A1E5V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C34 | sing | 1.53Å | 1.51Å | |
| C34 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| O36 | C26 | doub | 1.21Å | 1.20Å | |
| C27 | C26 | sing | 1.51Å | 1.50Å | |
| O37 | C23 | sing | 1.43Å | 1.42Å | |
| C26 | O25 | sing | 1.34Å | 1.34Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| O25 | C24 | sing | 1.45Å | 1.45Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C24 | C19 | sing | 1.53Å | 1.52Å | |
| O38 | C22 | sing | 1.43Å | 1.42Å | |
| O41 | P16 | doub | 1.48Å | 1.48Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C53 | C52 | sing | 1.53Å | 1.52Å | |
| C53 | C54 | sing | 1.53Å | 1.51Å | |
| C52 | C51 | sing | 1.53Å | 1.52Å | |
| C55 | C54 | sing | 1.53Å | 1.51Å | |
| O57 | C11 | doub | 1.21Å | 1.20Å | |
| C19 | O18 | sing | 1.43Å | 1.44Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C51 | C50 | sing | 1.53Å | 1.52Å | |
| P16 | O18 | sing | 1.61Å | 1.60Å | |
| P16 | O17 | sing | 1.61Å | 1.48Å | |
| P16 | O15 | sing | 1.61Å | 1.59Å | |
| O12 | C11 | sing | 1.34Å | 1.34Å | |
| O12 | C13 | sing | 1.45Å | 1.46Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | O39 | sing | 1.43Å | 1.42Å | |
| C14 | O15 | sing | 1.43Å | 1.44Å | |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| C20 | O40 | sing | 1.43Å | 1.42Å | |
| C13 | C42 | sing | 1.53Å | 1.50Å | |
| C45 | C44 | sing | 1.51Å | 1.50Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C42 | O43 | sing | 1.45Å | 1.45Å | |
| C50 | C49 | sing | 1.53Å | 1.52Å | |
| C44 | O43 | sing | 1.34Å | 1.33Å | |
| C44 | O56 | doub | 1.21Å | 1.20Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C48 | C49 | sing | 1.53Å | 1.52Å | |
| C48 | C47 | sing | 1.53Å | 1.51Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| O17 | H31 | sing | 0.97Å | 0.95Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| C34 | H46 | sing | 1.09Å | 1.10Å | |
| C34 | H47 | sing | 1.09Å | 1.10Å | |
| C35 | H48 | sing | 1.09Å | 1.10Å | |
| C35 | H49 | sing | 1.09Å | 1.10Å | |
| C35 | H50 | sing | 1.09Å | 1.10Å | |
| O37 | H51 | sing | 0.97Å | 0.95Å | |
| O38 | H52 | sing | 0.97Å | 0.95Å | |
| O39 | H53 | sing | 0.97Å | 0.95Å | |
| O40 | H54 | sing | 0.97Å | 0.95Å | |
| C42 | H55 | sing | 1.09Å | 1.10Å | |
| C42 | H56 | sing | 1.09Å | 1.10Å | |
| C45 | H57 | sing | 1.09Å | 1.10Å | |
| C45 | H58 | sing | 1.09Å | 1.10Å | |
| C46 | H59 | sing | 1.09Å | 1.10Å | |
| C46 | H60 | sing | 1.09Å | 1.10Å | |
| C47 | H61 | sing | 1.09Å | 1.10Å | |
| C47 | H62 | sing | 1.09Å | 1.10Å | |
| C48 | H63 | sing | 1.09Å | 1.10Å | |
| C48 | H64 | sing | 1.09Å | 1.10Å | |
| C49 | H65 | sing | 1.09Å | 1.10Å | |
| C49 | H66 | sing | 1.09Å | 1.10Å | |
| C50 | H67 | sing | 1.09Å | 1.10Å | |
| C50 | H68 | sing | 1.09Å | 1.10Å | |
| C51 | H69 | sing | 1.09Å | 1.10Å | |
| C51 | H70 | sing | 1.09Å | 1.10Å | |
| C52 | H71 | sing | 1.09Å | 1.10Å | |
| C52 | H72 | sing | 1.09Å | 1.10Å | |
| C53 | H73 | sing | 1.09Å | 1.10Å | |
| C53 | H74 | sing | 1.09Å | 1.10Å | |
| C54 | H75 | sing | 1.09Å | 1.10Å | |
| C54 | H76 | sing | 1.09Å | 1.10Å | |
| C55 | H77 | sing | 1.09Å | 1.10Å | |
| C55 | H78 | sing | 1.09Å | 1.10Å | |
| C55 | H79 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C34 | C33 | 113.2° | 109.5° |
| C35 | C34 | H46 | 108.5° | 109.5° |
| C35 | C34 | H47 | 108.5° | 109.5° |
| C34 | C35 | H48 | 109.5° | 109.4° |
| C34 | C35 | H49 | 109.5° | 109.5° |
| C34 | C35 | H50 | 109.5° | 109.5° |
| C34 | C33 | C32 | 114.0° | 109.5° |
| C34 | C33 | H44 | 108.3° | 109.5° |
| C34 | C33 | H45 | 108.3° | 109.4° |
| C33 | C34 | H46 | 108.5° | 109.5° |
| C33 | C34 | H47 | 108.5° | 109.4° |
| C33 | C32 | C31 | 114.0° | 109.5° |
| C33 | C32 | H42 | 108.3° | 109.5° |
| C33 | C32 | H43 | 108.3° | 109.4° |
| C32 | C33 | H44 | 108.3° | 109.5° |
| C32 | C33 | H45 | 108.3° | 109.5° |
| C32 | C31 | C30 | 113.9° | 109.5° |
| C32 | C31 | H40 | 108.4° | 109.4° |
| C32 | C31 | H41 | 108.4° | 109.5° |
| C31 | C32 | H42 | 108.3° | 109.5° |
| C31 | C32 | H43 | 108.3° | 109.5° |
| C31 | C30 | C29 | 113.8° | 109.4° |
| C31 | C30 | H38 | 108.4° | 109.5° |
| C31 | C30 | H39 | 108.4° | 109.4° |
| C30 | C31 | H40 | 108.4° | 109.5° |
| C30 | C31 | H41 | 108.4° | 109.5° |
| C27 | C28 | C29 | 112.7° | 109.4° |
| C28 | C27 | C26 | 111.7° | 109.5° |
| C27 | C28 | H18 | 108.6° | 109.5° |
| C27 | C28 | H19 | 108.7° | 109.4° |
| C28 | C27 | H34 | 108.9° | 109.5° |
| C28 | C27 | H35 | 108.9° | 109.4° |
| C28 | C29 | C30 | 113.8° | 109.4° |
| C29 | C28 | H18 | 108.7° | 109.5° |
| C29 | C28 | H19 | 108.7° | 109.5° |
| C28 | C29 | H36 | 108.4° | 109.5° |
| C28 | C29 | H37 | 108.4° | 109.4° |
| O36 | C26 | C27 | 124.5° | 120.0° |
| O36 | C26 | O25 | 123.9° | 120.0° |
| C27 | C26 | O25 | 111.6° | 120.0° |
| C26 | C27 | H34 | 108.9° | 109.5° |
| C26 | C27 | H35 | 108.9° | 109.5° |
| O37 | C23 | C24 | 110.7° | 109.5° |
| O37 | C23 | C22 | 109.8° | 109.4° |
| O37 | C23 | H33 | 109.7° | 109.5° |
| C23 | O37 | H51 | 109.5° | 114.0° |
| C26 | O25 | C24 | 117.3° | 117.0° |
| C30 | C29 | H36 | 108.4° | 109.5° |
| C30 | C29 | H37 | 108.4° | 109.5° |
| C29 | C30 | H38 | 108.4° | 109.5° |
| C29 | C30 | H39 | 108.4° | 109.5° |
| O25 | C24 | C23 | 108.4° | 109.4° |
| O25 | C24 | C19 | 107.9° | 109.4° |
| O25 | C24 | H17 | 109.3° | 109.4° |
| C24 | C23 | C22 | 109.9° | 109.5° |
| C23 | C24 | C19 | 114.6° | 109.5° |
| C23 | C24 | H17 | 108.3° | 109.5° |
| C24 | C23 | H33 | 108.3° | 109.4° |
| C23 | C22 | O38 | 110.5° | 109.5° |
| C23 | C22 | C21 | 109.5° | 109.5° |
| C23 | C22 | H16 | 108.4° | 109.5° |
| C22 | C23 | H33 | 108.4° | 109.5° |
| C24 | C19 | O18 | 107.5° | 109.5° |
| C24 | C19 | C20 | 115.9° | 109.5° |
| C19 | C24 | H17 | 108.3° | 109.5° |
| C24 | C19 | H32 | 108.8° | 109.4° |
| O38 | C22 | C21 | 110.4° | 109.5° |
| O38 | C22 | H16 | 109.7° | 109.5° |
| C22 | O38 | H52 | 109.5° | 114.0° |
| O41 | P16 | O18 | 109.9° | 109.5° |
| O41 | P16 | O17 | 119.4° | 109.4° |
| O41 | P16 | O15 | 107.5° | 109.5° |
| C22 | C21 | C20 | 110.3° | 109.5° |
| C22 | C21 | O39 | 109.9° | 109.5° |
| C22 | C21 | H15 | 108.6° | 109.4° |
| C21 | C22 | H16 | 108.4° | 109.4° |
| C52 | C53 | C54 | 114.3° | 109.5° |
| C53 | C52 | C51 | 113.9° | 109.5° |
| C53 | C52 | H71 | 108.3° | 109.4° |
| C53 | C52 | H72 | 108.3° | 109.5° |
| C52 | C53 | H73 | 108.2° | 109.4° |
| C52 | C53 | H74 | 108.2° | 109.5° |
| C53 | C54 | C55 | 112.8° | 109.5° |
| C54 | C53 | H73 | 108.2° | 109.5° |
| C54 | C53 | H74 | 108.2° | 109.5° |
| C53 | C54 | H75 | 108.6° | 109.5° |
| C53 | C54 | H76 | 108.6° | 109.5° |
| C52 | C51 | C50 | 113.6° | 109.5° |
| C52 | C51 | H69 | 108.4° | 109.4° |
| C52 | C51 | H70 | 108.4° | 109.5° |
| C51 | C52 | H71 | 108.4° | 109.4° |
| C51 | C52 | H72 | 108.4° | 109.5° |
| C55 | C54 | H75 | 108.6° | 109.5° |
| C55 | C54 | H76 | 108.7° | 109.5° |
| C54 | C55 | H77 | 109.5° | 109.5° |
| C54 | C55 | H78 | 109.5° | 109.4° |
| C54 | C55 | H79 | 109.4° | 109.5° |
| O57 | C11 | O12 | 123.6° | 120.0° |
| O57 | C11 | C10 | 124.2° | 120.0° |
| O18 | C19 | C20 | 106.0° | 109.5° |
| C19 | O18 | P16 | 122.9° | 123.1° |
| O18 | C19 | H32 | 109.8° | 109.4° |
| C19 | C20 | C21 | 112.2° | 109.5° |
| C19 | C20 | O40 | 109.3° | 109.5° |
| C19 | C20 | H14 | 108.0° | 109.4° |
| C20 | C19 | H32 | 108.8° | 109.5° |
| C51 | C50 | C49 | 114.1° | 109.5° |
| C51 | C50 | H67 | 108.3° | 109.4° |
| C51 | C50 | H68 | 108.3° | 109.5° |
| C50 | C51 | H69 | 108.4° | 109.4° |
| C50 | C51 | H70 | 108.4° | 109.5° |
| O18 | P16 | O17 | 105.8° | 109.5° |
| O18 | P16 | O15 | 102.2° | 109.5° |
| O17 | P16 | O15 | 110.6° | 109.5° |
| P16 | O17 | H31 | 109.5° | 114.0° |
| P16 | O15 | C14 | 118.3° | 123.0° |
| C11 | O12 | C13 | 119.1° | 117.0° |
| O12 | C11 | C10 | 112.2° | 120.0° |
| O12 | C13 | C14 | 107.7° | 109.4° |
| O12 | C13 | C42 | 106.8° | 109.5° |
| O12 | C13 | H13 | 110.7° | 109.5° |
| C11 | C10 | C9 | 113.0° | 109.5° |
| C11 | C10 | H11 | 108.6° | 109.5° |
| C11 | C10 | H12 | 108.6° | 109.5° |
| C20 | C21 | O39 | 109.7° | 109.5° |
| C21 | C20 | O40 | 109.7° | 109.5° |
| C21 | C20 | H14 | 108.1° | 109.4° |
| C20 | C21 | H15 | 108.5° | 109.5° |
| O39 | C21 | H15 | 109.8° | 109.5° |
| C21 | O39 | H53 | 109.5° | 114.0° |
| O15 | C14 | C13 | 109.3° | 109.5° |
| O15 | C14 | H29 | 109.5° | 109.5° |
| O15 | C14 | H30 | 109.5° | 109.5° |
| C14 | C13 | C42 | 111.2° | 109.5° |
| C14 | C13 | H13 | 110.1° | 109.4° |
| C13 | C14 | H29 | 109.5° | 109.5° |
| C13 | C14 | H30 | 109.5° | 109.4° |
| O40 | C20 | H14 | 109.4° | 109.5° |
| C20 | O40 | H54 | 109.5° | 113.9° |
| C13 | C42 | O43 | 110.1° | 109.5° |
| C42 | C13 | H13 | 110.2° | 109.5° |
| C13 | C42 | H55 | 109.3° | 109.4° |
| C13 | C42 | H56 | 109.3° | 109.5° |
| C44 | C45 | C46 | 113.4° | 109.5° |
| C45 | C44 | O43 | 111.3° | 120.0° |
| C45 | C44 | O56 | 124.9° | 120.0° |
| C44 | C45 | H57 | 108.5° | 109.5° |
| C44 | C45 | H58 | 108.5° | 109.5° |
| C45 | C46 | C47 | 113.0° | 109.5° |
| C46 | C45 | H57 | 108.5° | 109.5° |
| C46 | C45 | H58 | 108.5° | 109.4° |
| C45 | C46 | H59 | 108.6° | 109.5° |
| C45 | C46 | H60 | 108.6° | 109.4° |
| C42 | O43 | C44 | 116.6° | 117.0° |
| O43 | C42 | H55 | 109.3° | 109.5° |
| O43 | C42 | H56 | 109.3° | 109.5° |
| C50 | C49 | C48 | 113.5° | 109.4° |
| C50 | C49 | H65 | 108.4° | 109.5° |
| C50 | C49 | H66 | 108.4° | 109.4° |
| C49 | C50 | H67 | 108.3° | 109.5° |
| C49 | C50 | H68 | 108.3° | 109.5° |
| O43 | C44 | O56 | 123.8° | 120.0° |
| C10 | C9 | C8 | 113.0° | 109.5° |
| C9 | C10 | H11 | 108.6° | 109.5° |
| C9 | C10 | H12 | 108.6° | 109.5° |
| C10 | C9 | H27 | 108.6° | 109.5° |
| C10 | C9 | H28 | 108.6° | 109.5° |
| C9 | C8 | C7 | 113.8° | 109.5° |
| C9 | C8 | H9 | 108.4° | 109.5° |
| C9 | C8 | H10 | 108.4° | 109.5° |
| C8 | C9 | H27 | 108.6° | 109.5° |
| C8 | C9 | H28 | 108.6° | 109.5° |
| C8 | C7 | C6 | 113.5° | 109.4° |
| C8 | C7 | H7 | 108.5° | 109.4° |
| C8 | C7 | H8 | 108.4° | 109.5° |
| C7 | C8 | H9 | 108.4° | 109.4° |
| C7 | C8 | H10 | 108.4° | 109.5° |
| C49 | C48 | C47 | 113.7° | 109.5° |
| C49 | C48 | H63 | 108.4° | 109.5° |
| C49 | C48 | H64 | 108.4° | 109.5° |
| C48 | C49 | H65 | 108.4° | 109.4° |
| C48 | C49 | H66 | 108.5° | 109.5° |
| C48 | C47 | C46 | 113.7° | 109.5° |
| C48 | C47 | H61 | 108.4° | 109.4° |
| C48 | C47 | H62 | 108.4° | 109.4° |
| C47 | C48 | H63 | 108.4° | 109.4° |
| C47 | C48 | H64 | 108.4° | 109.4° |
| C47 | C46 | H59 | 108.6° | 109.5° |
| C47 | C46 | H60 | 108.6° | 109.5° |
| C46 | C47 | H61 | 108.4° | 109.6° |
| C46 | C47 | H62 | 108.4° | 109.5° |
| C7 | C6 | C5 | 113.9° | 109.4° |
| C7 | C6 | H5 | 108.4° | 109.5° |
| C7 | C6 | H6 | 108.4° | 109.5° |
| C6 | C7 | H7 | 108.5° | 109.5° |
| C6 | C7 | H8 | 108.5° | 109.5° |
| C6 | C5 | C4 | 113.7° | 109.4° |
| C6 | C5 | H3 | 108.4° | 109.5° |
| C6 | C5 | H4 | 108.4° | 109.5° |
| C5 | C6 | H5 | 108.3° | 109.5° |
| C5 | C6 | H6 | 108.3° | 109.5° |
| C5 | C4 | C3 | 113.8° | 109.5° |
| C5 | C4 | H1 | 108.4° | 109.5° |
| C5 | C4 | H2 | 108.4° | 109.5° |
| C4 | C5 | H3 | 108.4° | 109.5° |
| C4 | C5 | H4 | 108.4° | 109.5° |
| C4 | C3 | C2 | 114.0° | 109.5° |
| C3 | C4 | H1 | 108.4° | 109.5° |
| C3 | C4 | H2 | 108.4° | 109.5° |
| C4 | C3 | H25 | 108.3° | 109.5° |
| C4 | C3 | H26 | 108.3° | 109.4° |
| C3 | C2 | C1 | 113.2° | 109.4° |
| C3 | C2 | H23 | 108.5° | 109.4° |
| C3 | C2 | H24 | 108.5° | 109.5° |
| C2 | C3 | H25 | 108.3° | 109.5° |
| C2 | C3 | H26 | 108.3° | 109.5° |
| C2 | C1 | H20 | 109.5° | 109.5° |
| C2 | C1 | H21 | 109.5° | 109.5° |
| C2 | C1 | H22 | 109.5° | 109.4° |
| C1 | C2 | H23 | 108.5° | 109.5° |
| C1 | C2 | H24 | 108.5° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.4° |
| H3 | C5 | H4 | 109.5° | 109.4° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.4° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H18 | C28 | H19 | 109.5° | 109.5° |
| H20 | C1 | H21 | 109.4° | 109.5° |
| H20 | C1 | H22 | 109.5° | 109.5° |
| H21 | C1 | H22 | 109.5° | 109.4° |
| H23 | C2 | H24 | 109.5° | 109.5° |
| H25 | C3 | H26 | 109.5° | 109.5° |
| H27 | C9 | H28 | 109.5° | 109.4° |
| H29 | C14 | H30 | 109.5° | 109.4° |
| H34 | C27 | H35 | 109.4° | 109.5° |
| H36 | C29 | H37 | 109.5° | 109.5° |
| H38 | C30 | H39 | 109.5° | 109.5° |
| H40 | C31 | H41 | 109.5° | 109.4° |
| H42 | C32 | H43 | 109.5° | 109.4° |
| H44 | C33 | H45 | 109.5° | 109.5° |
| H46 | C34 | H47 | 109.5° | 109.5° |
| H48 | C35 | H49 | 109.5° | 109.5° |
| H48 | C35 | H50 | 109.5° | 109.4° |
| H49 | C35 | H50 | 109.5° | 109.5° |
| H55 | C42 | H56 | 109.5° | 109.5° |
| H57 | C45 | H58 | 109.4° | 109.4° |
| H59 | C46 | H60 | 109.5° | 109.5° |
| H61 | C47 | H62 | 109.5° | 109.5° |
| H63 | C48 | H64 | 109.5° | 109.5° |
| H65 | C49 | H66 | 109.5° | 109.5° |
| H67 | C50 | H68 | 109.5° | 109.5° |
| H69 | C51 | H70 | 109.5° | 109.5° |
| H71 | C52 | H72 | 109.5° | 109.5° |
| H73 | C53 | H74 | 109.5° | 109.5° |
| H75 | C54 | H76 | 109.4° | 109.4° |
| H77 | C55 | H78 | 109.4° | 109.4° |
| H77 | C55 | H79 | 109.5° | 109.5° |
| H78 | C55 | H79 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C34 | C33 | H46 | 120.6° | 120.0° |
| C35 | C34 | C33 | H47 | 120.6° | 120.0° |
| C35 | C34 | C33 | C32 | 161.3° | NaN° |
| C35 | C34 | C33 | H44 | 40.7° | 60.0° |
| C35 | C34 | C33 | H45 | 78.0° | 60.0° |
| C35 | C34 | H46 | H47 | 118.3° | 120.0° |
| C34 | C35 | H48 | H49 | 120.0° | 120.0° |
| C34 | C35 | H48 | H50 | 120.0° | 119.9° |
| C34 | C35 | H49 | H50 | 120.0° | 120.1° |
| C34 | C33 | C32 | H44 | 120.7° | 120.0° |
| C34 | C33 | C32 | H45 | 120.7° | 120.0° |
| C34 | C33 | C32 | C31 | 47.2° | 180.0° |
| C34 | C33 | C32 | H42 | 167.8° | 60.0° |
| C34 | C33 | C32 | H43 | 73.5° | 60.0° |
| C34 | C33 | H44 | H45 | 117.9° | 120.0° |
| C33 | C34 | H46 | H47 | 118.3° | 120.0° |
| C33 | C34 | C35 | H48 | 180.0° | 60.0° |
| C33 | C34 | C35 | H49 | 60.0° | 180.0° |
| C33 | C34 | C35 | H50 | 60.0° | 59.9° |
| C33 | C32 | C31 | H42 | 120.7° | 120.0° |
| C33 | C32 | C31 | H43 | 120.7° | 120.0° |
| C33 | C32 | C31 | C30 | 147.5° | 180.0° |
| C33 | C32 | C31 | H40 | 26.8° | 59.9° |
| C33 | C32 | C31 | H41 | 91.8° | 60.0° |
| C33 | C32 | H42 | H43 | 118.0° | 119.9° |
| C32 | C33 | H44 | H45 | 117.9° | 120.0° |
| C32 | C33 | C34 | H46 | 78.1° | 60.0° |
| C32 | C33 | C34 | H47 | 40.8° | 60.0° |
| C32 | C31 | C30 | H40 | 120.7° | 120.0° |
| C32 | C31 | C30 | H41 | 120.6° | 120.0° |
| C32 | C31 | C30 | C29 | 95.1° | 180.0° |
| C32 | C31 | C30 | H38 | 144.3° | 60.0° |
| C32 | C31 | C30 | H39 | 25.5° | 60.0° |
| C32 | C31 | H40 | H41 | 118.0° | 119.9° |
| C31 | C32 | H42 | H43 | 117.9° | 120.0° |
| C31 | C32 | C33 | H44 | 73.5° | 60.0° |
| C31 | C32 | C33 | H45 | 167.9° | 60.0° |
| C31 | C30 | C29 | C28 | 39.2° | 180.0° |
| C31 | C30 | C29 | H38 | 120.6° | 120.0° |
| C31 | C30 | C29 | H39 | 120.6° | 120.0° |
| C31 | C30 | C29 | H36 | 81.4° | 60.0° |
| C31 | C30 | C29 | H37 | 159.8° | 60.1° |
| C31 | C30 | H38 | H39 | 118.0° | 120.0° |
| C30 | C31 | H40 | H41 | 118.0° | 120.0° |
| C30 | C31 | C32 | H42 | 91.8° | 60.0° |
| C30 | C31 | C32 | H43 | 26.8° | 60.0° |
| C27 | C28 | C29 | H18 | 120.5° | 120.0° |
| C27 | C28 | C29 | H19 | 120.5° | 119.9° |
| C28 | C27 | C26 | O36 | 32.4° | 0.0° |
| C28 | C27 | C26 | H34 | 120.3° | 120.0° |
| C28 | C27 | C26 | H35 | 120.3° | 120.0° |
| C28 | C27 | C26 | O25 | 147.6° | 180.0° |
| C27 | C28 | C29 | C30 | 127.2° | 180.0° |
| C27 | C28 | H18 | H19 | 118.5° | 120.0° |
| C28 | C27 | H34 | H35 | 119.0° | 120.0° |
| C27 | C28 | C29 | H36 | 112.2° | 60.0° |
| C27 | C28 | C29 | H37 | 6.5° | 60.0° |
| C29 | C28 | C27 | C26 | 64.2° | 180.0° |
| C28 | C29 | C30 | H36 | 120.7° | 120.0° |
| C28 | C29 | C30 | H37 | 120.6° | 119.9° |
| C29 | C28 | H18 | H19 | 118.5° | 120.0° |
| C29 | C28 | C27 | H34 | 56.1° | 60.0° |
| C29 | C28 | C27 | H35 | 175.4° | 60.0° |
| C28 | C29 | H36 | H37 | 118.0° | 120.0° |
| C28 | C29 | C30 | H38 | 81.4° | 60.0° |
| C28 | C29 | C30 | H39 | 159.9° | 60.0° |
| O36 | C26 | C27 | O25 | 180.0° | 180.0° |
| O36 | C26 | O25 | C24 | 2.4° | 0.0° |
| O36 | C26 | C27 | H34 | 152.7° | 120.0° |
| O36 | C26 | C27 | H35 | 87.9° | 119.9° |
| C27 | C26 | O25 | C24 | 177.5° | 180.0° |
| C26 | C27 | C28 | H18 | 56.2° | 60.0° |
| C26 | C27 | C28 | H19 | 175.3° | 60.0° |
| C26 | C27 | H34 | H35 | 119.0° | 120.0° |
| O37 | C23 | C24 | O25 | 49.4° | 60.0° |
| O37 | C23 | C24 | C22 | 121.4° | 120.0° |
| O37 | C23 | C24 | H33 | 120.3° | 120.1° |
| O37 | C23 | C22 | H33 | 119.8° | 120.0° |
| O37 | C23 | C24 | C19 | 170.0° | 179.9° |
| O37 | C23 | C22 | O38 | 54.9° | 60.0° |
| O37 | C23 | C22 | C21 | 176.7° | 180.0° |
| O37 | C23 | C22 | H16 | 65.3° | 60.0° |
| O37 | C23 | C24 | H17 | 69.1° | 60.0° |
| C26 | O25 | C24 | C23 | 116.2° | 90.0° |
| C26 | O25 | C24 | C19 | 119.1° | 150.0° |
| C26 | O25 | C24 | H17 | 1.6° | 30.0° |
| O25 | C26 | C27 | H34 | 27.2° | 60.0° |
| O25 | C26 | C27 | H35 | 92.1° | 60.0° |
| C30 | C29 | C28 | H18 | 6.7° | 60.0° |
| C30 | C29 | C28 | H19 | 112.3° | 60.0° |
| C30 | C29 | H36 | H37 | 118.0° | 120.1° |
| C29 | C30 | H38 | H39 | 118.0° | 120.1° |
| C29 | C30 | C31 | H40 | 25.5° | 60.0° |
| C29 | C30 | C31 | H41 | 144.2° | 60.0° |
| O25 | C24 | C23 | C19 | 120.5° | 120.0° |
| O25 | C24 | C23 | H17 | 118.5° | 119.9° |
| O25 | C24 | C23 | C22 | 72.0° | 60.0° |
| O25 | C24 | C19 | H17 | 118.2° | 119.9° |
| O25 | C24 | C19 | O18 | 36.6° | 60.0° |
| O25 | C24 | C19 | C20 | 81.7° | 60.0° |
| O25 | C24 | C19 | H32 | 155.5° | 180.0° |
| O25 | C24 | C23 | H33 | 169.7° | 180.0° |
| C24 | C23 | C22 | H33 | 118.3° | 120.0° |
| C23 | C24 | C19 | H17 | 121.0° | 120.1° |
| C24 | C23 | C22 | O38 | 176.8° | 180.0° |
| C24 | C23 | C22 | C21 | 61.4° | 60.0° |
| C23 | C24 | C19 | O18 | 157.5° | 180.0° |
| C23 | C24 | C19 | C20 | 39.2° | 60.0° |
| C24 | C23 | C22 | H16 | 56.7° | 60.0° |
| C23 | C24 | C19 | H32 | 83.7° | 60.1° |
| C24 | C23 | O37 | H51 | 180.0° | 180.0° |
| C22 | C23 | C24 | C19 | 48.6° | 60.0° |
| C23 | C22 | O38 | C21 | 121.2° | 120.0° |
| C23 | C22 | O38 | H16 | 119.4° | 120.1° |
| C23 | C22 | C21 | H16 | 118.0° | 120.0° |
| C23 | C22 | C21 | C20 | 64.7° | 60.0° |
| C23 | C22 | C21 | O39 | 174.2° | 180.0° |
| C23 | C22 | C21 | H15 | 54.1° | 60.0° |
| C22 | C23 | C24 | H17 | 169.5° | 179.9° |
| C22 | C23 | O37 | H51 | 58.5° | 60.0° |
| C23 | C22 | O38 | H52 | 180.0° | 180.0° |
| C24 | C19 | O18 | C20 | 124.5° | 120.1° |
| C24 | C19 | O18 | H32 | 118.2° | 119.9° |
| C24 | C19 | C20 | H32 | 122.8° | 120.0° |
| C24 | C19 | O18 | P16 | 91.3° | 120.0° |
| C24 | C19 | C20 | C21 | 41.1° | 59.9° |
| C24 | C19 | C20 | O40 | 163.0° | 180.0° |
| C24 | C19 | C20 | H14 | 78.1° | 60.0° |
| C19 | C24 | C23 | H33 | 69.8° | 60.0° |
| O38 | C22 | C21 | H16 | 120.1° | 120.0° |
| O38 | C22 | C21 | C20 | 173.5° | 180.0° |
| O38 | C22 | C21 | O39 | 52.4° | 59.9° |
| O38 | C22 | C21 | H15 | 67.7° | 60.0° |
| O38 | C22 | C23 | H33 | 64.9° | 60.0° |
| O41 | P16 | O18 | C19 | 60.0° | 55.0° |
| O41 | P16 | O18 | O17 | 130.2° | 120.0° |
| O41 | P16 | O18 | O15 | 113.9° | 120.0° |
| O41 | P16 | O17 | O15 | 125.6° | 120.0° |
| O41 | P16 | O15 | C14 | 27.4° | 55.0° |
| O41 | P16 | O17 | H31 | 0.0° | 180.0° |
| C22 | C21 | C20 | C19 | 53.4° | 59.9° |
| C22 | C21 | C20 | O39 | 121.2° | 120.1° |
| C22 | C21 | C20 | H15 | 118.8° | 120.0° |
| C22 | C21 | O39 | H15 | 119.4° | 119.9° |
| C22 | C21 | C20 | O40 | 175.1° | 180.0° |
| C22 | C21 | C20 | H14 | 65.7° | 60.0° |
| C21 | C22 | C23 | H33 | 56.9° | 60.0° |
| C21 | C22 | O38 | H52 | 58.7° | 60.0° |
| C22 | C21 | O39 | H53 | 180.0° | 60.0° |
| C52 | C53 | C54 | H73 | 120.7° | 119.9° |
| C52 | C53 | C54 | H74 | 120.7° | 120.0° |
| C53 | C52 | C51 | H71 | 120.6° | 119.9° |
| C53 | C52 | C51 | H72 | 120.7° | 120.0° |
| C52 | C53 | C54 | C55 | 160.7° | 180.0° |
| C53 | C52 | C51 | C50 | 90.2° | 180.0° |
| C53 | C52 | C51 | H69 | 149.2° | 60.1° |
| C53 | C52 | C51 | H70 | 30.4° | 59.9° |
| C53 | C52 | H71 | H72 | 118.0° | 120.0° |
| C52 | C53 | H73 | H74 | 117.8° | 120.0° |
| C52 | C53 | C54 | H75 | 40.2° | 60.0° |
| C52 | C53 | C54 | H76 | 78.8° | 60.0° |
| C54 | C53 | C52 | C51 | 105.3° | 180.0° |
| C53 | C54 | C55 | H75 | 120.5° | 120.0° |
| C53 | C54 | C55 | H76 | 120.5° | 120.0° |
| C54 | C53 | C52 | H71 | 15.3° | 60.0° |
| C54 | C53 | C52 | H72 | 134.0° | 60.0° |
| C54 | C53 | H73 | H74 | 117.8° | 120.0° |
| C53 | C54 | H75 | H76 | 118.5° | 120.0° |
| C53 | C54 | C55 | H77 | 180.0° | 180.0° |
| C53 | C54 | C55 | H78 | 60.0° | 60.0° |
| C53 | C54 | C55 | H79 | 60.0° | 60.0° |
| C52 | C51 | C50 | H69 | 120.6° | 120.0° |
| C52 | C51 | C50 | H70 | 120.6° | 120.0° |
| C52 | C51 | C50 | C49 | 120.1° | 180.0° |
| C52 | C51 | C50 | H67 | 0.6° | 60.0° |
| C52 | C51 | C50 | H68 | 119.2° | 59.9° |
| C52 | C51 | H69 | H70 | 118.1° | 120.0° |
| C51 | C52 | H71 | H72 | 118.0° | 120.0° |
| C51 | C52 | C53 | H73 | 15.4° | 60.0° |
| C51 | C52 | C53 | H74 | 133.9° | 59.9° |
| C55 | C54 | C53 | H73 | 78.6° | 60.1° |
| C55 | C54 | C53 | H74 | 40.0° | 60.0° |
| C55 | C54 | H75 | H76 | 118.5° | 120.0° |
| C54 | C55 | H77 | H78 | 120.0° | 119.9° |
| C54 | C55 | H77 | H79 | 120.0° | 120.0° |
| C54 | C55 | H78 | H79 | 120.0° | 120.0° |
| O57 | C11 | O12 | C10 | 179.1° | 179.9° |
| O57 | C11 | O12 | C13 | 176.0° | 0.1° |
| O57 | C11 | C10 | C9 | 7.0° | 0.1° |
| O57 | C11 | C10 | H11 | 113.5° | 120.0° |
| O57 | C11 | C10 | H12 | 127.5° | 120.0° |
| O18 | C19 | C20 | H32 | 118.1° | 119.9° |
| C19 | O18 | P16 | O17 | 169.8° | 65.0° |
| C19 | O18 | P16 | O15 | 53.9° | 175.0° |
| O18 | C19 | C20 | C21 | 160.2° | 180.0° |
| O18 | C19 | C20 | O40 | 77.9° | 60.0° |
| O18 | C19 | C20 | H14 | 41.0° | 60.1° |
| O18 | C19 | C24 | H17 | 81.5° | 59.9° |
| C20 | C19 | O18 | P16 | 144.2° | 119.9° |
| C19 | C20 | C21 | O40 | 121.7° | 120.0° |
| C19 | C20 | C21 | H14 | 119.1° | 119.9° |
| C19 | C20 | C21 | O39 | 174.6° | 180.0° |
| C19 | C20 | O40 | H14 | 118.1° | 120.0° |
| C19 | C20 | C21 | H15 | 65.4° | 60.0° |
| C20 | C19 | C24 | H17 | 160.2° | 179.9° |
| C19 | C20 | O40 | H54 | 180.0° | 180.0° |
| C51 | C50 | C49 | H67 | 120.7° | 119.9° |
| C51 | C50 | C49 | H68 | 120.7° | 120.0° |
| C51 | C50 | C49 | C48 | 69.0° | 180.0° |
| C51 | C50 | C49 | H65 | 51.6° | 60.1° |
| C51 | C50 | C49 | H66 | 170.4° | 60.0° |
| C51 | C50 | H67 | H68 | 117.9° | 120.0° |
| C50 | C51 | H69 | H70 | 118.1° | 120.0° |
| C50 | C51 | C52 | H71 | 30.4° | 60.1° |
| C50 | C51 | C52 | H72 | 149.1° | 60.0° |
| O18 | P16 | O17 | O15 | 109.9° | 120.0° |
| O18 | P16 | O15 | C14 | 143.0° | 175.0° |
| O18 | P16 | O17 | H31 | 124.5° | 60.0° |
| P16 | O18 | C19 | H32 | 26.8° | 0.0° |
| O17 | P16 | O15 | C14 | 104.7° | 65.0° |
| P16 | O15 | C14 | C13 | 80.0° | 180.0° |
| P16 | O15 | C14 | H29 | 160.0° | 60.0° |
| P16 | O15 | C14 | H30 | 39.9° | 60.0° |
| O15 | P16 | O17 | H31 | 125.6° | 60.0° |
| C11 | O12 | C13 | C14 | 133.6° | 150.0° |
| C11 | O12 | C13 | C42 | 106.9° | 90.0° |
| O12 | C11 | C10 | C9 | 173.9° | 180.0° |
| O12 | C11 | C10 | H11 | 65.6° | 60.0° |
| O12 | C11 | C10 | H12 | 53.4° | 60.0° |
| C11 | O12 | C13 | H13 | 13.1° | 30.1° |
| C13 | O12 | C11 | C10 | 3.1° | 180.0° |
| O12 | C13 | C14 | O15 | 84.0° | 65.0° |
| O12 | C13 | C14 | C42 | 116.7° | 120.0° |
| O12 | C13 | C14 | H13 | 120.9° | 120.0° |
| O12 | C13 | C42 | H13 | 120.3° | 120.0° |
| O12 | C13 | C42 | O43 | 135.0° | 65.0° |
| O12 | C13 | C14 | H29 | 156.1° | 55.0° |
| O12 | C13 | C14 | H30 | 36.0° | 175.0° |
| O12 | C13 | C42 | H55 | 14.9° | 175.0° |
| O12 | C13 | C42 | H56 | 104.9° | 55.0° |
| C11 | C10 | C9 | H11 | 120.5° | 120.1° |
| C11 | C10 | C9 | H12 | 120.5° | 120.0° |
| C11 | C10 | C9 | C8 | 77.2° | 180.0° |
| C11 | C10 | H11 | H12 | 118.4° | 120.0° |
| C11 | C10 | C9 | H27 | 43.3° | 59.9° |
| C11 | C10 | C9 | H28 | 162.3° | 60.0° |
| C20 | C21 | O39 | H15 | 119.2° | 120.0° |
| C21 | C20 | O40 | H14 | 118.4° | 120.0° |
| C20 | C21 | C22 | H16 | 53.3° | 60.0° |
| C21 | C20 | C19 | H32 | 81.8° | 60.1° |
| C20 | C21 | O39 | H53 | 58.6° | 180.0° |
| C21 | C20 | O40 | H54 | 56.5° | 60.0° |
| O39 | C21 | C20 | O40 | 63.7° | 60.0° |
| O39 | C21 | C20 | H14 | 55.5° | 60.1° |
| O39 | C21 | C22 | H16 | 67.7° | 60.0° |
| O15 | C14 | C13 | H29 | 120.0° | 120.0° |
| O15 | C14 | C13 | H30 | 120.0° | 120.0° |
| O15 | C14 | C13 | C42 | 159.4° | 175.0° |
| O15 | C14 | C13 | H13 | 36.9° | 55.0° |
| O15 | C14 | H29 | H30 | 120.1° | 120.0° |
| C14 | C13 | C42 | H13 | 122.4° | 120.0° |
| C14 | C13 | C42 | O43 | 17.8° | 175.0° |
| C13 | C14 | H29 | H30 | 120.1° | 119.9° |
| C14 | C13 | C42 | H55 | 102.4° | 55.0° |
| C14 | C13 | C42 | H56 | 137.8° | 65.0° |
| O40 | C20 | C21 | H15 | 56.3° | 60.0° |
| O40 | C20 | C19 | H32 | 40.2° | 60.0° |
| C13 | C42 | O43 | H55 | 120.1° | 119.9° |
| C13 | C42 | O43 | H56 | 120.1° | 120.0° |
| C13 | C42 | O43 | C44 | 169.7° | 180.0° |
| C42 | C13 | C14 | H29 | 39.4° | 65.0° |
| C42 | C13 | C14 | H30 | 80.7° | 55.0° |
| C13 | C42 | H55 | H56 | 119.7° | 120.0° |
| C44 | C45 | C46 | H57 | 120.6° | 120.1° |
| C44 | C45 | C46 | H58 | 120.6° | 120.0° |
| C45 | C44 | O43 | C42 | 0.2° | 180.0° |
| C45 | C44 | O43 | O56 | 179.7° | 180.0° |
| C44 | C45 | C46 | C47 | 119.2° | 180.0° |
| C44 | C45 | H57 | H58 | 118.2° | 120.0° |
| C44 | C45 | C46 | H59 | 1.3° | 59.9° |
| C44 | C45 | C46 | H60 | 120.2° | 60.0° |
| C46 | C45 | C44 | O43 | 113.3° | 180.0° |
| C46 | C45 | C44 | O56 | 67.0° | 0.1° |
| C45 | C46 | C47 | C48 | 37.4° | 180.0° |
| C45 | C46 | C47 | H59 | 120.5° | 120.1° |
| C45 | C46 | C47 | H60 | 120.5° | 119.9° |
| C46 | C45 | H57 | H58 | 118.2° | 119.9° |
| C45 | C46 | H59 | H60 | 118.4° | 119.9° |
| C45 | C46 | C47 | H61 | 158.0° | 60.0° |
| C45 | C46 | C47 | H62 | 83.2° | 60.1° |
| C42 | O43 | C44 | O56 | 179.4° | 0.0° |
| O43 | C42 | C13 | H13 | 104.7° | 55.0° |
| O43 | C42 | H55 | H56 | 119.7° | 120.0° |
| C50 | C49 | C48 | H65 | 120.6° | 120.0° |
| C50 | C49 | C48 | H66 | 120.6° | 120.0° |
| C50 | C49 | C48 | C47 | 157.9° | 180.0° |
| C50 | C49 | C48 | H63 | 37.3° | 60.1° |
| C50 | C49 | C48 | H64 | 81.4° | 60.0° |
| C50 | C49 | H65 | H66 | 118.1° | 120.0° |
| C49 | C50 | H67 | H68 | 117.8° | 120.0° |
| C49 | C50 | C51 | H69 | 119.3° | 60.0° |
| C49 | C50 | C51 | H70 | 0.5° | 60.0° |
| C44 | O43 | C42 | H55 | 49.6° | 60.0° |
| C44 | O43 | C42 | H56 | 70.2° | 60.0° |
| O43 | C44 | C45 | H57 | 126.1° | 60.0° |
| O43 | C44 | C45 | H58 | 7.3° | 60.0° |
| O56 | C44 | C45 | H57 | 53.6° | 120.0° |
| O56 | C44 | C45 | H58 | 172.4° | 120.0° |
| C10 | C9 | C8 | H27 | 120.5° | 120.0° |
| C10 | C9 | C8 | H28 | 120.5° | 120.0° |
| C10 | C9 | C8 | C7 | 159.5° | 180.0° |
| C10 | C9 | C8 | H9 | 38.9° | 60.0° |
| C10 | C9 | C8 | H10 | 79.8° | 60.0° |
| C9 | C10 | H11 | H12 | 118.4° | 120.0° |
| C10 | C9 | H27 | H28 | 118.4° | 120.0° |
| C9 | C8 | C7 | H9 | 120.6° | 120.0° |
| C9 | C8 | C7 | H10 | 120.7° | 120.0° |
| C9 | C8 | C7 | C6 | 77.8° | 180.0° |
| C9 | C8 | C7 | H7 | 161.5° | 60.0° |
| C9 | C8 | C7 | H8 | 42.8° | 60.0° |
| C9 | C8 | H9 | H10 | 118.0° | 120.0° |
| C8 | C9 | C10 | H11 | 162.3° | 60.0° |
| C8 | C9 | C10 | H12 | 43.3° | 60.0° |
| C8 | C9 | H27 | H28 | 118.4° | 120.0° |
| C8 | C7 | C6 | H7 | 120.6° | 119.9° |
| C8 | C7 | C6 | H8 | 120.6° | 120.0° |
| C8 | C7 | C6 | C5 | 157.3° | 180.0° |
| C8 | C7 | C6 | H5 | 36.7° | 60.0° |
| C8 | C7 | C6 | H6 | 82.1° | 60.0° |
| C8 | C7 | H7 | H8 | 118.1° | 120.0° |
| C7 | C8 | H9 | H10 | 118.0° | 120.0° |
| C7 | C8 | C9 | H27 | 79.9° | 60.0° |
| C7 | C8 | C9 | H28 | 39.0° | 60.0° |
| C49 | C48 | C47 | H63 | 120.6° | 120.0° |
| C49 | C48 | C47 | H64 | 120.6° | 120.1° |
| C49 | C48 | C47 | C46 | 129.5° | 179.9° |
| C49 | C48 | C47 | H61 | 8.9° | 60.0° |
| C49 | C48 | C47 | H62 | 109.9° | 60.0° |
| C49 | C48 | H63 | H64 | 118.1° | 120.1° |
| C48 | C49 | H65 | H66 | 118.2° | 120.1° |
| C48 | C49 | C50 | H67 | 170.3° | 60.0° |
| C48 | C49 | C50 | H68 | 51.7° | 60.0° |
| C48 | C47 | C46 | H61 | 120.6° | 120.0° |
| C48 | C47 | C46 | H62 | 120.6° | 119.9° |
| C48 | C47 | C46 | H59 | 158.0° | 60.0° |
| C48 | C47 | C46 | H60 | 83.1° | 60.1° |
| C48 | C47 | H61 | H62 | 118.1° | 119.9° |
| C47 | C48 | H63 | H64 | 118.1° | 119.9° |
| C47 | C48 | C49 | H65 | 81.5° | 60.0° |
| C47 | C48 | C49 | H66 | 37.4° | 60.0° |
| C47 | C46 | C45 | H57 | 120.2° | 59.9° |
| C47 | C46 | C45 | H58 | 1.4° | 60.0° |
| C47 | C46 | H59 | H60 | 118.4° | 120.0° |
| C46 | C47 | H61 | H62 | 118.1° | 120.0° |
| C46 | C47 | C48 | H63 | 109.9° | 60.0° |
| C46 | C47 | C48 | H64 | 8.9° | 60.0° |
| C7 | C6 | C5 | H5 | 120.6° | 120.0° |
| C7 | C6 | C5 | H6 | 120.7° | 120.0° |
| C7 | C6 | C5 | C4 | 62.3° | 180.0° |
| C7 | C6 | C5 | H3 | 58.3° | 60.0° |
| C7 | C6 | C5 | H4 | 177.1° | 60.0° |
| C7 | C6 | H5 | H6 | 118.0° | 120.0° |
| C6 | C7 | H7 | H8 | 118.2° | 120.1° |
| C6 | C7 | C8 | H9 | 42.8° | 60.0° |
| C6 | C7 | C8 | H10 | 161.5° | 60.0° |
| C6 | C5 | C4 | H3 | 120.6° | 120.1° |
| C6 | C5 | C4 | H4 | 120.6° | 120.0° |
| C6 | C5 | C4 | C3 | 140.8° | 180.0° |
| C6 | C5 | C4 | H1 | 20.2° | 60.0° |
| C6 | C5 | C4 | H2 | 98.6° | 60.0° |
| C6 | C5 | H3 | H4 | 118.1° | 120.0° |
| C5 | C6 | H5 | H6 | 118.0° | 120.0° |
| C5 | C6 | C7 | H7 | 82.1° | 60.0° |
| C5 | C6 | C7 | H8 | 36.7° | 60.1° |
| C5 | C4 | C3 | H1 | 120.7° | 120.0° |
| C5 | C4 | C3 | H2 | 120.6° | 120.0° |
| C5 | C4 | C3 | C2 | 165.9° | 179.9° |
| C5 | C4 | H1 | H2 | 118.0° | 120.0° |
| C4 | C5 | H3 | H4 | 118.1° | 120.0° |
| C4 | C5 | C6 | H5 | 177.1° | 60.0° |
| C4 | C5 | C6 | H6 | 58.4° | 60.1° |
| C5 | C4 | C3 | H25 | 45.3° | 60.0° |
| C5 | C4 | C3 | H26 | 73.4° | 60.0° |
| C4 | C3 | C2 | H25 | 120.7° | 120.0° |
| C4 | C3 | C2 | H26 | 120.7° | 119.9° |
| C4 | C3 | C2 | C1 | 135.7° | 180.0° |
| C3 | C4 | H1 | H2 | 118.0° | 120.0° |
| C3 | C4 | C5 | H3 | 98.6° | 60.0° |
| C3 | C4 | C5 | H4 | 20.2° | 60.0° |
| C4 | C3 | C2 | H23 | 15.2° | 60.1° |
| C4 | C3 | C2 | H24 | 103.7° | 60.0° |
| C4 | C3 | H25 | H26 | 117.9° | 120.0° |
| C3 | C2 | C1 | H23 | 120.6° | 119.9° |
| C3 | C2 | C1 | H24 | 120.6° | 120.0° |
| C2 | C3 | C4 | H1 | 73.4° | 59.9° |
| C2 | C3 | C4 | H2 | 45.3° | 60.0° |
| C3 | C2 | C1 | H20 | 180.0° | 60.0° |
| C3 | C2 | C1 | H21 | 60.0° | 60.1° |
| C3 | C2 | C1 | H22 | 60.0° | 180.0° |
| C3 | C2 | H23 | H24 | 118.3° | 120.0° |
| C2 | C3 | H25 | H26 | 117.9° | 120.0° |
| C2 | C1 | H20 | H21 | 120.0° | 120.0° |
| C2 | C1 | H20 | H22 | 120.0° | 120.0° |
| C2 | C1 | H21 | H22 | 120.0° | 120.0° |
| C1 | C2 | H23 | H24 | 118.3° | 120.1° |
| C1 | C2 | C3 | H25 | 103.6° | 60.0° |
| C1 | C2 | C3 | H26 | 15.1° | 60.1° |
| H1 | C4 | C5 | H3 | 140.8° | 60.0° |
| H1 | C4 | C5 | H4 | 100.5° | 180.0° |
| H1 | C4 | C3 | H25 | 165.9° | 180.0° |
| H1 | C4 | C3 | H26 | 47.3° | 60.0° |
| H2 | C4 | C5 | H3 | 22.0° | 180.0° |
| H2 | C4 | C5 | H4 | 140.8° | 60.0° |
| H2 | C4 | C3 | H25 | 75.3° | 60.0° |
| H2 | C4 | C3 | H26 | 166.0° | 180.0° |
| H3 | C5 | C6 | H5 | 62.3° | 180.0° |
| H3 | C5 | C6 | H6 | 179.0° | 60.0° |
| H4 | C5 | C6 | H5 | 56.4° | 59.9° |
| H4 | C5 | C6 | H6 | 62.2° | 180.0° |
| H5 | C6 | C7 | H7 | 157.3° | 180.0° |
| H5 | C6 | C7 | H8 | 83.9° | 59.9° |
| H6 | C6 | C7 | H7 | 38.6° | 59.9° |
| H6 | C6 | C7 | H8 | 157.3° | 180.0° |
| H7 | C7 | C8 | H9 | 77.8° | 180.0° |
| H7 | C7 | C8 | H10 | 40.9° | 60.0° |
| H8 | C7 | C8 | H9 | 163.4° | 60.0° |
| H8 | C7 | C8 | H10 | 77.9° | NaN° |
| H9 | C8 | C9 | H27 | 159.4° | 179.9° |
| H9 | C8 | C9 | H28 | 81.6° | 60.0° |
| H10 | C8 | C9 | H27 | 40.7° | 60.0° |
| H10 | C8 | C9 | H28 | 159.7° | 180.0° |
| H11 | C10 | C9 | H27 | 77.2° | 180.0° |
| H11 | C10 | C9 | H28 | 41.8° | 60.1° |
| H12 | C10 | C9 | H27 | 163.8° | 60.1° |
| H12 | C10 | C9 | H28 | 77.2° | 180.0° |
| H13 | C13 | C14 | H29 | 83.1° | 175.0° |
| H13 | C13 | C14 | H30 | 156.9° | 65.1° |
| H13 | C13 | C42 | H55 | 135.2° | 65.0° |
| H13 | C13 | C42 | H56 | 15.4° | 175.0° |
| H14 | C20 | C21 | H15 | 175.6° | 179.9° |
| H14 | C20 | C19 | H32 | 159.1° | 180.0° |
| H14 | C20 | O40 | H54 | 61.9° | 60.0° |
| H15 | C21 | C22 | H16 | 172.1° | 180.0° |
| H15 | C21 | O39 | H53 | 60.6° | 60.0° |
| H16 | C22 | C23 | H33 | 174.9° | 179.9° |
| H16 | C22 | O38 | H52 | 60.6° | 59.9° |
| H17 | C24 | C19 | H32 | 37.3° | 60.0° |
| H17 | C24 | C23 | H33 | 51.2° | 60.1° |
| H18 | C28 | C27 | H34 | 176.6° | 180.0° |
| H18 | C28 | C27 | H35 | 64.1° | 60.0° |
| H18 | C28 | C29 | H36 | 127.4° | 180.0° |
| H18 | C28 | C29 | H37 | 113.9° | 60.0° |
| H19 | C28 | C27 | H34 | 64.4° | 60.0° |
| H19 | C28 | C27 | H35 | 54.9° | 180.0° |
| H19 | C28 | C29 | H36 | 8.3° | 60.0° |
| H19 | C28 | C29 | H37 | 127.0° | 180.0° |
| H20 | C1 | H21 | H22 | 120.0° | 120.0° |
| H20 | C1 | C2 | H23 | 59.4° | 59.9° |
| H20 | C1 | C2 | H24 | 59.4° | 180.0° |
| H21 | C1 | C2 | H23 | 179.4° | 180.0° |
| H21 | C1 | C2 | H24 | 60.5° | 59.9° |
| H22 | C1 | C2 | H23 | 60.6° | 60.1° |
| H22 | C1 | C2 | H24 | 179.4° | 60.0° |
| H23 | C2 | C3 | H25 | 135.8° | 59.9° |
| H23 | C2 | C3 | H26 | 105.5° | 180.0° |
| H24 | C2 | C3 | H25 | 17.0° | 180.0° |
| H24 | C2 | C3 | H26 | 135.6° | 59.9° |
| H33 | C23 | O37 | H51 | 60.5° | 59.9° |
| H36 | C29 | C30 | H38 | 157.9° | 180.0° |
| H36 | C29 | C30 | H39 | 39.2° | 60.0° |
| H37 | C29 | C30 | H38 | 39.2° | 59.9° |
| H37 | C29 | C30 | H39 | 79.5° | 180.0° |
| H38 | C30 | C31 | H40 | 95.1° | 180.0° |
| H38 | C30 | C31 | H41 | 23.6° | 60.0° |
| H39 | C30 | C31 | H40 | 146.2° | 60.0° |
| H39 | C30 | C31 | H41 | 95.1° | 180.0° |
| H40 | C31 | C32 | H42 | 147.5° | 180.0° |
| H40 | C31 | C32 | H43 | 93.8° | 60.1° |
| H41 | C31 | C32 | H42 | 28.8° | 60.0° |
| H41 | C31 | C32 | H43 | 147.5° | 180.0° |
| H42 | C32 | C33 | H44 | 47.2° | NaN° |
| H42 | C32 | C33 | H45 | 71.5° | 60.0° |
| H43 | C32 | C33 | H44 | 165.9° | 60.1° |
| H43 | C32 | C33 | H45 | 47.2° | 179.9° |
| H44 | C33 | C34 | H46 | 161.2° | 180.0° |
| H44 | C33 | C34 | H47 | 79.9° | 60.0° |
| H45 | C33 | C34 | H46 | 42.6° | 60.0° |
| H45 | C33 | C34 | H47 | 161.5° | 180.0° |
| H46 | C34 | C35 | H48 | 59.5° | 60.0° |
| H46 | C34 | C35 | H49 | 60.6° | 60.0° |
| H46 | C34 | C35 | H50 | 179.4° | 179.9° |
| H47 | C34 | C35 | H48 | 59.4° | 179.9° |
| H47 | C34 | C35 | H49 | 179.5° | 60.1° |
| H47 | C34 | C35 | H50 | 60.5° | 60.0° |
| H48 | C35 | H49 | H50 | 120.0° | 119.9° |
| H57 | C45 | C46 | H59 | 119.3° | 180.0° |
| H57 | C45 | C46 | H60 | 0.4° | 60.0° |
| H58 | C45 | C46 | H59 | 121.9° | 60.1° |
| H58 | C45 | C46 | H60 | 119.1° | 179.9° |
| H59 | C46 | C47 | H61 | 81.4° | 180.0° |
| H59 | C46 | C47 | H62 | 37.3° | 60.0° |
| H60 | C46 | C47 | H61 | 37.5° | 59.9° |
| H60 | C46 | C47 | H62 | 156.3° | NaN° |
| H61 | C47 | C48 | H63 | 129.5° | 180.0° |
| H61 | C47 | C48 | H64 | 111.7° | 60.1° |
| H62 | C47 | C48 | H63 | 10.7° | 60.0° |
| H62 | C47 | C48 | H64 | 129.5° | 179.9° |
| H63 | C48 | C49 | H65 | 157.9° | 180.0° |
| H63 | C48 | C49 | H66 | 83.3° | 59.9° |
| H64 | C48 | C49 | H65 | 39.1° | 60.0° |
| H64 | C48 | C49 | H66 | 158.0° | 180.0° |
| H65 | C49 | C50 | H67 | 69.1° | 180.0° |
| H65 | C49 | C50 | H68 | 172.2° | 60.0° |
| H66 | C49 | C50 | H67 | 49.7° | 60.0° |
| H66 | C49 | C50 | H68 | 68.9° | 180.0° |
| H67 | C50 | C51 | H69 | 120.0° | 180.0° |
| H67 | C50 | C51 | H70 | 121.2° | 60.0° |
| H68 | C50 | C51 | H69 | 1.4° | 60.0° |
| H68 | C50 | C51 | H70 | 120.2° | 180.0° |
| H69 | C51 | C52 | H71 | 90.2° | 180.0° |
| H69 | C51 | C52 | H72 | 28.5° | 60.0° |
| H70 | C51 | C52 | H71 | 151.0° | 60.0° |
| H70 | C51 | C52 | H72 | 90.3° | 180.0° |
| H71 | C52 | C53 | H73 | 136.0° | 180.0° |
| H71 | C52 | C53 | H74 | 105.4° | 60.0° |
| H72 | C52 | C53 | H73 | 105.3° | 60.0° |
| H72 | C52 | C53 | H74 | 13.3° | 180.0° |
| H73 | C53 | C54 | H75 | 160.9° | 180.0° |
| H73 | C53 | C54 | H76 | 41.9° | 60.0° |
| H74 | C53 | C54 | H75 | 80.5° | 60.0° |
| H74 | C53 | C54 | H76 | 160.5° | 180.0° |
| H75 | C54 | C55 | H77 | 59.5° | 60.0° |
| H75 | C54 | C55 | H78 | 179.5° | 180.0° |
| H75 | C54 | C55 | H79 | 60.5° | 60.1° |
| H76 | C54 | C55 | H77 | 59.5° | 59.9° |
| H76 | C54 | C55 | H78 | 60.5° | 60.0° |
| H76 | C54 | C55 | H79 | 179.5° | 180.0° |
| H77 | C55 | H78 | H79 | 120.0° | 120.0° |
