2Y5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | doub | 1.31Å | 1.53Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C18 | C17 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | doub | 1.31Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.51Å | 1.53Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| O17 | C10 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | doub | 1.31Å | 1.53Å | |
| C23 | C22 | sing | 1.51Å | 1.53Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C12 | C10 | sing | 1.51Å | 1.52Å | |
| C25 | C24 | doub | 1.31Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C10 | O16 | sing | 1.34Å | 1.36Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | C41 | sing | 1.53Å | 1.53Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | C11 | sing | 1.51Å | 1.53Å | |
| O16 | C8 | sing | 1.45Å | 1.42Å | |
| O18 | C11 | sing | 1.34Å | 1.36Å | |
| O18 | C9 | sing | 1.45Å | 1.43Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C11 | O19 | doub | 1.21Å | 1.23Å | |
| C47 | C46 | sing | 1.53Å | 1.54Å | |
| C7 | O13 | sing | 1.43Å | 1.42Å | |
| O13 | P1 | sing | 1.61Å | 1.60Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| O43 | P4 | doub | 1.48Å | 1.47Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C1 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| P1 | O1 | sing | 1.61Å | 1.62Å | |
| P1 | O11 | doub | 1.48Å | 1.48Å | |
| P1 | O12 | sing | 1.61Å | 1.47Å | |
| O1 | C1 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| P4 | O42 | sing | 1.61Å | 1.47Å | |
| P4 | O4 | sing | 1.61Å | 1.59Å | |
| P4 | O41 | sing | 1.61Å | 1.48Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| O5 | H8 | sing | 0.97Å | 0.95Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| O6 | H10 | sing | 0.97Å | 0.95Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| O12 | H18 | sing | 0.97Å | 0.95Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.08Å | 1.08Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.08Å | 1.08Å | |
| C19 | H31 | sing | 1.08Å | 1.08Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.08Å | 1.08Å | |
| C22 | H37 | sing | 1.08Å | 1.08Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.08Å | 1.08Å | |
| C25 | H43 | sing | 1.08Å | 1.08Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C28 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| C30 | H55 | sing | 1.09Å | 1.10Å | |
| C31 | H56 | sing | 1.09Å | 1.10Å | |
| C31 | H57 | sing | 1.09Å | 1.10Å | |
| C32 | H58 | sing | 1.09Å | 1.10Å | |
| C32 | H59 | sing | 1.09Å | 1.10Å | |
| C33 | H60 | sing | 1.09Å | 1.10Å | |
| C33 | H61 | sing | 1.09Å | 1.10Å | |
| C34 | H62 | sing | 1.09Å | 1.10Å | |
| C34 | H63 | sing | 1.09Å | 1.10Å | |
| C35 | H64 | sing | 1.09Å | 1.10Å | |
| C35 | H65 | sing | 1.09Å | 1.10Å | |
| C36 | H66 | sing | 1.09Å | 1.10Å | |
| C36 | H67 | sing | 1.09Å | 1.10Å | |
| C37 | H68 | sing | 1.09Å | 1.10Å | |
| C37 | H69 | sing | 1.09Å | 1.10Å | |
| C38 | H70 | sing | 1.09Å | 1.10Å | |
| C38 | H71 | sing | 1.09Å | 1.10Å | |
| C39 | H72 | sing | 1.09Å | 1.10Å | |
| C39 | H73 | sing | 1.09Å | 1.10Å | |
| C40 | H74 | sing | 1.09Å | 1.10Å | |
| C40 | H75 | sing | 1.09Å | 1.10Å | |
| C41 | H76 | sing | 1.09Å | 1.10Å | |
| C41 | H77 | sing | 1.09Å | 1.10Å | |
| O41 | H78 | sing | 0.97Å | 0.95Å | |
| C42 | H79 | sing | 1.09Å | 1.10Å | |
| C42 | H80 | sing | 1.09Å | 1.10Å | |
| O42 | H81 | sing | 0.97Å | 0.95Å | |
| C43 | H82 | sing | 1.09Å | 1.10Å | |
| C43 | H83 | sing | 1.09Å | 1.10Å | |
| C44 | H84 | sing | 1.09Å | 1.10Å | |
| C44 | H85 | sing | 1.09Å | 1.10Å | |
| C45 | H86 | sing | 1.09Å | 1.10Å | |
| C45 | H87 | sing | 1.09Å | 1.10Å | |
| C46 | H88 | sing | 1.09Å | 1.10Å | |
| C46 | H89 | sing | 1.09Å | 1.10Å | |
| C47 | H90 | sing | 1.09Å | 1.10Å | |
| C47 | H91 | sing | 1.09Å | 1.10Å | |
| C47 | H92 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 109.0° | 120.0° |
| C16 | C15 | C14 | 109.6° | 120.0° |
| C16 | C15 | H23 | 125.2° | 120.0° |
| C15 | C16 | H25 | 125.5° | 120.0° |
| C16 | C17 | C18 | 109.8° | 109.5° |
| C17 | C16 | H25 | 125.5° | 120.0° |
| C16 | C17 | H27 | 109.4° | 109.5° |
| C16 | C17 | H28 | 109.4° | 109.5° |
| C30 | C29 | C28 | 109.7° | 109.4° |
| C30 | C29 | H51 | 109.4° | 109.5° |
| C30 | C29 | H52 | 109.4° | 109.5° |
| C29 | C30 | H53 | 109.5° | 109.4° |
| C29 | C30 | H54 | 109.4° | 109.5° |
| C29 | C30 | H55 | 109.5° | 109.5° |
| C15 | C14 | C13 | 109.0° | 109.4° |
| C15 | C14 | H21 | 109.6° | 109.4° |
| C15 | C14 | H22 | 109.6° | 109.4° |
| C14 | C15 | H23 | 125.2° | 120.0° |
| C17 | C18 | C19 | 109.5° | 120.0° |
| C18 | C17 | H27 | 109.4° | 109.5° |
| C18 | C17 | H28 | 109.4° | 109.5° |
| C17 | C18 | H29 | 125.2° | 120.0° |
| C18 | C19 | C20 | 109.7° | 120.0° |
| C19 | C18 | H29 | 125.2° | 120.0° |
| C18 | C19 | H31 | 125.2° | 120.0° |
| C29 | C28 | C27 | 109.6° | 109.4° |
| C29 | C28 | H49 | 109.4° | 109.4° |
| C29 | C28 | H50 | 109.4° | 109.5° |
| C28 | C29 | H51 | 109.4° | 109.4° |
| C28 | C29 | H52 | 109.4° | 109.5° |
| C28 | C27 | C26 | 108.9° | 109.4° |
| C28 | C27 | H47 | 109.6° | 109.5° |
| C28 | C27 | H48 | 109.6° | 109.5° |
| C27 | C28 | H49 | 109.4° | 109.5° |
| C27 | C28 | H50 | 109.4° | 109.5° |
| C19 | C20 | C21 | 109.2° | 109.5° |
| C20 | C19 | H31 | 125.2° | 120.0° |
| C19 | C20 | H33 | 109.5° | 109.5° |
| C19 | C20 | H34 | 109.5° | 109.5° |
| C14 | C13 | C12 | 108.7° | 109.5° |
| C14 | C13 | H19 | 109.7° | 109.5° |
| C14 | C13 | H20 | 109.7° | 109.5° |
| C13 | C14 | H21 | 109.6° | 109.5° |
| C13 | C14 | H22 | 109.6° | 109.5° |
| C27 | C26 | C25 | 109.6° | 109.4° |
| C27 | C26 | H45 | 109.4° | 109.4° |
| C27 | C26 | H46 | 109.4° | 109.4° |
| C26 | C27 | H47 | 109.6° | 109.4° |
| C26 | C27 | H48 | 109.6° | 109.5° |
| C13 | C12 | C10 | 108.0° | 109.5° |
| C13 | C12 | H16 | 109.8° | 109.5° |
| C13 | C12 | H17 | 109.8° | 109.4° |
| C12 | C13 | H19 | 109.6° | 109.5° |
| C12 | C13 | H20 | 109.6° | 109.4° |
| C26 | C25 | C24 | 109.5° | 120.0° |
| C26 | C25 | H43 | 125.2° | 120.0° |
| C25 | C26 | H45 | 109.4° | 109.5° |
| C25 | C26 | H46 | 109.5° | 109.5° |
| C20 | C21 | C22 | 110.3° | 120.0° |
| C21 | C20 | H33 | 109.6° | 109.5° |
| C21 | C20 | H34 | 109.6° | 109.5° |
| C20 | C21 | H35 | 124.8° | 120.0° |
| O17 | C10 | C12 | 120.9° | 120.0° |
| O17 | C10 | O16 | 124.8° | 120.0° |
| C21 | C22 | C23 | 110.6° | 120.0° |
| C22 | C21 | H35 | 124.9° | 120.0° |
| C21 | C22 | H37 | 124.7° | 120.0° |
| C22 | C23 | C24 | 109.0° | 109.5° |
| C23 | C22 | H37 | 124.7° | 120.0° |
| C22 | C23 | H39 | 109.6° | 109.5° |
| C22 | C23 | H40 | 109.6° | 109.5° |
| C23 | C24 | C25 | 109.7° | 120.0° |
| C24 | C23 | H39 | 109.6° | 109.5° |
| C24 | C23 | H40 | 109.6° | 109.5° |
| C23 | C24 | H41 | 125.2° | 120.0° |
| C12 | C10 | O16 | 114.2° | 120.0° |
| C10 | C12 | H16 | 109.8° | 109.5° |
| C10 | C12 | H17 | 109.8° | 109.5° |
| C25 | C24 | H41 | 125.2° | 120.0° |
| C24 | C25 | H43 | 125.3° | 120.0° |
| C36 | C35 | C34 | 109.5° | 109.5° |
| C35 | C36 | C37 | 109.0° | 109.5° |
| C36 | C35 | H64 | 109.5° | 109.5° |
| C36 | C35 | H65 | 109.5° | 109.5° |
| C35 | C36 | H66 | 109.6° | 109.5° |
| C35 | C36 | H67 | 109.6° | 109.5° |
| C35 | C34 | C33 | 108.9° | 109.5° |
| C35 | C34 | H62 | 109.6° | 109.5° |
| C35 | C34 | H63 | 109.6° | 109.4° |
| C34 | C35 | H64 | 109.5° | 109.5° |
| C34 | C35 | H65 | 109.4° | 109.4° |
| C36 | C37 | C38 | 109.9° | 109.5° |
| C37 | C36 | H66 | 109.6° | 109.4° |
| C37 | C36 | H67 | 109.6° | 109.5° |
| C36 | C37 | H68 | 109.4° | 109.4° |
| C36 | C37 | H69 | 109.3° | 109.5° |
| C10 | O16 | C8 | 110.1° | 117.0° |
| C37 | C38 | C39 | 109.7° | 109.5° |
| C38 | C37 | H68 | 109.3° | 109.5° |
| C38 | C37 | H69 | 109.4° | 109.4° |
| C37 | C38 | H70 | 109.4° | 109.4° |
| C37 | C38 | H71 | 109.4° | 109.4° |
| C38 | C39 | C40 | 109.2° | 109.5° |
| C39 | C38 | H70 | 109.4° | 109.5° |
| C39 | C38 | H71 | 109.4° | 109.5° |
| C38 | C39 | H72 | 109.5° | 109.4° |
| C38 | C39 | H73 | 109.5° | 109.5° |
| C34 | C33 | C32 | 109.8° | 109.5° |
| C34 | C33 | H60 | 109.4° | 109.5° |
| C34 | C33 | H61 | 109.4° | 109.5° |
| C33 | C34 | H62 | 109.6° | 109.5° |
| C33 | C34 | H63 | 109.6° | 109.5° |
| C33 | C32 | C31 | 109.7° | 109.5° |
| C33 | C32 | H58 | 109.4° | 109.5° |
| C33 | C32 | H59 | 109.4° | 109.4° |
| C32 | C33 | H60 | 109.4° | 109.5° |
| C32 | C33 | H61 | 109.4° | 109.4° |
| C43 | C42 | C41 | 110.0° | 109.4° |
| C42 | C43 | C44 | 109.1° | 109.5° |
| C43 | C42 | H79 | 109.3° | 109.5° |
| C43 | C42 | H80 | 109.3° | 109.4° |
| C42 | C43 | H82 | 109.5° | 109.5° |
| C42 | C43 | H83 | 109.6° | 109.4° |
| C42 | C41 | C40 | 109.2° | 109.5° |
| C42 | C41 | H76 | 109.6° | 109.5° |
| C42 | C41 | H77 | 109.5° | 109.5° |
| C41 | C42 | H79 | 109.4° | 109.5° |
| C41 | C42 | H80 | 109.3° | 109.5° |
| C45 | C44 | C43 | 110.3° | 109.5° |
| C44 | C45 | C46 | 110.0° | 109.5° |
| C45 | C44 | H84 | 109.3° | 109.4° |
| C45 | C44 | H85 | 109.3° | 109.5° |
| C44 | C45 | H86 | 109.3° | 109.5° |
| C44 | C45 | H87 | 109.4° | 109.5° |
| C44 | C43 | H82 | 109.6° | 109.5° |
| C44 | C43 | H83 | 109.6° | 109.5° |
| C43 | C44 | H84 | 109.3° | 109.5° |
| C43 | C44 | H85 | 109.3° | 109.5° |
| C45 | C46 | C47 | 109.6° | 109.5° |
| C46 | C45 | H86 | 109.4° | 109.4° |
| C46 | C45 | H87 | 109.3° | 109.4° |
| C45 | C46 | H88 | 109.4° | 109.4° |
| C45 | C46 | H89 | 109.4° | 109.5° |
| C39 | C40 | C41 | 109.9° | 109.5° |
| C40 | C39 | H72 | 109.5° | 109.5° |
| C40 | C39 | H73 | 109.5° | 109.4° |
| C39 | C40 | H74 | 109.4° | 109.5° |
| C39 | C40 | H75 | 109.3° | 109.5° |
| C41 | C40 | H74 | 109.4° | 109.5° |
| C41 | C40 | H75 | 109.4° | 109.4° |
| C40 | C41 | H76 | 109.6° | 109.5° |
| C40 | C41 | H77 | 109.6° | 109.4° |
| C32 | C31 | C11 | 109.3° | 109.4° |
| C32 | C31 | H56 | 109.5° | 109.5° |
| C32 | C31 | H57 | 109.5° | 109.4° |
| C31 | C32 | H58 | 109.4° | 109.5° |
| C31 | C32 | H59 | 109.4° | 109.5° |
| C31 | C11 | O18 | 114.6° | 120.0° |
| C31 | C11 | O19 | 120.7° | 120.1° |
| C11 | C31 | H56 | 109.5° | 109.5° |
| C11 | C31 | H57 | 109.5° | 109.5° |
| O16 | C8 | C9 | 108.8° | 109.5° |
| O16 | C8 | C7 | 108.2° | 109.4° |
| O16 | C8 | H13 | 111.0° | 109.5° |
| C11 | O18 | C9 | 112.0° | 117.0° |
| O18 | C11 | O19 | 124.7° | 120.0° |
| O18 | C9 | C8 | 109.4° | 109.5° |
| O18 | C9 | H14 | 109.5° | 109.4° |
| O18 | C9 | H15 | 109.5° | 109.4° |
| C9 | C8 | C7 | 109.8° | 109.5° |
| C9 | C8 | H13 | 109.5° | 109.5° |
| C8 | C9 | H14 | 109.5° | 109.5° |
| C8 | C9 | H15 | 109.5° | 109.5° |
| C8 | C7 | O13 | 109.5° | 109.5° |
| C8 | C7 | H11 | 109.5° | 109.5° |
| C8 | C7 | H12 | 109.5° | 109.5° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C47 | C46 | H88 | 109.5° | 109.5° |
| C47 | C46 | H89 | 109.4° | 109.5° |
| C46 | C47 | H90 | 109.5° | 109.5° |
| C46 | C47 | H91 | 109.5° | 109.5° |
| C46 | C47 | H92 | 109.5° | 109.5° |
| C7 | O13 | P1 | 119.5° | 123.0° |
| O13 | C7 | H11 | 109.5° | 109.4° |
| O13 | C7 | H12 | 109.4° | 109.5° |
| O13 | P1 | O1 | 101.6° | 109.4° |
| O13 | P1 | O11 | 108.0° | 109.5° |
| O13 | P1 | O12 | 109.3° | 109.4° |
| O5 | C5 | C6 | 109.6° | 109.5° |
| O5 | C5 | C4 | 109.8° | 109.5° |
| O5 | C5 | H7 | 109.7° | 109.5° |
| C5 | O5 | H8 | 109.5° | 114.0° |
| O6 | C6 | C5 | 109.5° | 109.5° |
| O6 | C6 | C1 | 109.4° | 109.5° |
| O6 | C6 | H9 | 110.0° | 109.5° |
| C6 | O6 | H10 | 109.5° | 114.1° |
| O43 | P4 | O42 | 115.8° | 109.5° |
| O43 | P4 | O4 | 104.7° | 109.4° |
| O43 | P4 | O41 | 114.5° | 109.5° |
| C5 | C6 | C1 | 110.5° | 109.5° |
| C6 | C5 | C4 | 110.5° | 109.5° |
| C6 | C5 | H7 | 108.6° | 109.5° |
| C5 | C6 | H9 | 108.7° | 109.4° |
| C6 | C1 | O1 | 109.4° | 109.4° |
| C6 | C1 | C2 | 109.4° | 109.4° |
| C6 | C1 | H1 | 109.3° | 109.5° |
| C1 | C6 | H9 | 108.7° | 109.5° |
| C5 | C4 | O4 | 109.5° | 109.5° |
| C5 | C4 | C3 | 109.2° | 109.4° |
| C5 | C4 | H6 | 109.3° | 109.4° |
| C4 | C5 | H7 | 108.6° | 109.5° |
| O1 | P1 | O11 | 108.9° | 109.5° |
| O1 | P1 | O12 | 107.0° | 109.5° |
| P1 | O1 | C1 | 123.0° | 122.9° |
| O11 | P1 | O12 | 120.5° | 109.5° |
| P1 | O12 | H18 | 109.5° | 114.1° |
| O1 | C1 | C2 | 108.8° | 109.5° |
| O1 | C1 | H1 | 110.5° | 109.6° |
| C1 | C2 | C3 | 110.1° | 109.5° |
| C1 | C2 | O2 | 108.9° | 109.5° |
| C2 | C1 | H1 | 109.4° | 109.4° |
| C1 | C2 | H2 | 109.0° | 109.5° |
| O42 | P4 | O4 | 103.6° | 109.5° |
| O42 | P4 | O41 | 114.6° | 109.5° |
| P4 | O42 | H81 | 109.5° | 114.0° |
| O4 | P4 | O41 | 101.1° | 109.5° |
| P4 | O4 | C4 | 122.3° | 122.9° |
| P4 | O41 | H78 | 109.5° | 114.0° |
| O4 | C4 | C3 | 109.2° | 109.5° |
| O4 | C4 | H6 | 110.4° | 109.6° |
| C4 | C3 | C2 | 110.1° | 109.5° |
| C4 | C3 | O3 | 109.9° | 109.5° |
| C4 | C3 | H4 | 108.7° | 109.5° |
| C3 | C4 | H6 | 109.2° | 109.5° |
| C3 | C2 | O2 | 109.6° | 109.5° |
| C2 | C3 | O3 | 109.4° | 109.5° |
| C3 | C2 | H2 | 108.9° | 109.4° |
| C2 | C3 | H4 | 108.7° | 109.4° |
| O2 | C2 | H2 | 110.3° | 109.5° |
| C2 | O2 | H3 | 109.5° | 114.0° |
| O3 | C3 | H4 | 109.9° | 109.4° |
| C3 | O3 | H5 | 109.5° | 114.0° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.4° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| H27 | C17 | H28 | 109.5° | 109.5° |
| H33 | C20 | H34 | 109.5° | 109.5° |
| H39 | C23 | H40 | 109.5° | 109.5° |
| H45 | C26 | H46 | 109.5° | 109.5° |
| H47 | C27 | H48 | 109.4° | 109.5° |
| H49 | C28 | H50 | 109.5° | 109.5° |
| H51 | C29 | H52 | 109.4° | 109.5° |
| H53 | C30 | H54 | 109.5° | 109.5° |
| H53 | C30 | H55 | 109.4° | 109.5° |
| H54 | C30 | H55 | 109.5° | 109.5° |
| H56 | C31 | H57 | 109.5° | 109.5° |
| H58 | C32 | H59 | 109.5° | 109.4° |
| H60 | C33 | H61 | 109.5° | 109.5° |
| H62 | C34 | H63 | 109.5° | 109.4° |
| H64 | C35 | H65 | 109.5° | 109.5° |
| H66 | C36 | H67 | 109.5° | 109.5° |
| H68 | C37 | H69 | 109.5° | 109.5° |
| H70 | C38 | H71 | 109.5° | 109.5° |
| H72 | C39 | H73 | 109.5° | 109.5° |
| H74 | C40 | H75 | 109.5° | 109.5° |
| H76 | C41 | H77 | 109.4° | 109.5° |
| H79 | C42 | H80 | 109.5° | 109.5° |
| H82 | C43 | H83 | 109.5° | 109.5° |
| H84 | C44 | H85 | 109.5° | 109.4° |
| H86 | C45 | H87 | 109.5° | 109.5° |
| H88 | C46 | H89 | 109.5° | 109.4° |
| H90 | C47 | H91 | 109.5° | 109.5° |
| H90 | C47 | H92 | 109.5° | 109.5° |
| H91 | C47 | H92 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H25 | 180.0° | 179.9° |
| C16 | C15 | C14 | H23 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 176.1° | 126.3° |
| C16 | C15 | C14 | C13 | 117.6° | 127.6° |
| C16 | C15 | C14 | H21 | 122.4° | 7.6° |
| C16 | C15 | C14 | H22 | 2.3° | 112.4° |
| C15 | C16 | C17 | H27 | 63.9° | 113.7° |
| C15 | C16 | C17 | H28 | 56.0° | 6.3° |
| C17 | C16 | C15 | C14 | 58.5° | 7.3° |
| C16 | C17 | C18 | H27 | 120.0° | 120.0° |
| C16 | C17 | C18 | H28 | 120.0° | 120.0° |
| C16 | C17 | C18 | C19 | 86.6° | 127.6° |
| C17 | C16 | C15 | H23 | 121.5° | 172.7° |
| C16 | C17 | H27 | H28 | 119.9° | 120.0° |
| C16 | C17 | C18 | H29 | 93.4° | 52.3° |
| C30 | C29 | C28 | H51 | 120.1° | 120.0° |
| C30 | C29 | C28 | H52 | 120.0° | 120.0° |
| C30 | C29 | C28 | C27 | 176.1° | 180.0° |
| C30 | C29 | C28 | H49 | 56.1° | 60.0° |
| C30 | C29 | C28 | H50 | 63.9° | 60.0° |
| C30 | C29 | H51 | H52 | 119.9° | 120.1° |
| C29 | C30 | H53 | H54 | 120.0° | 120.0° |
| C29 | C30 | H53 | H55 | 120.0° | 120.1° |
| C29 | C30 | H54 | H55 | 120.0° | 120.1° |
| C15 | C14 | C13 | H21 | 119.9° | 120.0° |
| C15 | C14 | C13 | H22 | 119.9° | 119.9° |
| C15 | C14 | C13 | C12 | 177.3° | 180.0° |
| C15 | C14 | C13 | H19 | 62.9° | 60.0° |
| C15 | C14 | C13 | H20 | 57.4° | 60.1° |
| C15 | C14 | H21 | H22 | 120.2° | 120.0° |
| C14 | C15 | C16 | H25 | 121.5° | 172.7° |
| C17 | C18 | C19 | H29 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 54.1° | 7.3° |
| C18 | C17 | C16 | H25 | 3.9° | 53.6° |
| C18 | C17 | H27 | H28 | 119.9° | 120.0° |
| C17 | C18 | C19 | H31 | 126.0° | 172.7° |
| C18 | C19 | C20 | H31 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 149.7° | 126.4° |
| C19 | C18 | C17 | H27 | 153.4° | 7.6° |
| C19 | C18 | C17 | H28 | 33.5° | 112.4° |
| C18 | C19 | C20 | H33 | 29.7° | 113.6° |
| C18 | C19 | C20 | H34 | 90.4° | 6.4° |
| C29 | C28 | C27 | H49 | 120.0° | 120.0° |
| C29 | C28 | C27 | H50 | 120.0° | 120.0° |
| C29 | C28 | C27 | C26 | 156.1° | 180.0° |
| C29 | C28 | C27 | H47 | 36.2° | 60.0° |
| C29 | C28 | C27 | H48 | 84.0° | 59.9° |
| C29 | C28 | H49 | H50 | 119.9° | 120.0° |
| C28 | C29 | H51 | H52 | 119.9° | 120.0° |
| C28 | C29 | C30 | H53 | 180.0° | 180.0° |
| C28 | C29 | C30 | H54 | 60.0° | 60.1° |
| C28 | C29 | C30 | H55 | 60.0° | 60.0° |
| C28 | C27 | C26 | H47 | 119.9° | 120.0° |
| C28 | C27 | C26 | H48 | 119.9° | 120.0° |
| C28 | C27 | C26 | C25 | 176.7° | 180.0° |
| C28 | C27 | C26 | H45 | 63.3° | 60.0° |
| C28 | C27 | C26 | H46 | 56.6° | 60.0° |
| C28 | C27 | H47 | H48 | 120.3° | 120.0° |
| C27 | C28 | H49 | H50 | 119.9° | 120.0° |
| C27 | C28 | C29 | H51 | 63.9° | 60.0° |
| C27 | C28 | C29 | H52 | 56.0° | 60.0° |
| C19 | C20 | C21 | H33 | 120.0° | 120.0° |
| C19 | C20 | C21 | H34 | 119.9° | 120.0° |
| C19 | C20 | C21 | C22 | 119.0° | 126.7° |
| C20 | C19 | C18 | H29 | 126.0° | 172.7° |
| C19 | C20 | H33 | H34 | 120.1° | 120.0° |
| C19 | C20 | C21 | H35 | 61.0° | 53.2° |
| C14 | C13 | C12 | H19 | 119.9° | 120.0° |
| C14 | C13 | C12 | H20 | 119.9° | 120.0° |
| C14 | C13 | C12 | C10 | 141.7° | 180.0° |
| C14 | C13 | C12 | H16 | 22.0° | 60.0° |
| C14 | C13 | C12 | H17 | 98.5° | 60.0° |
| C14 | C13 | H19 | H20 | 120.4° | 120.0° |
| C13 | C14 | H21 | H22 | 120.2° | 120.0° |
| C13 | C14 | C15 | H23 | 62.4° | 52.3° |
| C27 | C26 | C25 | H45 | 120.0° | 120.0° |
| C27 | C26 | C25 | H46 | 120.0° | 120.0° |
| C27 | C26 | C25 | C24 | 148.5° | 127.7° |
| C27 | C26 | C25 | H43 | 31.6° | 52.4° |
| C27 | C26 | H45 | H46 | 119.9° | 120.0° |
| C26 | C27 | H47 | H48 | 120.2° | 120.1° |
| C26 | C27 | C28 | H49 | 83.8° | 60.0° |
| C26 | C27 | C28 | H50 | 36.1° | 60.0° |
| C13 | C12 | C10 | O17 | 8.6° | 0.0° |
| C13 | C12 | C10 | H16 | 119.8° | 120.0° |
| C13 | C12 | C10 | H17 | 119.8° | 120.0° |
| C13 | C12 | C10 | O16 | 171.6° | 180.0° |
| C13 | C12 | H16 | H17 | 120.7° | 119.9° |
| C12 | C13 | H19 | H20 | 120.3° | 120.0° |
| C12 | C13 | C14 | H21 | 57.4° | 60.0° |
| C12 | C13 | C14 | H22 | 62.8° | 60.1° |
| C26 | C25 | C24 | C23 | 56.1° | 7.3° |
| C26 | C25 | C24 | H43 | 180.0° | 180.0° |
| C26 | C25 | C24 | H41 | 123.9° | 172.7° |
| C25 | C26 | H45 | H46 | 120.0° | 120.1° |
| C25 | C26 | C27 | H47 | 56.7° | 60.0° |
| C25 | C26 | C27 | H48 | 63.4° | 60.0° |
| C20 | C21 | C22 | H35 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 46.1° | 7.9° |
| C21 | C20 | C19 | H31 | 30.3° | 53.6° |
| C21 | C20 | H33 | H34 | 120.2° | 120.0° |
| C20 | C21 | C22 | H37 | 133.9° | 172.2° |
| O17 | C10 | C12 | O16 | 179.8° | 180.0° |
| O17 | C10 | O16 | C8 | 5.7° | 0.0° |
| O17 | C10 | C12 | H16 | 111.2° | 120.0° |
| O17 | C10 | C12 | H17 | 128.4° | 120.0° |
| C21 | C22 | C23 | H37 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 170.0° | 126.7° |
| C22 | C21 | C20 | H33 | 121.1° | 6.8° |
| C22 | C21 | C20 | H34 | 1.0° | 113.3° |
| C21 | C22 | C23 | H39 | 50.1° | 113.3° |
| C21 | C22 | C23 | H40 | 70.1° | 6.7° |
| C22 | C23 | C24 | H39 | 119.9° | 120.0° |
| C22 | C23 | C24 | H40 | 119.9° | 120.0° |
| C22 | C23 | C24 | C25 | 160.0° | 126.4° |
| C23 | C22 | C21 | H35 | 133.9° | 172.2° |
| C22 | C23 | H39 | H40 | 120.2° | 120.0° |
| C22 | C23 | C24 | H41 | 20.0° | 53.6° |
| C23 | C24 | C25 | H41 | 180.0° | 180.0° |
| C24 | C23 | C22 | H37 | 10.0° | 53.2° |
| C24 | C23 | H39 | H40 | 120.2° | 120.0° |
| C23 | C24 | C25 | H43 | 123.9° | 172.7° |
| C12 | C10 | O16 | C8 | 174.1° | 180.0° |
| C10 | C12 | H16 | H17 | 120.7° | 120.0° |
| C10 | C12 | C13 | H19 | 98.4° | 60.0° |
| C10 | C12 | C13 | H20 | 21.9° | 60.0° |
| C25 | C24 | C23 | H39 | 80.1° | 6.4° |
| C25 | C24 | C23 | H40 | 40.1° | 113.6° |
| C24 | C25 | C26 | H45 | 91.5° | 112.4° |
| C24 | C25 | C26 | H46 | 28.4° | 7.7° |
| C36 | C35 | C34 | H64 | 120.0° | 120.0° |
| C36 | C35 | C34 | H65 | 120.0° | 120.0° |
| C35 | C36 | C37 | H66 | 119.9° | 120.0° |
| C35 | C36 | C37 | H67 | 119.9° | 120.0° |
| C35 | C36 | C37 | C38 | 163.2° | 180.0° |
| C36 | C35 | C34 | C33 | 106.8° | 180.0° |
| C36 | C35 | C34 | H62 | 133.3° | 59.9° |
| C36 | C35 | C34 | H63 | 13.1° | 59.9° |
| C36 | C35 | H64 | H65 | 120.0° | 120.1° |
| C35 | C36 | H66 | H67 | 120.2° | 120.0° |
| C35 | C36 | C37 | H68 | 76.7° | 60.0° |
| C35 | C36 | C37 | H69 | 43.2° | 60.0° |
| C34 | C35 | C36 | C37 | 105.3° | 180.0° |
| C35 | C34 | C33 | H62 | 119.9° | 120.1° |
| C35 | C34 | C33 | H63 | 119.9° | 120.0° |
| C35 | C34 | C33 | C32 | 151.8° | 180.0° |
| C35 | C34 | C33 | H60 | 31.7° | 60.0° |
| C35 | C34 | C33 | H61 | 88.2° | 60.0° |
| C35 | C34 | H62 | H63 | 120.3° | 119.9° |
| C34 | C35 | H64 | H65 | 120.0° | 119.9° |
| C34 | C35 | C36 | H66 | 134.8° | 60.0° |
| C34 | C35 | C36 | H67 | 14.6° | 60.0° |
| C36 | C37 | C38 | H68 | 120.1° | 120.0° |
| C36 | C37 | C38 | H69 | 120.0° | 120.0° |
| C36 | C37 | C38 | C39 | 84.1° | 180.0° |
| C37 | C36 | C35 | H64 | 134.6° | 60.0° |
| C37 | C36 | C35 | H65 | 14.7° | 60.0° |
| C37 | C36 | H66 | H67 | 120.2° | 120.0° |
| C36 | C37 | H68 | H69 | 119.8° | 120.0° |
| C36 | C37 | C38 | H70 | 155.8° | 60.0° |
| C36 | C37 | C38 | H71 | 35.9° | 60.0° |
| C10 | O16 | C8 | C9 | 107.6° | 150.0° |
| C10 | O16 | C8 | C7 | 133.1° | 90.0° |
| C10 | O16 | C8 | H13 | 12.9° | 30.0° |
| O16 | C10 | C12 | H16 | 68.6° | 60.0° |
| O16 | C10 | C12 | H17 | 51.9° | 60.0° |
| C37 | C38 | C39 | H70 | 120.0° | 120.0° |
| C37 | C38 | C39 | H71 | 120.0° | 120.0° |
| C37 | C38 | C39 | C40 | 178.4° | 180.0° |
| C38 | C37 | C36 | H66 | 43.3° | 60.0° |
| C38 | C37 | C36 | H67 | 76.9° | 60.0° |
| C38 | C37 | H68 | H69 | 119.8° | 119.9° |
| C37 | C38 | H70 | H71 | 119.9° | 119.9° |
| C37 | C38 | C39 | H72 | 61.6° | 60.0° |
| C37 | C38 | C39 | H73 | 58.5° | 60.0° |
| C38 | C39 | C40 | H72 | 119.9° | 120.0° |
| C38 | C39 | C40 | H73 | 119.9° | 120.0° |
| C38 | C39 | C40 | C41 | 158.8° | 180.0° |
| C39 | C38 | C37 | H68 | 35.9° | 60.0° |
| C39 | C38 | C37 | H69 | 155.8° | 60.0° |
| C39 | C38 | H70 | H71 | 119.9° | 120.1° |
| C38 | C39 | H72 | H73 | 120.1° | 120.0° |
| C38 | C39 | C40 | H74 | 81.2° | 60.0° |
| C38 | C39 | C40 | H75 | 38.7° | 60.0° |
| C34 | C33 | C32 | H60 | 120.0° | 120.0° |
| C34 | C33 | C32 | H61 | 120.1° | 120.0° |
| C34 | C33 | C32 | C31 | 155.6° | NaN° |
| C34 | C33 | C32 | H58 | 35.6° | 60.0° |
| C34 | C33 | C32 | H59 | 84.3° | 60.0° |
| C34 | C33 | H60 | H61 | 119.9° | 120.0° |
| C33 | C34 | H62 | H63 | 120.3° | 120.0° |
| C33 | C34 | C35 | H64 | 13.2° | 60.0° |
| C33 | C34 | C35 | H65 | 133.2° | 60.0° |
| C33 | C32 | C31 | H58 | 120.1° | 120.0° |
| C33 | C32 | C31 | H59 | 120.0° | 120.0° |
| C33 | C32 | C31 | C11 | 101.3° | 180.0° |
| C33 | C32 | C31 | H56 | 138.8° | 60.0° |
| C33 | C32 | C31 | H57 | 18.7° | 60.0° |
| C33 | C32 | H58 | H59 | 119.9° | 119.9° |
| C32 | C33 | H60 | H61 | 119.8° | 120.0° |
| C32 | C33 | C34 | H62 | 88.3° | 59.9° |
| C32 | C33 | C34 | H63 | 31.9° | 60.0° |
| C43 | C42 | C41 | H79 | 120.1° | 120.0° |
| C43 | C42 | C41 | H80 | 120.1° | 119.9° |
| C42 | C43 | C44 | C45 | 133.5° | 180.0° |
| C42 | C43 | C44 | H82 | 119.9° | 120.0° |
| C42 | C43 | C44 | H83 | 120.0° | 119.9° |
| C43 | C42 | C41 | C40 | 144.6° | 180.0° |
| C43 | C42 | C41 | H76 | 24.7° | 60.0° |
| C43 | C42 | C41 | H77 | 95.4° | 60.1° |
| C43 | C42 | H79 | H80 | 119.8° | 120.0° |
| C42 | C43 | H82 | H83 | 120.2° | 120.0° |
| C42 | C43 | C44 | H84 | 106.4° | 60.0° |
| C42 | C43 | C44 | H85 | 13.4° | 60.0° |
| C41 | C42 | C43 | C44 | 154.1° | 180.0° |
| C42 | C41 | C40 | C39 | 144.1° | 180.0° |
| C42 | C41 | C40 | H76 | 120.0° | 120.0° |
| C42 | C41 | C40 | H77 | 120.0° | 120.0° |
| C42 | C41 | C40 | H74 | 95.8° | 60.0° |
| C42 | C41 | C40 | H75 | 24.1° | 60.0° |
| C42 | C41 | H76 | H77 | 120.1° | 120.1° |
| C41 | C42 | H79 | H80 | 119.8° | 120.0° |
| C41 | C42 | C43 | H82 | 34.1° | 60.0° |
| C41 | C42 | C43 | H83 | 86.0° | 60.0° |
| C45 | C44 | C43 | H84 | 120.1° | 120.0° |
| C45 | C44 | C43 | H85 | 120.1° | 120.1° |
| C44 | C45 | C46 | H86 | 120.1° | 120.0° |
| C44 | C45 | C46 | H87 | 120.1° | 120.0° |
| C44 | C45 | C46 | C47 | 169.1° | 180.0° |
| C45 | C44 | C43 | H82 | 106.6° | 60.0° |
| C45 | C44 | C43 | H83 | 13.5° | 60.0° |
| C45 | C44 | H84 | H85 | 119.6° | 120.0° |
| C44 | C45 | H86 | H87 | 119.8° | 120.1° |
| C44 | C45 | C46 | H88 | 49.0° | 60.0° |
| C44 | C45 | C46 | H89 | 70.9° | 59.9° |
| C43 | C44 | C45 | C46 | 74.1° | 180.0° |
| C44 | C43 | C42 | H79 | 34.0° | 60.0° |
| C44 | C43 | C42 | H80 | 85.9° | 60.1° |
| C44 | C43 | H82 | H83 | 120.2° | 120.0° |
| C43 | C44 | H84 | H85 | 119.6° | 120.0° |
| C43 | C44 | C45 | H86 | 46.0° | 60.0° |
| C43 | C44 | C45 | H87 | 165.8° | 60.0° |
| C45 | C46 | C47 | H88 | 120.0° | 120.0° |
| C45 | C46 | C47 | H89 | 120.0° | 120.1° |
| C46 | C45 | C44 | H84 | 46.0° | 60.0° |
| C46 | C45 | C44 | H85 | 165.8° | 59.9° |
| C46 | C45 | H86 | H87 | 119.8° | 119.9° |
| C45 | C46 | H88 | H89 | 119.9° | 120.0° |
| C45 | C46 | C47 | H90 | 180.0° | 180.0° |
| C45 | C46 | C47 | H91 | 60.0° | 60.0° |
| C45 | C46 | C47 | H92 | 60.0° | 60.0° |
| C39 | C40 | C41 | H74 | 120.1° | 120.0° |
| C39 | C40 | C41 | H75 | 120.0° | 120.0° |
| C40 | C39 | C38 | H70 | 58.4° | 60.0° |
| C40 | C39 | C38 | H71 | 61.6° | 60.0° |
| C40 | C39 | H72 | H73 | 120.1° | 120.0° |
| C39 | C40 | H74 | H75 | 119.8° | 120.0° |
| C39 | C40 | C41 | H76 | 95.9° | 60.0° |
| C39 | C40 | C41 | H77 | 24.2° | 60.0° |
| C41 | C40 | C39 | H72 | 38.8° | 60.0° |
| C41 | C40 | C39 | H73 | 81.3° | 60.0° |
| C41 | C40 | H74 | H75 | 119.8° | 120.0° |
| C40 | C41 | H76 | H77 | 120.2° | 119.9° |
| C40 | C41 | C42 | H79 | 95.3° | 60.0° |
| C40 | C41 | C42 | H80 | 24.6° | 60.1° |
| C32 | C31 | C11 | H56 | 120.0° | 120.0° |
| C32 | C31 | C11 | H57 | 120.0° | 120.0° |
| C32 | C31 | C11 | O18 | 179.6° | 180.0° |
| C32 | C31 | C11 | O19 | 0.0° | 0.0° |
| C32 | C31 | H56 | H57 | 120.1° | 119.9° |
| C31 | C32 | H58 | H59 | 119.9° | 120.0° |
| C31 | C32 | C33 | H60 | 84.3° | 60.0° |
| C31 | C32 | C33 | H61 | 35.6° | 60.0° |
| C31 | C11 | O18 | O19 | 179.6° | 180.0° |
| C31 | C11 | O18 | C9 | 175.8° | 180.0° |
| C11 | C31 | H56 | H57 | 120.1° | 120.1° |
| C11 | C31 | C32 | H58 | 18.8° | 60.0° |
| C11 | C31 | C32 | H59 | 138.7° | 60.0° |
| O16 | C8 | C9 | O18 | 69.0° | 65.0° |
| O16 | C8 | C9 | C7 | 118.3° | 120.0° |
| O16 | C8 | C9 | H13 | 121.5° | 120.0° |
| O16 | C8 | C7 | H13 | 121.1° | 120.0° |
| O16 | C8 | C7 | O13 | 44.8° | 65.0° |
| O16 | C8 | C7 | H11 | 164.8° | 175.0° |
| O16 | C8 | C7 | H12 | 75.2° | 55.0° |
| O16 | C8 | C9 | H14 | 51.0° | 55.0° |
| O16 | C8 | C9 | H15 | 171.0° | 175.0° |
| C11 | O18 | C9 | C8 | 101.2° | 180.0° |
| C11 | O18 | C9 | H14 | 18.8° | 60.0° |
| C11 | O18 | C9 | H15 | 138.8° | 60.0° |
| O18 | C11 | C31 | H56 | 59.6° | 60.0° |
| O18 | C11 | C31 | H57 | 60.5° | 60.0° |
| O18 | C9 | C8 | H14 | 120.0° | 120.0° |
| O18 | C9 | C8 | H15 | 120.0° | 120.0° |
| O18 | C9 | C8 | C7 | 172.7° | 55.0° |
| C9 | O18 | C11 | O19 | 4.6° | 0.0° |
| O18 | C9 | C8 | H13 | 52.5° | 175.0° |
| O18 | C9 | H14 | H15 | 120.0° | 119.9° |
| C9 | C8 | C7 | H13 | 120.3° | 120.0° |
| C9 | C8 | C7 | O13 | 73.8° | 55.0° |
| C9 | C8 | C7 | H11 | 46.2° | 65.0° |
| C9 | C8 | C7 | H12 | 166.2° | 175.0° |
| C8 | C9 | H14 | H15 | 120.1° | 120.1° |
| C8 | C7 | O13 | H11 | 120.0° | 120.0° |
| C8 | C7 | O13 | H12 | 120.0° | 120.1° |
| C8 | C7 | O13 | P1 | 128.0° | 179.9° |
| C8 | C7 | H11 | H12 | 120.0° | 120.1° |
| C7 | C8 | C9 | H14 | 67.3° | 175.0° |
| C7 | C8 | C9 | H15 | 52.7° | 65.0° |
| O19 | C11 | C31 | H56 | 120.0° | 120.0° |
| O19 | C11 | C31 | H57 | 119.9° | 120.0° |
| C47 | C46 | C45 | H86 | 70.9° | 60.0° |
| C47 | C46 | C45 | H87 | 49.0° | 60.0° |
| C47 | C46 | H88 | H89 | 119.9° | 120.0° |
| C46 | C47 | H90 | H91 | 120.0° | 120.0° |
| C46 | C47 | H90 | H92 | 120.0° | 120.0° |
| C46 | C47 | H91 | H92 | 120.0° | 120.0° |
| C7 | O13 | P1 | O1 | 30.2° | 175.0° |
| C7 | O13 | P1 | O11 | 84.2° | 55.0° |
| C7 | O13 | P1 | O12 | 143.0° | 65.0° |
| O13 | C7 | H11 | H12 | 119.9° | 120.0° |
| O13 | C7 | C8 | H13 | 165.9° | 175.0° |
| O13 | P1 | O1 | O11 | 113.8° | 120.0° |
| O13 | P1 | O1 | O12 | 114.6° | 119.9° |
| O13 | P1 | O11 | O12 | 126.5° | 120.0° |
| O13 | P1 | O1 | C1 | 124.8° | 175.0° |
| P1 | O13 | C7 | H11 | 8.0° | 60.0° |
| P1 | O13 | C7 | H12 | 112.0° | 60.0° |
| O13 | P1 | O12 | H18 | 125.9° | 60.0° |
| O5 | C5 | C6 | O6 | 59.2° | 60.0° |
| O5 | C5 | C6 | C4 | 121.2° | 120.0° |
| O5 | C5 | C6 | H7 | 119.8° | 120.0° |
| O5 | C5 | C6 | C1 | 179.8° | 179.9° |
| O5 | C5 | C4 | H7 | 119.9° | 120.0° |
| O5 | C5 | C4 | O4 | 61.2° | 60.0° |
| O5 | C5 | C4 | C3 | 179.3° | 180.0° |
| O5 | C5 | C4 | H6 | 59.9° | 60.1° |
| O5 | C5 | C6 | H9 | 61.0° | 60.0° |
| O6 | C6 | C5 | C1 | 120.6° | 120.0° |
| O6 | C6 | C5 | H9 | 120.2° | 120.0° |
| O6 | C6 | C1 | H9 | 120.1° | 120.0° |
| O6 | C6 | C5 | C4 | 62.0° | 60.0° |
| O6 | C6 | C1 | O1 | 56.7° | 60.0° |
| O6 | C6 | C1 | C2 | 62.4° | 60.0° |
| O6 | C6 | C1 | H1 | 177.9° | 179.9° |
| O6 | C6 | C5 | H7 | 179.0° | 180.0° |
| O43 | P4 | O42 | O4 | 114.0° | 120.0° |
| O43 | P4 | O42 | O41 | 136.8° | 120.0° |
| O43 | P4 | O4 | O41 | 119.2° | 119.9° |
| O43 | P4 | O4 | C4 | 29.6° | 55.1° |
| O43 | P4 | O41 | H78 | 0.0° | 60.0° |
| O43 | P4 | O42 | H81 | 0.0° | 179.9° |
| C5 | C6 | C1 | H9 | 119.2° | 120.0° |
| C6 | C5 | C4 | H7 | 119.0° | 120.0° |
| C5 | C6 | C1 | O1 | 177.4° | 180.0° |
| C5 | C6 | C1 | C2 | 58.3° | 60.0° |
| C6 | C5 | C4 | O4 | 177.8° | 180.0° |
| C6 | C5 | C4 | C3 | 58.3° | 60.0° |
| C5 | C6 | C1 | H1 | 61.5° | 59.9° |
| C6 | C5 | C4 | H6 | 61.2° | 59.9° |
| C6 | C5 | O5 | H8 | 124.7° | 60.0° |
| C5 | C6 | O6 | H10 | 180.0° | 60.0° |
| C1 | C6 | C5 | C4 | 58.6° | 60.1° |
| C6 | C1 | O1 | P1 | 111.6° | 120.0° |
| C6 | C1 | O1 | C2 | 119.5° | 119.9° |
| C6 | C1 | O1 | H1 | 120.4° | 120.1° |
| C6 | C1 | C2 | H1 | 119.7° | 120.0° |
| C6 | C1 | C2 | C3 | 58.8° | 60.0° |
| C6 | C1 | C2 | O2 | 179.1° | 180.0° |
| C6 | C1 | C2 | H2 | 60.6° | 60.0° |
| C1 | C6 | C5 | H7 | 60.4° | 60.0° |
| C1 | C6 | O6 | H10 | 58.8° | 180.0° |
| C5 | C4 | O4 | P4 | 98.3° | 120.1° |
| C5 | C4 | O4 | C3 | 119.5° | 119.9° |
| C5 | C4 | O4 | H6 | 120.4° | 120.0° |
| C5 | C4 | C3 | H6 | 119.5° | 119.9° |
| C5 | C4 | C3 | C2 | 58.8° | 60.0° |
| C5 | C4 | C3 | O3 | 179.4° | 180.0° |
| C5 | C4 | C3 | H4 | 60.2° | 60.0° |
| C4 | C5 | O5 | H8 | 3.2° | 180.0° |
| C4 | C5 | C6 | H9 | 177.8° | 180.0° |
| O1 | P1 | O11 | O12 | 124.0° | 120.0° |
| P1 | O1 | C1 | C2 | 128.9° | 120.1° |
| P1 | O1 | C1 | H1 | 8.8° | 0.1° |
| O1 | P1 | O12 | H18 | 124.9° | 59.9° |
| O11 | P1 | O1 | C1 | 11.0° | 55.0° |
| O11 | P1 | O12 | H18 | 0.0° | 180.0° |
| O12 | P1 | O1 | C1 | 120.6° | 65.1° |
| O1 | C1 | C2 | H1 | 120.8° | 120.1° |
| O1 | C1 | C2 | C3 | 178.3° | 179.9° |
| O1 | C1 | C2 | O2 | 61.4° | 60.0° |
| O1 | C1 | C2 | H2 | 58.9° | 60.0° |
| O1 | C1 | C6 | H9 | 63.4° | 60.1° |
| C1 | C2 | C3 | C4 | 59.7° | 60.0° |
| C1 | C2 | C3 | O2 | 119.8° | 120.0° |
| C1 | C2 | C3 | H2 | 119.5° | 120.0° |
| C1 | C2 | O2 | H2 | 119.5° | 120.0° |
| C1 | C2 | C3 | O3 | 179.4° | 179.9° |
| C1 | C2 | O2 | H3 | 180.0° | 180.0° |
| C1 | C2 | C3 | H4 | 59.3° | 60.0° |
| C2 | C1 | C6 | H9 | 177.5° | 180.0° |
| O42 | P4 | O4 | O41 | 119.0° | 120.0° |
| O42 | P4 | O4 | C4 | 151.3° | 65.0° |
| O42 | P4 | O41 | H78 | 137.4° | 60.0° |
| P4 | O4 | C4 | C3 | 142.2° | 120.0° |
| P4 | O4 | C4 | H6 | 22.0° | 0.1° |
| O4 | P4 | O41 | H78 | 111.9° | 180.0° |
| O4 | P4 | O42 | H81 | 114.0° | 60.1° |
| O41 | P4 | O4 | C4 | 89.7° | 175.0° |
| O41 | P4 | O42 | H81 | 136.8° | 59.9° |
| O4 | C4 | C3 | H6 | 120.9° | 120.1° |
| O4 | C4 | C3 | C2 | 178.5° | 179.9° |
| O4 | C4 | C3 | O3 | 60.9° | 60.0° |
| O4 | C4 | C3 | H4 | 59.4° | 59.9° |
| O4 | C4 | C5 | H7 | 58.8° | 60.0° |
| C4 | C3 | C2 | O3 | 120.9° | 120.0° |
| C4 | C3 | C2 | H4 | 119.0° | 120.0° |
| C4 | C3 | C2 | O2 | 179.5° | 180.0° |
| C4 | C3 | O3 | H4 | 119.6° | 120.0° |
| C4 | C3 | C2 | H2 | 59.8° | 60.0° |
| C4 | C3 | O3 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | H7 | 60.7° | 60.0° |
| C3 | C2 | O2 | H2 | 119.9° | 119.9° |
| C2 | C3 | O3 | H4 | 119.3° | 120.0° |
| C3 | C2 | C1 | H1 | 60.9° | 60.0° |
| C3 | C2 | O2 | H3 | 59.5° | 59.9° |
| C2 | C3 | O3 | H5 | 59.0° | 59.9° |
| C2 | C3 | C4 | H6 | 60.7° | 60.0° |
| O2 | C2 | C3 | O3 | 59.6° | 59.9° |
| O2 | C2 | C1 | H1 | 59.3° | 60.1° |
| O2 | C2 | C3 | H4 | 60.5° | 60.0° |
| O3 | C3 | C2 | H2 | 61.1° | 60.0° |
| O3 | C3 | C4 | H6 | 60.0° | 60.1° |
| H1 | C1 | C2 | H2 | 179.6° | 179.9° |
| H1 | C1 | C6 | H9 | 57.7° | 60.0° |
| H2 | C2 | O2 | H3 | 60.4° | 60.0° |
| H2 | C2 | C3 | H4 | 178.8° | 180.0° |
| H4 | C3 | O3 | H5 | 60.4° | 60.0° |
| H4 | C3 | C4 | H6 | 179.7° | 180.0° |
| H6 | C4 | C5 | H7 | 179.8° | 179.9° |
| H7 | C5 | O5 | H8 | 116.1° | 60.0° |
| H7 | C5 | C6 | H9 | 58.8° | 60.0° |
| H9 | C6 | O6 | H10 | 60.6° | 60.0° |
| H11 | C7 | C8 | H13 | 74.0° | 55.1° |
| H12 | C7 | C8 | H13 | 45.9° | 65.0° |
| H13 | C8 | C9 | H14 | 172.5° | 65.0° |
| H13 | C8 | C9 | H15 | 67.5° | 55.0° |
| H16 | C12 | C13 | H19 | 141.9° | 180.0° |
| H16 | C12 | C13 | H20 | 97.9° | 60.0° |
| H17 | C12 | C13 | H19 | 21.4° | 60.1° |
| H17 | C12 | C13 | H20 | 141.6° | 179.9° |
| H19 | C13 | C14 | H21 | 177.2° | 180.0° |
| H19 | C13 | C14 | H22 | 57.0° | 60.0° |
| H20 | C13 | C14 | H21 | 62.5° | 59.9° |
| H20 | C13 | C14 | H22 | 177.3° | 180.0° |
| H21 | C14 | C15 | H23 | 57.6° | 172.4° |
| H22 | C14 | C15 | H23 | 177.7° | 67.6° |
| H23 | C15 | C16 | H25 | 58.5° | 7.2° |
| H25 | C16 | C17 | H27 | 116.1° | 66.4° |
| H25 | C16 | C17 | H28 | 124.0° | 173.6° |
| H27 | C17 | C18 | H29 | 26.6° | 172.3° |
| H28 | C17 | C18 | H29 | 146.6° | 67.7° |
| H29 | C18 | C19 | H31 | 54.0° | 7.3° |
| H31 | C19 | C20 | H33 | 150.3° | 66.4° |
| H31 | C19 | C20 | H34 | 89.7° | 173.6° |
| H33 | C20 | C21 | H35 | 58.9° | 173.2° |
| H34 | C20 | C21 | H35 | 179.0° | 66.8° |
| H35 | C21 | C22 | H37 | 46.1° | 7.8° |
| H37 | C22 | C23 | H39 | 129.9° | 66.8° |
| H37 | C22 | C23 | H40 | 109.9° | 173.2° |
| H39 | C23 | C24 | H41 | 99.9° | 173.6° |
| H40 | C23 | C24 | H41 | 139.9° | 66.4° |
| H41 | C24 | C25 | H43 | 56.1° | 7.3° |
| H43 | C25 | C26 | H45 | 88.5° | 67.6° |
| H43 | C25 | C26 | H46 | 151.6° | 172.3° |
| H45 | C26 | C27 | H47 | 176.8° | 180.0° |
| H45 | C26 | C27 | H48 | 56.6° | 60.0° |
| H46 | C26 | C27 | H47 | 63.3° | 60.0° |
| H46 | C26 | C27 | H48 | 176.6° | 180.0° |
| H47 | C27 | C28 | H49 | 156.2° | 180.0° |
| H47 | C27 | C28 | H50 | 83.8° | 59.9° |
| H48 | C27 | C28 | H49 | 36.1° | 60.0° |
| H48 | C27 | C28 | H50 | 156.0° | 179.9° |
| H49 | C28 | C29 | H51 | 176.1° | 180.0° |
| H49 | C28 | C29 | H52 | 64.0° | 60.0° |
| H50 | C28 | C29 | H51 | 56.2° | 59.9° |
| H50 | C28 | C29 | H52 | 176.1° | 179.9° |
| H51 | C29 | C30 | H53 | 60.0° | 60.0° |
| H51 | C29 | C30 | H54 | 60.1° | 180.0° |
| H51 | C29 | C30 | H55 | 179.9° | 60.0° |
| H52 | C29 | C30 | H53 | 59.9° | 60.0° |
| H52 | C29 | C30 | H54 | 180.0° | 59.9° |
| H52 | C29 | C30 | H55 | 60.0° | 180.0° |
| H53 | C30 | H54 | H55 | 120.0° | 120.0° |
| H56 | C31 | C32 | H58 | 101.2° | 180.0° |
| H56 | C31 | C32 | H59 | 18.7° | 60.0° |
| H57 | C31 | C32 | H58 | 138.7° | 60.0° |
| H57 | C31 | C32 | H59 | 101.4° | 180.0° |
| H58 | C32 | C33 | H60 | 155.6° | 180.0° |
| H58 | C32 | C33 | H61 | 84.5° | 60.0° |
| H59 | C32 | C33 | H60 | 35.7° | 60.1° |
| H59 | C32 | C33 | H61 | 155.6° | 179.9° |
| H60 | C33 | C34 | H62 | 151.6° | 180.0° |
| H60 | C33 | C34 | H63 | 88.2° | 60.0° |
| H61 | C33 | C34 | H62 | 31.7° | 60.0° |
| H61 | C33 | C34 | H63 | 151.9° | 180.0° |
| H62 | C34 | C35 | H64 | 106.7° | 180.0° |
| H62 | C34 | C35 | H65 | 13.3° | 60.0° |
| H63 | C34 | C35 | H64 | 133.1° | 60.1° |
| H63 | C34 | C35 | H65 | 106.9° | 179.9° |
| H64 | C35 | C36 | H66 | 14.7° | 180.0° |
| H64 | C35 | C36 | H67 | 105.4° | 60.0° |
| H65 | C35 | C36 | H66 | 105.3° | 59.9° |
| H65 | C35 | C36 | H67 | 134.6° | 180.0° |
| H66 | C36 | C37 | H68 | 163.4° | 180.0° |
| H66 | C36 | C37 | H69 | 76.7° | 60.0° |
| H67 | C36 | C37 | H68 | 43.2° | 60.0° |
| H67 | C36 | C37 | H69 | 163.1° | 180.0° |
| H68 | C37 | C38 | H70 | 84.1° | 180.0° |
| H68 | C37 | C38 | H71 | 156.0° | 60.0° |
| H69 | C37 | C38 | H70 | 35.8° | 60.1° |
| H69 | C37 | C38 | H71 | 84.1° | 180.0° |
| H70 | C38 | C39 | H72 | 178.3° | 180.0° |
| H70 | C38 | C39 | H73 | 61.6° | 60.0° |
| H71 | C38 | C39 | H72 | 58.4° | 60.0° |
| H71 | C38 | C39 | H73 | 178.5° | 180.0° |
| H72 | C39 | C40 | H74 | 158.9° | 180.0° |
| H72 | C39 | C40 | H75 | 81.2° | 60.0° |
| H73 | C39 | C40 | H74 | 38.8° | 60.0° |
| H73 | C39 | C40 | H75 | 158.6° | 180.0° |
| H74 | C40 | C41 | H76 | 24.2° | 180.0° |
| H74 | C40 | C41 | H77 | 144.2° | 60.0° |
| H75 | C40 | C41 | H76 | 144.1° | 60.0° |
| H75 | C40 | C41 | H77 | 95.9° | 180.0° |
| H76 | C41 | C42 | H79 | 144.7° | 180.0° |
| H76 | C41 | C42 | H80 | 95.4° | 59.9° |
| H77 | C41 | C42 | H79 | 24.7° | 60.0° |
| H77 | C41 | C42 | H80 | 144.6° | 180.0° |
| H79 | C42 | C43 | H82 | 86.0° | 180.0° |
| H79 | C42 | C43 | H83 | 153.9° | 60.0° |
| H80 | C42 | C43 | H82 | 154.2° | 60.0° |
| H80 | C42 | C43 | H83 | 34.1° | 180.0° |
| H82 | C43 | C44 | H84 | 13.5° | 180.0° |
| H82 | C43 | C44 | H85 | 133.3° | 60.1° |
| H83 | C43 | C44 | H84 | 133.7° | 60.0° |
| H83 | C43 | C44 | H85 | 106.6° | 179.9° |
| H84 | C44 | C45 | H86 | 166.1° | 180.0° |
| H84 | C44 | C45 | H87 | 74.1° | 60.0° |
| H85 | C44 | C45 | H86 | 74.1° | 60.0° |
| H85 | C44 | C45 | H87 | 45.7° | 179.9° |
| H86 | C45 | C46 | H88 | 169.1° | 180.0° |
| H86 | C45 | C46 | H89 | 49.2° | 60.1° |
| H87 | C45 | C46 | H88 | 71.0° | 60.1° |
| H87 | C45 | C46 | H89 | 169.0° | 180.0° |
| H88 | C46 | C47 | H90 | 60.0° | 60.0° |
| H88 | C46 | C47 | H91 | NaN° | 180.0° |
| H88 | C46 | C47 | H92 | 60.0° | 60.0° |
| H89 | C46 | C47 | H90 | 60.0° | 59.9° |
| H89 | C46 | C47 | H91 | 60.0° | 60.0° |
| H89 | C46 | C47 | H92 | 180.0° | 179.9° |
| H90 | C47 | H91 | H92 | 120.0° | 120.0° |
