.4° | 120.0° |
| O6 | C6 | C5 | H79 | 121.3° | 120.0° |
| O6 | C6 | C7 | O7 | 54.9° | 60.0° |
| O6 | C6 | C7 | H79 | 120.7° | 120.0° |
| O6 | C6 | C5 | H78 | 176.0° | 180.0° |
| O6 | C6 | C7 | H80 | 174.0° | 180.0° |
| O5 | C5 | C6 | H78 | 121.2° | 120.0° |
| O5 | C5 | C6 | C7 | 178.8° | 180.0° |
| O5 | C5 | C4 | H68 | 61.1° | 60.0° |
| O5 | C5 | C6 | H79 | 58.5° | 60.1° |
| C5 | C6 | C7 | O7 | 173.8° | 180.0° |
| C5 | C6 | C7 | H79 | 120.3° | 120.0° |
| C6 | C5 | C4 | H68 | 59.4° | 60.0° |
| C5 | C6 | C7 | H80 | 67.1° | 60.0° |
| C6 | C5 | O5 | H83 | 59.8° | 60.0° |
| C5 | C6 | O6 | H84 | 180.0° | 59.9° |
| O7 | C7 | C6 | H80 | 119.1° | 120.0° |
| O7 | C7 | C2 | H27 | 43.1° | 60.0° |
| O7 | C7 | C6 | H79 | 65.9° | 60.0° |
| C6 | C7 | C2 | H27 | 77.8° | 60.0° |
| C7 | C6 | C5 | H78 | 57.6° | 60.0° |
| C7 | C6 | O6 | H84 | 59.6° | 180.0° |
| C6 | C7 | O7 | H85 | 56.1° | 60.0° |
| H2 | O3 | C3 | H47 | 63.4° | 60.0° |
| H3 | O4 | C4 | H68 | 60.2° | 60.1° |
| H4 | C | C1 | H5 | 146.4° | 55.0° |
| H4 | C | C1 | H6 | 93.0° | 65.0° |
| H4 | C | C24 | H37 | 47.6° | 65.0° |
| H4 | C | C24 | H38 | 167.9° | 55.0° |
| H7 | C10 | C11 | H9 | 160.2° | 60.0° |
| H7 | C10 | C11 | H10 | 80.6° | 180.0° |
| H7 | C10 | C9 | H81 | 72.4° | NaN° |
| H7 | C10 | C9 | H82 | 46.8° | 60.0° |
| H8 | C10 | C11 | H9 | 40.7° | 180.0° |
| H8 | C10 | C11 | H10 | 159.8° | 60.0° |
| H8 | C10 | C9 | H81 | 168.1° | 60.0° |
| H8 | C10 | C9 | H82 | 72.7° | 179.9° |
| H9 | C11 | C12 | H11 | 104.6° | 180.0° |
| H9 | C11 | C12 | H12 | 14.7° | 60.0° |
| H10 | C11 | C12 | H11 | 136.2° | 60.0° |
| H10 | C11 | C12 | H12 | 104.4° | NaN° |
| H11 | C12 | C13 | H13 | 119.8° | 180.0° |
| H11 | C12 | C13 | H14 | 0.7° | 60.0° |
| H12 | C12 | C13 | H13 | 120.9° | 60.0° |
| H12 | C12 | C13 | H14 | 120.0° | 180.0° |
| H13 | C13 | C14 | H15 | 60.0° | 180.0° |
| H13 | C13 | C14 | H16 | 179.1° | 60.0° |
| H14 | C13 | C14 | H15 | 59.1° | 60.0° |
| H14 | C13 | C14 | H16 | 60.0° | 180.0° |
| H15 | C14 | C15 | H17 | 123.3° | 180.0° |
| H15 | C14 | C15 | H18 | 4.0° | 60.0° |
| H16 | C14 | C15 | H17 | 117.6° | 60.0° |
| H16 | C14 | C15 | H18 | 123.1° | 180.0° |
| H17 | C15 | C16 | H19 | 95.9° | 180.0° |
| H17 | C15 | C16 | H20 | 23.6° | 60.0° |
| H18 | C15 | C16 | H19 | 144.8° | 60.0° |
| H18 | C15 | C16 | H20 | 95.7° | 180.0° |
| H19 | C16 | C17 | H21 | 105.3° | 180.0° |
| H19 | C16 | C17 | H22 | 135.6° | 60.0° |
| H20 | C16 | C17 | H21 | 14.1° | 60.0° |
| H20 | C16 | C17 | H22 | 105.0° | 180.0° |
| H21 | C17 | C18 | H23 | 14.3° | 180.0° |
| H21 | C17 | C18 | H24 | 105.0° | 60.0° |
| H22 | C17 | C18 | H23 | 104.9° | 60.0° |
| H22 | C17 | C18 | H24 | 135.9° | NaN° |
| H23 | C18 | C19 | H25 | 177.0° | 180.0° |
| H23 | C18 | C19 | H26 | 57.9° | 60.0° |
| H24 | C18 | C19 | H25 | 63.7° | 60.0° |
| H24 | C18 | C19 | H26 | 177.2° | 180.0° |
| H25 | C19 | C20 | H28 | 23.9° | 180.0° |
| H25 | C19 | C20 | H29 | 95.3° | 60.0° |
| H26 | C19 | C20 | H28 | 95.2° | 60.0° |
| H26 | C19 | C20 | H29 | 145.6° | 180.0° |
| H27 | C2 | C3 | H47 | 161.4° | 180.0° |
| H27 | C2 | C7 | H80 | 162.3° | 180.0° |
| H28 | C20 | C21 | H30 | 149.2° | NaN° |
| H28 | C20 | C21 | H31 | 30.0° | 60.0° |
| H29 | C20 | C21 | H30 | 91.6° | 60.0° |
| H29 | C20 | C21 | H31 | 149.2° | 180.0° |
| H30 | C21 | C22 | H32 | 78.2° | NaN° |
| H30 | C21 | C22 | H33 | 162.7° | 60.0° |
| H31 | C21 | C22 | H32 | 41.0° | 60.0° |
| H31 | C21 | C22 | H33 | 78.1° | 180.0° |
| H32 | C22 | C23 | H34 | 59.6° | 180.0° |
| H32 | C22 | C23 | H35 | 60.4° | 60.0° |
| H32 | C22 | C23 | H36 | 179.6° | 60.0° |
| H33 | C22 | C23 | H34 | 59.6° | 60.0° |
| H33 | C22 | C23 | H35 | 179.6° | 180.0° |
| H33 | C22 | C23 | H36 | 60.4° | 60.0° |
| H34 | C23 | H35 | H36 | 120.0° | 120.0° |
| H39 | C26 | C27 | H41 | 122.0° | 180.0° |
| H39 | C26 | C27 | H42 | 2.8° | 60.0° |
| H40 | C26 | C27 | H41 | 118.8° | 59.9° |
| H40 | C26 | C27 | H42 | 122.1° | 180.0° |
| H41 | C27 | C28 | H43 | 178.5° | 180.0° |
| H41 | C27 | C28 | H44 | 59.2° | 60.0° |
| H42 | C27 | C28 | H43 | 62.3° | 60.0° |
| H42 | C27 | C28 | H44 | 178.4° | 180.0° |
| H43 | C28 | C29 | H45 | 126.9° | 180.0° |
| H43 | C28 | C29 | H46 | 7.8° | 59.9° |
| H44 | C28 | C29 | H45 | 113.8° | 60.0° |
| H44 | C28 | C29 | H46 | 127.2° | 180.0° |
| H45 | C29 | C30 | H48 | 50.1° | 180.0° |
| H45 | C29 | C30 | H49 | 169.2° | 60.0° |
| H46 | C29 | C30 | H48 | 69.0° | 59.9° |
| H46 | C29 | C30 | H49 | 50.1° | 180.0° |
| H47 | C3 | C4 | H68 | 171.6° | 180.0° |
| H48 | C30 | C31 | H50 | 114.2° | 180.0° |
| H48 | C30 | C31 | H51 | 126.9° | 60.0° |
| H49 | C30 | C31 | H50 | 4.9° | 60.0° |
| H49 | C30 | C31 | H51 | 114.0° | 180.0° |
| H50 | C31 | C32 | H52 | 113.7° | 180.0° |
| H50 | C31 | C32 | H53 | 127.1° | 60.0° |
| H51 | C31 | C32 | H52 | 5.2° | 60.0° |
| H51 | C31 | C32 | H53 | 114.0° | NaN° |
| H52 | C32 | C33 | H54 | 109.3° | 175.1° |
| H53 | C32 | C33 | H54 | 131.6° | 65.0° |
| H54 | C33 | C34 | H55 | 61.8° | 180.0° |
| H54 | C33 | C34 | H56 | 178.2° | 60.0° |
| H54 | C33 | C34 | H57 | 58.2° | 60.0° |
| H54 | C33 | C35 | H58 | 56.0° | 175.0° |
| H54 | C33 | C35 | H59 | 175.0° | 65.0° |
| H55 | C34 | H56 | H57 | 119.9° | 120.1° |
| H58 | C35 | C36 | H60 | 140.6° | 179.9° |
| H58 | C35 | C36 | H61 | 100.0° | 60.0° |
| H59 | C35 | C36 | H60 | 21.6° | 59.9° |
| H59 | C35 | C36 | H61 | 141.0° | 180.0° |
| H60 | C36 | C37 | H62 | 172.8° | 180.0° |
| H60 | C36 | C37 | H63 | 53.7° | 60.0° |
| H61 | C36 | C37 | H62 | 67.8° | 60.0° |
| H61 | C36 | C37 | H63 | 173.1° | 180.0° |
| H62 | C37 | C38 | H64 | 79.7° | 179.9° |
| H62 | C37 | C38 | H65 | 161.2° | 60.0° |
| H63 | C37 | C38 | H64 | 39.4° | 60.0° |
| H63 | C37 | C38 | H65 | 79.7° | 180.0° |
| H64 | C38 | C39 | H66 | 142.4° | 180.0° |
| H64 | C38 | C39 | H67 | 98.5° | 60.0° |
| H65 | C38 | C39 | H66 | 23.3° | 60.0° |
| H65 | C38 | C39 | H67 | 142.4° | 180.0° |
| H66 | C39 | C40 | H69 | 130.1° | 180.0° |
| H66 | C39 | C40 | H70 | 111.4° | 60.0° |
| H67 | C39 | C40 | H69 | 11.1° | 60.0° |
| H67 | C39 | C40 | H70 | 129.6° | 180.0° |
| H68 | C4 | C5 | H78 | 178.1° | 180.0° |
| H69 | C40 | C41 | H71 | 122.8° | 180.0° |
| H69 | C40 | C41 | H72 | 118.1° | 60.0° |
| H70 | C40 | C41 | H71 | 4.3° | 60.0° |
| H70 | C40 | C41 | H72 | 123.4° | 180.0° |
| H71 | C41 | C42 | H73 | 173.4° | 180.0° |
| H71 | C41 | C42 | H74 | 67.5° | 60.0° |
| H72 | C41 | C42 | H73 | 54.2° | 60.0° |
| H72 | C41 | C42 | H74 | 173.4° | 180.0° |
| H73 | C42 | C43 | H75 | 59.6° | 179.9° |
| H73 | C42 | C43 | H76 | 60.4° | 59.9° |
| H73 | C42 | C43 | H77 | 179.6° | 60.0° |
| H74 | C42 | C43 | H75 | 59.6° | 60.0° |
| H74 | C42 | C43 | H76 | 179.6° | 180.0° |
| H74 | C42 | C43 | H77 | 60.5° | 60.1° |
| H75 | C43 | H76 | H77 | 120.0° | 120.1° |
| H78 | C5 | C6 | H79 | 62.7° | 60.0° |
| H78 | C5 | O5 | H83 | 60.3° | 60.0° |
| H79 | C6 | C7 | H80 | 53.2° | 60.0° |
| H79 | C6 | O6 | H84 | 59.9° | 60.1° |
| H80 | C7 | O7 | H85 | 61.9° | 60.0° |
