A1JAP
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 | 1.52Å | |
| 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 | 1.52Å | |
| 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 | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | O2 | sing | 1.43Å | 1.45Å | |
| O2 | P1 | sing | 1.61Å | 1.61Å | |
| P1 | O3 | sing | 1.61Å | 1.48Å | |
| P1 | O4 | sing | 1.61Å | 1.61Å | |
| O4 | C23 | sing | 1.43Å | 1.43Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | N1 | sing | 1.47Å | 1.49Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| C25 | O5 | sing | 1.34Å | 1.25Å | |
| C25 | O6 | doub | 1.21Å | 1.25Å | |
| P1 | O7 | doub | 1.48Å | 1.48Å | |
| C21 | O8 | sing | 1.43Å | 1.44Å | |
| O8 | C26 | sing | 1.43Å | 1.43Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C28 | O9 | sing | 1.43Å | 1.44Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C32 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C37 | C39 | sing | 1.53Å | 1.52Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C41 | C42 | sing | 1.53Å | 1.51Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C42 | C44 | sing | 1.53Å | 1.52Å | |
| C28 | C45 | sing | 1.53Å | 1.52Å | |
| C2 | C46 | sing | 1.53Å | 1.52Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | 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 | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H34 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H33 | 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 | |
| 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 | |
| C23 | H45 | sing | 1.09Å | 1.10Å | |
| C23 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H46 | sing | 1.09Å | 1.10Å | |
| C26 | H50 | sing | 1.09Å | 1.10Å | |
| C26 | H51 | sing | 1.09Å | 1.10Å | |
| C27 | H52 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | 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 | |
| C31 | H59 | sing | 1.09Å | 1.10Å | |
| C31 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H61 | sing | 1.09Å | 1.10Å | |
| C33 | H63 | sing | 1.09Å | 1.10Å | |
| C33 | H64 | sing | 1.09Å | 1.10Å | |
| C33 | H62 | sing | 1.09Å | 1.10Å | |
| C34 | H65 | sing | 1.09Å | 1.10Å | |
| C34 | H66 | sing | 1.09Å | 1.10Å | |
| C35 | H67 | sing | 1.09Å | 1.10Å | |
| C35 | H68 | sing | 1.09Å | 1.10Å | |
| C36 | H69 | sing | 1.09Å | 1.10Å | |
| C36 | H70 | sing | 1.09Å | 1.10Å | |
| C37 | H71 | sing | 1.09Å | 1.10Å | |
| C38 | H74 | sing | 1.09Å | 1.10Å | |
| C38 | H72 | sing | 1.09Å | 1.10Å | |
| C38 | H73 | sing | 1.09Å | 1.10Å | |
| C39 | H75 | sing | 1.09Å | 1.10Å | |
| C39 | H76 | sing | 1.09Å | 1.10Å | |
| C40 | H77 | sing | 1.09Å | 1.10Å | |
| C40 | H78 | sing | 1.09Å | 1.10Å | |
| C41 | H79 | sing | 1.09Å | 1.10Å | |
| C41 | 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 | |
| C43 | H84 | sing | 1.09Å | 1.10Å | |
| C44 | H87 | sing | 1.09Å | 1.10Å | |
| C44 | H85 | sing | 1.09Å | 1.10Å | |
| C44 | H86 | sing | 1.09Å | 1.10Å | |
| C45 | H89 | sing | 1.09Å | 1.10Å | |
| C45 | H90 | sing | 1.09Å | 1.10Å | |
| C45 | H88 | sing | 1.09Å | 1.10Å | |
| C46 | H92 | sing | 1.09Å | 1.10Å | |
| C46 | H93 | sing | 1.09Å | 1.10Å | |
| C46 | H91 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| N1 | H48 | sing | 1.01Å | 1.00Å | |
| N1 | H47 | sing | 1.01Å | 1.00Å | |
| O3 | H94 | sing | 0.97Å | 0.95Å | |
| O5 | H95 | 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 | 111.4° | 109.5° |
| C1 | C2 | C46 | 110.5° | 109.5° |
| C1 | C2 | H4 | 107.8° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C3 | C4 | 115.4° | 109.5° |
| C3 | C2 | C46 | 111.3° | 109.5° |
| C2 | C3 | H6 | 108.0° | 109.5° |
| C2 | C3 | H5 | 108.0° | 109.4° |
| C3 | C2 | H4 | 107.9° | 109.5° |
| C3 | C4 | C5 | 114.3° | 109.4° |
| C4 | C3 | H6 | 108.0° | 109.5° |
| C4 | C3 | H5 | 108.0° | 109.5° |
| C3 | C4 | H7 | 108.3° | 109.5° |
| C3 | C4 | H8 | 108.3° | 109.5° |
| C4 | C5 | C6 | 114.1° | 109.5° |
| C5 | C4 | H7 | 108.2° | 109.5° |
| C5 | C4 | H8 | 108.3° | 109.5° |
| C4 | C5 | H9 | 108.3° | 109.5° |
| C4 | C5 | H10 | 108.3° | 109.5° |
| C5 | C6 | C7 | 111.1° | 109.4° |
| C5 | C6 | C8 | 113.3° | 109.5° |
| C6 | C5 | H9 | 108.3° | 109.5° |
| C6 | C5 | H10 | 108.3° | 109.4° |
| C5 | C6 | H11 | 107.0° | 109.4° |
| C7 | C6 | C8 | 111.0° | 109.5° |
| C7 | C6 | H11 | 107.0° | 109.5° |
| C6 | C7 | H13 | 109.5° | 109.5° |
| C6 | C7 | H14 | 109.5° | 109.5° |
| C6 | C7 | H12 | 109.5° | 109.5° |
| C6 | C8 | C9 | 114.2° | 109.4° |
| C8 | C6 | H11 | 107.0° | 109.5° |
| C6 | C8 | H15 | 108.3° | 109.5° |
| C6 | C8 | H16 | 108.3° | 109.5° |
| C8 | C9 | C10 | 114.3° | 109.4° |
| C9 | C8 | H15 | 108.3° | 109.4° |
| C9 | C8 | H16 | 108.3° | 109.5° |
| C8 | C9 | H18 | 108.2° | 109.5° |
| C8 | C9 | H17 | 108.2° | 109.4° |
| C9 | C10 | C11 | 114.5° | 109.5° |
| C9 | C10 | H19 | 108.2° | 109.5° |
| C9 | C10 | H20 | 108.2° | 109.5° |
| C10 | C9 | H18 | 108.3° | 109.5° |
| C10 | C9 | H17 | 108.3° | 109.5° |
| C10 | C11 | C12 | 111.9° | 109.5° |
| C10 | C11 | C13 | 111.1° | 109.5° |
| C11 | C10 | H19 | 108.2° | 109.5° |
| C11 | C10 | H20 | 108.2° | 109.5° |
| C10 | C11 | H21 | 107.3° | 109.5° |
| C12 | C11 | C13 | 111.8° | 109.5° |
| C12 | C11 | H21 | 107.2° | 109.5° |
| C11 | C12 | H24 | 109.5° | 109.4° |
| C11 | C12 | H22 | 109.5° | 109.5° |
| C11 | C12 | H23 | 109.5° | 109.5° |
| C11 | C13 | C14 | 114.4° | 109.5° |
| C13 | C11 | H21 | 107.3° | 109.5° |
| C11 | C13 | H25 | 108.3° | 109.5° |
| C11 | C13 | H26 | 108.2° | 109.5° |
| C13 | C14 | C15 | 113.8° | 109.5° |
| C14 | C13 | H25 | 108.2° | 109.5° |
| C14 | C13 | H26 | 108.3° | 109.4° |
| C13 | C14 | H27 | 108.4° | 109.5° |
| C13 | C14 | H28 | 108.4° | 109.5° |
| C14 | C15 | C16 | 113.9° | 109.5° |
| C15 | C14 | H27 | 108.4° | 109.5° |
| C15 | C14 | H28 | 108.4° | 109.4° |
| C14 | C15 | H29 | 108.4° | 109.5° |
| C14 | C15 | H30 | 108.4° | 109.4° |
| C15 | C16 | C17 | 111.5° | 109.4° |
| C15 | C16 | C18 | 113.0° | 109.4° |
| C16 | C15 | H29 | 108.4° | 109.5° |
| C16 | C15 | H30 | 108.3° | 109.5° |
| C15 | C16 | H31 | 107.1° | 109.5° |
| C17 | C16 | C18 | 110.9° | 109.5° |
| C17 | C16 | H31 | 107.0° | 109.5° |
| C16 | C17 | H34 | 109.5° | 109.4° |
| C16 | C17 | H32 | 109.5° | 109.4° |
| C16 | C17 | H33 | 109.5° | 109.5° |
| C16 | C18 | C19 | 115.4° | 109.4° |
| C18 | C16 | H31 | 107.1° | 109.5° |
| C16 | C18 | H35 | 108.0° | 109.5° |
| C16 | C18 | H36 | 108.0° | 109.4° |
| C18 | C19 | O1 | 109.3° | 109.5° |
| C19 | C18 | H35 | 108.0° | 109.5° |
| C19 | C18 | H36 | 108.0° | 109.5° |
| C18 | C19 | H37 | 109.5° | 109.4° |
| C18 | C19 | H38 | 109.5° | 109.5° |
| C19 | O1 | C20 | 114.1° | 114.0° |
| O1 | C19 | H37 | 109.5° | 109.5° |
| O1 | C19 | H38 | 109.5° | 109.5° |
| O1 | C20 | C21 | 108.7° | 109.5° |
| O1 | C20 | H39 | 109.6° | 109.4° |
| O1 | C20 | H40 | 109.6° | 109.5° |
| C20 | C21 | C22 | 112.9° | 109.5° |
| C20 | C21 | O8 | 110.2° | 109.5° |
| C21 | C20 | H39 | 109.7° | 109.4° |
| C21 | C20 | H40 | 109.7° | 109.5° |
| C20 | C21 | H41 | 109.0° | 109.5° |
| C21 | C22 | O2 | 109.2° | 109.5° |
| C22 | C21 | O8 | 105.4° | 109.4° |
| C22 | C21 | H41 | 109.1° | 109.5° |
| C21 | C22 | H42 | 109.5° | 109.5° |
| C21 | C22 | H43 | 109.5° | 109.4° |
| C22 | O2 | P1 | 117.8° | 123.0° |
| O2 | C22 | H42 | 109.5° | 109.5° |
| O2 | C22 | H43 | 109.5° | 109.5° |
| O2 | P1 | O3 | 109.0° | 109.5° |
| O2 | P1 | O4 | 99.0° | 109.5° |
| O2 | P1 | O7 | 108.7° | 109.4° |
| O3 | P1 | O4 | 109.2° | 109.5° |
| O3 | P1 | O7 | 120.3° | 109.5° |
| P1 | O3 | H94 | 109.5° | 114.0° |
| P1 | O4 | C23 | 121.0° | 123.0° |
| O4 | P1 | O7 | 108.6° | 109.5° |
| O4 | C23 | C24 | 107.7° | 109.5° |
| O4 | C23 | H45 | 109.9° | 109.5° |
| O4 | C23 | H44 | 109.9° | 109.4° |
| C23 | C24 | N1 | 110.1° | 109.4° |
| C23 | C24 | C25 | 111.8° | 109.5° |
| C24 | C23 | H45 | 109.9° | 109.4° |
| C24 | C23 | H44 | 109.9° | 109.5° |
| C23 | C24 | H46 | 108.3° | 109.5° |
| N1 | C24 | C25 | 109.7° | 109.5° |
| N1 | C24 | H46 | 108.7° | 109.5° |
| C24 | N1 | H48 | 109.5° | 111.0° |
| C24 | N1 | H47 | 109.5° | 111.0° |
| C24 | C25 | O5 | 117.2° | 120.0° |
| C24 | C25 | O6 | 117.3° | 120.0° |
| C25 | C24 | H46 | 108.1° | 109.5° |
| O5 | C25 | O6 | 125.6° | 120.0° |
| C25 | O5 | H95 | 109.5° | 116.9° |
| C21 | O8 | C26 | 116.4° | 114.0° |
| O8 | C21 | H41 | 110.1° | 109.5° |
| O8 | C26 | C27 | 108.7° | 109.5° |
| O8 | C26 | H50 | 109.7° | 109.5° |
| O8 | C26 | H51 | 109.7° | 109.5° |
| C26 | C27 | C28 | 112.8° | 109.5° |
| C27 | C26 | H50 | 109.6° | 109.5° |
| C27 | C26 | H51 | 109.7° | 109.5° |
| C26 | C27 | H52 | 108.6° | 109.5° |
| C26 | C27 | H53 | 108.6° | 109.5° |
| C27 | C28 | O9 | 106.6° | 109.4° |
| C27 | C28 | C29 | 113.4° | 109.5° |
| C27 | C28 | C45 | 111.2° | 109.4° |
| C28 | C27 | H52 | 108.6° | 109.5° |
| C28 | C27 | H53 | 108.6° | 109.5° |
| O9 | C28 | C29 | 106.9° | 109.5° |
| O9 | C28 | C45 | 107.3° | 109.5° |
| C28 | O9 | H54 | 109.5° | 114.1° |
| C28 | C29 | C30 | 117.3° | 109.5° |
| C29 | C28 | C45 | 111.1° | 109.5° |
| C28 | C29 | H55 | 107.5° | 109.5° |
| C28 | C29 | H56 | 107.5° | 109.5° |
| C29 | C30 | C31 | 113.2° | 109.5° |
| C30 | C29 | H55 | 107.5° | 109.5° |
| C30 | C29 | H56 | 107.4° | 109.4° |
| C29 | C30 | H57 | 108.5° | 109.5° |
| C29 | C30 | H58 | 108.5° | 109.5° |
| C30 | C31 | C32 | 114.5° | 109.5° |
| C31 | C30 | H57 | 108.5° | 109.5° |
| C31 | C30 | H58 | 108.6° | 109.4° |
| C30 | C31 | H59 | 108.2° | 109.5° |
| C30 | C31 | H60 | 108.2° | 109.5° |
| C31 | C32 | C33 | 111.3° | 109.5° |
| C31 | C32 | C34 | 113.9° | 109.5° |
| C32 | C31 | H59 | 108.2° | 109.5° |
| C32 | C31 | H60 | 108.2° | 109.4° |
| C31 | C32 | H61 | 106.7° | 109.5° |
| C33 | C32 | C34 | 111.2° | 109.5° |
| C33 | C32 | H61 | 106.6° | 109.5° |
| C32 | C33 | H63 | 109.5° | 109.5° |
| C32 | C33 | H64 | 109.5° | 109.5° |
| C32 | C33 | H62 | 109.5° | 109.4° |
| C32 | C34 | C35 | 114.3° | 109.5° |
| C34 | C32 | H61 | 106.7° | 109.4° |
| C32 | C34 | H65 | 108.3° | 109.5° |
| C32 | C34 | H66 | 108.3° | 109.4° |
| C34 | C35 | C36 | 114.1° | 109.5° |
| C35 | C34 | H65 | 108.3° | 109.5° |
| C35 | C34 | H66 | 108.3° | 109.5° |
| C34 | C35 | H67 | 108.3° | 109.5° |
| C34 | C35 | H68 | 108.3° | 109.4° |
| C35 | C36 | C37 | 114.0° | 109.5° |
| C36 | C35 | H67 | 108.3° | 109.5° |
| C36 | C35 | H68 | 108.3° | 109.5° |
| C35 | C36 | H69 | 108.3° | 109.5° |
| C35 | C36 | H70 | 108.3° | 109.5° |
| C36 | C37 | C38 | 111.7° | 109.5° |
| C36 | C37 | C39 | 111.2° | 109.5° |
| C37 | C36 | H69 | 108.3° | 109.5° |
| C37 | C36 | H70 | 108.3° | 109.4° |
| C36 | C37 | H71 | 107.4° | 109.5° |
| C38 | C37 | C39 | 111.6° | 109.4° |
| C38 | C37 | H71 | 107.3° | 109.5° |
| C37 | C38 | H74 | 109.5° | 109.4° |
| C37 | C38 | H72 | 109.5° | 109.5° |
| C37 | C38 | H73 | 109.5° | 109.5° |
| C37 | C39 | C40 | 114.0° | 109.4° |
| C39 | C37 | H71 | 107.4° | 109.5° |
| C37 | C39 | H75 | 108.3° | 109.4° |
| C37 | C39 | H76 | 108.3° | 109.5° |
| C39 | C40 | C41 | 113.8° | 109.5° |
| C40 | C39 | H75 | 108.3° | 109.5° |
| C40 | C39 | H76 | 108.3° | 109.5° |
| C39 | C40 | H77 | 108.4° | 109.5° |
| C39 | C40 | H78 | 108.4° | 109.5° |
| C40 | C41 | C42 | 115.6° | 109.5° |
| C41 | C40 | H77 | 108.4° | 109.5° |
| C41 | C40 | H78 | 108.4° | 109.5° |
| C40 | C41 | H79 | 107.9° | 109.5° |
| C40 | C41 | H80 | 107.9° | 109.5° |
| C41 | C42 | C43 | 111.3° | 109.5° |
| C41 | C42 | C44 | 111.5° | 109.5° |
| C42 | C41 | H79 | 107.9° | 109.5° |
| C42 | C41 | H80 | 107.9° | 109.5° |
| C41 | C42 | H81 | 107.9° | 109.5° |
| C43 | C42 | C44 | 110.5° | 109.5° |
| C43 | C42 | H81 | 107.8° | 109.5° |
| C42 | C43 | H82 | 109.5° | 109.5° |
| C42 | C43 | H83 | 109.5° | 109.5° |
| C42 | C43 | H84 | 109.5° | 109.5° |
| C44 | C42 | H81 | 107.8° | 109.5° |
| C42 | C44 | H87 | 109.5° | 109.4° |
| C42 | C44 | H85 | 109.5° | 109.4° |
| C42 | C44 | H86 | 109.4° | 109.5° |
| C28 | C45 | H89 | 109.5° | 109.5° |
| C28 | C45 | H90 | 109.5° | 109.5° |
| C28 | C45 | H88 | 109.5° | 109.5° |
| C46 | C2 | H4 | 107.8° | 109.5° |
| C2 | C46 | H92 | 109.5° | 109.5° |
| C2 | C46 | H93 | 109.5° | 109.5° |
| C2 | C46 | H91 | 109.5° | 109.5° |
| H6 | C3 | H5 | 109.5° | 109.4° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H9 | C5 | H10 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.4° | 109.5° |
| H19 | C10 | H20 | 109.5° | 109.4° |
| H24 | C12 | H22 | 109.5° | 109.5° |
| H24 | C12 | H23 | 109.5° | 109.4° |
| H22 | C12 | H23 | 109.5° | 109.5° |
| H25 | C13 | H26 | 109.4° | 109.5° |
| H27 | C14 | H28 | 109.4° | 109.4° |
| H29 | C15 | H30 | 109.4° | 109.5° |
| H34 | C17 | H32 | 109.4° | 109.5° |
| H34 | C17 | H33 | 109.5° | 109.5° |
| H32 | C17 | H33 | 109.4° | 109.5° |
| H35 | C18 | H36 | 109.5° | 109.5° |
| H37 | C19 | H38 | 109.5° | 109.5° |
| H39 | C20 | H40 | 109.5° | 109.5° |
| H42 | C22 | H43 | 109.5° | 109.5° |
| H45 | C23 | H44 | 109.4° | 109.5° |
| H50 | C26 | H51 | 109.4° | 109.5° |
| H52 | C27 | H53 | 109.5° | 109.4° |
| H55 | C29 | H56 | 109.5° | 109.5° |
| H57 | C30 | H58 | 109.5° | 109.4° |
| H59 | C31 | H60 | 109.5° | 109.5° |
| H63 | C33 | H64 | 109.4° | 109.6° |
| H63 | C33 | H62 | 109.5° | 109.4° |
| H64 | C33 | H62 | 109.4° | 109.5° |
| H65 | C34 | H66 | 109.5° | 109.5° |
| H67 | C35 | H68 | 109.4° | 109.4° |
| H69 | C36 | H70 | 109.5° | 109.4° |
| H74 | C38 | H72 | 109.5° | 109.4° |
| H74 | C38 | H73 | 109.5° | 109.5° |
| H72 | C38 | H73 | 109.4° | 109.5° |
| H75 | C39 | H76 | 109.5° | 109.5° |
| H77 | C40 | H78 | 109.5° | 109.5° |
| H79 | C41 | H80 | 109.5° | 109.4° |
| H82 | C43 | H83 | 109.5° | 109.5° |
| H82 | C43 | H84 | 109.5° | 109.5° |
| H83 | C43 | H84 | 109.4° | 109.4° |
| H87 | C44 | H85 | 109.5° | 109.5° |
| H87 | C44 | H86 | 109.4° | 109.5° |
| H85 | C44 | H86 | 109.5° | 109.6° |
| H89 | C45 | H90 | 109.5° | 109.4° |
| H89 | C45 | H88 | 109.4° | 109.5° |
| H90 | C45 | H88 | 109.5° | 109.4° |
| H92 | C46 | H93 | 109.5° | 109.4° |
| H92 | C46 | H91 | 109.4° | 109.4° |
| H93 | C46 | H91 | 109.5° | 109.5° |
| H13 | C7 | H14 | 109.5° | 109.4° |
| H13 | C7 | H12 | 109.5° | 109.5° |
| H14 | C7 | H12 | 109.4° | 109.5° |
| H15 | C8 | H16 | 109.4° | 109.5° |
| H18 | C9 | H17 | 109.5° | 109.5° |
| H48 | N1 | H47 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C46 | 123.9° | 120.0° |
| C1 | C2 | C3 | H4 | 118.1° | 120.0° |
| C1 | C2 | C3 | C4 | 164.1° | 65.0° |
| C1 | C2 | C46 | H4 | 117.5° | 120.0° |
| C1 | C2 | C3 | H6 | 75.0° | 55.0° |
| C1 | C2 | C3 | H5 | 43.2° | 175.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H1 | 120.0° | 120.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C1 | C2 | C46 | H92 | 180.0° | 180.0° |
| C1 | C2 | C46 | H93 | 60.0° | 60.0° |
| C1 | C2 | C46 | H91 | 60.0° | 60.0° |
| C2 | C3 | C4 | H6 | 120.8° | 120.0° |
| C2 | C3 | C4 | H5 | 120.9° | 120.0° |
| C2 | C3 | C4 | C5 | 118.4° | 180.0° |
| C3 | C2 | C46 | H4 | 118.1° | 120.0° |
| C2 | C3 | H6 | H5 | 117.3° | 119.9° |
| C2 | C3 | C4 | H7 | 121.0° | 60.0° |
| C2 | C3 | C4 | H8 | 2.3° | 60.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | C1 | H1 | 60.0° | 60.0° |
| C3 | C2 | C46 | H92 | 55.6° | 60.0° |
| C3 | C2 | C46 | H93 | 175.7° | 180.0° |
| C3 | C2 | C46 | H91 | 64.3° | 60.0° |
| C3 | C4 | C5 | H7 | 120.7° | 120.0° |
| C3 | C4 | C5 | H8 | 120.7° | 120.0° |
| C3 | C4 | C5 | C6 | 174.3° | 180.0° |
| C4 | C3 | C2 | C46 | 72.0° | 175.0° |
| C4 | C3 | H6 | H5 | 117.3° | 120.1° |
| C3 | C4 | H7 | H8 | 117.8° | 120.0° |
| C3 | C4 | C5 | H9 | 65.0° | 60.0° |
| C3 | C4 | C5 | H10 | 53.6° | 60.1° |
| C4 | C3 | C2 | H4 | 46.0° | 55.0° |
| C4 | C5 | C6 | H9 | 120.7° | 120.0° |
| C4 | C5 | C6 | H10 | 120.7° | 120.0° |
| C4 | C5 | C6 | C7 | 149.3° | 65.0° |
| C4 | C5 | C6 | C8 | 84.8° | 175.0° |
| C5 | C4 | C3 | H6 | 2.5° | 60.0° |
| C5 | C4 | C3 | H5 | 120.8° | 60.0° |
| C5 | C4 | H7 | H8 | 117.8° | 120.0° |
| C4 | C5 | H9 | H10 | 117.9° | 120.1° |
| C4 | C5 | C6 | H11 | 32.9° | 55.0° |
| C5 | C6 | C7 | C8 | 127.1° | 120.0° |
| C5 | C6 | C7 | H11 | 116.5° | 120.0° |
| C5 | C6 | C8 | H11 | 117.7° | 120.0° |
| C5 | C6 | C8 | C9 | 82.8° | 175.0° |
| C6 | C5 | C4 | H7 | 53.6° | 60.0° |
| C6 | C5 | C4 | H8 | 65.0° | 60.0° |
| C6 | C5 | H9 | H10 | 117.9° | 120.0° |
| C5 | C6 | C7 | H13 | 180.0° | 180.0° |
| C5 | C6 | C7 | H14 | 60.0° | 60.0° |
| C5 | C6 | C7 | H12 | 60.0° | 60.0° |
| C5 | C6 | C8 | H15 | 156.5° | 65.1° |
| C5 | C6 | C8 | H16 | 38.0° | 55.0° |
| C7 | C6 | C8 | H11 | 116.4° | 120.0° |
| C7 | C6 | C8 | C9 | 151.3° | 65.0° |
| C7 | C6 | C5 | H9 | 28.6° | 55.0° |
| C7 | C6 | C5 | H10 | 90.0° | 175.0° |
| C6 | C7 | H13 | H14 | 120.0° | 120.0° |
| C6 | C7 | H13 | H12 | 120.0° | 120.0° |
| C6 | C7 | H14 | H12 | 120.0° | 120.0° |
| C7 | C6 | C8 | H15 | 30.6° | 54.9° |
| C7 | C6 | C8 | H16 | 88.0° | 175.0° |
| C6 | C8 | C9 | H15 | 120.7° | 119.9° |
| C6 | C8 | C9 | H16 | 120.7° | 120.0° |
| C6 | C8 | C9 | C10 | 156.2° | 180.0° |
| C8 | C6 | C5 | H9 | 154.5° | 65.0° |
| C8 | C6 | C5 | H10 | 35.8° | 55.0° |
| C8 | C6 | C7 | H13 | 52.9° | 60.0° |
| C8 | C6 | C7 | H14 | 172.9° | 180.0° |
| C8 | C6 | C7 | H12 | 67.1° | 60.0° |
| C6 | C8 | H15 | H16 | 117.8° | 120.0° |
| C6 | C8 | C9 | H18 | 83.1° | 60.0° |
| C6 | C8 | C9 | H17 | 35.5° | 60.1° |
| C8 | C9 | C10 | H18 | 120.7° | 120.0° |
| C8 | C9 | C10 | H17 | 120.7° | 120.0° |
| C8 | C9 | C10 | C11 | 92.0° | 180.0° |
| C8 | C9 | C10 | H19 | 147.2° | 60.0° |
| C8 | C9 | C10 | H20 | 28.7° | 60.0° |
| C9 | C8 | C6 | H11 | 35.0° | 55.0° |
| C9 | C8 | H15 | H16 | 117.8° | 120.0° |
| C8 | C9 | H18 | H17 | 117.8° | 120.0° |
| C9 | C10 | C11 | H19 | 120.7° | 120.0° |
| C9 | C10 | C11 | H20 | 120.7° | 120.0° |
| C9 | C10 | C11 | C12 | 69.6° | 65.0° |
| C9 | C10 | C11 | C13 | 164.7° | 175.0° |
| C9 | C10 | H19 | H20 | 117.7° | 120.0° |
| C9 | C10 | C11 | H21 | 47.7° | 55.0° |
| C10 | C9 | C8 | H15 | 35.5° | 60.0° |
| C10 | C9 | C8 | H16 | 83.1° | 60.0° |
| C10 | C9 | H18 | H17 | 117.9° | 120.0° |
| C10 | C11 | C12 | C13 | 125.3° | 120.0° |
| C10 | C11 | C12 | H21 | 117.4° | 120.0° |
| C10 | C11 | C13 | H21 | 117.0° | 120.0° |
| C10 | C11 | C13 | C14 | 179.0° | 175.0° |
| C11 | C10 | H19 | H20 | 117.8° | 120.0° |
| C10 | C11 | C12 | H24 | 180.0° | 60.0° |
| C10 | C11 | C12 | H22 | 60.0° | 180.0° |
| C10 | C11 | C12 | H23 | 60.0° | 59.9° |
| C10 | C11 | C13 | H25 | 60.2° | 65.0° |
| C10 | C11 | C13 | H26 | 58.3° | 55.0° |
| C11 | C10 | C9 | H18 | 28.6° | 60.0° |
| C11 | C10 | C9 | H17 | 147.3° | 60.0° |
| C12 | C11 | C13 | H21 | 117.2° | 120.0° |
| C12 | C11 | C13 | C14 | 55.2° | 65.0° |
| C12 | C11 | C10 | H19 | 51.2° | 175.0° |
| C12 | C11 | C10 | H20 | 169.7° | 55.0° |
| C11 | C12 | H24 | H22 | 120.0° | 120.0° |
| C11 | C12 | H24 | H23 | 120.0° | 119.9° |
| C11 | C12 | H22 | H23 | 120.0° | 120.0° |
| C12 | C11 | C13 | H25 | 65.6° | 55.0° |
| C12 | C11 | C13 | H26 | 175.9° | 175.1° |
| C11 | C13 | C14 | H25 | 120.8° | 120.0° |
| C11 | C13 | C14 | H26 | 120.7° | 120.0° |
| C11 | C13 | C14 | C15 | 177.5° | 180.0° |
| C13 | C11 | C10 | H19 | 74.6° | 55.0° |
| C13 | C11 | C10 | H20 | 44.0° | 65.0° |
| C13 | C11 | C12 | H24 | 54.7° | 60.0° |
| C13 | C11 | C12 | H22 | 174.7° | 60.0° |
| C13 | C11 | C12 | H23 | 65.3° | 180.0° |
| C11 | C13 | H25 | H26 | 117.7° | 120.0° |
| C11 | C13 | C14 | H27 | 61.9° | 60.0° |
| C11 | C13 | C14 | H28 | 56.8° | 60.0° |
| C13 | C14 | C15 | H27 | 120.7° | 120.1° |
| C13 | C14 | C15 | H28 | 120.7° | 120.0° |
| C13 | C14 | C15 | C16 | 163.9° | 180.0° |
| C14 | C13 | C11 | H21 | 62.1° | 55.0° |
| C14 | C13 | H25 | H26 | 117.8° | 119.9° |
| C13 | C14 | H27 | H28 | 118.0° | 120.0° |
| C13 | C14 | C15 | H29 | 75.5° | 60.0° |
| C13 | C14 | C15 | H30 | 43.2° | 60.0° |
| C14 | C15 | C16 | H29 | 120.7° | 120.0° |
| C14 | C15 | C16 | H30 | 120.7° | 119.9° |
| C14 | C15 | C16 | C17 | 72.2° | 65.0° |
| C14 | C15 | C16 | C18 | 162.2° | 175.0° |
| C15 | C14 | C13 | H25 | 56.7° | 59.9° |
| C15 | C14 | C13 | H26 | 61.8° | 60.0° |
| C15 | C14 | H27 | H28 | 118.0° | 119.9° |
| C14 | C15 | H29 | H30 | 118.0° | 119.9° |
| C14 | C15 | C16 | H31 | 44.5° | 55.0° |
| C15 | C16 | C17 | C18 | 126.8° | 119.9° |
| C15 | C16 | C17 | H31 | 116.8° | 120.0° |
| C15 | C16 | C18 | H31 | 117.7° | 120.0° |
| C15 | C16 | C18 | C19 | 64.4° | 175.0° |
| C16 | C15 | C14 | H27 | 43.2° | 59.9° |
| C16 | C15 | C14 | H28 | 75.5° | 60.0° |
| C16 | C15 | H29 | H30 | 118.0° | 120.1° |
| C15 | C16 | C17 | H34 | 180.0° | 180.0° |
| C15 | C16 | C17 | H32 | 60.0° | 60.0° |
| C15 | C16 | C17 | H33 | 60.0° | 60.0° |
| C15 | C16 | C18 | H35 | 174.8° | 64.9° |
| C15 | C16 | C18 | H36 | 56.5° | 55.1° |
| C17 | C16 | C18 | H31 | 116.4° | 120.1° |
| C17 | C16 | C18 | C19 | 169.7° | 65.1° |
| C17 | C16 | C15 | H29 | 48.5° | 55.0° |
| C17 | C16 | C15 | H30 | 167.1° | 175.0° |
| C16 | C17 | H34 | H32 | 120.0° | 119.9° |
| C16 | C17 | H34 | H33 | 120.0° | 120.0° |
| C16 | C17 | H32 | H33 | 120.0° | 120.0° |
| C17 | C16 | C18 | H35 | 48.9° | 55.0° |
| C17 | C16 | C18 | H36 | 69.4° | 175.0° |
| C16 | C18 | C19 | H35 | 120.9° | 120.0° |
| C16 | C18 | C19 | H36 | 120.9° | 119.9° |
| C16 | C18 | C19 | O1 | 63.1° | 180.0° |
| C18 | C16 | C15 | H29 | 77.1° | 65.0° |
| C18 | C16 | C15 | H30 | 41.5° | 55.1° |
| C18 | C16 | C17 | H34 | 53.3° | 60.1° |
| C18 | C16 | C17 | H32 | 173.3° | 180.0° |
| C18 | C16 | C17 | H33 | 66.8° | 59.9° |
| C16 | C18 | H35 | H36 | 117.3° | 120.0° |
| C16 | C18 | C19 | H37 | 176.9° | 60.0° |
| C16 | C18 | C19 | H38 | 56.8° | 60.0° |
| C18 | C19 | O1 | H37 | 120.0° | 120.0° |
| C18 | C19 | O1 | H38 | 120.0° | 120.0° |
| C18 | C19 | O1 | C20 | 156.8° | 180.0° |
| C19 | C18 | C16 | H31 | 53.3° | 55.0° |
| C19 | C18 | H35 | H36 | 117.3° | 120.0° |
| C18 | C19 | H37 | H38 | 120.1° | 120.0° |
| C19 | O1 | C20 | C21 | 163.4° | 180.0° |
| O1 | C19 | C18 | H35 | 57.7° | 60.0° |
| O1 | C19 | C18 | H36 | 176.0° | 60.1° |
| O1 | C19 | H37 | H38 | 120.1° | 120.0° |
| C19 | O1 | C20 | H39 | 76.7° | 60.1° |
| C19 | O1 | C20 | H40 | 43.5° | 59.9° |
| O1 | C20 | C21 | H39 | 119.9° | 119.9° |
| O1 | C20 | C21 | H40 | 119.9° | 120.1° |
| O1 | C20 | C21 | C22 | 143.6° | 54.9° |
| O1 | C20 | C21 | O8 | 98.8° | 65.0° |
| C20 | O1 | C19 | H37 | 83.3° | 60.0° |
| C20 | O1 | C19 | H38 | 36.8° | 60.1° |
| O1 | C20 | H39 | H40 | 120.3° | 120.1° |
| O1 | C20 | C21 | H41 | 22.2° | 174.9° |
| C20 | C21 | C22 | O8 | 120.4° | 120.0° |
| C20 | C21 | C22 | H41 | 121.4° | 120.1° |
| C20 | C21 | C22 | O2 | 177.9° | 55.0° |
| C20 | C21 | O8 | H41 | 120.3° | 120.1° |
| C20 | C21 | O8 | C26 | 72.2° | 150.0° |
| C21 | C20 | H39 | H40 | 120.4° | 120.0° |
| C20 | C21 | C22 | H42 | 62.1° | 175.0° |
| C20 | C21 | C22 | H43 | 58.0° | 65.0° |
| C21 | C22 | O2 | H42 | 119.9° | 120.0° |
| C21 | C22 | O2 | H43 | 120.0° | 120.0° |
| C21 | C22 | O2 | P1 | 110.8° | 180.0° |
| C22 | C21 | O8 | H41 | 117.5° | 120.0° |
| C22 | C21 | O8 | C26 | 165.7° | 90.0° |
| C22 | C21 | C20 | H39 | 23.7° | 65.0° |
| C22 | C21 | C20 | H40 | 96.5° | 175.0° |
| C21 | C22 | H42 | H43 | 120.1° | 120.0° |
| C22 | O2 | P1 | O3 | 44.4° | 65.0° |
| C22 | O2 | P1 | O4 | 69.5° | 175.0° |
| C22 | O2 | P1 | O7 | 177.2° | 55.0° |
| O2 | C22 | C21 | O8 | 57.6° | 65.0° |
| O2 | C22 | C21 | H41 | 60.7° | 175.0° |
| O2 | C22 | H42 | H43 | 120.1° | 120.0° |
| O2 | P1 | O3 | O4 | 107.2° | 120.0° |
| O2 | P1 | O3 | O7 | 126.4° | 120.0° |
| O2 | P1 | O4 | O7 | 113.3° | 119.9° |
| O2 | P1 | O4 | C23 | 161.3° | 175.0° |
| P1 | O2 | C22 | H42 | 9.1° | 60.0° |
| P1 | O2 | C22 | H43 | 129.2° | 60.0° |
| O2 | P1 | O3 | H94 | 126.3° | 60.0° |
| O3 | P1 | O4 | O7 | 132.9° | 120.0° |
| O3 | P1 | O4 | C23 | 47.5° | 65.0° |
| P1 | O4 | C23 | C24 | 169.0° | 180.0° |
| P1 | O4 | C23 | H45 | 71.3° | 60.0° |
| P1 | O4 | C23 | H44 | 49.2° | 60.0° |
| O4 | P1 | O3 | H94 | 126.5° | 60.0° |
| O4 | C23 | C24 | H45 | 119.7° | 120.0° |
| O4 | C23 | C24 | H44 | 119.8° | 120.0° |
| O4 | C23 | C24 | N1 | 168.5° | 65.0° |
| O4 | C23 | C24 | C25 | 69.4° | 175.0° |
| C23 | O4 | P1 | O7 | 85.3° | 55.0° |
| O4 | C23 | H45 | H44 | 120.8° | 120.0° |
| O4 | C23 | C24 | H46 | 49.7° | 55.0° |
| C23 | C24 | N1 | C25 | 123.4° | 120.0° |
| C23 | C24 | N1 | H46 | 118.5° | 120.0° |
| C23 | C24 | C25 | H46 | 119.2° | 120.0° |
| C23 | C24 | C25 | O5 | 3.1° | 80.0° |
| C23 | C24 | C25 | O6 | 176.8° | 100.0° |
| C24 | C23 | H45 | H44 | 120.8° | 120.0° |
| C23 | C24 | N1 | H48 | 180.0° | 60.0° |
| C23 | C24 | N1 | H47 | 60.0° | 63.9° |
| N1 | C24 | C25 | H46 | 118.4° | 120.0° |
| N1 | C24 | C25 | O5 | 125.5° | 160.0° |
| N1 | C24 | C25 | O6 | 54.4° | 20.0° |
| N1 | C24 | C23 | H45 | 71.8° | 55.0° |
| N1 | C24 | C23 | H44 | 48.7° | 175.0° |
| C24 | N1 | H48 | H47 | 120.0° | 124.0° |
| C24 | C25 | O5 | O6 | 179.9° | 180.0° |
| C25 | C24 | C23 | H45 | 50.4° | 65.0° |
| C25 | C24 | C23 | H44 | 170.9° | 55.1° |
| C25 | C24 | N1 | H48 | 56.6° | 60.0° |
| C25 | C24 | N1 | H47 | 63.4° | 176.1° |
| C24 | C25 | O5 | H95 | 179.9° | 180.0° |
| O5 | C25 | C24 | H46 | 116.1° | 40.0° |
| O6 | C25 | C24 | H46 | 64.0° | 140.0° |
| O6 | C25 | O5 | H95 | 0.0° | 0.0° |
| O7 | P1 | O3 | H94 | 0.0° | 180.0° |
| C21 | O8 | C26 | C27 | 175.4° | 180.0° |
| O8 | C21 | C20 | H39 | 141.3° | 175.0° |
| O8 | C21 | C20 | H40 | 21.1° | 55.1° |
| O8 | C21 | C22 | H42 | 177.5° | 55.0° |
| O8 | C21 | C22 | H43 | 62.4° | 175.0° |
| C21 | O8 | C26 | H50 | 55.5° | 60.0° |
| C21 | O8 | C26 | H51 | 64.7° | 59.9° |
| O8 | C26 | C27 | H50 | 119.9° | 120.0° |
| O8 | C26 | C27 | H51 | 119.9° | 120.0° |
| O8 | C26 | C27 | C28 | 79.3° | 180.0° |
| C26 | O8 | C21 | H41 | 48.1° | 29.9° |
| O8 | C26 | H50 | H51 | 120.3° | 120.0° |
| O8 | C26 | C27 | H52 | 41.2° | 60.0° |
| O8 | C26 | C27 | H53 | 160.3° | 60.0° |
| C26 | C27 | C28 | H52 | 120.5° | 120.0° |
| C26 | C27 | C28 | H53 | 120.5° | 120.0° |
| C26 | C27 | C28 | O9 | 51.7° | 60.0° |
| C26 | C27 | C28 | C29 | 65.7° | 180.0° |
| C26 | C27 | C28 | C45 | 168.3° | 60.0° |
| C27 | C26 | H50 | H51 | 120.3° | 120.0° |
| C26 | C27 | H52 | H53 | 118.5° | 120.0° |
| C27 | C28 | O9 | C29 | 121.6° | 120.0° |
| C27 | C28 | O9 | C45 | 119.2° | 120.0° |
| C27 | C28 | C29 | C45 | 126.1° | 120.0° |
| C27 | C28 | C29 | C30 | 49.4° | 175.0° |
| C28 | C27 | C26 | H50 | 160.8° | 60.0° |
| C28 | C27 | C26 | H51 | 40.7° | 60.0° |
| C28 | C27 | H52 | H53 | 118.5° | 120.0° |
| C27 | C28 | C29 | H55 | 71.7° | 55.0° |
| C27 | C28 | C29 | H56 | 170.6° | 65.0° |
| C27 | C28 | C45 | H89 | 180.0° | 60.1° |
| C27 | C28 | C45 | H90 | 60.0° | 180.0° |
| C27 | C28 | C45 | H88 | 60.0° | 60.0° |
| C27 | C28 | O9 | H54 | 180.0° | 60.1° |
| O9 | C28 | C29 | C45 | 116.7° | 120.1° |
| O9 | C28 | C29 | C30 | 166.7° | 65.0° |
| O9 | C28 | C27 | H52 | 68.8° | 180.0° |
| O9 | C28 | C27 | H53 | 172.1° | 60.0° |
| O9 | C28 | C29 | H55 | 45.5° | 175.0° |
| O9 | C28 | C29 | H56 | 72.2° | 54.9° |
| O9 | C28 | C45 | H89 | 63.8° | 180.0° |
| O9 | C28 | C45 | H90 | 56.3° | 60.0° |
| O9 | C28 | C45 | H88 | 176.3° | 59.9° |
| C28 | C29 | C30 | H55 | 121.1° | 120.0° |
| C28 | C29 | C30 | H56 | 121.1° | 120.0° |
| C28 | C29 | C30 | C31 | 172.7° | 180.0° |
| C29 | C28 | C27 | H52 | 173.8° | 60.0° |
| C29 | C28 | C27 | H53 | 54.8° | 60.0° |
| C28 | C29 | H55 | H56 | 116.5° | 120.1° |
| C28 | C29 | C30 | H57 | 66.8° | 60.0° |
| C28 | C29 | C30 | H58 | 52.1° | 60.0° |
| C29 | C28 | C45 | H89 | 52.7° | 59.9° |
| C29 | C28 | C45 | H90 | 172.8° | 60.0° |
| C29 | C28 | C45 | H88 | 67.2° | 180.0° |
| C29 | C28 | O9 | H54 | 58.4° | 59.9° |
| C29 | C30 | C31 | H57 | 120.5° | 120.0° |
| C29 | C30 | C31 | H58 | 120.6° | 120.0° |
| C29 | C30 | C31 | C32 | 99.4° | NaN° |
| C30 | C29 | C28 | C45 | 76.6° | 55.0° |
| C30 | C29 | H55 | H56 | 116.4° | 119.9° |
| C29 | C30 | H57 | H58 | 118.3° | 120.0° |
| C29 | C30 | C31 | H59 | 21.3° | 60.0° |
| C29 | C30 | C31 | H60 | 139.8° | 60.0° |
| C30 | C31 | C32 | H59 | 120.7° | 120.0° |
| C30 | C31 | C32 | H60 | 120.8° | 120.0° |
| C30 | C31 | C32 | C33 | 66.6° | 65.0° |
| C30 | C31 | C32 | C34 | 60.0° | 175.0° |
| C31 | C30 | C29 | H55 | 51.6° | 60.0° |
| C31 | C30 | C29 | H56 | 66.2° | 60.0° |
| C31 | C30 | H57 | H58 | 118.3° | 120.0° |
| C30 | C31 | H59 | H60 | 117.7° | 120.0° |
| C30 | C31 | C32 | H61 | 177.5° | 55.0° |
| C31 | C32 | C33 | C34 | 128.1° | 120.1° |
| C31 | C32 | C33 | H61 | 115.9° | 120.0° |
| C31 | C32 | C34 | H61 | 117.4° | 120.0° |
| C31 | C32 | C34 | C35 | 46.0° | 175.0° |
| C32 | C31 | C30 | H57 | 140.1° | 60.0° |
| C32 | C31 | C30 | H58 | 21.1° | 60.0° |
| C32 | C31 | H59 | H60 | 117.7° | 119.9° |
| C31 | C32 | C33 | H63 | 180.0° | 59.9° |
| C31 | C32 | C33 | H64 | 60.0° | 180.0° |
| C31 | C32 | C33 | H62 | 60.0° | 60.0° |
| C31 | C32 | C34 | H65 | 74.7° | 55.0° |
| C31 | C32 | C34 | H66 | 166.7° | 65.0° |
| C33 | C32 | C34 | H61 | 115.9° | 120.0° |
| C33 | C32 | C34 | C35 | 172.7° | 65.0° |
| C33 | C32 | C31 | H59 | 54.1° | 175.0° |
| C33 | C32 | C31 | H60 | 172.6° | 55.0° |
| C32 | C33 | H63 | H64 | 120.0° | 120.1° |
| C32 | C33 | H63 | H62 | 120.0° | 119.9° |
| C32 | C33 | H64 | H62 | 120.0° | 119.9° |
| C33 | C32 | C34 | H65 | 52.0° | 175.0° |
| C33 | C32 | C34 | H66 | 66.6° | 55.0° |
| C32 | C34 | C35 | H65 | 120.7° | 120.0° |
| C32 | C34 | C35 | H66 | 120.7° | 119.9° |
| C32 | C34 | C35 | C36 | 159.9° | 180.0° |
| C34 | C32 | C31 | H59 | 179.2° | 54.9° |
| C34 | C32 | C31 | H60 | 60.7° | 65.0° |
| C34 | C32 | C33 | H63 | 51.9° | 180.0° |
| C34 | C32 | C33 | H64 | 68.1° | 59.9° |
| C34 | C32 | C33 | H62 | 171.9° | 60.0° |
| C32 | C34 | H65 | H66 | 117.8° | 120.0° |
| C32 | C34 | C35 | H67 | 39.2° | 59.9° |
| C32 | C34 | C35 | H68 | 79.4° | 60.0° |
| C34 | C35 | C36 | H67 | 120.7° | 120.0° |
| C34 | C35 | C36 | H68 | 120.7° | 120.0° |
| C34 | C35 | C36 | C37 | 170.8° | NaN° |
| C35 | C34 | C32 | H61 | 71.4° | 55.0° |
| C35 | C34 | H65 | H66 | 117.8° | 120.0° |
| C34 | C35 | H67 | H68 | 117.9° | 119.9° |
| C34 | C35 | C36 | H69 | 50.2° | 60.0° |
| C34 | C35 | C36 | H70 | 68.5° | 60.0° |
| C35 | C36 | C37 | H69 | 120.7° | 120.0° |
| C35 | C36 | C37 | H70 | 120.7° | 120.0° |
| C35 | C36 | C37 | C38 | 73.4° | 65.1° |
| C35 | C36 | C37 | C39 | 161.1° | 175.0° |
| C36 | C35 | C34 | H65 | 79.4° | 60.0° |
| C36 | C35 | C34 | H66 | 39.2° | 60.0° |
| C36 | C35 | H67 | H68 | 117.9° | 120.1° |
| C35 | C36 | H69 | H70 | 117.9° | 120.1° |
| C35 | C36 | C37 | H71 | 43.9° | 55.0° |
| C36 | C37 | C38 | C39 | 125.2° | 120.0° |
| C36 | C37 | C38 | H71 | 117.4° | 120.0° |
| C36 | C37 | C39 | H71 | 117.2° | 120.0° |
| C36 | C37 | C39 | C40 | 176.6° | 175.0° |
| C37 | C36 | C35 | H67 | 68.4° | 60.0° |
| C37 | C36 | C35 | H68 | 50.2° | 60.0° |
| C37 | C36 | H69 | H70 | 118.0° | 119.9° |
| C36 | C37 | C38 | H74 | 180.0° | 60.0° |
| C36 | C37 | C38 | H72 | 60.0° | 180.0° |
| C36 | C37 | C38 | H73 | 60.0° | 60.0° |
| C36 | C37 | C39 | H75 | 55.9° | 55.0° |
| C36 | C37 | C39 | H76 | 62.7° | 65.0° |
| C38 | C37 | C39 | H71 | 117.3° | 120.0° |
| C38 | C37 | C39 | C40 | 57.9° | 65.0° |
| C38 | C37 | C36 | H69 | 165.9° | 174.9° |
| C38 | C37 | C36 | H70 | 47.2° | 55.0° |
| C37 | C38 | H74 | H72 | 120.0° | 120.0° |
| C37 | C38 | H74 | H73 | 120.0° | 120.0° |
| C37 | C38 | H72 | H73 | 120.0° | 120.1° |
| C38 | C37 | C39 | H75 | 178.6° | 175.0° |
| C38 | C37 | C39 | H76 | 62.7° | 55.0° |
| C37 | C39 | C40 | H75 | 120.7° | 120.0° |
| C37 | C39 | C40 | H76 | 120.7° | 120.0° |
| C37 | C39 | C40 | C41 | 161.7° | 180.0° |
| C39 | C37 | C36 | H69 | 40.4° | 55.0° |
| C39 | C37 | C36 | H70 | 78.2° | 64.9° |
| C39 | C37 | C38 | H74 | 54.8° | 180.0° |
| C39 | C37 | C38 | H72 | 65.2° | 60.1° |
| C39 | C37 | C38 | H73 | 174.8° | 60.0° |
| C37 | C39 | H75 | H76 | 117.9° | 120.0° |
| C37 | C39 | C40 | H77 | 77.7° | 60.0° |
| C37 | C39 | C40 | H78 | 41.0° | 60.0° |
| C39 | C40 | C41 | H77 | 120.6° | 120.0° |
| C39 | C40 | C41 | H78 | 120.6° | 120.0° |
| C39 | C40 | C41 | C42 | 158.5° | 180.0° |
| C40 | C39 | C37 | H71 | 59.4° | 55.0° |
| C40 | C39 | H75 | H76 | 117.9° | 120.0° |
| C39 | C40 | H77 | H78 | 118.0° | 120.0° |
| C39 | C40 | C41 | H79 | 37.6° | 60.0° |
| C39 | C40 | C41 | H80 | 80.6° | 60.0° |
| C40 | C41 | C42 | H79 | 120.9° | 120.0° |
| C40 | C41 | C42 | H80 | 120.9° | 120.0° |
| C40 | C41 | C42 | C43 | 169.8° | 175.0° |
| C40 | C41 | C42 | C44 | 66.4° | 65.0° |
| C41 | C40 | C39 | H75 | 41.0° | 60.0° |
| C41 | C40 | C39 | H76 | 77.7° | 60.0° |
| C41 | C40 | H77 | H78 | 118.0° | 120.0° |
| C40 | C41 | H79 | H80 | 117.2° | 120.0° |
| C40 | C41 | C42 | H81 | 51.8° | 55.0° |
| C41 | C42 | C43 | C44 | 124.4° | 120.0° |
| C41 | C42 | C43 | H81 | 118.1° | 120.0° |
| C41 | C42 | C44 | H81 | 118.2° | 120.0° |
| C42 | C41 | C40 | H77 | 80.8° | 60.0° |
| C42 | C41 | C40 | H78 | 37.9° | 60.0° |
| C42 | C41 | H79 | H80 | 117.2° | 120.0° |
| C41 | C42 | C43 | H82 | 180.0° | 60.0° |
| C41 | C42 | C43 | H83 | 60.0° | 180.0° |
| C41 | C42 | C43 | H84 | 60.0° | 60.0° |
| C41 | C42 | C44 | H87 | 180.0° | 60.0° |
| C41 | C42 | C44 | H85 | 60.0° | 59.9° |
| C41 | C42 | C44 | H86 | 60.0° | 180.0° |
| C43 | C42 | C44 | H81 | 117.5° | 120.0° |
| C43 | C42 | C41 | H79 | 69.3° | 55.0° |
| C43 | C42 | C41 | H80 | 48.9° | 65.0° |
| C42 | C43 | H82 | H83 | 120.0° | 120.0° |
| C42 | C43 | H82 | H84 | 120.0° | 120.0° |
| C42 | C43 | H83 | H84 | 120.0° | 120.0° |
| C43 | C42 | C44 | H87 | 55.7° | 60.0° |
| C43 | C42 | C44 | H85 | 175.7° | 180.0° |
| C43 | C42 | C44 | H86 | 64.3° | 60.0° |
| C44 | C42 | C41 | H79 | 54.5° | 175.0° |
| C44 | C42 | C41 | H80 | 172.7° | 55.0° |
| C44 | C42 | C43 | H82 | 55.6° | 60.0° |
| C44 | C42 | C43 | H83 | 64.4° | 60.0° |
| C44 | C42 | C43 | H84 | 175.6° | 180.0° |
| C42 | C44 | H87 | H85 | 120.0° | 119.9° |
| C42 | C44 | H87 | H86 | 120.0° | 120.0° |
| C42 | C44 | H85 | H86 | 120.0° | 120.0° |
| C45 | C28 | C27 | H52 | 47.8° | 60.0° |
| C45 | C28 | C27 | H53 | 71.2° | 180.0° |
| C45 | C28 | C29 | H55 | 162.3° | 65.0° |
| C45 | C28 | C29 | H56 | 44.5° | 175.0° |
| C28 | C45 | H89 | H90 | 120.0° | 120.0° |
| C28 | C45 | H89 | H88 | 120.0° | 120.0° |
| C28 | C45 | H90 | H88 | 120.0° | 120.0° |
| C45 | C28 | O9 | H54 | 60.8° | 180.0° |
| C46 | C2 | C3 | H6 | 48.8° | 65.0° |
| C46 | C2 | C3 | H5 | 167.1° | 55.0° |
| C46 | C2 | C1 | H2 | 55.7° | 60.0° |
| C46 | C2 | C1 | H3 | 175.7° | 180.0° |
| C46 | C2 | C1 | H1 | 64.3° | 60.0° |
| C2 | C46 | H92 | H93 | 120.0° | 120.0° |
| C2 | C46 | H92 | H91 | 120.0° | 120.0° |
| C2 | C46 | H93 | H91 | 120.0° | 120.0° |
| H6 | C3 | C4 | H7 | 118.2° | 60.0° |
| H6 | C3 | C4 | H8 | 123.2° | 180.0° |
| H6 | C3 | C2 | H4 | 166.9° | 175.0° |
| H5 | C3 | C4 | H7 | 0.1° | 180.0° |
| H5 | C3 | C4 | H8 | 118.5° | 60.0° |
| H5 | C3 | C2 | H4 | 74.9° | 65.1° |
| H7 | C4 | C5 | H9 | 174.3° | NaN° |
| H7 | C4 | C5 | H10 | 67.1° | 59.9° |
| H8 | C4 | C5 | H9 | 55.7° | 59.9° |
| H8 | C4 | C5 | H10 | 174.3° | 180.0° |
| H9 | C5 | C6 | H11 | 87.8° | 175.0° |
| H10 | C5 | C6 | H11 | 153.5° | 65.0° |
| H4 | C2 | C1 | H2 | 61.8° | 60.0° |
| H4 | C2 | C1 | H3 | 58.2° | 60.0° |
| H4 | C2 | C1 | H1 | 178.1° | 180.0° |
| H4 | C2 | C46 | H92 | 62.5° | 60.0° |
| H4 | C2 | C46 | H93 | 57.6° | 60.0° |
| H4 | C2 | C46 | H91 | 177.6° | 180.0° |
| H2 | C1 | H3 | H1 | 120.0° | 120.1° |
| H19 | C10 | C11 | H21 | 168.5° | 65.0° |
| H19 | C10 | C9 | H18 | 92.1° | 180.0° |
| H19 | C10 | C9 | H17 | 26.5° | 60.0° |
| H20 | C10 | C11 | H21 | 73.0° | 175.0° |
| H20 | C10 | C9 | H18 | 149.4° | 60.1° |
| H20 | C10 | C9 | H17 | 92.0° | 179.9° |
| H21 | C11 | C12 | H24 | 62.6° | 180.0° |
| H21 | C11 | C12 | H22 | 57.4° | 60.0° |
| H21 | C11 | C12 | H23 | 177.4° | 60.0° |
| H21 | C11 | C13 | H25 | 177.2° | 175.0° |
| H21 | C11 | C13 | H26 | 58.7° | 64.9° |
| H24 | C12 | H22 | H23 | 120.0° | 120.0° |
| H25 | C13 | C14 | H27 | 177.3° | 180.0° |
| H25 | C13 | C14 | H28 | 63.9° | 60.0° |
| H26 | C13 | C14 | H27 | 58.8° | 60.0° |
| H26 | C13 | C14 | H28 | 177.5° | 180.0° |
| H27 | C14 | C15 | H29 | 163.9° | 180.0° |
| H27 | C14 | C15 | H30 | 77.5° | 60.0° |
| H28 | C14 | C15 | H29 | 45.2° | 60.1° |
| H28 | C14 | C15 | H30 | 163.9° | 179.9° |
| H29 | C15 | C16 | H31 | 165.2° | 175.0° |
| H30 | C15 | C16 | H31 | 76.2° | 64.9° |
| H31 | C16 | C17 | H34 | 63.2° | 60.0° |
| H31 | C16 | C17 | H32 | 56.8° | 60.0° |
| H31 | C16 | C17 | H33 | 176.8° | 180.0° |
| H31 | C16 | C18 | H35 | 67.5° | 175.0° |
| H31 | C16 | C18 | H36 | 174.2° | 64.9° |
| H34 | C17 | H32 | H33 | 120.0° | 120.1° |
| H35 | C18 | C19 | H37 | 62.3° | 180.0° |
| H35 | C18 | C19 | H38 | 177.7° | 60.0° |
| H36 | C18 | C19 | H37 | 56.0° | 60.0° |
| H36 | C18 | C19 | H38 | 64.0° | 179.9° |
| H39 | C20 | C21 | H41 | 97.7° | 55.0° |
| H40 | C20 | C21 | H41 | 142.0° | 65.0° |
| H41 | C21 | C22 | H42 | 59.3° | 64.9° |
| H41 | C21 | C22 | H43 | 179.4° | 55.0° |
| H45 | C23 | C24 | H46 | 169.4° | 175.0° |
| H44 | C23 | C24 | H46 | 70.1° | 65.0° |
| H46 | C24 | N1 | H48 | 61.4° | 180.0° |
| H46 | C24 | N1 | H47 | 178.5° | 56.0° |
| H50 | C26 | C27 | H52 | 78.7° | 60.0° |
| H50 | C26 | C27 | H53 | 40.4° | 180.0° |
| H51 | C26 | C27 | H52 | 161.1° | 180.0° |
| H51 | C26 | C27 | H53 | 79.8° | 60.0° |
| H55 | C29 | C30 | H57 | 172.1° | 180.0° |
| H55 | C29 | C30 | H58 | 69.0° | 60.0° |
| H56 | C29 | C30 | H57 | 54.4° | 60.0° |
| H56 | C29 | C30 | H58 | 173.3° | 180.0° |
| H57 | C30 | C31 | H59 | 99.2° | 180.0° |
| H57 | C30 | C31 | H60 | 19.3° | 60.0° |
| H58 | C30 | C31 | H59 | 141.9° | 60.0° |
| H58 | C30 | C31 | H60 | 99.6° | 180.0° |
| H59 | C31 | C32 | H61 | 61.8° | 65.0° |
| H60 | C31 | C32 | H61 | 56.7° | 175.0° |
| H61 | C32 | C33 | H63 | 64.1° | 60.1° |
| H61 | C32 | C33 | H64 | 175.9° | 60.0° |
| H61 | C32 | C33 | H62 | 55.9° | 180.0° |
| H61 | C32 | C34 | H65 | 167.9° | 65.0° |
| H61 | C32 | C34 | H66 | 49.3° | 175.0° |
| H63 | C33 | H64 | H62 | 120.0° | 120.0° |
| H65 | C34 | C35 | H67 | 159.9° | 179.9° |
| H65 | C34 | C35 | H68 | 41.3° | 60.0° |
| H66 | C34 | C35 | H67 | 81.5° | 60.0° |
| H66 | C34 | C35 | H68 | 159.9° | 179.9° |
| H67 | C35 | C36 | H69 | 170.9° | 180.0° |
| H67 | C35 | C36 | H70 | 52.2° | 60.0° |
| H68 | C35 | C36 | H69 | 70.5° | 60.0° |
| H68 | C35 | C36 | H70 | 170.8° | 180.0° |
| H69 | C36 | C37 | H71 | 76.8° | 65.0° |
| H70 | C36 | C37 | H71 | 164.6° | 175.0° |
| H71 | C37 | C38 | H74 | 62.6° | 60.0° |
| H71 | C37 | C38 | H72 | 177.4° | 60.0° |
| H71 | C37 | C38 | H73 | 57.4° | NaN° |
| H71 | C37 | C39 | H75 | 61.3° | 65.0° |
| H71 | C37 | C39 | H76 | 179.9° | 175.0° |
| H74 | C38 | H72 | H73 | 120.0° | 120.0° |
| H75 | C39 | C40 | H77 | 161.6° | NaN° |
| H75 | C39 | C40 | H78 | 79.7° | 60.0° |
| H76 | C39 | C40 | H77 | 42.9° | 60.0° |
| H76 | C39 | C40 | H78 | 161.7° | 180.0° |
| H77 | C40 | C41 | H79 | 158.3° | 180.0° |
| H77 | C40 | C41 | H80 | 40.1° | 60.0° |
| H78 | C40 | C41 | H79 | 83.0° | 60.0° |
| H78 | C40 | C41 | H80 | 158.8° | 180.0° |
| H79 | C41 | C42 | H81 | 172.6° | 65.1° |
| H80 | C41 | C42 | H81 | 69.1° | 175.0° |
| H81 | C42 | C43 | H82 | 61.9° | NaN° |
| H81 | C42 | C43 | H83 | 178.1° | 60.0° |
| H81 | C42 | C43 | H84 | 58.1° | 60.0° |
| H81 | C42 | C44 | H87 | 61.8° | 180.0° |
| H81 | C42 | C44 | H85 | 58.2° | 60.0° |
| H81 | C42 | C44 | H86 | 178.2° | 60.0° |
| H82 | C43 | H83 | H84 | 120.0° | 120.0° |
| H87 | C44 | H85 | H86 | 120.0° | 120.1° |
| H89 | C45 | H90 | H88 | 120.0° | 120.0° |
| H92 | C46 | H93 | H91 | 120.0° | 120.0° |
| H11 | C6 | C7 | H13 | 63.5° | 60.0° |
| H11 | C6 | C7 | H14 | 56.5° | 59.9° |
| H11 | C6 | C7 | H12 | 176.5° | 180.0° |
| H11 | C6 | C8 | H15 | 85.7° | 175.0° |
| H11 | C6 | C8 | H16 | 155.7° | 65.0° |
| H13 | C7 | H14 | H12 | 120.0° | 120.0° |
| H15 | C8 | C9 | H18 | 156.2° | 60.0° |
| H15 | C8 | C9 | H17 | 85.2° | 180.0° |
| H16 | C8 | C9 | H18 | 37.6° | 180.0° |
| H16 | C8 | C9 | H17 | 156.2° | 59.9° |
