A1JAN
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 | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C21 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | O2 | sing | 1.43Å | 1.44Å | |
| O2 | P1 | sing | 1.61Å | 1.61Å | |
| P1 | O3 | sing | 1.61Å | 1.48Å | |
| P1 | O4 | sing | 1.61Å | 1.61Å | |
| O4 | C24 | sing | 1.43Å | 1.43Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C25 | N1 | sing | 1.47Å | 1.47Å | |
| P1 | O5 | doub | 1.48Å | 1.49Å | |
| C22 | O6 | sing | 1.43Å | 1.44Å | |
| O6 | C26 | sing | 1.43Å | 1.43Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | C35 | sing | 1.53Å | 1.52Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C38 | C40 | sing | 1.53Å | 1.52Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C42 | C43 | sing | 1.53Å | 1.51Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C43 | C45 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C17 | H34 | sing | 1.09Å | 1.10Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å | |
| C19 | H39 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H40 | sing | 1.09Å | 1.10Å | |
| C20 | H41 | sing | 1.09Å | 1.10Å | |
| C21 | H42 | sing | 1.09Å | 1.10Å | |
| C21 | H43 | sing | 1.09Å | 1.10Å | |
| C22 | H44 | sing | 1.09Å | 1.10Å | |
| C23 | H45 | sing | 1.09Å | 1.10Å | |
| C23 | H46 | sing | 1.09Å | 1.10Å | |
| C24 | H47 | sing | 1.09Å | 1.10Å | |
| C24 | H48 | sing | 1.09Å | 1.10Å | |
| C25 | H50 | sing | 1.09Å | 1.10Å | |
| C25 | H49 | sing | 1.09Å | 1.10Å | |
| C26 | H53 | sing | 1.09Å | 1.10Å | |
| C26 | H54 | sing | 1.09Å | 1.10Å | |
| C27 | H56 | sing | 1.09Å | 1.10Å | |
| C27 | H55 | sing | 1.09Å | 1.10Å | |
| C28 | H57 | sing | 1.09Å | 1.10Å | |
| C29 | H60 | sing | 1.09Å | 1.10Å | |
| C29 | H59 | sing | 1.09Å | 1.10Å | |
| C29 | H58 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C30 | H61 | sing | 1.09Å | 1.10Å | |
| C30 | H62 | sing | 1.09Å | 1.10Å | |
| C31 | H63 | sing | 1.09Å | 1.10Å | |
| C31 | H64 | sing | 1.09Å | 1.10Å | |
| C32 | H65 | sing | 1.09Å | 1.10Å | |
| C32 | H66 | sing | 1.09Å | 1.10Å | |
| C33 | H67 | sing | 1.09Å | 1.10Å | |
| C34 | H69 | sing | 1.09Å | 1.10Å | |
| C34 | H70 | sing | 1.09Å | 1.10Å | |
| C34 | H68 | sing | 1.09Å | 1.10Å | |
| C35 | H71 | sing | 1.09Å | 1.10Å | |
| C35 | H72 | sing | 1.09Å | 1.10Å | |
| C36 | H73 | sing | 1.09Å | 1.10Å | |
| C36 | H74 | sing | 1.09Å | 1.10Å | |
| C37 | H75 | sing | 1.09Å | 1.10Å | |
| C37 | H76 | sing | 1.09Å | 1.10Å | |
| C38 | H77 | sing | 1.09Å | 1.10Å | |
| C39 | H79 | sing | 1.09Å | 1.10Å | |
| C39 | H80 | sing | 1.09Å | 1.10Å | |
| C39 | H78 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C40 | H81 | sing | 1.09Å | 1.10Å | |
| C40 | H82 | sing | 1.09Å | 1.10Å | |
| C41 | H83 | sing | 1.09Å | 1.10Å | |
| C41 | H84 | sing | 1.09Å | 1.10Å | |
| C42 | H86 | sing | 1.09Å | 1.10Å | |
| C42 | H85 | sing | 1.09Å | 1.10Å | |
| C43 | H87 | sing | 1.09Å | 1.10Å | |
| C44 | H90 | sing | 1.09Å | 1.10Å | |
| C44 | H88 | sing | 1.09Å | 1.10Å | |
| C44 | H89 | sing | 1.09Å | 1.10Å | |
| C45 | H91 | sing | 1.09Å | 1.10Å | |
| C45 | H92 | sing | 1.09Å | 1.10Å | |
| C45 | H93 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| N1 | H52 | sing | 1.01Å | 1.00Å | |
| N1 | H51 | sing | 1.01Å | 1.00Å | |
| O3 | H94 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 110.7° | 109.5° |
| C1 | C2 | C4 | 110.8° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C1 | C2 | H4 | 107.7° | 109.5° |
| C3 | C2 | C4 | 112.0° | 109.5° |
| C3 | C2 | H4 | 107.7° | 109.4° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C2 | C3 | H7 | 109.4° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C4 | C5 | 115.4° | 109.5° |
| C4 | C2 | H4 | 107.8° | 109.5° |
| C2 | C4 | H8 | 108.0° | 109.5° |
| C2 | C4 | H9 | 108.0° | 109.5° |
| C4 | C5 | C6 | 114.5° | 109.5° |
| C5 | C4 | H8 | 108.0° | 109.4° |
| C5 | C4 | H9 | 108.0° | 109.4° |
| C4 | C5 | H10 | 108.2° | 109.5° |
| C4 | C5 | H11 | 108.2° | 109.5° |
| C5 | C6 | C7 | 113.6° | 109.5° |
| C6 | C5 | H10 | 108.2° | 109.5° |
| C6 | C5 | H11 | 108.2° | 109.4° |
| C5 | C6 | H12 | 108.4° | 109.5° |
| C5 | C6 | H13 | 108.4° | 109.5° |
| C6 | C7 | C8 | 111.4° | 109.4° |
| C6 | C7 | C9 | 111.0° | 109.5° |
| C7 | C6 | H12 | 108.4° | 109.4° |
| C7 | C6 | H13 | 108.4° | 109.5° |
| C6 | C7 | H14 | 107.5° | 109.4° |
| C8 | C7 | C9 | 111.8° | 109.5° |
| C8 | C7 | H14 | 107.4° | 109.5° |
| C7 | C8 | H16 | 109.5° | 109.5° |
| C7 | C8 | H17 | 109.4° | 109.5° |
| C7 | C8 | H15 | 109.5° | 109.5° |
| C7 | C9 | C10 | 114.2° | 109.5° |
| C9 | C7 | H14 | 107.5° | 109.5° |
| C7 | C9 | H18 | 108.3° | 109.5° |
| C7 | C9 | H19 | 108.3° | 109.4° |
| C9 | C10 | C11 | 114.2° | 109.5° |
| C9 | C10 | H20 | 108.3° | 109.5° |
| C9 | C10 | H21 | 108.3° | 109.4° |
| C10 | C9 | H18 | 108.3° | 109.5° |
| C10 | C9 | H19 | 108.3° | 109.5° |
| C10 | C11 | C12 | 114.1° | 109.5° |
| C11 | C10 | H20 | 108.3° | 109.5° |
| C11 | C10 | H21 | 108.3° | 109.5° |
| C10 | C11 | H22 | 108.3° | 109.5° |
| C10 | C11 | H23 | 108.3° | 109.5° |
| C11 | C12 | C13 | 111.3° | 109.5° |
| C11 | C12 | C14 | 112.3° | 109.5° |
| C12 | C11 | H22 | 108.3° | 109.5° |
| C12 | C11 | H23 | 108.3° | 109.5° |
| C11 | C12 | H24 | 107.3° | 109.5° |
| C13 | C12 | C14 | 111.2° | 109.5° |
| C13 | C12 | H24 | 107.2° | 109.5° |
| C12 | C13 | H26 | 109.5° | 109.5° |
| C12 | C13 | H27 | 109.5° | 109.5° |
| C12 | C13 | H25 | 109.5° | 109.5° |
| C12 | C14 | C15 | 114.1° | 109.5° |
| C14 | C12 | H24 | 107.3° | 109.5° |
| C12 | C14 | H28 | 108.3° | 109.5° |
| C12 | C14 | H29 | 108.3° | 109.5° |
| C14 | C15 | C16 | 113.4° | 109.5° |
| C15 | C14 | H28 | 108.3° | 109.5° |
| C15 | C14 | H29 | 108.3° | 109.4° |
| C14 | C15 | H30 | 108.5° | 109.5° |
| C14 | C15 | H31 | 108.5° | 109.5° |
| C15 | C16 | C17 | 114.2° | 109.5° |
| C16 | C15 | H30 | 108.5° | 109.5° |
| C16 | C15 | H31 | 108.5° | 109.5° |
| C15 | C16 | H32 | 108.3° | 109.5° |
| C15 | C16 | H33 | 108.3° | 109.5° |
| C16 | C17 | C18 | 111.6° | 109.5° |
| C16 | C17 | C19 | 109.7° | 109.5° |
| C17 | C16 | H32 | 108.3° | 109.4° |
| C17 | C16 | H33 | 108.3° | 109.5° |
| C16 | C17 | H34 | 107.5° | 109.4° |
| C18 | C17 | C19 | 113.1° | 109.5° |
| C18 | C17 | H34 | 107.4° | 109.5° |
| C17 | C18 | H35 | 109.5° | 109.5° |
| C17 | C18 | H37 | 109.4° | 109.4° |
| C17 | C18 | H36 | 109.4° | 109.4° |
| C17 | C19 | C20 | 118.3° | 109.5° |
| C19 | C17 | H34 | 107.4° | 109.5° |
| C17 | C19 | H38 | 107.2° | 109.4° |
| C17 | C19 | H39 | 107.2° | 109.4° |
| C19 | C20 | O1 | 107.3° | 109.5° |
| C20 | C19 | H38 | 107.2° | 109.5° |
| C20 | C19 | H39 | 107.2° | 109.5° |
| C19 | C20 | H40 | 110.0° | 109.5° |
| C19 | C20 | H41 | 110.0° | 109.5° |
| C20 | O1 | C21 | 115.3° | 114.0° |
| O1 | C20 | H40 | 110.0° | 109.5° |
| O1 | C20 | H41 | 110.1° | 109.5° |
| O1 | C21 | C22 | 107.1° | 109.5° |
| O1 | C21 | H42 | 110.1° | 109.5° |
| O1 | C21 | H43 | 110.0° | 109.5° |
| C21 | C22 | C23 | 112.2° | 109.5° |
| C21 | C22 | O6 | 108.4° | 109.5° |
| C22 | C21 | H42 | 110.1° | 109.4° |
| C22 | C21 | H43 | 110.1° | 109.5° |
| C21 | C22 | H44 | 108.2° | 109.5° |
| C22 | C23 | O2 | 110.4° | 109.4° |
| C23 | C22 | O6 | 110.8° | 109.5° |
| C23 | C22 | H44 | 108.1° | 109.4° |
| C22 | C23 | H45 | 109.3° | 109.5° |
| C22 | C23 | H46 | 109.3° | 109.4° |
| C23 | O2 | P1 | 118.4° | 123.0° |
| O2 | C23 | H45 | 109.2° | 109.5° |
| O2 | C23 | H46 | 109.2° | 109.5° |
| O2 | P1 | O3 | 108.3° | 109.5° |
| O2 | P1 | O4 | 102.5° | 109.5° |
| O2 | P1 | O5 | 108.1° | 109.5° |
| O3 | P1 | O4 | 108.6° | 109.5° |
| O3 | P1 | O5 | 119.8° | 109.5° |
| P1 | O3 | H94 | 109.5° | 113.9° |
| P1 | O4 | C24 | 118.5° | 123.0° |
| O4 | P1 | O5 | 108.1° | 109.5° |
| O4 | C24 | C25 | 109.4° | 109.4° |
| O4 | C24 | H47 | 109.5° | 109.5° |
| O4 | C24 | H48 | 109.5° | 109.5° |
| C24 | C25 | N1 | 112.0° | 109.4° |
| C25 | C24 | H47 | 109.5° | 109.5° |
| C25 | C24 | H48 | 109.5° | 109.5° |
| C24 | C25 | H50 | 108.8° | 109.4° |
| C24 | C25 | H49 | 108.9° | 109.5° |
| N1 | C25 | H50 | 108.9° | 109.5° |
| N1 | C25 | H49 | 108.8° | 109.5° |
| C25 | N1 | H52 | 109.5° | 111.1° |
| C25 | N1 | H51 | 109.5° | 111.0° |
| C22 | O6 | C26 | 113.7° | 114.0° |
| O6 | C22 | H44 | 109.1° | 109.4° |
| O6 | C26 | C27 | 111.2° | 109.4° |
| O6 | C26 | H53 | 109.0° | 109.5° |
| O6 | C26 | H54 | 109.0° | 109.5° |
| C26 | C27 | C28 | 115.1° | 109.4° |
| C27 | C26 | H53 | 109.0° | 109.5° |
| C27 | C26 | H54 | 109.0° | 109.4° |
| C26 | C27 | H56 | 108.0° | 109.5° |
| C26 | C27 | H55 | 108.0° | 109.5° |
| C27 | C28 | C29 | 110.2° | 109.5° |
| C27 | C28 | C30 | 113.2° | 109.4° |
| C28 | C27 | H56 | 108.0° | 109.5° |
| C28 | C27 | H55 | 108.0° | 109.5° |
| C27 | C28 | H57 | 107.1° | 109.5° |
| C29 | C28 | C30 | 111.9° | 109.4° |
| C29 | C28 | H57 | 107.0° | 109.5° |
| C28 | C29 | H60 | 109.5° | 109.5° |
| C28 | C29 | H59 | 109.5° | 109.5° |
| C28 | C29 | H58 | 109.5° | 109.5° |
| C28 | C30 | C31 | 113.7° | 109.4° |
| C30 | C28 | H57 | 107.0° | 109.5° |
| C28 | C30 | H61 | 108.4° | 109.5° |
| C28 | C30 | H62 | 108.4° | 109.5° |
| C30 | C31 | C32 | 116.2° | 109.4° |
| C31 | C30 | H61 | 108.4° | 109.5° |
| C31 | C30 | H62 | 108.4° | 109.5° |
| C30 | C31 | H63 | 107.8° | 109.5° |
| C30 | C31 | H64 | 107.7° | 109.5° |
| C31 | C32 | C33 | 114.1° | 109.4° |
| C32 | C31 | H63 | 107.8° | 109.4° |
| C32 | C31 | H64 | 107.8° | 109.5° |
| C31 | C32 | H65 | 108.3° | 109.5° |
| C31 | C32 | H66 | 108.3° | 109.5° |
| C32 | C33 | C34 | 111.2° | 109.5° |
| C32 | C33 | C35 | 113.3° | 109.4° |
| C33 | C32 | H65 | 108.3° | 109.5° |
| C33 | C32 | H66 | 108.3° | 109.5° |
| C32 | C33 | H67 | 107.1° | 109.5° |
| C34 | C33 | C35 | 110.6° | 109.5° |
| C34 | C33 | H67 | 107.1° | 109.5° |
| C33 | C34 | H69 | 109.5° | 109.5° |
| C33 | C34 | H70 | 109.5° | 109.4° |
| C33 | C34 | H68 | 109.5° | 109.5° |
| C33 | C35 | C36 | 114.4° | 109.4° |
| C35 | C33 | H67 | 107.2° | 109.5° |
| C33 | C35 | H71 | 108.2° | 109.5° |
| C33 | C35 | H72 | 108.2° | 109.5° |
| C35 | C36 | C37 | 113.8° | 109.4° |
| C36 | C35 | H71 | 108.2° | 109.4° |
| C36 | C35 | H72 | 108.3° | 109.5° |
| C35 | C36 | H73 | 108.4° | 109.5° |
| C35 | C36 | H74 | 108.4° | 109.5° |
| C36 | C37 | C38 | 114.1° | 109.5° |
| C37 | C36 | H73 | 108.4° | 109.4° |
| C37 | C36 | H74 | 108.4° | 109.4° |
| C36 | C37 | H75 | 108.3° | 109.5° |
| C36 | C37 | H76 | 108.3° | 109.5° |
| C37 | C38 | C39 | 111.6° | 109.5° |
| C37 | C38 | C40 | 110.8° | 109.5° |
| C38 | C37 | H75 | 108.3° | 109.4° |
| C38 | C37 | H76 | 108.3° | 109.4° |
| C37 | C38 | H77 | 107.4° | 109.5° |
| C39 | C38 | C40 | 112.1° | 109.4° |
| C39 | C38 | H77 | 107.3° | 109.4° |
| C38 | C39 | H79 | 109.5° | 109.4° |
| C38 | C39 | H80 | 109.5° | 109.5° |
| C38 | C39 | H78 | 109.5° | 109.5° |
| C38 | C40 | C41 | 113.6° | 109.5° |
| C40 | C38 | H77 | 107.3° | 109.5° |
| C38 | C40 | H81 | 108.4° | 109.5° |
| C38 | C40 | H82 | 108.4° | 109.5° |
| C40 | C41 | C42 | 114.0° | 109.5° |
| C41 | C40 | H81 | 108.4° | 109.5° |
| C41 | C40 | H82 | 108.4° | 109.5° |
| C40 | C41 | H83 | 108.3° | 109.5° |
| C40 | C41 | H84 | 108.3° | 109.5° |
| C41 | C42 | C43 | 115.6° | 109.5° |
| C42 | C41 | H83 | 108.3° | 109.5° |
| C42 | C41 | H84 | 108.3° | 109.5° |
| C41 | C42 | H86 | 107.9° | 109.5° |
| C41 | C42 | H85 | 107.9° | 109.5° |
| C42 | C43 | C44 | 112.6° | 109.5° |
| C42 | C43 | C45 | 110.2° | 109.5° |
| C43 | C42 | H86 | 107.9° | 109.5° |
| C43 | C42 | H85 | 107.9° | 109.5° |
| C42 | C43 | H87 | 107.9° | 109.5° |
| C44 | C43 | C45 | 110.5° | 109.4° |
| C44 | C43 | H87 | 107.8° | 109.4° |
| C43 | C44 | H90 | 109.5° | 109.5° |
| C43 | C44 | H88 | 109.5° | 109.4° |
| C43 | C44 | H89 | 109.5° | 109.4° |
| C45 | C43 | H87 | 107.8° | 109.5° |
| C43 | C45 | H91 | 109.5° | 109.4° |
| C43 | C45 | H92 | 109.4° | 109.5° |
| C43 | C45 | H93 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.4° | 109.5° |
| H20 | C10 | H21 | 109.5° | 109.4° |
| H22 | C11 | H23 | 109.4° | 109.5° |
| H26 | C13 | H27 | 109.5° | 109.5° |
| H26 | C13 | H25 | 109.5° | 109.5° |
| H27 | C13 | H25 | 109.5° | 109.4° |
| H28 | C14 | H29 | 109.5° | 109.5° |
| H30 | C15 | H31 | 109.5° | 109.4° |
| H32 | C16 | H33 | 109.5° | 109.5° |
| H35 | C18 | H37 | 109.5° | 109.5° |
| H35 | C18 | H36 | 109.5° | 109.5° |
| H37 | C18 | H36 | 109.5° | 109.5° |
| H38 | C19 | H39 | 109.5° | 109.5° |
| H40 | C20 | H41 | 109.4° | 109.4° |
| H42 | C21 | H43 | 109.5° | 109.4° |
| H45 | C23 | H46 | 109.5° | 109.5° |
| H47 | C24 | H48 | 109.5° | 109.5° |
| H50 | C25 | H49 | 109.4° | 109.5° |
| H53 | C26 | H54 | 109.5° | 109.5° |
| H56 | C27 | H55 | 109.5° | 109.5° |
| H60 | C29 | H59 | 109.5° | 109.5° |
| H60 | C29 | H58 | 109.5° | 109.5° |
| H59 | C29 | H58 | 109.4° | 109.4° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H6 | C3 | H5 | 109.4° | 109.4° |
| H7 | C3 | H5 | 109.5° | 109.4° |
| H61 | C30 | H62 | 109.5° | 109.5° |
| H63 | C31 | H64 | 109.5° | 109.5° |
| H65 | C32 | H66 | 109.5° | 109.4° |
| H69 | C34 | H70 | 109.5° | 109.5° |
| H69 | C34 | H68 | 109.4° | 109.5° |
| H70 | C34 | H68 | 109.5° | 109.5° |
| H71 | C35 | H72 | 109.4° | 109.5° |
| H73 | C36 | H74 | 109.5° | 109.5° |
| H75 | C37 | H76 | 109.5° | 109.5° |
| H79 | C39 | H80 | 109.4° | 109.5° |
| H79 | C39 | H78 | 109.5° | 109.5° |
| H80 | C39 | H78 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.4° |
| H81 | C40 | H82 | 109.5° | 109.4° |
| H83 | C41 | H84 | 109.5° | 109.4° |
| H86 | C42 | H85 | 109.5° | 109.4° |
| H90 | C44 | H88 | 109.5° | 109.5° |
| H90 | C44 | H89 | 109.4° | 109.5° |
| H88 | C44 | H89 | 109.5° | 109.5° |
| H91 | C45 | H92 | 109.4° | 109.5° |
| H91 | C45 | H93 | 109.5° | 109.4° |
| H92 | C45 | H93 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.4° |
| H12 | C6 | H13 | 109.5° | 109.4° |
| H16 | C8 | H17 | 109.5° | 109.4° |
| H16 | C8 | H15 | 109.5° | 109.5° |
| H17 | C8 | H15 | 109.5° | 109.4° |
| H18 | C9 | H19 | 109.5° | 109.5° |
| H52 | N1 | H51 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 124.1° | 120.0° |
| C1 | C2 | C3 | H4 | 117.5° | 120.0° |
| C1 | C2 | C4 | H4 | 117.6° | 120.1° |
| C1 | C2 | C4 | C5 | 118.4° | 175.0° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H6 | 180.0° | 180.0° |
| C1 | C2 | C3 | H7 | 60.0° | 60.0° |
| C1 | C2 | C3 | H5 | 60.0° | 60.0° |
| C1 | C2 | C4 | H8 | 2.4° | 65.0° |
| C1 | C2 | C4 | H9 | 120.7° | 55.0° |
| C3 | C2 | C4 | H4 | 118.3° | 119.9° |
| C3 | C2 | C4 | C5 | 117.5° | 65.0° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C2 | C3 | H6 | H7 | 120.0° | 120.1° |
| C2 | C3 | H6 | H5 | 120.0° | 120.0° |
| C2 | C3 | H7 | H5 | 120.0° | 120.0° |
| C3 | C2 | C4 | H8 | 121.6° | 55.0° |
| C3 | C2 | C4 | H9 | 3.4° | 175.0° |
| C2 | C4 | C5 | H8 | 120.9° | 120.1° |
| C2 | C4 | C5 | H9 | 120.9° | 120.0° |
| C2 | C4 | C5 | C6 | 148.2° | 180.0° |
| C4 | C2 | C1 | H1 | 55.2° | 180.0° |
| C4 | C2 | C1 | H3 | 175.2° | 60.0° |
| C4 | C2 | C1 | H2 | 64.8° | 60.0° |
| C4 | C2 | C3 | H6 | 55.9° | 59.9° |
| C4 | C2 | C3 | H7 | 64.1° | 180.0° |
| C4 | C2 | C3 | H5 | 175.9° | 60.0° |
| C2 | C4 | H8 | H9 | 117.3° | 120.0° |
| C2 | C4 | C5 | H10 | 91.0° | 60.0° |
| C2 | C4 | C5 | H11 | 27.5° | 60.0° |
| C4 | C5 | C6 | H10 | 120.7° | 120.1° |
| C4 | C5 | C6 | H11 | 120.7° | 120.0° |
| C4 | C5 | C6 | C7 | 165.1° | 180.0° |
| C5 | C4 | C2 | H4 | 0.8° | 54.9° |
| C5 | C4 | H8 | H9 | 117.3° | 119.9° |
| C4 | C5 | H10 | H11 | 117.7° | 120.0° |
| C4 | C5 | C6 | H12 | 44.5° | 60.0° |
| C4 | C5 | C6 | H13 | 74.3° | 60.0° |
| C5 | C6 | C7 | H12 | 120.6° | 120.1° |
| C5 | C6 | C7 | H13 | 120.6° | 120.0° |
| C5 | C6 | C7 | C8 | 155.4° | 65.0° |
| C5 | C6 | C7 | C9 | 79.3° | 175.0° |
| C6 | C5 | C4 | H8 | 27.4° | 59.9° |
| C6 | C5 | C4 | H9 | 90.9° | 60.0° |
| C6 | C5 | H10 | H11 | 117.7° | 119.9° |
| C5 | C6 | H12 | H13 | 118.1° | 120.0° |
| C5 | C6 | C7 | H14 | 38.0° | 55.0° |
| C6 | C7 | C8 | C9 | 124.8° | 120.0° |
| C6 | C7 | C8 | H14 | 117.5° | 120.0° |
| C6 | C7 | C9 | H14 | 117.3° | 120.0° |
| C6 | C7 | C9 | C10 | 178.6° | 175.0° |
| C7 | C6 | C5 | H10 | 74.2° | 59.9° |
| C7 | C6 | C5 | H11 | 44.4° | 60.0° |
| C7 | C6 | H12 | H13 | 118.1° | 119.9° |
| C6 | C7 | C8 | H16 | 180.0° | 180.0° |
| C6 | C7 | C8 | H17 | 60.0° | 60.0° |
| C6 | C7 | C8 | H15 | 60.0° | 60.0° |
| C6 | C7 | C9 | H18 | 60.7° | 55.0° |
| C6 | C7 | C9 | H19 | 57.9° | 65.0° |
| C8 | C7 | C9 | H14 | 117.6° | 120.1° |
| C8 | C7 | C9 | C10 | 56.3° | 65.0° |
| C8 | C7 | C6 | H12 | 34.8° | 55.0° |
| C8 | C7 | C6 | H13 | 83.9° | 175.0° |
| C7 | C8 | H16 | H17 | 120.0° | 120.0° |
| C7 | C8 | H16 | H15 | 120.0° | 120.1° |
| C7 | C8 | H17 | H15 | 120.0° | 120.1° |
| C8 | C7 | C9 | H18 | 64.4° | 174.9° |
| C8 | C7 | C9 | H19 | 177.0° | 55.0° |
| C7 | C9 | C10 | H18 | 120.7° | 120.1° |
| C7 | C9 | C10 | H19 | 120.7° | 120.0° |
| C7 | C9 | C10 | C11 | 59.9° | 180.0° |
| C7 | C9 | C10 | H20 | 60.8° | 59.9° |
| C7 | C9 | C10 | H21 | 179.3° | 60.0° |
| C9 | C7 | C6 | H12 | 160.1° | 65.0° |
| C9 | C7 | C6 | H13 | 41.3° | 55.0° |
| C9 | C7 | C8 | H16 | 55.1° | 60.0° |
| C9 | C7 | C8 | H17 | 175.2° | 180.0° |
| C9 | C7 | C8 | H15 | 64.8° | 60.0° |
| C7 | C9 | H18 | H19 | 117.8° | 120.0° |
| C9 | C10 | C11 | H20 | 120.7° | 120.0° |
| C9 | C10 | C11 | H21 | 120.7° | 120.0° |
| C9 | C10 | C11 | C12 | 166.0° | 180.0° |
| C9 | C10 | H20 | H21 | 117.8° | 119.9° |
| C9 | C10 | C11 | H22 | 45.3° | 60.0° |
| C9 | C10 | C11 | H23 | 73.3° | 60.0° |
| C10 | C9 | C7 | H14 | 61.3° | 55.1° |
| C10 | C9 | H18 | H19 | 117.8° | 120.0° |
| C10 | C11 | C12 | H22 | 120.7° | 120.0° |
| C10 | C11 | C12 | H23 | 120.7° | 120.0° |
| C10 | C11 | C12 | C13 | 168.6° | 65.0° |
| C10 | C11 | C12 | C14 | 66.1° | 175.0° |
| C11 | C10 | H20 | H21 | 117.9° | 120.0° |
| C10 | C11 | H22 | H23 | 117.8° | 120.0° |
| C10 | C11 | C12 | H24 | 51.6° | 55.0° |
| C11 | C10 | C9 | H18 | 179.4° | 60.0° |
| C11 | C10 | C9 | H19 | 60.8° | 60.0° |
| C11 | C12 | C13 | C14 | 125.9° | 120.0° |
| C11 | C12 | C13 | H24 | 117.0° | 120.0° |
| C11 | C12 | C14 | H24 | 117.6° | 120.0° |
| C11 | C12 | C14 | C15 | 156.8° | 175.0° |
| C12 | C11 | C10 | H20 | 73.3° | 60.0° |
| C12 | C11 | C10 | H21 | 45.3° | 60.0° |
| C12 | C11 | H22 | H23 | 117.9° | 120.0° |
| C11 | C12 | C13 | H26 | 180.0° | 60.0° |
| C11 | C12 | C13 | H27 | 60.0° | 180.0° |
| C11 | C12 | C13 | H25 | 60.0° | 60.0° |
| C11 | C12 | C14 | H28 | 82.5° | 65.0° |
| C11 | C12 | C14 | H29 | 36.1° | 55.0° |
| C13 | C12 | C14 | H24 | 117.0° | 120.0° |
| C13 | C12 | C14 | C15 | 77.8° | 65.0° |
| C13 | C12 | C11 | H22 | 47.9° | 55.0° |
| C13 | C12 | C11 | H23 | 70.7° | 175.0° |
| C12 | C13 | H26 | H27 | 120.0° | 120.0° |
| C12 | C13 | H26 | H25 | 120.0° | 120.0° |
| C12 | C13 | H27 | H25 | 120.0° | 120.0° |
| C13 | C12 | C14 | H28 | 42.9° | 55.0° |
| C13 | C12 | C14 | H29 | 161.5° | 175.0° |
| C12 | C14 | C15 | H28 | 120.7° | 120.0° |
| C12 | C14 | C15 | H29 | 120.7° | 120.0° |
| C12 | C14 | C15 | C16 | 134.1° | 180.0° |
| C14 | C12 | C11 | H22 | 173.2° | 65.0° |
| C14 | C12 | C11 | H23 | 54.6° | 54.9° |
| C14 | C12 | C13 | H26 | 54.0° | 60.0° |
| C14 | C12 | C13 | H27 | 174.0° | 60.0° |
| C14 | C12 | C13 | H25 | 66.0° | 180.0° |
| C12 | C14 | H28 | H29 | 117.9° | 120.1° |
| C12 | C14 | C15 | H30 | 105.3° | 60.0° |
| C12 | C14 | C15 | H31 | 13.6° | 60.0° |
| C14 | C15 | C16 | H30 | 120.6° | 120.0° |
| C14 | C15 | C16 | H31 | 120.6° | 120.0° |
| C14 | C15 | C16 | C17 | 171.3° | 180.0° |
| C15 | C14 | C12 | H24 | 39.2° | 55.0° |
| C15 | C14 | H28 | H29 | 117.9° | 120.0° |
| C14 | C15 | H30 | H31 | 118.2° | 120.0° |
| C14 | C15 | C16 | H32 | 68.0° | 60.0° |
| C14 | C15 | C16 | H33 | 50.6° | 60.0° |
| C15 | C16 | C17 | H32 | 120.7° | 120.0° |
| C15 | C16 | C17 | H33 | 120.7° | 120.0° |
| C15 | C16 | C17 | C18 | 105.8° | 65.0° |
| C15 | C16 | C17 | C19 | 128.2° | 175.0° |
| C16 | C15 | C14 | H28 | 13.4° | 60.0° |
| C16 | C15 | C14 | H29 | 105.2° | 60.0° |
| C16 | C15 | H30 | H31 | 118.2° | 120.0° |
| C15 | C16 | H32 | H33 | 117.9° | 120.1° |
| C15 | C16 | C17 | H34 | 11.7° | 55.0° |
| C16 | C17 | C18 | C19 | 124.2° | 120.0° |
| C16 | C17 | C18 | H34 | 117.5° | 120.0° |
| C16 | C17 | C19 | H34 | 116.5° | 120.0° |
| C16 | C17 | C19 | C20 | 157.1° | 175.0° |
| C17 | C16 | C15 | H30 | 50.7° | 60.0° |
| C17 | C16 | C15 | H31 | 68.1° | 60.0° |
| C17 | C16 | H32 | H33 | 117.8° | 120.0° |
| C16 | C17 | C18 | H35 | 180.0° | 60.0° |
| C16 | C17 | C18 | H37 | 60.0° | 180.0° |
| C16 | C17 | C18 | H36 | 60.0° | 60.0° |
| C16 | C17 | C19 | H38 | 35.8° | 65.0° |
| C16 | C17 | C19 | H39 | 81.6° | 55.0° |
| C18 | C17 | C19 | H34 | 118.3° | 120.0° |
| C18 | C17 | C19 | C20 | 31.9° | 65.0° |
| C18 | C17 | C16 | H32 | 14.9° | 55.0° |
| C18 | C17 | C16 | H33 | 133.5° | 175.0° |
| C17 | C18 | H35 | H37 | 120.0° | 120.0° |
| C17 | C18 | H35 | H36 | 120.0° | 120.0° |
| C17 | C18 | H37 | H36 | 120.0° | 119.9° |
| C18 | C17 | C19 | H38 | 89.3° | 55.0° |
| C18 | C17 | C19 | H39 | 153.2° | 175.0° |
| C17 | C19 | C20 | H38 | 121.3° | 120.0° |
| C17 | C19 | C20 | H39 | 121.3° | 120.0° |
| C17 | C19 | C20 | O1 | 170.2° | 180.0° |
| C19 | C17 | C16 | H32 | 111.1° | 65.0° |
| C19 | C17 | C16 | H33 | 7.5° | 55.0° |
| C19 | C17 | C18 | H35 | 55.8° | 60.0° |
| C19 | C17 | C18 | H37 | 175.8° | 60.0° |
| C19 | C17 | C18 | H36 | 64.1° | 179.9° |
| C17 | C19 | H38 | H39 | 116.0° | 120.0° |
| C17 | C19 | C20 | H40 | 70.1° | 60.0° |
| C17 | C19 | C20 | H41 | 50.5° | 59.9° |
| C19 | C20 | O1 | H40 | 119.7° | 120.0° |
| C19 | C20 | O1 | H41 | 119.7° | 120.0° |
| C19 | C20 | O1 | C21 | 178.0° | 180.0° |
| C20 | C19 | C17 | H34 | 86.4° | 55.0° |
| C20 | C19 | H38 | H39 | 116.0° | 120.0° |
| C19 | C20 | H40 | H41 | 121.0° | 120.0° |
| C20 | O1 | C21 | C22 | 108.2° | 180.0° |
| O1 | C20 | C19 | H38 | 48.9° | 60.0° |
| O1 | C20 | C19 | H39 | 68.5° | 60.0° |
| O1 | C20 | H40 | H41 | 121.0° | 120.0° |
| C20 | O1 | C21 | H42 | 11.5° | 60.0° |
| C20 | O1 | C21 | H43 | 132.2° | 59.9° |
| O1 | C21 | C22 | H42 | 119.6° | 120.0° |
| O1 | C21 | C22 | H43 | 119.6° | 120.1° |
| O1 | C21 | C22 | C23 | 177.3° | 55.0° |
| O1 | C21 | C22 | O6 | 60.1° | 65.0° |
| C21 | O1 | C20 | H40 | 62.3° | 59.9° |
| C21 | O1 | C20 | H41 | 58.4° | 60.0° |
| O1 | C21 | H42 | H43 | 121.1° | 120.0° |
| O1 | C21 | C22 | H44 | 58.1° | 175.0° |
| C21 | C22 | C23 | O6 | 121.3° | 120.0° |
| C21 | C22 | C23 | H44 | 119.2° | 120.0° |
| C21 | C22 | C23 | O2 | 35.2° | 55.0° |
| C21 | C22 | O6 | H44 | 117.6° | 120.0° |
| C21 | C22 | O6 | C26 | 134.9° | 150.0° |
| C22 | C21 | H42 | H43 | 121.1° | 119.9° |
| C21 | C22 | C23 | H45 | 155.3° | 175.0° |
| C21 | C22 | C23 | H46 | 84.9° | 65.0° |
| C22 | C23 | O2 | H45 | 120.2° | 120.0° |
| C22 | C23 | O2 | H46 | 120.1° | 119.9° |
| C22 | C23 | O2 | P1 | 151.6° | 180.0° |
| C23 | C22 | O6 | H44 | 118.9° | 119.9° |
| C23 | C22 | O6 | C26 | 101.6° | 89.9° |
| C23 | C22 | C21 | H42 | 57.7° | 65.0° |
| C23 | C22 | C21 | H43 | 63.1° | 175.1° |
| C22 | C23 | H45 | H46 | 119.6° | 120.0° |
| C23 | O2 | P1 | O3 | 171.1° | 65.0° |
| C23 | O2 | P1 | O4 | 56.4° | 175.0° |
| C23 | O2 | P1 | O5 | 57.6° | 55.0° |
| O2 | C23 | C22 | O6 | 86.1° | 65.0° |
| O2 | C23 | C22 | H44 | 154.4° | 175.0° |
| O2 | C23 | H45 | H46 | 119.6° | 120.0° |
| O2 | P1 | O3 | O4 | 110.6° | 120.0° |
| O2 | P1 | O3 | O5 | 124.6° | 120.0° |
| O2 | P1 | O4 | O5 | 114.1° | 120.0° |
| O2 | P1 | O4 | C24 | 60.0° | 175.0° |
| P1 | O2 | C23 | H45 | 88.3° | 60.1° |
| P1 | O2 | C23 | H46 | 31.5° | 60.0° |
| O2 | P1 | O3 | H94 | 124.6° | 60.0° |
| O3 | P1 | O4 | O5 | 131.5° | 120.0° |
| O3 | P1 | O4 | C24 | 54.5° | 65.0° |
| P1 | O4 | C24 | C25 | 131.0° | 180.0° |
| P1 | O4 | C24 | H47 | 109.0° | 60.0° |
| P1 | O4 | C24 | H48 | 11.0° | 60.0° |
| O4 | P1 | O3 | H94 | 124.8° | 60.0° |
| O4 | C24 | C25 | H47 | 120.0° | 120.0° |
| O4 | C24 | C25 | H48 | 120.0° | 120.0° |
| O4 | C24 | C25 | N1 | 130.4° | 65.0° |
| C24 | O4 | P1 | O5 | 174.0° | 55.0° |
| O4 | C24 | H47 | H48 | 120.0° | 120.0° |
| O4 | C24 | C25 | H50 | 10.0° | 175.0° |
| O4 | C24 | C25 | H49 | 109.3° | 55.0° |
| C24 | C25 | N1 | H50 | 120.4° | 119.9° |
| C24 | C25 | N1 | H49 | 120.4° | 120.0° |
| C25 | C24 | H47 | H48 | 120.0° | 120.1° |
| C24 | C25 | H50 | H49 | 118.8° | 120.0° |
| C24 | C25 | N1 | H52 | 180.0° | 56.0° |
| C24 | C25 | N1 | H51 | 60.0° | 180.0° |
| N1 | C25 | C24 | H47 | 109.7° | 175.0° |
| N1 | C25 | C24 | H48 | 10.4° | 54.9° |
| N1 | C25 | H50 | H49 | 118.8° | 120.1° |
| C25 | N1 | H52 | H51 | 120.0° | 124.0° |
| O5 | P1 | O3 | H94 | 0.0° | 180.0° |
| C22 | O6 | C26 | C27 | 163.3° | 180.0° |
| O6 | C22 | C21 | H42 | 179.7° | 175.0° |
| O6 | C22 | C21 | H43 | 59.5° | 55.0° |
| O6 | C22 | C23 | H45 | 34.0° | 54.9° |
| O6 | C22 | C23 | H46 | 153.8° | 175.0° |
| C22 | O6 | C26 | H53 | 43.0° | 60.0° |
| C22 | O6 | C26 | H54 | 76.5° | 60.1° |
| O6 | C26 | C27 | H53 | 120.2° | 120.0° |
| O6 | C26 | C27 | H54 | 120.3° | 119.9° |
| O6 | C26 | C27 | C28 | 42.1° | 180.0° |
| C26 | O6 | C22 | H44 | 17.3° | 30.0° |
| O6 | C26 | H53 | H54 | 119.2° | 120.0° |
| O6 | C26 | C27 | H56 | 163.0° | 60.0° |
| O6 | C26 | C27 | H55 | 78.7° | 60.0° |
| C26 | C27 | C28 | H56 | 120.8° | 120.0° |
| C26 | C27 | C28 | H55 | 120.8° | 120.0° |
| C26 | C27 | C28 | C29 | 97.9° | 65.1° |
| C26 | C27 | C28 | C30 | 135.9° | 175.0° |
| C27 | C26 | H53 | H54 | 119.2° | 120.0° |
| C26 | C27 | H56 | H55 | 117.4° | 120.0° |
| C26 | C27 | C28 | H57 | 18.1° | 55.0° |
| C27 | C28 | C29 | C30 | 127.0° | 119.9° |
| C27 | C28 | C29 | H57 | 116.1° | 120.0° |
| C27 | C28 | C30 | H57 | 117.8° | 120.0° |
| C27 | C28 | C30 | C31 | 176.2° | 175.0° |
| C28 | C27 | C26 | H53 | 78.1° | 60.0° |
| C28 | C27 | C26 | H54 | 162.4° | 60.1° |
| C28 | C27 | H56 | H55 | 117.4° | 120.0° |
| C27 | C28 | C29 | H60 | 180.0° | 59.9° |
| C27 | C28 | C29 | H59 | 60.0° | 60.1° |
| C27 | C28 | C29 | H58 | 60.0° | 180.0° |
| C27 | C28 | C30 | H61 | 55.6° | 55.0° |
| C27 | C28 | C30 | H62 | 63.2° | 65.0° |
| C29 | C28 | C30 | H57 | 116.9° | 120.0° |
| C29 | C28 | C30 | C31 | 58.5° | 65.0° |
| C29 | C28 | C27 | H56 | 141.3° | 175.0° |
| C29 | C28 | C27 | H55 | 22.9° | 54.9° |
| C28 | C29 | H60 | H59 | 120.0° | 120.0° |
| C28 | C29 | H60 | H58 | 120.0° | 120.0° |
| C28 | C29 | H59 | H58 | 120.0° | 120.0° |
| C29 | C28 | C30 | H61 | 179.1° | 175.0° |
| C29 | C28 | C30 | H62 | 62.1° | 55.0° |
| C28 | C30 | C31 | H61 | 120.6° | 120.0° |
| C28 | C30 | C31 | H62 | 120.6° | 120.0° |
| C28 | C30 | C31 | C32 | 149.2° | 180.0° |
| C30 | C28 | C27 | H56 | 15.1° | 55.0° |
| C30 | C28 | C27 | H55 | 103.3° | 65.0° |
| C30 | C28 | C29 | H60 | 53.0° | 60.0° |
| C30 | C28 | C29 | H59 | 67.0° | 180.0° |
| C30 | C28 | C29 | H58 | 173.0° | 60.0° |
| C28 | C30 | H61 | H62 | 118.1° | 120.0° |
| C28 | C30 | C31 | H63 | 89.8° | 60.0° |
| C28 | C30 | C31 | H64 | 28.2° | 60.0° |
| C30 | C31 | C32 | H63 | 121.0° | 120.0° |
| C30 | C31 | C32 | H64 | 121.0° | 120.0° |
| C30 | C31 | C32 | C33 | 54.8° | 180.0° |
| C31 | C30 | C28 | H57 | 58.5° | 55.0° |
| C31 | C30 | H61 | H62 | 118.1° | 120.0° |
| C30 | C31 | H63 | H64 | 116.9° | 120.1° |
| C30 | C31 | C32 | H65 | 65.9° | 60.0° |
| C30 | C31 | C32 | H66 | 175.5° | 60.0° |
| C31 | C32 | C33 | H65 | 120.7° | 120.0° |
| C31 | C32 | C33 | H66 | 120.7° | 120.0° |
| C31 | C32 | C33 | C34 | 43.0° | 65.0° |
| C31 | C32 | C33 | C35 | 168.3° | 175.0° |
| C32 | C31 | C30 | H61 | 28.5° | 60.0° |
| C32 | C31 | C30 | H62 | 90.2° | 60.0° |
| C32 | C31 | H63 | H64 | 117.0° | 120.0° |
| C31 | C32 | H65 | H66 | 117.8° | 120.0° |
| C31 | C32 | C33 | H67 | 73.7° | 55.0° |
| C32 | C33 | C34 | C35 | 126.8° | 120.0° |
| C32 | C33 | C34 | H67 | 116.7° | 120.1° |
| C32 | C33 | C35 | H67 | 118.0° | 120.0° |
| C32 | C33 | C35 | C36 | 50.6° | 175.0° |
| C33 | C32 | C31 | H63 | 175.8° | 60.0° |
| C33 | C32 | C31 | H64 | 66.2° | 60.0° |
| C33 | C32 | H65 | H66 | 117.9° | 120.0° |
| C32 | C33 | C34 | H69 | 180.0° | 60.0° |
| C32 | C33 | C34 | H70 | 60.0° | 60.1° |
| C32 | C33 | C34 | H68 | 60.0° | 180.0° |
| C32 | C33 | C35 | H71 | 70.2° | 55.1° |
| C32 | C33 | C35 | H72 | 171.3° | 65.0° |
| C34 | C33 | C35 | H67 | 116.4° | 120.0° |
| C34 | C33 | C35 | C36 | 176.2° | 65.0° |
| C34 | C33 | C32 | H65 | 163.7° | 175.0° |
| C34 | C33 | C32 | H66 | 77.7° | 55.0° |
| C33 | C34 | H69 | H70 | 120.0° | 120.0° |
| C33 | C34 | H69 | H68 | 120.0° | 120.0° |
| C33 | C34 | H70 | H68 | 120.0° | 120.0° |
| C34 | C33 | C35 | H71 | 55.4° | 175.1° |
| C34 | C33 | C35 | H72 | 63.1° | 55.0° |
| C33 | C35 | C36 | H71 | 120.7° | 119.9° |
| C33 | C35 | C36 | H72 | 120.7° | 120.0° |
| C33 | C35 | C36 | C37 | 101.1° | 180.0° |
| C35 | C33 | C32 | H65 | 71.0° | 55.0° |
| C35 | C33 | C32 | H66 | 47.6° | 65.0° |
| C35 | C33 | C34 | H69 | 53.2° | 60.0° |
| C35 | C33 | C34 | H70 | 66.8° | 180.0° |
| C35 | C33 | C34 | H68 | 173.2° | 60.0° |
| C33 | C35 | H71 | H72 | 117.7° | 120.1° |
| C33 | C35 | C36 | H73 | 138.3° | 60.0° |
| C33 | C35 | C36 | H74 | 19.5° | 60.0° |
| C35 | C36 | C37 | H73 | 120.6° | 120.0° |
| C35 | C36 | C37 | H74 | 120.6° | 120.0° |
| C35 | C36 | C37 | C38 | 139.4° | 180.0° |
| C36 | C35 | C33 | H67 | 67.4° | 55.0° |
| C36 | C35 | H71 | H72 | 117.8° | 120.0° |
| C35 | C36 | H73 | H74 | 118.0° | 120.1° |
| C35 | C36 | C37 | H75 | 18.7° | 60.1° |
| C35 | C36 | C37 | H76 | 99.9° | 60.0° |
| C36 | C37 | C38 | H75 | 120.7° | 120.0° |
| C36 | C37 | C38 | H76 | 120.7° | 120.0° |
| C36 | C37 | C38 | C39 | 67.8° | 65.0° |
| C36 | C37 | C38 | C40 | 166.5° | 175.0° |
| C37 | C36 | C35 | H71 | 19.7° | 60.0° |
| C37 | C36 | C35 | H72 | 138.2° | 60.0° |
| C37 | C36 | H73 | H74 | 118.0° | 120.0° |
| C36 | C37 | H75 | H76 | 117.9° | 120.1° |
| C36 | C37 | C38 | H77 | 49.6° | 55.0° |
| C37 | C38 | C39 | C40 | 125.0° | 120.0° |
| C37 | C38 | C39 | H77 | 117.4° | 120.0° |
| C37 | C38 | C40 | H77 | 117.0° | 120.1° |
| C37 | C38 | C40 | C41 | 81.7° | 175.0° |
| C38 | C37 | C36 | H73 | 99.9° | 60.0° |
| C38 | C37 | C36 | H74 | 18.8° | 60.0° |
| C38 | C37 | H75 | H76 | 117.9° | 120.0° |
| C37 | C38 | C39 | H79 | 180.0° | 60.0° |
| C37 | C38 | C39 | H80 | 60.0° | 60.0° |
| C37 | C38 | C39 | H78 | 60.0° | 180.0° |
| C37 | C38 | C40 | H81 | 38.9° | 55.0° |
| C37 | C38 | C40 | H82 | 157.7° | 64.9° |
| C39 | C38 | C40 | H77 | 117.6° | 119.9° |
| C39 | C38 | C40 | C41 | 152.8° | 65.0° |
| C39 | C38 | C37 | H75 | 171.5° | 175.0° |
| C39 | C38 | C37 | H76 | 52.9° | 55.0° |
| C38 | C39 | H79 | H80 | 120.0° | 120.0° |
| C38 | C39 | H79 | H78 | 120.0° | 120.0° |
| C38 | C39 | H80 | H78 | 120.0° | 120.0° |
| C39 | C38 | C40 | H81 | 86.6° | 175.0° |
| C39 | C38 | C40 | H82 | 32.2° | 55.1° |
| C38 | C40 | C41 | H81 | 120.6° | 120.0° |
| C38 | C40 | C41 | H82 | 120.6° | 120.0° |
| C38 | C40 | C41 | C42 | 80.9° | 180.0° |
| C40 | C38 | C37 | H75 | 45.8° | 55.0° |
| C40 | C38 | C37 | H76 | 72.8° | 65.0° |
| C40 | C38 | C39 | H79 | 55.0° | 60.0° |
| C40 | C38 | C39 | H80 | 65.0° | 180.0° |
| C40 | C38 | C39 | H78 | 175.0° | 60.0° |
| C38 | C40 | H81 | H82 | 118.1° | 120.0° |
| C38 | C40 | C41 | H83 | 39.8° | 60.0° |
| C38 | C40 | C41 | H84 | 158.4° | 60.0° |
| C40 | C41 | C42 | H83 | 120.7° | 120.0° |
| C40 | C41 | C42 | H84 | 120.7° | 120.0° |
| C40 | C41 | C42 | C43 | 160.7° | 180.0° |
| C41 | C40 | C38 | H77 | 35.3° | 54.9° |
| C41 | C40 | H81 | H82 | 118.1° | 120.0° |
| C40 | C41 | H83 | H84 | 117.9° | 120.0° |
| C40 | C41 | C42 | H86 | 78.4° | 60.0° |
| C40 | C41 | C42 | H85 | 39.8° | 60.0° |
| C41 | C42 | C43 | H86 | 120.9° | 120.0° |
| C41 | C42 | C43 | H85 | 120.9° | 120.0° |
| C41 | C42 | C43 | C44 | 58.1° | 65.0° |
| C41 | C42 | C43 | C45 | 178.0° | 175.0° |
| C42 | C41 | C40 | H81 | 158.5° | 60.0° |
| C42 | C41 | C40 | H82 | 39.7° | 60.0° |
| C42 | C41 | H83 | H84 | 117.9° | 120.0° |
| C41 | C42 | H86 | H85 | 117.2° | 120.0° |
| C41 | C42 | C43 | H87 | 60.6° | 55.0° |
| C42 | C43 | C44 | C45 | 123.6° | 120.1° |
| C42 | C43 | C44 | H87 | 118.9° | 120.0° |
| C42 | C43 | C45 | H87 | 117.5° | 120.0° |
| C43 | C42 | C41 | H83 | 40.0° | 60.0° |
| C43 | C42 | C41 | H84 | 78.7° | 60.0° |
| C43 | C42 | H86 | H85 | 117.2° | 120.0° |
| C42 | C43 | C44 | H90 | 180.0° | 180.0° |
| C42 | C43 | C44 | H88 | 60.0° | 60.0° |
| C42 | C43 | C44 | H89 | 60.0° | 60.0° |
| C42 | C43 | C45 | H91 | 180.0° | 60.0° |
| C42 | C43 | C45 | H92 | 60.0° | 180.0° |
| C42 | C43 | C45 | H93 | 60.0° | 60.0° |
| C44 | C43 | C45 | H87 | 117.5° | 119.9° |
| C44 | C43 | C42 | H86 | 62.7° | 55.0° |
| C44 | C43 | C42 | H85 | 179.0° | 175.0° |
| C43 | C44 | H90 | H88 | 120.0° | 120.0° |
| C43 | C44 | H90 | H89 | 120.0° | 120.0° |
| C43 | C44 | H88 | H89 | 120.0° | 119.9° |
| C44 | C43 | C45 | H91 | 55.0° | 180.0° |
| C44 | C43 | C45 | H92 | 65.0° | 59.9° |
| C44 | C43 | C45 | H93 | 175.0° | 60.1° |
| C45 | C43 | C42 | H86 | 61.1° | 65.0° |
| C45 | C43 | C42 | H85 | 57.1° | 55.0° |
| C45 | C43 | C44 | H90 | 56.4° | 60.0° |
| C45 | C43 | C44 | H88 | 176.4° | 180.0° |
| C45 | C43 | C44 | H89 | 63.6° | 60.0° |
| C43 | C45 | H91 | H92 | 120.0° | 120.1° |
| C43 | C45 | H91 | H93 | 120.0° | 120.0° |
| C43 | C45 | H92 | H93 | 120.0° | 120.0° |
| H1 | C1 | H3 | H2 | 120.0° | 120.1° |
| H1 | C1 | C2 | H4 | 62.5° | 59.9° |
| H3 | C1 | C2 | H4 | 57.5° | 60.0° |
| H2 | C1 | C2 | H4 | 177.4° | 180.0° |
| H20 | C10 | C11 | H22 | 165.9° | 60.0° |
| H20 | C10 | C11 | H23 | 47.4° | 180.0° |
| H20 | C10 | C9 | H18 | 60.0° | 180.0° |
| H20 | C10 | C9 | H19 | 178.6° | 60.0° |
| H21 | C10 | C11 | H22 | 75.5° | 180.0° |
| H21 | C10 | C11 | H23 | 166.0° | 60.0° |
| H21 | C10 | C9 | H18 | 58.6° | 60.1° |
| H21 | C10 | C9 | H19 | 60.0° | 180.0° |
| H22 | C11 | C12 | H24 | 69.1° | 175.0° |
| H23 | C11 | C12 | H24 | 172.3° | 65.0° |
| H24 | C12 | C13 | H26 | 63.0° | 180.0° |
| H24 | C12 | C13 | H27 | 57.0° | 60.0° |
| H24 | C12 | C13 | H25 | 177.0° | 60.0° |
| H24 | C12 | C14 | H28 | 159.9° | 175.0° |
| H24 | C12 | C14 | H29 | 81.5° | 65.0° |
| H26 | C13 | H27 | H25 | 120.0° | 120.0° |
| H28 | C14 | C15 | H30 | 134.0° | 180.0° |
| H28 | C14 | C15 | H31 | 107.1° | 60.0° |
| H29 | C14 | C15 | H30 | 15.4° | 60.0° |
| H29 | C14 | C15 | H31 | 134.3° | 180.0° |
| H30 | C15 | C16 | H32 | 171.4° | 179.9° |
| H30 | C15 | C16 | H33 | 70.0° | 60.0° |
| H31 | C15 | C16 | H32 | 52.6° | 60.0° |
| H31 | C15 | C16 | H33 | 171.2° | 180.0° |
| H32 | C16 | C17 | H34 | 132.4° | 175.0° |
| H33 | C16 | C17 | H34 | 109.0° | 65.0° |
| H34 | C17 | C18 | H35 | 62.5° | 180.0° |
| H34 | C17 | C18 | H37 | 57.5° | 60.0° |
| H34 | C17 | C18 | H36 | 177.5° | 59.9° |
| H34 | C17 | C19 | H38 | 152.4° | 175.0° |
| H34 | C17 | C19 | H39 | 34.9° | 65.0° |
| H35 | C18 | H37 | H36 | 120.0° | 120.1° |
| H38 | C19 | C20 | H40 | 168.6° | 179.9° |
| H38 | C19 | C20 | H41 | 70.8° | 60.0° |
| H39 | C19 | C20 | H40 | 51.1° | 60.0° |
| H39 | C19 | C20 | H41 | 171.8° | 179.9° |
| H4 | C2 | C3 | H6 | 62.5° | 60.0° |
| H4 | C2 | C3 | H7 | 177.5° | 60.0° |
| H4 | C2 | C3 | H5 | 57.5° | 180.0° |
| H4 | C2 | C4 | H8 | 120.1° | 175.0° |
| H4 | C2 | C4 | H9 | 121.7° | 65.0° |
| H42 | C21 | C22 | H44 | 61.5° | 55.0° |
| H43 | C21 | C22 | H44 | 177.7° | 64.9° |
| H44 | C22 | C23 | H45 | 85.5° | 65.0° |
| H44 | C22 | C23 | H46 | 34.3° | 55.1° |
| H47 | C24 | C25 | H50 | 129.9° | 55.0° |
| H47 | C24 | C25 | H49 | 10.7° | 65.0° |
| H48 | C24 | C25 | H50 | 110.0° | 65.0° |
| H48 | C24 | C25 | H49 | 130.8° | 175.0° |
| H50 | C25 | N1 | H52 | 59.6° | 63.9° |
| H50 | C25 | N1 | H51 | 179.6° | 60.1° |
| H49 | C25 | N1 | H52 | 59.6° | 176.1° |
| H49 | C25 | N1 | H51 | 60.4° | 60.0° |
| H53 | C26 | C27 | H56 | 42.7° | 60.0° |
| H53 | C26 | C27 | H55 | 161.1° | NaN° |
| H54 | C26 | C27 | H56 | 76.8° | 180.0° |
| H54 | C26 | C27 | H55 | 41.6° | 60.0° |
| H56 | C27 | C28 | H57 | 102.7° | 65.0° |
| H55 | C27 | C28 | H57 | 138.9° | 175.0° |
| H57 | C28 | C29 | H60 | 63.9° | 180.0° |
| H57 | C28 | C29 | H59 | 176.1° | 60.0° |
| H57 | C28 | C29 | H58 | 56.1° | 60.0° |
| H57 | C28 | C30 | H61 | 62.1° | 65.0° |
| H57 | C28 | C30 | H62 | 179.1° | 175.0° |
| H60 | C29 | H59 | H58 | 120.0° | 120.0° |
| H6 | C3 | H7 | H5 | 120.0° | 119.9° |
| H61 | C30 | C31 | H63 | 149.5° | 179.9° |
| H61 | C30 | C31 | H64 | 92.4° | 60.0° |
| H62 | C30 | C31 | H63 | 30.8° | 59.9° |
| H62 | C30 | C31 | H64 | 148.8° | 180.0° |
| H63 | C31 | C32 | H65 | 55.1° | 180.0° |
| H63 | C31 | C32 | H66 | 63.5° | 60.0° |
| H64 | C31 | C32 | H65 | 173.1° | 60.0° |
| H64 | C31 | C32 | H66 | 54.5° | 180.0° |
| H65 | C32 | C33 | H67 | 47.0° | 65.0° |
| H66 | C32 | C33 | H67 | 165.6° | 175.0° |
| H67 | C33 | C34 | H69 | 63.3° | 179.9° |
| H67 | C33 | C34 | H70 | 176.7° | 60.0° |
| H67 | C33 | C34 | H68 | 56.7° | 59.9° |
| H67 | C33 | C35 | H71 | 171.8° | 64.9° |
| H67 | C33 | C35 | H72 | 53.3° | 175.0° |
| H69 | C34 | H70 | H68 | 120.0° | 120.0° |
| H71 | C35 | C36 | H73 | 101.0° | 180.0° |
| H71 | C35 | C36 | H74 | 140.3° | 59.9° |
| H72 | C35 | C36 | H73 | 17.6° | 60.0° |
| H72 | C35 | C36 | H74 | 101.2° | 180.0° |
| H73 | C36 | C37 | H75 | 139.4° | 180.0° |
| H73 | C36 | C37 | H76 | 20.7° | 60.0° |
| H74 | C36 | C37 | H75 | 101.9° | 60.0° |
| H74 | C36 | C37 | H76 | 139.5° | 180.0° |
| H75 | C37 | C38 | H77 | 71.2° | 65.0° |
| H76 | C37 | C38 | H77 | 170.2° | 175.0° |
| H77 | C38 | C39 | H79 | 62.6° | 180.0° |
| H77 | C38 | C39 | H80 | 177.4° | 60.0° |
| H77 | C38 | C39 | H78 | 57.4° | 60.0° |
| H77 | C38 | C40 | H81 | 155.9° | 65.1° |
| H77 | C38 | C40 | H82 | 85.3° | 175.0° |
| H79 | C39 | H80 | H78 | 120.0° | 120.0° |
| H8 | C4 | C5 | H10 | 148.1° | 180.0° |
| H8 | C4 | C5 | H11 | 93.3° | 60.1° |
| H9 | C4 | C5 | H10 | 29.8° | 60.0° |
| H9 | C4 | C5 | H11 | 148.4° | 180.0° |
| H81 | C40 | C41 | H83 | 80.8° | 180.0° |
| H81 | C40 | C41 | H84 | 37.8° | 60.1° |
| H82 | C40 | C41 | H83 | 160.4° | 60.0° |
| H82 | C40 | C41 | H84 | 81.0° | 180.0° |
| H83 | C41 | C42 | H86 | 160.9° | 180.0° |
| H83 | C41 | C42 | H85 | 80.9° | 60.0° |
| H84 | C41 | C42 | H86 | 42.2° | 60.0° |
| H84 | C41 | C42 | H85 | 160.4° | 180.0° |
| H86 | C42 | C43 | H87 | 178.5° | 175.0° |
| H85 | C42 | C43 | H87 | 60.3° | 65.1° |
| H87 | C43 | C44 | H90 | 61.1° | 60.0° |
| H87 | C43 | C44 | H88 | 58.9° | 60.0° |
| H87 | C43 | C44 | H89 | 178.9° | 180.0° |
| H87 | C43 | C45 | H91 | 62.5° | 60.1° |
| H87 | C43 | C45 | H92 | 177.5° | 60.0° |
| H87 | C43 | C45 | H93 | 57.5° | 180.0° |
| H90 | C44 | H88 | H89 | 120.0° | 120.1° |
| H91 | C45 | H92 | H93 | 120.0° | 120.0° |
| H10 | C5 | C6 | H12 | 165.2° | 180.0° |
| H10 | C5 | C6 | H13 | 46.5° | 60.1° |
| H11 | C5 | C6 | H12 | 76.2° | 60.0° |
| H11 | C5 | C6 | H13 | 165.0° | 180.0° |
| H12 | C6 | C7 | H14 | 82.6° | 175.0° |
| H13 | C6 | C7 | H14 | 158.6° | 65.0° |
| H14 | C7 | C8 | H16 | 62.5° | 60.0° |
| H14 | C7 | C8 | H17 | 57.5° | 59.9° |
| H14 | C7 | C8 | H15 | 177.5° | 180.0° |
| H14 | C7 | C9 | H18 | 178.0° | 65.0° |
| H14 | C7 | C9 | H19 | 59.4° | 175.0° |
| H16 | C8 | H17 | H15 | 120.0° | 120.0° |
