A1L0S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C2 | C3 | doub | 1.31Å | 1.32Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C4 | C5 | sing | 1.53Å | 1.45Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | C40 | sing | 1.51Å | 1.50Å | |
| C6 | C7 | doub | 1.34Å | 1.32Å | |
| C7 | C8 | sing | 1.42Å | 1.41Å | |
| C8 | C9 | doub | 1.36Å | 1.36Å | |
| C9 | C10 | sing | 1.41Å | 1.39Å | |
| C10 | C11 | doub | 1.37Å | 1.39Å | |
| C10 | C39 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.40Å | 1.36Å | |
| C12 | C13 | doub | 1.38Å | 1.37Å | |
| C13 | C14 | sing | 1.40Å | 1.38Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | |
| C14 | C38 | sing | 1.51Å | 1.49Å | |
| C15 | C16 | sing | 1.40Å | 1.36Å | |
| C16 | C17 | doub | 1.38Å | 1.36Å | |
| C17 | C18 | sing | 1.40Å | 1.36Å | |
| C20 | C19 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | |
| C19 | C21 | sing | 1.40Å | 1.39Å | |
| C21 | C22 | doub | 1.38Å | 1.36Å | |
| C22 | C23 | sing | 1.40Å | 1.37Å | |
| C23 | C24 | doub | 1.38Å | 1.38Å | |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| C24 | C26 | sing | 1.40Å | 1.40Å | |
| C26 | C27 | doub | 1.36Å | 1.37Å | |
| C27 | C28 | sing | 1.41Å | 1.36Å | |
| C28 | C29 | doub | 1.36Å | 1.40Å | |
| C30 | C29 | sing | 1.51Å | 1.51Å | |
| C29 | C31 | sing | 1.42Å | 1.39Å | |
| C31 | C32 | doub | 1.34Å | 1.33Å | |
| C32 | C33 | sing | 1.51Å | 1.50Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | C36 | sing | 1.53Å | 1.53Å | |
| C34 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C37 | sing | 1.43Å | 1.44Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| C28 | H19 | sing | 1.08Å | 1.08Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å | |
| C9 | H24 | sing | 1.08Å | 1.08Å | |
| C11 | H26 | sing | 1.08Å | 1.08Å | |
| C12 | H27 | sing | 1.08Å | 1.08Å | |
| C16 | H28 | sing | 1.08Å | 1.08Å | |
| C18 | H29 | sing | 1.08Å | 1.08Å | |
| C23 | H32 | sing | 1.08Å | 1.08Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.08Å | 1.08Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | H42 | sing | 1.08Å | 1.08Å | |
| C32 | H43 | sing | 1.08Å | 1.08Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C35 | H47 | sing | 1.09Å | 1.10Å | |
| C35 | H48 | sing | 1.09Å | 1.10Å | |
| C36 | H49 | sing | 1.09Å | 1.10Å | |
| C36 | H50 | sing | 1.09Å | 1.10Å | |
| C36 | H51 | sing | 1.09Å | 1.10Å | |
| C37 | H52 | sing | 1.09Å | 1.10Å | |
| C37 | H53 | sing | 1.09Å | 1.10Å | |
| C37 | H54 | sing | 1.09Å | 1.10Å | |
| C38 | H55 | sing | 1.09Å | 1.10Å | |
| C38 | H56 | sing | 1.09Å | 1.10Å | |
| C38 | H57 | sing | 1.09Å | 1.10Å | |
| C39 | H58 | sing | 1.09Å | 1.10Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C40 | H61 | sing | 1.09Å | 1.10Å | |
| C40 | H62 | sing | 1.09Å | 1.10Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| C41 | H64 | sing | 1.09Å | 1.10Å | |
| C41 | H65 | sing | 1.09Å | 1.10Å | |
| C41 | H66 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C41 | C2 | C1 | 115.5° | 120.0° |
| C41 | C2 | C3 | 124.1° | 120.0° |
| C2 | C41 | H64 | 109.5° | 109.5° |
| C2 | C41 | H65 | 109.4° | 109.5° |
| C2 | C41 | H66 | 109.5° | 109.5° |
| C1 | C2 | C3 | 120.3° | 120.0° |
| C2 | C1 | H20 | 109.5° | 109.5° |
| C2 | C1 | H21 | 109.5° | 109.5° |
| C2 | C1 | H22 | 109.5° | 109.5° |
| C2 | C3 | C4 | 125.4° | 120.0° |
| C2 | C3 | H23 | 117.3° | 119.9° |
| C3 | C4 | C5 | 112.9° | 109.5° |
| C3 | C4 | H1 | 108.6° | 109.4° |
| C3 | C4 | H2 | 108.6° | 109.5° |
| C4 | C3 | H23 | 117.3° | 120.0° |
| C4 | C5 | C6 | 111.9° | 109.5° |
| C5 | C4 | H1 | 108.6° | 109.5° |
| C5 | C4 | H2 | 108.6° | 109.4° |
| C4 | C5 | H3 | 108.8° | 109.5° |
| C4 | C5 | H4 | 108.9° | 109.5° |
| C5 | C6 | C40 | 116.5° | 120.0° |
| C5 | C6 | C7 | 118.4° | 120.0° |
| C6 | C5 | H3 | 108.9° | 109.5° |
| C6 | C5 | H4 | 108.8° | 109.5° |
| C40 | C6 | C7 | 125.0° | 120.0° |
| C6 | C40 | H61 | 109.5° | 109.5° |
| C6 | C40 | H62 | 109.5° | 109.4° |
| C6 | C40 | H63 | 109.5° | 109.5° |
| C6 | C7 | C8 | 126.1° | 120.0° |
| C6 | C7 | H6 | 117.0° | 120.0° |
| C7 | C8 | C9 | 122.9° | 120.0° |
| C8 | C7 | H6 | 116.9° | 120.0° |
| C7 | C8 | H7 | 118.5° | 120.0° |
| C8 | C9 | C10 | 129.9° | 120.0° |
| C9 | C8 | H7 | 118.6° | 120.0° |
| C8 | C9 | H24 | 115.0° | 120.0° |
| C9 | C10 | C11 | 120.0° | 120.0° |
| C9 | C10 | C39 | 120.6° | 120.0° |
| C10 | C9 | H24 | 115.0° | 120.0° |
| C11 | C10 | C39 | 119.3° | 120.0° |
| C10 | C11 | C12 | 128.0° | 120.0° |
| C10 | C11 | H26 | 116.0° | 120.0° |
| C10 | C39 | H58 | 109.5° | 109.5° |
| C10 | C39 | H59 | 109.5° | 109.5° |
| C10 | C39 | H60 | 109.5° | 109.5° |
| C11 | C12 | C13 | 124.3° | 119.9° |
| C12 | C11 | H26 | 116.0° | 120.1° |
| C11 | C12 | H27 | 117.9° | 120.1° |
| C12 | C13 | C14 | 129.5° | 119.9° |
| C12 | C13 | H9 | 115.2° | 120.0° |
| C13 | C12 | H27 | 117.8° | 120.0° |
| C13 | C14 | C15 | 120.9° | 120.0° |
| C13 | C14 | C38 | 119.8° | 120.0° |
| C14 | C13 | H9 | 115.3° | 120.0° |
| C15 | C14 | C38 | 119.2° | 120.0° |
| C14 | C15 | C16 | 127.8° | 120.0° |
| C14 | C15 | H10 | 116.1° | 120.0° |
| C14 | C38 | H55 | 109.5° | 109.5° |
| C14 | C38 | H56 | 109.5° | 109.5° |
| C14 | C38 | H57 | 109.5° | 109.4° |
| C15 | C16 | C17 | 128.9° | 120.0° |
| C16 | C15 | H10 | 116.1° | 120.0° |
| C15 | C16 | H28 | 115.5° | 120.0° |
| C16 | C17 | C18 | 125.8° | 120.0° |
| C16 | C17 | H11 | 117.1° | 120.0° |
| C17 | C16 | H28 | 115.6° | 120.0° |
| C17 | C18 | C19 | 129.0° | 120.0° |
| C18 | C17 | H11 | 117.1° | 120.0° |
| C17 | C18 | H29 | 115.5° | 120.0° |
| C20 | C19 | C18 | 120.4° | 120.0° |
| C20 | C19 | C21 | 120.0° | 120.0° |
| C19 | C20 | H13 | 109.5° | 109.5° |
| C19 | C20 | H14 | 109.5° | 109.5° |
| C19 | C20 | H15 | 109.5° | 109.5° |
| C18 | C19 | C21 | 119.5° | 120.0° |
| C19 | C18 | H29 | 115.5° | 120.0° |
| C19 | C21 | C22 | 129.1° | 120.0° |
| C19 | C21 | H16 | 115.5° | 120.0° |
| C21 | C22 | C23 | 123.5° | 120.0° |
| C22 | C21 | H16 | 115.4° | 120.0° |
| C21 | C22 | H17 | 118.3° | 120.0° |
| C22 | C23 | C24 | 130.3° | 120.0° |
| C23 | C22 | H17 | 118.3° | 120.0° |
| C22 | C23 | H32 | 114.8° | 119.9° |
| C23 | C24 | C25 | 119.2° | 120.1° |
| C23 | C24 | C26 | 121.6° | 120.0° |
| C24 | C23 | H32 | 114.8° | 120.1° |
| C25 | C24 | C26 | 119.3° | 120.0° |
| C24 | C25 | H34 | 109.5° | 109.5° |
| C24 | C25 | H35 | 109.4° | 109.5° |
| C24 | C25 | H36 | 109.5° | 109.5° |
| C24 | C26 | C27 | 127.9° | 120.0° |
| C24 | C26 | H18 | 116.0° | 120.0° |
| C26 | C27 | C28 | 126.3° | 120.0° |
| C27 | C26 | H18 | 116.0° | 120.0° |
| C26 | C27 | H37 | 116.8° | 120.0° |
| C27 | C28 | C29 | 129.1° | 120.0° |
| C27 | C28 | H19 | 115.4° | 119.9° |
| C28 | C27 | H37 | 116.8° | 119.9° |
| C28 | C29 | C30 | 120.1° | 120.0° |
| C28 | C29 | C31 | 120.3° | 120.0° |
| C29 | C28 | H19 | 115.5° | 120.0° |
| C30 | C29 | C31 | 119.6° | 120.0° |
| C29 | C30 | H39 | 109.5° | 109.5° |
| C29 | C30 | H40 | 109.5° | 109.5° |
| C29 | C30 | H41 | 109.5° | 109.5° |
| C29 | C31 | C32 | 128.4° | 120.0° |
| C29 | C31 | H42 | 115.8° | 120.0° |
| C31 | C32 | C33 | 123.9° | 120.0° |
| C32 | C31 | H42 | 115.8° | 120.1° |
| C31 | C32 | H43 | 118.0° | 120.1° |
| C32 | C33 | C34 | 116.1° | 109.5° |
| C33 | C32 | H43 | 118.0° | 120.0° |
| C32 | C33 | H44 | 107.8° | 109.5° |
| C32 | C33 | H45 | 107.8° | 109.5° |
| C33 | C34 | C35 | 109.5° | 109.5° |
| C33 | C34 | C36 | 111.4° | 109.5° |
| C33 | C34 | O1 | 105.7° | 109.5° |
| C34 | C33 | H44 | 107.8° | 109.5° |
| C34 | C33 | H45 | 107.8° | 109.5° |
| C35 | C34 | C36 | 112.0° | 109.4° |
| C35 | C34 | O1 | 110.3° | 109.5° |
| C34 | C35 | H46 | 109.5° | 109.5° |
| C34 | C35 | H47 | 109.5° | 109.5° |
| C34 | C35 | H48 | 109.5° | 109.4° |
| C36 | C34 | O1 | 107.7° | 109.5° |
| C34 | C36 | H49 | 109.5° | 109.5° |
| C34 | C36 | H50 | 109.4° | 109.5° |
| C34 | C36 | H51 | 109.5° | 109.5° |
| C34 | O1 | C37 | 120.2° | 114.0° |
| O1 | C37 | H52 | 109.5° | 109.4° |
| O1 | C37 | H53 | 109.4° | 109.5° |
| O1 | C37 | H54 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.4° | 109.5° |
| H13 | C20 | H15 | 109.4° | 109.4° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H20 | C1 | H21 | 109.5° | 109.5° |
| H20 | C1 | H22 | 109.4° | 109.5° |
| H21 | C1 | H22 | 109.4° | 109.4° |
| H34 | C25 | H35 | 109.5° | 109.4° |
| H34 | C25 | H36 | 109.5° | 109.5° |
| H35 | C25 | H36 | 109.5° | 109.4° |
| H39 | C30 | H40 | 109.4° | 109.5° |
| H39 | C30 | H41 | 109.5° | 109.4° |
| H40 | C30 | H41 | 109.5° | 109.4° |
| H44 | C33 | H45 | 109.5° | 109.5° |
| H46 | C35 | H47 | 109.4° | 109.5° |
| H46 | C35 | H48 | 109.4° | 109.4° |
| H47 | C35 | H48 | 109.5° | 109.5° |
| H49 | C36 | H50 | 109.5° | 109.5° |
| H49 | C36 | H51 | 109.5° | 109.4° |
| H50 | C36 | H51 | 109.5° | 109.4° |
| H52 | C37 | H53 | 109.5° | 109.4° |
| H52 | C37 | H54 | 109.5° | 109.5° |
| H53 | C37 | H54 | 109.5° | 109.5° |
| H55 | C38 | H56 | 109.4° | 109.5° |
| H55 | C38 | H57 | 109.5° | 109.5° |
| H56 | C38 | H57 | 109.5° | 109.4° |
| H58 | C39 | H59 | 109.5° | 109.5° |
| H58 | C39 | H60 | 109.5° | 109.4° |
| H59 | C39 | H60 | 109.4° | 109.4° |
| H61 | C40 | H62 | 109.5° | 109.4° |
| H61 | C40 | H63 | 109.5° | 109.5° |
| H62 | C40 | H63 | 109.5° | 109.5° |
| H64 | C41 | H65 | 109.5° | 109.5° |
| H64 | C41 | H66 | 109.5° | 109.5° |
| H65 | C41 | H66 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C41 | C2 | C1 | C3 | 177.6° | 179.9° |
| C41 | C2 | C3 | C4 | 175.6° | 172.4° |
| C41 | C2 | C1 | H20 | 180.0° | 174.4° |
| C41 | C2 | C1 | H21 | 60.0° | 54.3° |
| C41 | C2 | C1 | H22 | 60.0° | 65.6° |
| C41 | C2 | C3 | H23 | 4.4° | 7.5° |
| C2 | C41 | H64 | H65 | 120.0° | 120.0° |
| C2 | C41 | H64 | H66 | 120.0° | 120.0° |
| C2 | C41 | H65 | H66 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 1.8° | 7.7° |
| C2 | C1 | H20 | H21 | 120.0° | 120.0° |
| C2 | C1 | H20 | H22 | 120.0° | 120.0° |
| C2 | C1 | H21 | H22 | 120.0° | 119.9° |
| C1 | C2 | C3 | H23 | 178.2° | 172.4° |
| C1 | C2 | C41 | H64 | 180.0° | 90.0° |
| C1 | C2 | C41 | H65 | 60.0° | 150.0° |
| C1 | C2 | C41 | H66 | 60.0° | 30.1° |
| C2 | C3 | C4 | H23 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 178.3° | 127.2° |
| C2 | C3 | C4 | H1 | 61.2° | 7.2° |
| C2 | C3 | C4 | H2 | 57.7° | 112.8° |
| C3 | C2 | C1 | H20 | 2.4° | 5.6° |
| C3 | C2 | C1 | H21 | 122.5° | 125.6° |
| C3 | C2 | C1 | H22 | 117.6° | 114.5° |
| C3 | C2 | C41 | H64 | 2.5° | 90.0° |
| C3 | C2 | C41 | H65 | 117.5° | 30.0° |
| C3 | C2 | C41 | H66 | 122.5° | 150.0° |
| C3 | C4 | C5 | H1 | 120.5° | 120.0° |
| C3 | C4 | C5 | H2 | 120.5° | 120.0° |
| C3 | C4 | C5 | C6 | 179.9° | 180.0° |
| C3 | C4 | H1 | H2 | 118.5° | 120.0° |
| C3 | C4 | C5 | H3 | 59.7° | 60.0° |
| C3 | C4 | C5 | H4 | 59.5° | 60.0° |
| C4 | C5 | C6 | H3 | 120.4° | 120.0° |
| C4 | C5 | C6 | H4 | 120.4° | 120.0° |
| C4 | C5 | C6 | C40 | 75.1° | 85.0° |
| C4 | C5 | C6 | C7 | 105.6° | 95.0° |
| C5 | C4 | H1 | H2 | 118.4° | 120.0° |
| C4 | C5 | H3 | H4 | 118.9° | 120.0° |
| C5 | C4 | C3 | H23 | 1.7° | 52.7° |
| C5 | C6 | C40 | C7 | 179.3° | 180.0° |
| C5 | C6 | C7 | C8 | 162.0° | 180.0° |
| C6 | C5 | C4 | H1 | 59.4° | 60.0° |
| C6 | C5 | C4 | H2 | 59.6° | 60.0° |
| C6 | C5 | H3 | H4 | 118.9° | 120.0° |
| C5 | C6 | C7 | H6 | 18.0° | 0.0° |
| C5 | C6 | C40 | H61 | 180.0° | 90.0° |
| C5 | C6 | C40 | H62 | 60.0° | 150.0° |
| C5 | C6 | C40 | H63 | 60.0° | 30.0° |
| C40 | C6 | C7 | C8 | 17.3° | 0.0° |
| C40 | C6 | C5 | H3 | 164.6° | 155.0° |
| C40 | C6 | C5 | H4 | 45.3° | 35.0° |
| C40 | C6 | C7 | H6 | 162.7° | 180.0° |
| C6 | C40 | H61 | H62 | 120.0° | 120.0° |
| C6 | C40 | H61 | H63 | 120.0° | 120.0° |
| C6 | C40 | H62 | H63 | 120.0° | 120.0° |
| C6 | C7 | C8 | H6 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 172.9° | 180.0° |
| C7 | C6 | C5 | H3 | 14.8° | 25.0° |
| C7 | C6 | C5 | H4 | 134.0° | 145.0° |
| C6 | C7 | C8 | H7 | 7.1° | 0.0° |
| C7 | C6 | C40 | H61 | 0.7° | 90.0° |
| C7 | C6 | C40 | H62 | 119.3° | 30.0° |
| C7 | C6 | C40 | H63 | 120.7° | 150.0° |
| C7 | C8 | C9 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 173.2° | 180.0° |
| C7 | C8 | C9 | H24 | 6.8° | 0.0° |
| C8 | C9 | C10 | H24 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 162.3° | 180.0° |
| C8 | C9 | C10 | C39 | 18.1° | 0.0° |
| C9 | C8 | C7 | H6 | 7.1° | 0.0° |
| C9 | C10 | C11 | C39 | 179.6° | 179.9° |
| C9 | C10 | C11 | C12 | 173.0° | 180.0° |
| C10 | C9 | C8 | H7 | 6.8° | 0.0° |
| C9 | C10 | C11 | H26 | 7.0° | 0.1° |
| C9 | C10 | C39 | H58 | 180.0° | 90.0° |
| C9 | C10 | C39 | H59 | 60.0° | 30.1° |
| C9 | C10 | C39 | H60 | 60.0° | 150.0° |
| C10 | C11 | C12 | H26 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 172.2° | 180.0° |
| C11 | C10 | C9 | H24 | 17.7° | 0.0° |
| C10 | C11 | C12 | H27 | 7.8° | 0.0° |
| C11 | C10 | C39 | H58 | 0.4° | 90.0° |
| C11 | C10 | C39 | H59 | 119.6° | 150.0° |
| C11 | C10 | C39 | H60 | 120.4° | 30.0° |
| C39 | C10 | C11 | C12 | 6.6° | 0.0° |
| C39 | C10 | C9 | H24 | 161.9° | 179.9° |
| C39 | C10 | C11 | H26 | 173.4° | 180.0° |
| C10 | C39 | H58 | H59 | 120.0° | 120.0° |
| C10 | C39 | H58 | H60 | 120.0° | 120.0° |
| C10 | C39 | H59 | H60 | 120.0° | 120.0° |
| C11 | C12 | C13 | H27 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 178.0° | 180.0° |
| C11 | C12 | C13 | H9 | 2.0° | 0.0° |
| C12 | C13 | C14 | H9 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 174.7° | 180.0° |
| C12 | C13 | C14 | C38 | 7.5° | 0.0° |
| C13 | C12 | C11 | H26 | 7.8° | 0.0° |
| C13 | C14 | C15 | C38 | 177.8° | 180.0° |
| C13 | C14 | C15 | C16 | 165.4° | 180.0° |
| C13 | C14 | C15 | H10 | 14.7° | 0.0° |
| C14 | C13 | C12 | H27 | 2.0° | 0.0° |
| C13 | C14 | C38 | H55 | 180.0° | 90.0° |
| C13 | C14 | C38 | H56 | 60.0° | 150.0° |
| C13 | C14 | C38 | H57 | 60.0° | 30.0° |
| C14 | C15 | C16 | H10 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 170.9° | 180.0° |
| C15 | C14 | C13 | H9 | 5.3° | 0.0° |
| C14 | C15 | C16 | H28 | 9.1° | 0.0° |
| C15 | C14 | C38 | H55 | 2.2° | 90.0° |
| C15 | C14 | C38 | H56 | 122.2° | 30.0° |
| C15 | C14 | C38 | H57 | 117.8° | 150.0° |
| C38 | C14 | C15 | C16 | 12.4° | 0.0° |
| C38 | C14 | C13 | H9 | 172.5° | 180.0° |
| C38 | C14 | C15 | H10 | 167.5° | 180.0° |
| C14 | C38 | H55 | H56 | 120.0° | 120.1° |
| C14 | C38 | H55 | H57 | 120.0° | 120.0° |
| C14 | C38 | H56 | H57 | 120.0° | 120.0° |
| C15 | C16 | C17 | H28 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 163.8° | 180.0° |
| C15 | C16 | C17 | H11 | 16.2° | 0.0° |
| C16 | C17 | C18 | H11 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 154.3° | 180.0° |
| C17 | C16 | C15 | H10 | 9.2° | 0.0° |
| C16 | C17 | C18 | H29 | 25.7° | 0.0° |
| C17 | C18 | C19 | C20 | 22.8° | 0.0° |
| C17 | C18 | C19 | H29 | 180.0° | 180.0° |
| C17 | C18 | C19 | C21 | 157.0° | 180.0° |
| C18 | C17 | C16 | H28 | 16.2° | 0.0° |
| C20 | C19 | C18 | C21 | 179.8° | 180.0° |
| C20 | C19 | C21 | C22 | 13.9° | 0.0° |
| C19 | C20 | H13 | H14 | 120.0° | 120.0° |
| C19 | C20 | H13 | H15 | 120.0° | 120.0° |
| C19 | C20 | H14 | H15 | 120.0° | 120.1° |
| C20 | C19 | C21 | H16 | 166.1° | 179.9° |
| C20 | C19 | C18 | H29 | 157.2° | 179.9° |
| C18 | C19 | C21 | C22 | 165.9° | 180.0° |
| C19 | C18 | C17 | H11 | 25.7° | 0.0° |
| C18 | C19 | C20 | H13 | 180.0° | 90.0° |
| C18 | C19 | C20 | H14 | 60.0° | 150.0° |
| C18 | C19 | C20 | H15 | 60.0° | 29.9° |
| C18 | C19 | C21 | H16 | 14.1° | 0.0° |
| C19 | C21 | C22 | H16 | 180.0° | 179.9° |
| C19 | C21 | C22 | C23 | 172.0° | 180.0° |
| C21 | C19 | C20 | H13 | 0.2° | 90.0° |
| C21 | C19 | C20 | H14 | 119.8° | 30.0° |
| C21 | C19 | C20 | H15 | 120.2° | 150.0° |
| C19 | C21 | C22 | H17 | 8.0° | 0.1° |
| C21 | C19 | C18 | H29 | 23.0° | 0.0° |
| C21 | C22 | C23 | H17 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 179.7° | 179.9° |
| C21 | C22 | C23 | H32 | 0.3° | 0.0° |
| C22 | C23 | C24 | H32 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 9.2° | 0.1° |
| C22 | C23 | C24 | C26 | 170.6° | 180.0° |
| C23 | C22 | C21 | H16 | 8.0° | 0.1° |
| C23 | C24 | C25 | C26 | 179.8° | 179.9° |
| C23 | C24 | C26 | C27 | 166.8° | 180.0° |
| C24 | C23 | C22 | H17 | 0.3° | 0.0° |
| C23 | C24 | C26 | H18 | 13.2° | 0.0° |
| C23 | C24 | C25 | H34 | 180.0° | 89.9° |
| C23 | C24 | C25 | H35 | 60.0° | 30.0° |
| C23 | C24 | C25 | H36 | 60.0° | 150.0° |
| C25 | C24 | C26 | C27 | 13.4° | 0.0° |
| C25 | C24 | C26 | H18 | 166.6° | 180.0° |
| C25 | C24 | C23 | H32 | 170.8° | 180.0° |
| C24 | C25 | H34 | H35 | 120.0° | 120.0° |
| C24 | C25 | H34 | H36 | 120.0° | 120.1° |
| C24 | C25 | H35 | H36 | 120.0° | 120.0° |
| C24 | C26 | C27 | H18 | 180.0° | 180.0° |
| C24 | C26 | C27 | C28 | 170.9° | 180.0° |
| C26 | C24 | C23 | H32 | 9.4° | 0.1° |
| C26 | C24 | C25 | H34 | 0.2° | 90.0° |
| C26 | C24 | C25 | H35 | 119.8° | 150.0° |
| C26 | C24 | C25 | H36 | 120.2° | 30.1° |
| C24 | C26 | C27 | H37 | 9.2° | 0.0° |
| C26 | C27 | C28 | H37 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 175.3° | 180.0° |
| C26 | C27 | C28 | H19 | 4.6° | 0.0° |
| C27 | C28 | C29 | H19 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 11.8° | 0.0° |
| C27 | C28 | C29 | C31 | 164.4° | 180.0° |
| C28 | C27 | C26 | H18 | 9.1° | 0.0° |
| C28 | C29 | C30 | C31 | 176.3° | 180.0° |
| C28 | C29 | C31 | C32 | 168.9° | 180.0° |
| C29 | C28 | C27 | H37 | 4.7° | 0.0° |
| C28 | C29 | C30 | H39 | 180.0° | 90.0° |
| C28 | C29 | C30 | H40 | 60.0° | 150.0° |
| C28 | C29 | C30 | H41 | 60.0° | 30.0° |
| C28 | C29 | C31 | H42 | 11.1° | 0.0° |
| C30 | C29 | C31 | C32 | 14.8° | 0.0° |
| C30 | C29 | C28 | H19 | 168.2° | 180.0° |
| C29 | C30 | H39 | H40 | 120.0° | 120.0° |
| C29 | C30 | H39 | H41 | 120.0° | 120.0° |
| C29 | C30 | H40 | H41 | 120.0° | 120.0° |
| C30 | C29 | C31 | H42 | 165.2° | 180.0° |
| C29 | C31 | C32 | H42 | 180.0° | 179.9° |
| C29 | C31 | C32 | C33 | 177.1° | 180.0° |
| C31 | C29 | C28 | H19 | 15.6° | 0.0° |
| C31 | C29 | C30 | H39 | 3.7° | 90.0° |
| C31 | C29 | C30 | H40 | 123.7° | 30.0° |
| C31 | C29 | C30 | H41 | 116.3° | 150.0° |
| C29 | C31 | C32 | H43 | 2.9° | 0.1° |
| C31 | C32 | C33 | H43 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 125.6° | 125.0° |
| C31 | C32 | C33 | H44 | 113.4° | 115.0° |
| C31 | C32 | C33 | H45 | 4.7° | 5.0° |
| C32 | C33 | C34 | H44 | 120.9° | 120.0° |
| C32 | C33 | C34 | H45 | 121.0° | 120.0° |
| C32 | C33 | C34 | C35 | 79.5° | 175.0° |
| C32 | C33 | C34 | C36 | 45.0° | 55.0° |
| C32 | C33 | C34 | O1 | 161.7° | 65.0° |
| C33 | C32 | C31 | H42 | 2.9° | 0.1° |
| C32 | C33 | H44 | H45 | 117.0° | 120.0° |
| C33 | C34 | C35 | C36 | 124.1° | 120.0° |
| C33 | C34 | C35 | O1 | 115.9° | 120.1° |
| C33 | C34 | C36 | O1 | 115.5° | 120.0° |
| C33 | C34 | O1 | C37 | 158.1° | 180.0° |
| C34 | C33 | C32 | H43 | 54.4° | 55.0° |
| C34 | C33 | H44 | H45 | 117.0° | 120.0° |
| C33 | C34 | C35 | H46 | 180.0° | 59.9° |
| C33 | C34 | C35 | H47 | 60.0° | 180.0° |
| C33 | C34 | C35 | H48 | 60.0° | 60.0° |
| C33 | C34 | C36 | H49 | 180.0° | 60.0° |
| C33 | C34 | C36 | H50 | 60.0° | 180.0° |
| C33 | C34 | C36 | H51 | 60.0° | 60.0° |
| C35 | C34 | C36 | O1 | 121.5° | 120.0° |
| C35 | C34 | O1 | C37 | 39.8° | 60.0° |
| C35 | C34 | C33 | H44 | 159.6° | 65.0° |
| C35 | C34 | C33 | H45 | 41.5° | 55.0° |
| C34 | C35 | H46 | H47 | 120.0° | 120.0° |
| C34 | C35 | H46 | H48 | 120.0° | 119.9° |
| C34 | C35 | H47 | H48 | 120.0° | 120.0° |
| C35 | C34 | C36 | H49 | 57.0° | 180.0° |
| C35 | C34 | C36 | H50 | 63.0° | 60.0° |
| C35 | C34 | C36 | H51 | 177.0° | 60.0° |
| C36 | C34 | O1 | C37 | 82.8° | 60.0° |
| C36 | C34 | C33 | H44 | 76.0° | 175.0° |
| C36 | C34 | C33 | H45 | 165.9° | 65.0° |
| C36 | C34 | C35 | H46 | 55.9° | 60.0° |
| C36 | C34 | C35 | H47 | 175.9° | 60.0° |
| C36 | C34 | C35 | H48 | 64.1° | 180.0° |
| C34 | C36 | H49 | H50 | 120.0° | 120.0° |
| C34 | C36 | H49 | H51 | 120.0° | 120.1° |
| C34 | C36 | H50 | H51 | 120.0° | 120.1° |
| O1 | C34 | C33 | H44 | 40.8° | 55.0° |
| O1 | C34 | C33 | H45 | 77.3° | 175.0° |
| O1 | C34 | C35 | H46 | 64.1° | 180.0° |
| O1 | C34 | C35 | H47 | 55.9° | 59.9° |
| O1 | C34 | C35 | H48 | 175.9° | 60.1° |
| O1 | C34 | C36 | H49 | 64.5° | 60.0° |
| O1 | C34 | C36 | H50 | 175.5° | 60.0° |
| O1 | C34 | C36 | H51 | 55.5° | 180.0° |
| C34 | O1 | C37 | H52 | 180.0° | 60.0° |
| C34 | O1 | C37 | H53 | 60.0° | 60.0° |
| C34 | O1 | C37 | H54 | 60.0° | 180.0° |
| O1 | C37 | H52 | H53 | 120.0° | 120.0° |
| O1 | C37 | H52 | H54 | 120.0° | 120.1° |
| O1 | C37 | H53 | H54 | 120.0° | 120.1° |
| H1 | C4 | C5 | H3 | 179.8° | 59.9° |
| H1 | C4 | C5 | H4 | 61.0° | 180.0° |
| H1 | C4 | C3 | H23 | 118.8° | 172.7° |
| H2 | C4 | C5 | H3 | 60.8° | 179.9° |
| H2 | C4 | C5 | H4 | 179.9° | 60.0° |
| H2 | C4 | C3 | H23 | 122.3° | 67.3° |
| H6 | C7 | C8 | H7 | 172.9° | 179.9° |
| H7 | C8 | C9 | H24 | 173.2° | 179.9° |
| H9 | C13 | C12 | H27 | 178.0° | 180.0° |
| H10 | C15 | C16 | H28 | 170.9° | 180.0° |
| H11 | C17 | C16 | H28 | 163.8° | 180.0° |
| H11 | C17 | C18 | H29 | 154.3° | 179.9° |
| H13 | C20 | H14 | H15 | 119.9° | 119.9° |
| H16 | C21 | C22 | H17 | 172.0° | 180.0° |
| H17 | C22 | C23 | H32 | 179.6° | 179.9° |
| H18 | C26 | C27 | H37 | 170.8° | 180.0° |
| H19 | C28 | C27 | H37 | 175.3° | 179.9° |
| H20 | C1 | H21 | H22 | 120.0° | 120.0° |
| H26 | C11 | C12 | H27 | 172.2° | 180.0° |
| H34 | C25 | H35 | H36 | 120.0° | 119.9° |
| H39 | C30 | H40 | H41 | 120.0° | 120.0° |
| H42 | C31 | C32 | H43 | 177.1° | 180.0° |
| H43 | C32 | C33 | H44 | 66.6° | 65.0° |
| H43 | C32 | C33 | H45 | 175.3° | 175.0° |
| H46 | C35 | H47 | H48 | 120.0° | 120.0° |
| H49 | C36 | H50 | H51 | 120.0° | 119.9° |
| H52 | C37 | H53 | H54 | 120.0° | 120.0° |
| H55 | C38 | H56 | H57 | 120.0° | 120.0° |
| H58 | C39 | H59 | H60 | 120.0° | 119.9° |
| H61 | C40 | H62 | H63 | 120.0° | 120.0° |
| H64 | C41 | H65 | H66 | 120.0° | 120.0° |
