A1JAO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C20 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | O2 | sing | 1.43Å | 1.44Å | |
| O2 | P1 | sing | 1.61Å | 1.60Å | |
| P1 | O3 | sing | 1.61Å | 1.48Å | |
| P1 | O4 | sing | 1.61Å | 1.60Å | |
| O4 | C23 | sing | 1.43Å | 1.43Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | O5 | sing | 1.43Å | 1.43Å | |
| C27 | O6 | sing | 1.43Å | 1.43Å | |
| C26 | O7 | sing | 1.43Å | 1.43Å | |
| C25 | O8 | sing | 1.43Å | 1.43Å | |
| C24 | O9 | sing | 1.43Å | 1.43Å | |
| P1 | O10 | doub | 1.48Å | 1.48Å | |
| C21 | O11 | sing | 1.43Å | 1.44Å | |
| O11 | C29 | sing | 1.43Å | 1.44Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C31 | O12 | sing | 1.43Å | 1.44Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | C37 | sing | 1.53Å | 1.51Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C40 | C42 | sing | 1.53Å | 1.52Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C44 | C45 | sing | 1.53Å | 1.51Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C45 | C47 | sing | 1.53Å | 1.52Å | |
| C31 | C48 | sing | 1.53Å | 1.52Å | |
| C2 | C49 | sing | 1.53Å | 1.52Å | |
| C23 | C28 | sing | 1.53Å | 1.52Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H33 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H39 | sing | 1.09Å | 1.10Å | |
| C20 | H40 | sing | 1.09Å | 1.10Å | |
| C21 | H41 | sing | 1.09Å | 1.10Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C22 | H43 | sing | 1.09Å | 1.10Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C19 | H37 | sing | 1.09Å | 1.10Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| O3 | H99 | sing | 0.97Å | 0.95Å | |
| C23 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C26 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | H55 | sing | 1.09Å | 1.10Å | |
| C29 | H56 | sing | 1.09Å | 1.10Å | |
| C30 | H57 | sing | 1.09Å | 1.10Å | |
| C30 | H58 | sing | 1.09Å | 1.10Å | |
| C32 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H61 | sing | 1.09Å | 1.10Å | |
| C33 | H62 | sing | 1.09Å | 1.10Å | |
| C33 | H63 | sing | 1.09Å | 1.10Å | |
| C34 | H64 | sing | 1.09Å | 1.10Å | |
| C34 | H65 | sing | 1.09Å | 1.10Å | |
| C35 | H66 | sing | 1.09Å | 1.10Å | |
| C36 | H68 | sing | 1.09Å | 1.10Å | |
| C36 | H69 | sing | 1.09Å | 1.10Å | |
| C36 | H67 | sing | 1.09Å | 1.10Å | |
| C37 | H70 | sing | 1.09Å | 1.10Å | |
| C37 | H71 | sing | 1.09Å | 1.10Å | |
| C38 | H72 | sing | 1.09Å | 1.10Å | |
| C38 | H73 | sing | 1.09Å | 1.10Å | |
| C39 | H74 | sing | 1.09Å | 1.10Å | |
| C39 | H75 | sing | 1.09Å | 1.10Å | |
| C40 | H76 | sing | 1.09Å | 1.10Å | |
| C41 | H79 | sing | 1.09Å | 1.10Å | |
| C41 | H77 | sing | 1.09Å | 1.10Å | |
| C41 | H78 | sing | 1.09Å | 1.10Å | |
| C42 | H80 | sing | 1.09Å | 1.10Å | |
| C42 | H81 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C46 | H88 | sing | 1.09Å | 1.10Å | |
| C46 | H89 | sing | 1.09Å | 1.10Å | |
| C46 | H87 | sing | 1.09Å | 1.10Å | |
| C47 | H91 | sing | 1.09Å | 1.10Å | |
| C47 | H92 | sing | 1.09Å | 1.10Å | |
| C47 | H90 | sing | 1.09Å | 1.10Å | |
| C48 | H94 | sing | 1.09Å | 1.10Å | |
| C48 | H95 | sing | 1.09Å | 1.10Å | |
| C48 | H93 | sing | 1.09Å | 1.10Å | |
| C49 | H97 | sing | 1.09Å | 1.10Å | |
| C49 | H98 | sing | 1.09Å | 1.10Å | |
| C49 | H96 | sing | 1.09Å | 1.10Å | |
| O12 | H59 | sing | 0.97Å | 0.95Å | |
| O5 | H50 | sing | 0.97Å | 0.95Å | |
| O6 | H51 | sing | 0.97Å | 0.95Å | |
| O7 | H52 | sing | 0.97Å | 0.95Å | |
| O8 | H53 | sing | 0.97Å | 0.95Å | |
| O9 | H54 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 111.6° | 109.5° |
| C1 | C2 | C49 | 110.2° | 109.4° |
| C1 | C2 | H4 | 107.8° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C2 | C3 | C4 | 115.3° | 109.4° |
| C3 | C2 | C49 | 111.5° | 109.4° |
| C3 | C2 | H4 | 107.9° | 109.5° |
| C2 | C3 | H5 | 108.0° | 109.5° |
| C2 | C3 | H6 | 108.0° | 109.5° |
| C3 | C4 | C5 | 115.4° | 109.5° |
| C3 | C4 | H7 | 108.0° | 109.5° |
| C3 | C4 | H8 | 108.0° | 109.5° |
| C4 | C3 | H5 | 108.0° | 109.5° |
| C4 | C3 | H6 | 108.0° | 109.4° |
| C4 | C5 | C6 | 114.1° | 109.5° |
| C5 | C4 | H7 | 108.0° | 109.5° |
| C5 | C4 | H8 | 108.0° | 109.4° |
| C4 | C5 | H9 | 108.3° | 109.5° |
| C4 | C5 | H10 | 108.3° | 109.5° |
| C5 | C6 | C7 | 111.7° | 109.5° |
| C5 | C6 | C8 | 112.5° | 109.5° |
| C6 | C5 | H9 | 108.3° | 109.4° |
| C6 | C5 | H10 | 108.3° | 109.5° |
| C5 | C6 | H11 | 106.8° | 109.4° |
| C7 | C6 | C8 | 111.8° | 109.5° |
| C7 | C6 | H11 | 106.7° | 109.5° |
| C6 | C7 | H14 | 109.5° | 109.5° |
| C6 | C7 | H12 | 109.4° | 109.5° |
| C6 | C7 | H13 | 109.5° | 109.5° |
| C6 | C8 | C9 | 114.3° | 109.4° |
| C8 | C6 | H11 | 106.9° | 109.5° |
| C6 | C8 | H16 | 108.3° | 109.4° |
| C6 | C8 | H15 | 108.3° | 109.5° |
| C8 | C9 | C10 | 114.7° | 109.4° |
| C9 | C8 | H16 | 108.3° | 109.5° |
| C9 | C8 | H15 | 108.2° | 109.5° |
| C8 | C9 | H17 | 108.2° | 109.4° |
| C8 | C9 | H18 | 108.2° | 109.5° |
| C9 | C10 | C11 | 113.7° | 109.5° |
| C9 | C10 | H19 | 108.4° | 109.4° |
| C9 | C10 | H20 | 108.4° | 109.5° |
| C10 | C9 | H17 | 108.1° | 109.5° |
| C10 | C9 | H18 | 108.2° | 109.5° |
| C10 | C11 | C12 | 111.4° | 109.5° |
| C10 | C11 | C13 | 113.1° | 109.5° |
| C11 | C10 | H19 | 108.4° | 109.5° |
| C11 | C10 | H20 | 108.4° | 109.5° |
| C10 | C11 | H21 | 106.9° | 109.4° |
| C12 | C11 | C13 | 111.4° | 109.5° |
| C11 | C12 | H24 | 109.5° | 109.6° |
| C11 | C12 | H22 | 109.5° | 109.5° |
| C11 | C12 | H23 | 109.5° | 109.5° |
| C12 | C11 | H21 | 106.8° | 109.5° |
| C11 | C13 | C14 | 114.1° | 109.5° |
| C11 | C13 | H25 | 108.3° | 109.5° |
| C11 | C13 | H26 | 108.3° | 109.5° |
| C13 | C11 | H21 | 106.9° | 109.5° |
| C13 | C14 | C15 | 113.8° | 109.5° |
| C14 | C13 | H25 | 108.3° | 109.4° |
| C14 | C13 | H26 | 108.3° | 109.5° |
| C13 | C14 | H27 | 108.4° | 109.5° |
| C13 | C14 | H28 | 108.4° | 109.5° |
| C14 | C15 | C16 | 114.2° | 109.5° |
| C14 | C15 | H29 | 108.3° | 109.5° |
| C14 | C15 | H30 | 108.3° | 109.5° |
| C15 | C14 | H27 | 108.4° | 109.5° |
| C15 | C14 | H28 | 108.4° | 109.4° |
| C15 | C16 | C17 | 111.3° | 109.5° |
| C15 | C16 | C18 | 110.7° | 109.4° |
| C16 | C15 | H29 | 108.3° | 109.5° |
| C16 | C15 | H30 | 108.3° | 109.5° |
| C15 | C16 | H31 | 106.9° | 109.5° |
| C17 | C16 | C18 | 113.9° | 109.5° |
| C16 | C17 | H33 | 109.5° | 109.4° |
| C16 | C17 | H32 | 109.5° | 109.4° |
| C16 | C17 | H34 | 109.5° | 109.5° |
| C17 | C16 | H31 | 106.8° | 109.5° |
| C16 | C18 | C19 | 117.7° | 109.4° |
| C16 | C18 | H35 | 107.4° | 109.5° |
| C16 | C18 | H36 | 107.4° | 109.5° |
| C18 | C16 | H31 | 106.9° | 109.5° |
| C18 | C19 | O1 | 108.1° | 109.5° |
| C19 | C18 | H35 | 107.4° | 109.4° |
| C19 | C18 | H36 | 107.4° | 109.5° |
| C18 | C19 | H37 | 109.8° | 109.5° |
| C18 | C19 | H38 | 109.8° | 109.5° |
| C19 | O1 | C20 | 114.8° | 114.0° |
| O1 | C19 | H37 | 109.8° | 109.5° |
| O1 | C19 | H38 | 109.8° | 109.5° |
| O1 | C20 | C21 | 108.1° | 109.5° |
| O1 | C20 | H39 | 109.8° | 109.4° |
| O1 | C20 | H40 | 109.8° | 109.5° |
| C20 | C21 | C22 | 112.3° | 109.5° |
| C20 | C21 | O11 | 111.4° | 109.5° |
| C21 | C20 | H39 | 109.8° | 109.5° |
| C21 | C20 | H40 | 109.8° | 109.5° |
| C20 | C21 | H41 | 107.6° | 109.4° |
| C21 | C22 | O2 | 109.7° | 109.5° |
| C22 | C21 | O11 | 109.3° | 109.5° |
| C22 | C21 | H41 | 107.6° | 109.5° |
| C21 | C22 | H42 | 109.4° | 109.4° |
| C21 | C22 | H43 | 109.4° | 109.4° |
| C22 | O2 | P1 | 119.0° | 123.0° |
| O2 | C22 | H42 | 109.4° | 109.5° |
| O2 | C22 | H43 | 109.4° | 109.5° |
| O2 | P1 | O3 | 108.6° | 109.5° |
| O2 | P1 | O4 | 101.9° | 109.4° |
| O2 | P1 | O10 | 109.0° | 109.5° |
| O3 | P1 | O4 | 110.0° | 109.4° |
| O3 | P1 | O10 | 117.2° | 109.5° |
| P1 | O3 | H99 | 109.5° | 114.1° |
| P1 | O4 | C23 | 122.5° | 123.0° |
| O4 | P1 | O10 | 109.1° | 109.5° |
| O4 | C23 | C24 | 108.4° | 109.4° |
| O4 | C23 | C28 | 109.4° | 109.4° |
| O4 | C23 | H44 | 110.1° | 109.5° |
| C23 | C24 | C25 | 112.0° | 109.5° |
| C23 | C24 | O9 | 109.1° | 109.5° |
| C24 | C23 | C28 | 111.3° | 109.5° |
| C24 | C23 | H44 | 108.8° | 109.5° |
| C23 | C24 | H45 | 108.4° | 109.5° |
| C24 | C25 | C26 | 111.5° | 109.5° |
| C24 | C25 | O8 | 109.3° | 109.5° |
| C25 | C24 | O9 | 109.3° | 109.5° |
| C25 | C24 | H45 | 108.3° | 109.4° |
| C24 | C25 | H46 | 108.3° | 109.4° |
| C25 | C26 | C27 | 110.9° | 109.5° |
| C25 | C26 | O7 | 109.8° | 109.5° |
| C26 | C25 | O8 | 109.6° | 109.5° |
| C26 | C25 | H46 | 108.3° | 109.5° |
| C25 | C26 | H47 | 108.4° | 109.4° |
| C26 | C27 | C28 | 110.8° | 109.5° |
| C26 | C27 | O6 | 110.3° | 109.5° |
| C27 | C26 | O7 | 109.7° | 109.5° |
| C27 | C26 | H47 | 108.4° | 109.5° |
| C26 | C27 | H48 | 108.2° | 109.5° |
| C27 | C28 | O5 | 109.7° | 109.5° |
| C28 | C27 | O6 | 109.8° | 109.5° |
| C27 | C28 | C23 | 109.7° | 109.4° |
| C28 | C27 | H48 | 108.2° | 109.5° |
| C27 | C28 | H49 | 108.6° | 109.5° |
| O5 | C28 | C23 | 110.4° | 109.5° |
| O5 | C28 | H49 | 109.9° | 109.5° |
| C28 | O5 | H50 | 109.5° | 114.0° |
| O6 | C27 | H48 | 109.5° | 109.5° |
| C27 | O6 | H51 | 109.5° | 114.0° |
| O7 | C26 | H47 | 109.7° | 109.5° |
| C26 | O7 | H52 | 109.5° | 114.0° |
| O8 | C25 | H46 | 109.7° | 109.5° |
| C25 | O8 | H53 | 109.5° | 114.0° |
| O9 | C24 | H45 | 109.7° | 109.5° |
| C24 | O9 | H54 | 109.5° | 114.0° |
| C21 | O11 | C29 | 118.5° | 114.0° |
| O11 | C21 | H41 | 108.6° | 109.4° |
| O11 | C29 | C30 | 111.8° | 109.5° |
| O11 | C29 | H55 | 108.9° | 109.4° |
| O11 | C29 | H56 | 108.9° | 109.4° |
| C29 | C30 | C31 | 115.7° | 109.4° |
| C30 | C29 | H55 | 108.9° | 109.5° |
| C30 | C29 | H56 | 108.9° | 109.5° |
| C29 | C30 | H57 | 107.9° | 109.5° |
| C29 | C30 | H58 | 107.9° | 109.5° |
| C30 | C31 | O12 | 109.1° | 109.5° |
| C30 | C31 | C32 | 112.2° | 109.4° |
| C30 | C31 | C48 | 110.3° | 109.5° |
| C31 | C30 | H57 | 107.9° | 109.4° |
| C31 | C30 | H58 | 107.9° | 109.5° |
| O12 | C31 | C32 | 106.9° | 109.5° |
| O12 | C31 | C48 | 107.3° | 109.5° |
| C31 | O12 | H59 | 109.5° | 113.9° |
| C31 | C32 | C33 | 117.1° | 109.5° |
| C32 | C31 | C48 | 110.8° | 109.5° |
| C31 | C32 | H60 | 107.5° | 109.5° |
| C31 | C32 | H61 | 107.5° | 109.5° |
| C32 | C33 | C34 | 112.4° | 109.5° |
| C33 | C32 | H60 | 107.6° | 109.5° |
| C33 | C32 | H61 | 107.5° | 109.5° |
| C32 | C33 | H62 | 108.7° | 109.5° |
| C32 | C33 | H63 | 108.7° | 109.5° |
| C33 | C34 | C35 | 114.8° | 109.5° |
| C34 | C33 | H62 | 108.7° | 109.5° |
| C34 | C33 | H63 | 108.8° | 109.5° |
| C33 | C34 | H64 | 108.1° | 109.5° |
| C33 | C34 | H65 | 108.2° | 109.5° |
| C34 | C35 | C36 | 111.8° | 109.5° |
| C34 | C35 | C37 | 112.5° | 109.5° |
| C35 | C34 | H64 | 108.2° | 109.4° |
| C35 | C34 | H65 | 108.1° | 109.4° |
| C34 | C35 | H66 | 106.9° | 109.5° |
| C36 | C35 | C37 | 111.5° | 109.5° |
| C36 | C35 | H66 | 106.8° | 109.4° |
| C35 | C36 | H68 | 109.5° | 109.5° |
| C35 | C36 | H69 | 109.5° | 109.5° |
| C35 | C36 | H67 | 109.5° | 109.4° |
| C35 | C37 | C38 | 113.7° | 109.5° |
| C37 | C35 | H66 | 106.9° | 109.5° |
| C35 | C37 | H70 | 108.4° | 109.5° |
| C35 | C37 | H71 | 108.4° | 109.5° |
| C37 | C38 | C39 | 114.0° | 109.5° |
| C38 | C37 | H70 | 108.4° | 109.4° |
| C38 | C37 | H71 | 108.4° | 109.4° |
| C37 | C38 | H72 | 108.3° | 109.5° |
| C37 | C38 | H73 | 108.3° | 109.5° |
| C38 | C39 | C40 | 113.9° | 109.5° |
| C39 | C38 | H72 | 108.3° | 109.4° |
| C39 | C38 | H73 | 108.3° | 109.4° |
| C38 | C39 | H74 | 108.4° | 109.5° |
| C38 | C39 | H75 | 108.4° | 109.5° |
| C39 | C40 | C41 | 111.3° | 109.5° |
| C39 | C40 | C42 | 112.7° | 109.5° |
| C40 | C39 | H74 | 108.3° | 109.5° |
| C40 | C39 | H75 | 108.3° | 109.4° |
| C39 | C40 | H76 | 107.1° | 109.4° |
| C41 | C40 | C42 | 111.2° | 109.5° |
| C41 | C40 | H76 | 107.1° | 109.4° |
| C40 | C41 | H79 | 109.5° | 109.4° |
| C40 | C41 | H77 | 109.5° | 109.4° |
| C40 | C41 | H78 | 109.5° | 109.5° |
| C40 | C42 | C43 | 114.3° | 109.5° |
| C42 | C40 | H76 | 107.1° | 109.5° |
| C40 | C42 | H80 | 108.3° | 109.5° |
| C40 | C42 | H81 | 108.2° | 109.5° |
| C42 | C43 | C44 | 114.3° | 109.5° |
| C43 | C42 | H80 | 108.3° | 109.4° |
| C43 | C42 | H81 | 108.2° | 109.5° |
| C42 | C43 | H82 | 108.3° | 109.4° |
| C42 | C43 | H83 | 108.3° | 109.4° |
| C43 | C44 | C45 | 115.4° | 109.5° |
| C44 | C43 | H82 | 108.3° | 109.5° |
| C44 | C43 | H83 | 108.3° | 109.5° |
| C43 | C44 | H84 | 108.0° | 109.5° |
| C43 | C44 | H85 | 108.0° | 109.5° |
| C44 | C45 | C46 | 111.5° | 109.5° |
| C44 | C45 | C47 | 111.4° | 109.5° |
| C45 | C44 | H84 | 108.0° | 109.5° |
| C45 | C44 | H85 | 107.9° | 109.5° |
| C44 | C45 | H86 | 107.8° | 109.5° |
| C46 | C45 | C47 | 110.5° | 109.5° |
| C46 | C45 | H86 | 107.7° | 109.5° |
| C45 | C46 | H88 | 109.5° | 109.5° |
| C45 | C46 | H89 | 109.5° | 109.5° |
| C45 | C46 | H87 | 109.4° | 109.5° |
| C47 | C45 | H86 | 107.7° | 109.4° |
| C45 | C47 | H91 | 109.5° | 109.5° |
| C45 | C47 | H92 | 109.5° | 109.4° |
| C45 | C47 | H90 | 109.5° | 109.4° |
| C31 | C48 | H94 | 109.5° | 109.5° |
| C31 | C48 | H95 | 109.4° | 109.5° |
| C31 | C48 | H93 | 109.5° | 109.4° |
| C49 | C2 | H4 | 107.7° | 109.4° |
| C2 | C49 | H97 | 109.5° | 109.5° |
| C2 | C49 | H98 | 109.5° | 109.4° |
| C2 | C49 | H96 | 109.5° | 109.5° |
| C28 | C23 | H44 | 108.8° | 109.5° |
| C23 | C28 | H49 | 108.6° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H9 | C5 | H10 | 109.4° | 109.4° |
| H14 | C7 | H12 | 109.5° | 109.5° |
| H14 | C7 | H13 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| H16 | C8 | H15 | 109.5° | 109.5° |
| H19 | C10 | H20 | 109.5° | 109.5° |
| H25 | C13 | H26 | 109.5° | 109.5° |
| H29 | C15 | H30 | 109.5° | 109.5° |
| H33 | C17 | H32 | 109.5° | 109.5° |
| H33 | C17 | H34 | 109.4° | 109.5° |
| H32 | C17 | H34 | 109.5° | 109.5° |
| H39 | C20 | H40 | 109.5° | 109.5° |
| H42 | C22 | H43 | 109.5° | 109.5° |
| H35 | C18 | H36 | 109.5° | 109.5° |
| H37 | C19 | H38 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H27 | C14 | H28 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.4° | 109.5° |
| H24 | C12 | H22 | 109.5° | 109.4° |
| H24 | C12 | H23 | 109.5° | 109.4° |
| H22 | C12 | H23 | 109.5° | 109.4° |
| H55 | C29 | H56 | 109.5° | 109.4° |
| H57 | C30 | H58 | 109.4° | 109.5° |
| H60 | C32 | H61 | 109.4° | 109.5° |
| H62 | C33 | H63 | 109.5° | 109.4° |
| H64 | C34 | H65 | 109.5° | 109.5° |
| H68 | C36 | H69 | 109.5° | 109.5° |
| H68 | C36 | H67 | 109.5° | 109.5° |
| H69 | C36 | H67 | 109.5° | 109.5° |
| H70 | C37 | H71 | 109.5° | 109.5° |
| H72 | C38 | H73 | 109.5° | 109.5° |
| H74 | C39 | H75 | 109.5° | 109.5° |
| H79 | C41 | H77 | 109.5° | 109.5° |
| H79 | C41 | H78 | 109.4° | 109.5° |
| H77 | C41 | H78 | 109.5° | 109.5° |
| H80 | C42 | H81 | 109.5° | 109.4° |
| H82 | C43 | H83 | 109.5° | 109.5° |
| H84 | C44 | H85 | 109.5° | 109.4° |
| H88 | C46 | H89 | 109.5° | 109.5° |
| H88 | C46 | H87 | 109.5° | 109.5° |
| H89 | C46 | H87 | 109.5° | 109.4° |
| H91 | C47 | H92 | 109.5° | 109.5° |
| H91 | C47 | H90 | 109.5° | 109.5° |
| H92 | C47 | H90 | 109.5° | 109.5° |
| H94 | C48 | H95 | 109.5° | 109.5° |
| H94 | C48 | H93 | 109.5° | 109.5° |
| H95 | C48 | H93 | 109.5° | 109.4° |
| H97 | C49 | H98 | 109.5° | 109.5° |
| H97 | C49 | H96 | 109.5° | 109.5° |
| H98 | C49 | H96 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C49 | 123.8° | 120.0° |
| C1 | C2 | C3 | H4 | 118.2° | 120.1° |
| C1 | C2 | C3 | C4 | 164.4° | 65.0° |
| C1 | C2 | C49 | H4 | 117.3° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 43.5° | 175.0° |
| C1 | C2 | C3 | H6 | 74.8° | 55.0° |
| C1 | C2 | C49 | H97 | 180.0° | 60.0° |
| C1 | C2 | C49 | H98 | 60.0° | 60.0° |
| C1 | C2 | C49 | H96 | 60.0° | 180.0° |
| C2 | C3 | C4 | H5 | 120.9° | 120.0° |
| C2 | C3 | C4 | H6 | 120.8° | 120.0° |
| C2 | C3 | C4 | C5 | 151.5° | 180.0° |
| C3 | C2 | C49 | H4 | 118.1° | 120.0° |
| C2 | C3 | C4 | H7 | 30.7° | 60.0° |
| C2 | C3 | C4 | H8 | 87.6° | 60.0° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.1° |
| C3 | C2 | C1 | H3 | 60.0° | 179.9° |
| C2 | C3 | H5 | H6 | 117.3° | 120.1° |
| C3 | C2 | C49 | H97 | 55.5° | 60.0° |
| C3 | C2 | C49 | H98 | 64.5° | 180.0° |
| C3 | C2 | C49 | H96 | 175.5° | 60.0° |
| C3 | C4 | C5 | H7 | 120.9° | 120.1° |
| C3 | C4 | C5 | H8 | 120.8° | 120.0° |
| C3 | C4 | C5 | C6 | 76.2° | 180.0° |
| C4 | C3 | C2 | C49 | 71.9° | 175.0° |
| C3 | C4 | H7 | H8 | 117.3° | 120.0° |
| C3 | C4 | C5 | H9 | 44.5° | 60.0° |
| C3 | C4 | C5 | H10 | 163.1° | 60.0° |
| C4 | C3 | C2 | H4 | 46.2° | 55.1° |
| C4 | C3 | H5 | H6 | 117.3° | 120.0° |
| C4 | C5 | C6 | H9 | 120.7° | 120.0° |
| C4 | C5 | C6 | H10 | 120.7° | 120.1° |
| C4 | C5 | C6 | C7 | 83.7° | 64.9° |
| C4 | C5 | C6 | C8 | 149.6° | 175.0° |
| C5 | C4 | H7 | H8 | 117.3° | 119.9° |
| C4 | C5 | H9 | H10 | 117.9° | 120.0° |
| C4 | C5 | C6 | H11 | 32.7° | 55.0° |
| C5 | C4 | C3 | H5 | 87.6° | 60.0° |
| C5 | C4 | C3 | H6 | 30.7° | 60.0° |
| C5 | C6 | C7 | C8 | 127.0° | 120.0° |
| C5 | C6 | C7 | H11 | 116.4° | 120.0° |
| C5 | C6 | C8 | H11 | 116.9° | 120.0° |
| C5 | C6 | C8 | C9 | 76.6° | 175.0° |
| C6 | C5 | C4 | H7 | 163.0° | 59.9° |
| C6 | C5 | C4 | H8 | 44.7° | 60.1° |
| C6 | C5 | H9 | H10 | 117.9° | 120.0° |
| C5 | C6 | C7 | H14 | 180.0° | 60.0° |
| C5 | C6 | C7 | H12 | 60.0° | 180.0° |
| C5 | C6 | C7 | H13 | 60.0° | 60.0° |
| C5 | C6 | C8 | H16 | 44.1° | 65.1° |
| C5 | C6 | C8 | H15 | 162.7° | 55.0° |
| C7 | C6 | C8 | H11 | 116.5° | 120.0° |
| C7 | C6 | C8 | C9 | 50.1° | 65.0° |
| C7 | C6 | C5 | H9 | 37.0° | 55.1° |
| C7 | C6 | C5 | H10 | 155.6° | 175.0° |
| C6 | C7 | H14 | H12 | 120.0° | 120.0° |
| C6 | C7 | H14 | H13 | 120.0° | 120.0° |
| C6 | C7 | H12 | H13 | 120.0° | 120.0° |
| C7 | C6 | C8 | H16 | 170.8° | 55.0° |
| C7 | C6 | C8 | H15 | 70.7° | 175.0° |
| C6 | C8 | C9 | H16 | 120.7° | 119.9° |
| C6 | C8 | C9 | H15 | 120.7° | 120.0° |
| C6 | C8 | C9 | C10 | 97.3° | NaN° |
| C8 | C6 | C5 | H9 | 89.7° | 65.0° |
| C8 | C6 | C5 | H10 | 28.9° | 54.9° |
| C8 | C6 | C7 | H14 | 53.0° | 60.0° |
| C8 | C6 | C7 | H12 | 173.0° | 60.0° |
| C8 | C6 | C7 | H13 | 67.0° | 180.0° |
| C6 | C8 | H16 | H15 | 117.8° | 120.0° |
| C6 | C8 | C9 | H17 | 23.4° | 60.0° |
| C6 | C8 | C9 | H18 | 141.9° | 60.0° |
| C8 | C9 | C10 | H17 | 120.8° | 119.9° |
| C8 | C9 | C10 | H18 | 120.8° | 120.0° |
| C8 | C9 | C10 | C11 | 158.3° | 180.0° |
| C9 | C8 | C6 | H11 | 166.5° | 55.0° |
| C9 | C8 | H16 | H15 | 117.8° | 120.0° |
| C8 | C9 | C10 | H19 | 37.7° | 60.0° |
| C8 | C9 | C10 | H20 | 81.0° | 59.9° |
| C8 | C9 | H17 | H18 | 117.6° | 120.0° |
| C9 | C10 | C11 | H19 | 120.6° | 119.9° |
| C9 | C10 | C11 | H20 | 120.6° | 120.0° |
| C9 | C10 | C11 | C12 | 92.0° | 65.0° |
| C9 | C10 | C11 | C13 | 141.6° | 175.0° |
| C10 | C9 | C8 | H16 | 141.9° | 60.1° |
| C10 | C9 | C8 | H15 | 23.4° | 60.0° |
| C9 | C10 | H19 | H20 | 118.1° | 120.0° |
| C10 | C9 | H17 | H18 | 117.6° | 120.1° |
| C9 | C10 | C11 | H21 | 24.3° | 55.1° |
| C10 | C11 | C12 | C13 | 127.3° | 120.0° |
| C10 | C11 | C12 | H21 | 116.4° | 119.9° |
| C10 | C11 | C13 | H21 | 117.4° | 119.9° |
| C10 | C11 | C13 | C14 | 61.7° | 175.0° |
| C11 | C10 | H19 | H20 | 118.0° | 120.1° |
| C10 | C11 | C13 | H25 | 177.6° | 55.0° |
| C10 | C11 | C13 | H26 | 59.0° | 65.0° |
| C11 | C10 | C9 | H17 | 80.9° | 60.1° |
| C11 | C10 | C9 | H18 | 37.6° | 60.0° |
| C10 | C11 | C12 | H24 | 180.0° | 60.0° |
| C10 | C11 | C12 | H22 | 60.0° | 180.0° |
| C10 | C11 | C12 | H23 | 60.0° | 60.0° |
| C12 | C11 | C13 | H21 | 116.3° | 120.1° |
| C12 | C11 | C13 | C14 | 172.0° | 65.0° |
| C12 | C11 | C10 | H19 | 28.6° | 55.0° |
| C12 | C11 | C10 | H20 | 147.3° | 175.0° |
| C12 | C11 | C13 | H25 | 51.3° | 175.0° |
| C12 | C11 | C13 | H26 | 67.4° | 55.0° |
| C11 | C12 | H24 | H22 | 120.0° | 120.0° |
| C11 | C12 | H24 | H23 | 120.0° | 120.1° |
| C11 | C12 | H22 | H23 | 120.0° | 120.0° |
| C11 | C13 | C14 | H25 | 120.7° | 120.0° |
| C11 | C13 | C14 | H26 | 120.7° | 120.0° |
| C11 | C13 | C14 | C15 | 150.5° | 180.0° |
| C13 | C11 | C10 | H19 | 97.7° | 65.0° |
| C13 | C11 | C10 | H20 | 21.0° | 55.0° |
| C11 | C13 | H25 | H26 | 117.9° | 120.1° |
| C11 | C13 | C14 | H27 | 88.9° | 60.0° |
| C11 | C13 | C14 | H28 | 29.8° | 60.0° |
| C13 | C11 | C12 | H24 | 52.7° | 60.0° |
| C13 | C11 | C12 | H22 | 172.7° | 60.0° |
| C13 | C11 | C12 | H23 | 67.3° | 180.0° |
| C13 | C14 | C15 | H27 | 120.6° | 120.0° |
| C13 | C14 | C15 | H28 | 120.7° | 120.0° |
| C13 | C14 | C15 | C16 | 177.6° | 180.0° |
| C14 | C13 | H25 | H26 | 117.9° | 119.9° |
| C13 | C14 | C15 | H29 | 61.7° | 60.0° |
| C13 | C14 | C15 | H30 | 56.9° | 60.0° |
| C13 | C14 | H27 | H28 | 118.0° | 120.0° |
| C14 | C13 | C11 | H21 | 55.7° | 55.1° |
| C14 | C15 | C16 | H29 | 120.7° | 120.0° |
| C14 | C15 | C16 | H30 | 120.7° | 120.0° |
| C14 | C15 | C16 | C17 | 75.2° | 65.1° |
| C14 | C15 | C16 | C18 | 157.1° | 175.0° |
| C15 | C14 | C13 | H25 | 29.8° | 60.0° |
| C15 | C14 | C13 | H26 | 88.9° | 60.0° |
| C14 | C15 | H29 | H30 | 117.8° | 120.0° |
| C14 | C15 | C16 | H31 | 41.0° | 55.0° |
| C15 | C14 | H27 | H28 | 118.0° | 119.9° |
| C15 | C16 | C17 | C18 | 125.9° | 119.9° |
| C15 | C16 | C17 | H31 | 116.3° | 120.0° |
| C15 | C16 | C18 | H31 | 116.1° | 120.0° |
| C15 | C16 | C18 | C19 | 169.6° | 175.0° |
| C16 | C15 | H29 | H30 | 117.9° | 120.0° |
| C15 | C16 | C17 | H33 | 180.0° | 180.0° |
| C15 | C16 | C17 | H32 | 60.0° | 60.1° |
| C15 | C16 | C17 | H34 | 60.0° | 60.0° |
| C15 | C16 | C18 | H35 | 48.4° | 55.1° |
| C15 | C16 | C18 | H36 | 69.2° | 65.0° |
| C16 | C15 | C14 | H27 | 57.0° | 60.0° |
| C16 | C15 | C14 | H28 | 61.7° | 60.0° |
| C17 | C16 | C18 | H31 | 117.7° | 120.1° |
| C17 | C16 | C18 | C19 | 43.4° | 65.0° |
| C17 | C16 | C15 | H29 | 45.4° | 175.0° |
| C17 | C16 | C15 | H30 | 164.0° | 54.9° |
| C16 | C17 | H33 | H32 | 120.0° | 119.9° |
| C16 | C17 | H33 | H34 | 120.0° | 120.0° |
| C16 | C17 | H32 | H34 | 120.0° | 120.0° |
| C17 | C16 | C18 | H35 | 77.8° | 175.0° |
| C17 | C16 | C18 | H36 | 164.6° | 54.9° |
| C16 | C18 | C19 | H35 | 121.2° | 120.0° |
| C16 | C18 | C19 | H36 | 121.2° | 120.0° |
| C16 | C18 | C19 | O1 | 163.6° | 180.0° |
| C18 | C16 | C15 | H29 | 82.3° | 55.0° |
| C18 | C16 | C15 | H30 | 36.4° | 65.0° |
| C18 | C16 | C17 | H33 | 54.1° | 60.1° |
| C18 | C16 | C17 | H32 | 174.1° | 180.0° |
| C18 | C16 | C17 | H34 | 65.9° | 60.0° |
| C16 | C18 | H35 | H36 | 116.3° | 120.1° |
| C16 | C18 | C19 | H37 | 43.9° | 60.0° |
| C16 | C18 | C19 | H38 | 76.6° | 60.0° |
| C18 | C19 | O1 | H37 | 119.8° | 120.0° |
| C18 | C19 | O1 | H38 | 119.8° | 120.0° |
| C18 | C19 | O1 | C20 | 178.4° | 180.0° |
| C19 | C18 | H35 | H36 | 116.3° | 120.0° |
| C18 | C19 | H37 | H38 | 120.6° | 120.0° |
| C19 | C18 | C16 | H31 | 74.3° | 55.0° |
| C19 | O1 | C20 | C21 | 169.0° | 180.0° |
| C19 | O1 | C20 | H39 | 71.3° | 60.0° |
| C19 | O1 | C20 | H40 | 49.2° | 60.0° |
| O1 | C19 | C18 | H35 | 75.2° | 60.0° |
| O1 | C19 | C18 | H36 | 42.5° | 60.0° |
| O1 | C19 | H37 | H38 | 120.6° | 120.0° |
| O1 | C20 | C21 | H39 | 119.8° | 119.9° |
| O1 | C20 | C21 | H40 | 119.8° | 120.0° |
| O1 | C20 | C21 | C22 | 164.8° | 55.0° |
| O1 | C20 | C21 | O11 | 72.3° | 65.1° |
| O1 | C20 | H39 | H40 | 120.6° | 120.0° |
| O1 | C20 | C21 | H41 | 46.6° | 175.0° |
| C20 | O1 | C19 | H37 | 61.8° | 60.0° |
| C20 | O1 | C19 | H38 | 58.6° | 60.0° |
| C20 | C21 | C22 | O11 | 124.1° | 120.0° |
| C20 | C21 | C22 | H41 | 118.2° | 120.0° |
| C20 | C21 | C22 | O2 | 179.1° | 55.0° |
| C20 | C21 | O11 | H41 | 118.3° | 119.9° |
| C20 | C21 | O11 | C29 | 60.5° | 150.0° |
| C21 | C20 | H39 | H40 | 120.6° | 120.0° |
| C20 | C21 | C22 | H42 | 60.9° | 175.1° |
| C20 | C21 | C22 | H43 | 59.1° | 65.0° |
| C21 | C22 | O2 | H42 | 120.0° | 120.0° |
| C21 | C22 | O2 | H43 | 120.0° | 120.0° |
| C21 | C22 | O2 | P1 | 168.7° | 180.0° |
| C22 | C21 | O11 | H41 | 117.1° | 120.0° |
| C22 | C21 | O11 | C29 | 64.2° | 90.0° |
| C22 | C21 | C20 | H39 | 45.0° | 65.0° |
| C22 | C21 | C20 | H40 | 75.4° | 175.0° |
| C21 | C22 | H42 | H43 | 119.9° | 119.9° |
| C22 | O2 | P1 | O3 | 172.2° | 65.1° |
| C22 | O2 | P1 | O4 | 71.7° | 175.0° |
| C22 | O2 | P1 | O10 | 43.6° | 55.0° |
| O2 | C22 | C21 | O11 | 55.0° | 65.0° |
| O2 | C22 | C21 | H41 | 62.7° | 175.0° |
| O2 | C22 | H42 | H43 | 119.9° | 120.0° |
| O2 | P1 | O3 | O4 | 110.7° | 119.9° |
| O2 | P1 | O3 | O10 | 124.0° | 120.0° |
| O2 | P1 | O4 | O10 | 115.2° | 120.0° |
| O2 | P1 | O4 | C23 | 58.3° | 175.0° |
| P1 | O2 | C22 | H42 | 71.2° | 60.0° |
| P1 | O2 | C22 | H43 | 48.7° | 60.1° |
| O2 | P1 | O3 | H99 | 124.0° | 60.0° |
| O3 | P1 | O4 | O10 | 129.8° | 120.0° |
| O3 | P1 | O4 | C23 | 56.7° | 65.0° |
| P1 | O4 | C23 | C24 | 153.6° | 120.0° |
| P1 | O4 | C23 | C28 | 84.9° | 120.0° |
| O4 | P1 | O3 | H99 | 125.3° | 59.9° |
| P1 | O4 | C23 | H44 | 34.7° | 0.0° |
| O4 | C23 | C24 | C28 | 120.4° | 120.0° |
| O4 | C23 | C24 | H44 | 119.7° | 120.0° |
| O4 | C23 | C24 | C25 | 175.0° | 179.9° |
| O4 | C23 | C28 | C27 | 177.2° | 180.0° |
| O4 | C23 | C28 | O5 | 56.2° | 60.0° |
| O4 | C23 | C24 | O9 | 63.8° | 60.0° |
| C23 | O4 | P1 | O10 | 173.5° | 55.0° |
| O4 | C23 | C28 | H44 | 120.3° | 120.0° |
| O4 | C23 | C24 | H45 | 55.6° | 60.1° |
| O4 | C23 | C28 | H49 | 64.3° | 60.0° |
| C23 | C24 | C25 | O9 | 121.1° | 120.0° |
| C23 | C24 | C25 | H45 | 119.5° | 119.9° |
| C23 | C24 | C25 | C26 | 52.6° | 59.9° |
| C24 | C23 | C28 | C27 | 57.4° | 60.0° |
| C24 | C23 | C28 | O5 | 63.6° | 60.0° |
| C23 | C24 | C25 | O8 | 173.9° | 180.0° |
| C23 | C24 | O9 | H45 | 118.6° | 120.1° |
| C24 | C23 | C28 | H44 | 119.9° | 120.1° |
| C23 | C24 | C25 | H46 | 66.6° | 60.1° |
| C24 | C23 | C28 | H49 | 175.9° | 180.0° |
| C23 | C24 | O9 | H54 | 180.0° | 180.0° |
| C24 | C25 | C26 | O8 | 121.2° | 120.0° |
| C24 | C25 | C26 | H46 | 119.1° | 119.9° |
| C24 | C25 | C26 | C27 | 53.8° | 59.9° |
| C24 | C25 | C26 | O7 | 175.2° | 180.0° |
| C24 | C25 | O8 | H46 | 118.7° | 119.9° |
| C25 | C24 | O9 | H45 | 118.6° | 119.9° |
| C25 | C24 | C23 | C28 | 54.6° | 60.0° |
| C25 | C24 | C23 | H44 | 65.3° | 60.1° |
| C24 | C25 | C26 | H47 | 65.0° | 60.0° |
| C24 | C25 | O8 | H53 | 180.0° | 180.0° |
| C25 | C24 | O9 | H54 | 57.2° | 60.0° |
| C25 | C26 | C27 | O7 | 121.4° | 120.0° |
| C25 | C26 | C27 | H47 | 118.8° | 120.0° |
| C25 | C26 | C27 | C28 | 57.5° | 60.0° |
| C25 | C26 | C27 | O6 | 179.3° | 180.0° |
| C25 | C26 | O7 | H47 | 118.9° | 120.0° |
| C26 | C25 | O8 | H46 | 118.8° | 120.0° |
| C26 | C25 | C24 | O9 | 173.6° | 180.0° |
| C26 | C25 | C24 | H45 | 66.9° | 60.0° |
| C25 | C26 | C27 | H48 | 61.0° | 60.0° |
| C25 | C26 | O7 | H52 | 180.0° | 180.0° |
| C26 | C25 | O8 | H53 | 57.5° | 60.0° |
| C26 | C27 | C28 | O6 | 122.1° | 120.0° |
| C26 | C27 | C28 | H48 | 118.5° | 120.0° |
| C26 | C27 | C28 | O5 | 62.4° | 60.0° |
| C26 | C27 | O6 | H48 | 119.0° | 120.0° |
| C27 | C26 | O7 | H47 | 118.9° | 120.0° |
| C27 | C26 | C25 | O8 | 175.0° | 180.0° |
| C26 | C27 | C28 | C23 | 59.0° | 60.0° |
| C27 | C26 | C25 | H46 | 65.3° | 60.0° |
| C26 | C27 | C28 | H49 | 177.5° | 180.0° |
| C26 | C27 | O6 | H51 | 180.0° | 60.0° |
| C27 | C26 | O7 | H52 | 57.9° | 59.9° |
| C27 | C28 | O5 | C23 | 121.0° | 120.0° |
| C27 | C28 | O5 | H49 | 119.3° | 120.0° |
| C28 | C27 | O6 | H48 | 118.7° | 120.0° |
| C28 | C27 | C26 | O7 | 178.9° | 180.0° |
| C27 | C28 | C23 | H49 | 118.5° | 120.0° |
| C27 | C28 | C23 | H44 | 62.5° | 60.1° |
| C28 | C27 | C26 | H47 | 61.3° | 60.0° |
| C27 | C28 | O5 | H50 | 180.0° | 60.0° |
| C28 | C27 | O6 | H51 | 57.7° | 180.0° |
| O5 | C28 | C27 | O6 | 59.7° | 60.0° |
| O5 | C28 | C23 | H49 | 120.5° | 120.0° |
| O5 | C28 | C23 | H44 | 176.5° | 180.0° |
| O5 | C28 | C27 | H48 | 179.1° | 180.0° |
| O6 | C27 | C26 | O7 | 59.3° | 59.9° |
| O6 | C27 | C28 | C23 | 178.9° | 180.0° |
| O6 | C27 | C26 | H47 | 60.4° | 60.0° |
| O6 | C27 | C28 | H49 | 60.4° | 60.0° |
| O7 | C26 | C25 | O8 | 63.6° | 60.0° |
| O7 | C26 | C25 | H46 | 56.1° | 60.1° |
| O7 | C26 | C27 | H48 | 60.5° | 60.0° |
| O8 | C25 | C24 | O9 | 65.0° | 60.0° |
| O8 | C25 | C24 | H45 | 54.4° | 60.0° |
| O8 | C25 | C26 | H47 | 56.2° | 60.0° |
| O9 | C24 | C23 | C28 | 175.8° | 180.0° |
| O9 | C24 | C23 | H44 | 55.9° | 59.9° |
| O9 | C24 | C25 | H46 | 54.5° | 60.0° |
| O10 | P1 | O3 | H99 | 0.0° | 180.0° |
| C21 | O11 | C29 | C30 | 176.2° | 180.0° |
| O11 | C21 | C20 | H39 | 168.0° | 175.0° |
| O11 | C21 | C20 | H40 | 47.5° | 54.9° |
| O11 | C21 | C22 | H42 | 175.0° | 55.0° |
| O11 | C21 | C22 | H43 | 65.0° | 175.0° |
| C21 | O11 | C29 | H55 | 55.9° | 60.0° |
| C21 | O11 | C29 | H56 | 63.4° | 60.0° |
| O11 | C29 | C30 | H55 | 120.3° | 120.0° |
| O11 | C29 | C30 | H56 | 120.4° | 120.0° |
| O11 | C29 | C30 | C31 | 58.1° | 180.0° |
| C29 | O11 | C21 | H41 | 178.7° | 30.0° |
| O11 | C29 | H55 | H56 | 118.9° | 119.9° |
| O11 | C29 | C30 | H57 | 62.8° | 60.0° |
| O11 | C29 | C30 | H58 | 179.0° | 60.0° |
| C29 | C30 | C31 | H57 | 120.9° | 120.0° |
| C29 | C30 | C31 | H58 | 120.9° | 120.0° |
| C29 | C30 | C31 | O12 | 73.7° | 60.0° |
| C29 | C30 | C31 | C32 | 44.6° | 180.0° |
| C29 | C30 | C31 | C48 | 168.7° | 60.0° |
| C30 | C29 | H55 | H56 | 118.9° | 120.1° |
| C29 | C30 | H57 | H58 | 117.2° | 120.0° |
| C30 | C31 | O12 | C32 | 121.5° | 120.0° |
| C30 | C31 | O12 | C48 | 119.5° | 120.0° |
| C30 | C31 | C32 | C48 | 123.8° | 120.0° |
| C30 | C31 | C32 | C33 | 175.7° | 175.0° |
| C31 | C30 | C29 | H55 | 178.4° | 60.0° |
| C31 | C30 | C29 | H56 | 62.3° | 60.0° |
| C31 | C30 | H57 | H58 | 117.2° | 120.0° |
| C30 | C31 | C32 | H60 | 54.6° | 55.0° |
| C30 | C31 | C32 | H61 | 63.2° | 65.0° |
| C30 | C31 | C48 | H94 | 180.0° | 60.0° |
| C30 | C31 | C48 | H95 | 60.0° | 180.0° |
| C30 | C31 | C48 | H93 | 60.0° | 60.1° |
| C30 | C31 | O12 | H59 | 180.0° | 60.0° |
| O12 | C31 | C32 | C48 | 116.7° | 120.0° |
| O12 | C31 | C32 | C33 | 64.8° | 65.0° |
| O12 | C31 | C30 | H57 | 47.2° | 180.0° |
| O12 | C31 | C30 | H58 | 165.4° | 60.0° |
| O12 | C31 | C32 | H60 | 174.1° | 175.0° |
| O12 | C31 | C32 | H61 | 56.4° | 55.0° |
| O12 | C31 | C48 | H94 | 61.2° | 180.0° |
| O12 | C31 | C48 | H95 | 58.7° | 59.9° |
| O12 | C31 | C48 | H93 | 178.7° | 60.0° |
| C31 | C32 | C33 | H60 | 121.1° | 120.0° |
| C31 | C32 | C33 | H61 | 121.1° | 120.0° |
| C31 | C32 | C33 | C34 | 159.5° | 180.0° |
| C32 | C31 | C30 | H57 | 165.5° | 60.0° |
| C32 | C31 | C30 | H58 | 76.4° | 60.0° |
| C31 | C32 | H60 | H61 | 116.5° | 120.0° |
| C31 | C32 | C33 | H62 | 39.1° | 60.0° |
| C31 | C32 | C33 | H63 | 80.0° | 59.9° |
| C32 | C31 | C48 | H94 | 55.1° | 60.0° |
| C32 | C31 | C48 | H95 | 175.1° | 60.1° |
| C32 | C31 | C48 | H93 | 64.9° | 180.0° |
| C32 | C31 | O12 | H59 | 58.5° | 60.0° |
| C32 | C33 | C34 | H62 | 120.4° | 120.0° |
| C32 | C33 | C34 | H63 | 120.4° | 120.0° |
| C32 | C33 | C34 | C35 | 144.9° | 180.0° |
| C33 | C32 | C31 | C48 | 51.9° | 55.0° |
| C33 | C32 | H60 | H61 | 116.5° | 120.0° |
| C32 | C33 | H62 | H63 | 118.6° | 120.0° |
| C32 | C33 | C34 | H64 | 24.1° | 60.1° |
| C32 | C33 | C34 | H65 | 94.3° | 60.0° |
| C33 | C34 | C35 | H64 | 120.8° | 120.0° |
| C33 | C34 | C35 | H65 | 120.8° | 120.0° |
| C33 | C34 | C35 | C36 | 60.7° | 65.0° |
| C33 | C34 | C35 | C37 | 65.7° | 175.0° |
| C34 | C33 | C32 | H60 | 79.4° | 60.0° |
| C34 | C33 | C32 | H61 | 38.4° | 60.0° |
| C34 | C33 | H62 | H63 | 118.7° | 120.0° |
| C33 | C34 | H64 | H65 | 117.6° | 120.1° |
| C33 | C34 | C35 | H66 | 177.2° | 55.0° |
| C34 | C35 | C36 | C37 | 126.9° | 120.0° |
| C34 | C35 | C36 | H66 | 116.6° | 120.0° |
| C34 | C35 | C37 | H66 | 117.1° | 120.0° |
| C34 | C35 | C37 | C38 | 164.4° | 175.0° |
| C35 | C34 | C33 | H62 | 94.7° | 60.0° |
| C35 | C34 | C33 | H63 | 24.5° | 60.0° |
| C35 | C34 | H64 | H65 | 117.6° | 119.9° |
| C34 | C35 | C36 | H68 | 180.0° | 60.0° |
| C34 | C35 | C36 | H69 | 60.0° | 180.0° |
| C34 | C35 | C36 | H67 | 60.0° | 60.0° |
| C34 | C35 | C37 | H70 | 43.8° | 55.0° |
| C34 | C35 | C37 | H71 | 75.0° | 65.1° |
| C36 | C35 | C37 | H66 | 116.4° | 120.0° |
| C36 | C35 | C37 | C38 | 69.1° | 65.0° |
| C36 | C35 | C34 | H64 | 60.1° | 175.0° |
| C36 | C35 | C34 | H65 | 178.5° | 55.0° |
| C35 | C36 | H68 | H69 | 120.0° | 120.0° |
| C35 | C36 | H68 | H67 | 120.0° | 119.9° |
| C35 | C36 | H69 | H67 | 120.0° | 120.0° |
| C36 | C35 | C37 | H70 | 170.3° | 175.0° |
| C36 | C35 | C37 | H71 | 51.6° | 55.0° |
| C35 | C37 | C38 | H70 | 120.6° | 120.0° |
| C35 | C37 | C38 | H71 | 120.6° | 120.0° |
| C35 | C37 | C38 | C39 | 73.1° | 180.0° |
| C37 | C35 | C34 | H64 | 173.6° | 55.0° |
| C37 | C35 | C34 | H65 | 55.1° | 65.0° |
| C37 | C35 | C36 | H68 | 53.1° | 180.0° |
| C37 | C35 | C36 | H69 | 66.9° | 60.0° |
| C37 | C35 | C36 | H67 | 173.1° | 60.0° |
| C35 | C37 | H70 | H71 | 118.0° | 120.0° |
| C35 | C37 | C38 | H72 | 166.3° | 60.0° |
| C35 | C37 | C38 | H73 | 47.6° | 60.0° |
| C37 | C38 | C39 | H72 | 120.7° | 120.0° |
| C37 | C38 | C39 | H73 | 120.7° | 120.0° |
| C37 | C38 | C39 | C40 | 165.4° | 179.9° |
| C38 | C37 | C35 | H66 | 47.3° | 55.0° |
| C38 | C37 | H70 | H71 | 118.1° | 120.0° |
| C37 | C38 | H72 | H73 | 117.9° | 120.1° |
| C37 | C38 | C39 | H74 | 74.0° | 60.0° |
| C37 | C38 | C39 | H75 | 44.7° | 60.0° |
| C38 | C39 | C40 | H74 | 120.7° | 120.1° |
| C38 | C39 | C40 | H75 | 120.7° | 120.0° |
| C38 | C39 | C40 | C41 | 67.1° | 65.0° |
| C38 | C39 | C40 | C42 | 167.2° | 175.0° |
| C39 | C38 | C37 | H70 | 47.5° | 60.0° |
| C39 | C38 | C37 | H71 | 166.3° | 60.0° |
| C39 | C38 | H72 | H73 | 117.9° | 119.9° |
| C38 | C39 | H74 | H75 | 118.0° | 120.0° |
| C38 | C39 | C40 | H76 | 49.7° | 55.0° |
| C39 | C40 | C41 | C42 | 126.5° | 120.1° |
| C39 | C40 | C41 | H76 | 116.8° | 120.0° |
| C39 | C40 | C42 | H76 | 117.6° | 120.0° |
| C39 | C40 | C42 | C43 | 61.3° | 175.0° |
| C40 | C39 | C38 | H72 | 44.7° | 59.9° |
| C40 | C39 | C38 | H73 | 73.9° | 60.0° |
| C40 | C39 | H74 | H75 | 117.9° | 119.9° |
| C39 | C40 | C41 | H79 | 180.0° | 60.0° |
| C39 | C40 | C41 | H77 | 60.0° | 59.9° |
| C39 | C40 | C41 | H78 | 60.0° | 179.9° |
| C39 | C40 | C42 | H80 | 59.5° | 54.9° |
| C39 | C40 | C42 | H81 | 178.1° | 65.0° |
| C41 | C40 | C42 | H76 | 116.7° | 119.9° |
| C41 | C40 | C42 | C43 | 173.0° | 65.0° |
| C41 | C40 | C39 | H74 | 172.2° | 175.0° |
| C41 | C40 | C39 | H75 | 53.6° | 55.0° |
| C40 | C41 | H79 | H77 | 120.0° | 119.9° |
| C40 | C41 | H79 | H78 | 120.0° | 120.1° |
| C40 | C41 | H77 | H78 | 120.0° | 120.0° |
| C41 | C40 | C42 | H80 | 66.3° | 175.0° |
| C41 | C40 | C42 | H81 | 52.3° | 55.1° |
| C40 | C42 | C43 | H80 | 120.7° | 120.0° |
| C40 | C42 | C43 | H81 | 120.7° | 120.0° |
| C40 | C42 | C43 | C44 | 134.0° | 180.0° |
| C42 | C40 | C39 | H74 | 46.6° | 54.9° |
| C42 | C40 | C39 | H75 | 72.1° | 65.0° |
| C42 | C40 | C41 | H79 | 53.5° | 60.0° |
| C42 | C40 | C41 | H77 | 66.5° | 180.0° |
| C42 | C40 | C41 | H78 | 173.5° | 60.0° |
| C40 | C42 | H80 | H81 | 117.8° | 120.0° |
| C40 | C42 | C43 | H82 | 13.2° | 60.0° |
| C40 | C42 | C43 | H83 | 105.3° | 60.0° |
| C42 | C43 | C44 | H82 | 120.7° | 120.0° |
| C42 | C43 | C44 | H83 | 120.7° | 120.0° |
| C42 | C43 | C44 | C45 | 178.7° | 180.0° |
| C43 | C42 | C40 | H76 | 56.3° | 55.0° |
| C43 | C42 | H80 | H81 | 117.8° | 120.0° |
| C42 | C43 | H82 | H83 | 117.8° | 120.0° |
| C42 | C43 | C44 | H84 | 57.8° | 60.0° |
| C42 | C43 | C44 | H85 | 60.5° | 60.0° |
| C43 | C44 | C45 | H84 | 120.9° | 120.0° |
| C43 | C44 | C45 | H85 | 120.8° | 120.0° |
| C43 | C44 | C45 | C46 | 111.0° | 65.0° |
| C43 | C44 | C45 | C47 | 125.0° | 175.0° |
| C44 | C43 | C42 | H80 | 105.3° | 60.0° |
| C44 | C43 | C42 | H81 | 13.3° | 60.0° |
| C44 | C43 | H82 | H83 | 117.8° | 120.0° |
| C43 | C44 | H84 | H85 | 117.3° | 120.0° |
| C43 | C44 | C45 | H86 | 7.0° | 55.0° |
| C44 | C45 | C46 | C47 | 124.5° | 120.0° |
| C44 | C45 | C46 | H86 | 118.1° | 120.0° |
| C44 | C45 | C47 | H86 | 118.0° | 120.0° |
| C45 | C44 | C43 | H82 | 60.6° | 60.0° |
| C45 | C44 | C43 | H83 | 58.0° | 60.0° |
| C45 | C44 | H84 | H85 | 117.3° | 120.0° |
| C44 | C45 | C46 | H88 | 180.0° | 180.0° |
| C44 | C45 | C46 | H89 | 60.0° | 60.0° |
| C44 | C45 | C46 | H87 | 60.0° | 60.0° |
| C44 | C45 | C47 | H91 | 180.0° | 60.0° |
| C44 | C45 | C47 | H92 | 60.0° | 180.0° |
| C44 | C45 | C47 | H90 | 60.0° | 60.0° |
| C46 | C45 | C47 | H86 | 117.4° | 120.0° |
| C46 | C45 | C44 | H84 | 128.1° | 55.0° |
| C46 | C45 | C44 | H85 | 9.8° | 175.0° |
| C45 | C46 | H88 | H89 | 120.0° | 120.0° |
| C45 | C46 | H88 | H87 | 120.0° | 120.0° |
| C45 | C46 | H89 | H87 | 120.0° | 120.0° |
| C46 | C45 | C47 | H91 | 55.5° | 180.0° |
| C46 | C45 | C47 | H92 | 175.5° | 60.0° |
| C46 | C45 | C47 | H90 | 64.5° | 60.0° |
| C47 | C45 | C44 | H84 | 4.1° | 65.0° |
| C47 | C45 | C44 | H85 | 114.2° | 55.0° |
| C47 | C45 | C46 | H88 | 55.5° | 60.0° |
| C47 | C45 | C46 | H89 | 64.5° | 180.0° |
| C47 | C45 | C46 | H87 | 175.5° | 60.0° |
| C45 | C47 | H91 | H92 | 120.0° | 120.0° |
| C45 | C47 | H91 | H90 | 120.0° | 120.0° |
| C45 | C47 | H92 | H90 | 120.0° | 119.9° |
| C48 | C31 | C30 | H57 | 70.4° | 59.9° |
| C48 | C31 | C30 | H58 | 47.8° | 180.0° |
| C48 | C31 | C32 | H60 | 69.3° | 65.0° |
| C48 | C31 | C32 | H61 | 173.0° | 175.0° |
| C31 | C48 | H94 | H95 | 120.0° | 120.0° |
| C31 | C48 | H94 | H93 | 120.0° | 120.0° |
| C31 | C48 | H95 | H93 | 120.0° | 119.9° |
| C48 | C31 | O12 | H59 | 60.4° | 180.0° |
| C49 | C2 | C1 | H1 | 55.6° | 60.0° |
| C49 | C2 | C1 | H2 | 64.4° | 180.0° |
| C49 | C2 | C1 | H3 | 175.5° | 60.0° |
| C49 | C2 | C3 | H5 | 167.3° | 55.1° |
| C49 | C2 | C3 | H6 | 49.0° | 65.0° |
| C2 | C49 | H97 | H98 | 120.0° | 120.0° |
| C2 | C49 | H97 | H96 | 120.0° | 120.0° |
| C2 | C49 | H98 | H96 | 120.0° | 120.0° |
| C28 | C23 | C24 | H45 | 64.8° | 59.9° |
| C23 | C28 | C27 | H48 | 59.4° | 60.0° |
| C23 | C28 | O5 | H50 | 59.0° | 179.9° |
| H7 | C4 | C5 | H9 | 76.3° | 60.1° |
| H7 | C4 | C5 | H10 | 42.3° | 180.0° |
| H7 | C4 | C3 | H5 | 151.5° | 180.0° |
| H7 | C4 | C3 | H6 | 90.2° | 60.0° |
| H8 | C4 | C5 | H9 | 165.4° | 180.0° |
| H8 | C4 | C5 | H10 | 76.0° | 60.0° |
| H8 | C4 | C3 | H5 | 33.2° | 59.9° |
| H8 | C4 | C3 | H6 | 151.5° | 180.0° |
| H9 | C5 | C6 | H11 | 153.4° | 175.0° |
| H10 | C5 | C6 | H11 | 88.0° | 65.0° |
| H11 | C6 | C7 | H14 | 63.6° | 180.0° |
| H11 | C6 | C7 | H12 | 56.4° | 60.0° |
| H11 | C6 | C7 | H13 | 176.4° | 60.0° |
| H11 | C6 | C8 | H16 | 72.8° | 175.0° |
| H11 | C6 | C8 | H15 | 45.8° | 65.0° |
| H14 | C7 | H12 | H13 | 120.0° | 120.0° |
| H16 | C8 | C9 | H17 | 97.3° | 180.0° |
| H16 | C8 | C9 | H18 | 21.2° | 60.0° |
| H15 | C8 | C9 | H17 | 144.2° | 60.0° |
| H15 | C8 | C9 | H18 | 97.4° | 180.0° |
| H19 | C10 | C9 | H17 | 158.5° | 179.9° |
| H19 | C10 | C9 | H18 | 83.1° | 60.0° |
| H19 | C10 | C11 | H21 | 144.9° | 175.0° |
| H20 | C10 | C9 | H17 | 39.8° | 60.0° |
| H20 | C10 | C9 | H18 | 158.2° | 180.0° |
| H20 | C10 | C11 | H21 | 96.4° | 65.0° |
| H25 | C13 | C14 | H27 | 150.4° | 60.0° |
| H25 | C13 | C14 | H28 | 90.9° | 179.9° |
| H25 | C13 | C11 | H21 | 65.0° | 64.9° |
| H26 | C13 | C14 | H27 | 31.7° | 180.0° |
| H26 | C13 | C14 | H28 | 150.5° | 60.0° |
| H26 | C13 | C11 | H21 | 176.3° | 175.1° |
| H29 | C15 | C16 | H31 | 161.7° | 65.0° |
| H29 | C15 | C14 | H27 | 177.7° | 60.0° |
| H29 | C15 | C14 | H28 | 58.9° | 180.0° |
| H30 | C15 | C16 | H31 | 79.7° | 175.0° |
| H30 | C15 | C14 | H27 | 63.8° | 180.0° |
| H30 | C15 | C14 | H28 | 177.5° | 60.0° |
| H33 | C17 | H32 | H34 | 120.0° | 120.0° |
| H33 | C17 | C16 | H31 | 63.7° | 60.0° |
| H32 | C17 | C16 | H31 | 56.3° | 60.0° |
| H34 | C17 | C16 | H31 | 176.4° | 180.0° |
| H39 | C20 | C21 | H41 | 73.2° | 55.0° |
| H40 | C20 | C21 | H41 | 166.4° | 65.0° |
| H41 | C21 | C22 | H42 | 57.3° | 65.0° |
| H41 | C21 | C22 | H43 | 177.3° | 55.0° |
| H35 | C18 | C19 | H37 | 165.1° | 60.0° |
| H35 | C18 | C19 | H38 | 44.6° | 180.0° |
| H35 | C18 | C16 | H31 | 164.5° | 64.9° |
| H36 | C18 | C19 | H37 | 77.3° | 180.0° |
| H36 | C18 | C19 | H38 | 162.2° | 60.0° |
| H36 | C18 | C16 | H31 | 46.9° | 175.0° |
| H4 | C2 | C1 | H1 | 61.7° | 180.0° |
| H4 | C2 | C1 | H2 | 178.3° | 60.0° |
| H4 | C2 | C1 | H3 | 58.2° | 60.0° |
| H4 | C2 | C3 | H5 | 74.7° | 64.9° |
| H4 | C2 | C3 | H6 | 167.0° | 175.0° |
| H4 | C2 | C49 | H97 | 62.7° | 180.0° |
| H4 | C2 | C49 | H98 | 177.3° | 60.0° |
| H4 | C2 | C49 | H96 | 57.3° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H24 | C12 | H22 | H23 | 120.0° | 119.9° |
| H24 | C12 | C11 | H21 | 63.6° | 180.0° |
| H22 | C12 | C11 | H21 | 56.4° | 60.0° |
| H23 | C12 | C11 | H21 | 176.4° | 59.9° |
| H44 | C23 | C24 | H45 | 175.3° | 180.0° |
| H44 | C23 | C28 | H49 | 56.0° | 59.9° |
| H45 | C24 | C25 | H46 | 173.9° | 180.0° |
| H45 | C24 | O9 | H54 | 61.4° | 60.0° |
| H46 | C25 | C26 | H47 | 175.8° | 180.0° |
| H46 | C25 | O8 | H53 | 61.3° | 60.1° |
| H47 | C26 | C27 | H48 | 179.8° | 180.0° |
| H47 | C26 | O7 | H52 | 61.0° | 60.0° |
| H48 | C27 | C28 | H49 | 59.1° | 60.0° |
| H48 | C27 | O6 | H51 | 61.0° | 60.0° |
| H49 | C28 | O5 | H50 | 60.7° | 60.1° |
| H55 | C29 | C30 | H57 | 57.5° | 59.9° |
| H55 | C29 | C30 | H58 | 60.6° | 180.0° |
| H56 | C29 | C30 | H57 | 176.8° | 180.0° |
| H56 | C29 | C30 | H58 | 58.6° | 60.0° |
| H60 | C32 | C33 | H62 | 160.2° | 180.0° |
| H60 | C32 | C33 | H63 | 41.1° | 60.0° |
| H61 | C32 | C33 | H62 | 82.1° | 60.0° |
| H61 | C32 | C33 | H63 | 158.8° | 180.0° |
| H62 | C33 | C34 | H64 | 144.5° | 180.0° |
| H62 | C33 | C34 | H65 | 26.1° | 59.9° |
| H63 | C33 | C34 | H64 | 96.3° | 60.0° |
| H63 | C33 | C34 | H65 | 145.2° | 179.9° |
| H64 | C34 | C35 | H66 | 56.5° | 65.0° |
| H65 | C34 | C35 | H66 | 62.0° | 175.0° |
| H66 | C35 | C36 | H68 | 63.4° | 60.0° |
| H66 | C35 | C36 | H69 | 176.6° | 60.0° |
| H66 | C35 | C36 | H67 | 56.6° | 180.0° |
| H66 | C35 | C37 | H70 | 73.3° | 65.0° |
| H66 | C35 | C37 | H71 | 168.0° | 174.9° |
| H68 | C36 | H69 | H67 | 120.0° | 120.0° |
| H70 | C37 | C38 | H72 | 73.1° | 180.0° |
| H70 | C37 | C38 | H73 | 168.2° | 60.0° |
| H71 | C37 | C38 | H72 | 45.7° | 60.0° |
| H71 | C37 | C38 | H73 | 73.0° | 180.0° |
| H72 | C38 | C39 | H74 | 165.4° | 180.0° |
| H72 | C38 | C39 | H75 | 75.9° | 60.0° |
| H73 | C38 | C39 | H74 | 46.7° | 60.0° |
| H73 | C38 | C39 | H75 | 165.4° | 180.0° |
| H74 | C39 | C40 | H76 | 71.0° | 65.1° |
| H75 | C39 | C40 | H76 | 170.3° | 175.0° |
| H76 | C40 | C41 | H79 | 63.2° | 180.0° |
| H76 | C40 | C41 | H77 | 176.8° | 60.0° |
| H76 | C40 | C41 | H78 | 56.8° | 60.0° |
| H76 | C40 | C42 | H80 | 177.1° | 65.0° |
| H76 | C40 | C42 | H81 | 64.3° | 175.0° |
| H79 | C41 | H77 | H78 | 120.0° | 120.0° |
| H80 | C42 | C43 | H82 | 134.0° | 179.9° |
| H80 | C42 | C43 | H83 | 15.4° | 60.0° |
| H81 | C42 | C43 | H82 | 107.4° | 60.0° |
| H81 | C42 | C43 | H83 | 134.0° | 180.0° |
| H82 | C43 | C44 | H84 | 178.6° | 179.9° |
| H82 | C43 | C44 | H85 | 60.2° | 60.0° |
| H83 | C43 | C44 | H84 | 62.9° | 60.0° |
| H83 | C43 | C44 | H85 | 178.8° | 179.9° |
| H84 | C44 | C45 | H86 | 113.8° | 175.1° |
| H85 | C44 | C45 | H86 | 127.9° | 65.0° |
| H86 | C45 | C46 | H88 | 61.9° | 60.0° |
| H86 | C45 | C46 | H89 | 178.1° | 60.0° |
| H86 | C45 | C46 | H87 | 58.1° | 180.0° |
| H86 | C45 | C47 | H91 | 62.0° | 60.0° |
| H86 | C45 | C47 | H92 | 58.0° | 60.0° |
| H86 | C45 | C47 | H90 | 178.0° | 180.0° |
| H88 | C46 | H89 | H87 | 120.0° | 120.0° |
| H91 | C47 | H92 | H90 | 120.0° | 120.1° |
| H94 | C48 | H95 | H93 | 120.0° | 120.0° |
| H97 | C49 | H98 | H96 | 120.0° | 120.0° |
