A1ELD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O46 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.50Å | 1.50Å | |
| C7 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | C43 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | doub | 1.32Å | 1.35Å | |
| C2 | C3 | sing | 1.50Å | 1.52Å | |
| C2 | C45 | sing | 1.53Å | 1.52Å | |
| C2 | C44 | sing | 1.53Å | 1.53Å | |
| C3 | C8 | sing | 1.42Å | 1.45Å | |
| C8 | C9 | doub | 1.36Å | 1.37Å | |
| C9 | C10 | sing | 1.40Å | 1.40Å | |
| C10 | C11 | sing | 1.51Å | 1.48Å | |
| C10 | C13 | doub | 1.38Å | 1.41Å | |
| C13 | C14 | sing | 1.40Å | 1.39Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | |
| C15 | C16 | sing | 1.40Å | 1.41Å | |
| C16 | C17 | sing | 1.51Å | 1.48Å | |
| C16 | C18 | doub | 1.38Å | 1.41Å | |
| C18 | C19 | sing | 1.40Å | 1.38Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | |
| C20 | C21 | sing | 1.39Å | 1.38Å | |
| C23 | C22 | sing | 1.51Å | 1.48Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | |
| C22 | C24 | sing | 1.39Å | 1.41Å | |
| C24 | C25 | doub | 1.39Å | 1.39Å | |
| C25 | C26 | sing | 1.39Å | 1.41Å | |
| C26 | C27 | doub | 1.40Å | 1.40Å | |
| C12 | C27 | sing | 1.41Å | 1.42Å | |
| C12 | O13 | doub | 1.21Å | 1.21Å | |
| C27 | C29 | sing | 1.46Å | 1.40Å | |
| C29 | C30 | doub | 1.36Å | 1.41Å | |
| C30 | C31 | sing | 1.41Å | 1.38Å | |
| C31 | C32 | doub | 1.36Å | 1.41Å | |
| C33 | C32 | sing | 1.51Å | 1.48Å | |
| C32 | C34 | sing | 1.46Å | 1.41Å | |
| C34 | C35 | doub | 1.34Å | 1.33Å | |
| C35 | C36 | sing | 1.51Å | 1.50Å | |
| C38 | C37 | sing | 1.53Å | 1.52Å | |
| C41 | O42 | sing | 1.43Å | 1.42Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C37 | O42 | sing | 1.43Å | 1.44Å | |
| C37 | C39 | sing | 1.53Å | 1.52Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.08Å | 1.08Å | |
| C25 | H30 | sing | 1.08Å | 1.08Å | |
| C26 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å | |
| C30 | H34 | sing | 1.08Å | 1.08Å | |
| C31 | H35 | sing | 1.08Å | 1.08Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.08Å | 1.08Å | |
| C35 | H41 | sing | 1.08Å | 1.08Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C36 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H44 | sing | 1.09Å | 1.10Å | |
| C38 | H45 | sing | 1.09Å | 1.10Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C39 | H47 | sing | 1.09Å | 1.10Å | |
| C39 | H48 | sing | 1.09Å | 1.10Å | |
| C39 | H49 | sing | 1.09Å | 1.10Å | |
| C41 | H50 | sing | 1.09Å | 1.10Å | |
| C41 | H51 | sing | 1.09Å | 1.10Å | |
| C41 | H52 | sing | 1.09Å | 1.10Å | |
| C43 | H53 | sing | 1.09Å | 1.10Å | |
| C43 | H54 | sing | 1.09Å | 1.10Å | |
| C43 | H55 | sing | 1.09Å | 1.10Å | |
| C44 | H56 | sing | 1.09Å | 1.10Å | |
| C44 | H57 | sing | 1.09Å | 1.10Å | |
| C44 | H58 | sing | 1.09Å | 1.10Å | |
| C45 | H59 | sing | 1.09Å | 1.10Å | |
| C45 | H60 | sing | 1.09Å | 1.10Å | |
| C45 | H61 | sing | 1.09Å | 1.10Å | |
| O46 | H62 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O46 | C6 | C5 | 110.0° | 109.6° |
| O46 | C6 | C7 | 110.0° | 109.6° |
| O46 | C6 | H5 | 110.1° | 109.8° |
| C6 | O46 | H62 | 109.5° | 114.0° |
| C5 | C6 | C7 | 109.0° | 108.5° |
| C6 | C5 | C4 | 110.9° | 110.1° |
| C6 | C5 | H3 | 109.1° | 109.3° |
| C6 | C5 | H4 | 109.1° | 109.3° |
| C5 | C6 | H5 | 108.8° | 109.6° |
| C6 | C7 | C2 | 113.2° | 108.5° |
| C7 | C6 | H5 | 108.8° | 109.6° |
| C6 | C7 | H6 | 108.6° | 109.6° |
| C6 | C7 | H7 | 108.5° | 109.6° |
| C5 | C4 | C43 | 113.6° | 118.2° |
| C5 | C4 | C3 | 121.7° | 123.7° |
| C4 | C5 | H3 | 109.1° | 109.3° |
| C4 | C5 | H4 | 109.1° | 109.4° |
| C7 | C2 | C3 | 112.3° | 110.1° |
| C7 | C2 | C45 | 108.4° | 109.3° |
| C7 | C2 | C44 | 108.9° | 109.2° |
| C2 | C7 | H6 | 108.5° | 109.6° |
| C2 | C7 | H7 | 108.5° | 109.7° |
| C43 | C4 | C3 | 124.7° | 118.1° |
| C4 | C43 | H53 | 109.5° | 109.5° |
| C4 | C43 | H54 | 109.5° | 109.5° |
| C4 | C43 | H55 | 109.5° | 109.5° |
| C4 | C3 | C2 | 122.0° | 123.7° |
| C4 | C3 | C8 | 121.2° | 118.2° |
| C3 | C2 | C45 | 110.3° | 109.4° |
| C3 | C2 | C44 | 110.2° | 109.4° |
| C2 | C3 | C8 | 116.7° | 118.2° |
| C45 | C2 | C44 | 106.6° | 109.4° |
| C2 | C45 | H59 | 109.5° | 109.5° |
| C2 | C45 | H60 | 109.5° | 109.5° |
| C2 | C45 | H61 | 109.4° | 109.4° |
| C2 | C44 | H56 | 109.5° | 109.5° |
| C2 | C44 | H57 | 109.5° | 109.5° |
| C2 | C44 | H58 | 109.5° | 109.5° |
| C3 | C8 | C9 | 126.9° | 120.0° |
| C3 | C8 | H8 | 116.5° | 120.0° |
| C8 | C9 | C10 | 129.5° | 120.0° |
| C9 | C8 | H8 | 116.6° | 120.0° |
| C8 | C9 | H9 | 115.2° | 120.0° |
| C9 | C10 | C11 | 118.8° | 120.0° |
| C9 | C10 | C13 | 124.2° | 120.0° |
| C10 | C9 | H9 | 115.2° | 120.0° |
| C11 | C10 | C13 | 117.0° | 119.9° |
| C10 | C11 | H10 | 109.5° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H12 | 109.4° | 109.5° |
| C10 | C13 | C14 | 128.4° | 120.1° |
| C10 | C13 | H14 | 115.8° | 120.0° |
| C13 | C14 | C15 | 128.6° | 120.0° |
| C14 | C13 | H14 | 115.8° | 120.0° |
| C13 | C14 | H15 | 115.7° | 119.9° |
| C14 | C15 | C16 | 129.1° | 120.0° |
| C15 | C14 | H15 | 115.7° | 120.0° |
| C14 | C15 | H16 | 115.5° | 120.0° |
| C15 | C16 | C17 | 118.4° | 120.0° |
| C15 | C16 | C18 | 123.2° | 120.1° |
| C16 | C15 | H16 | 115.4° | 119.9° |
| C17 | C16 | C18 | 118.4° | 120.0° |
| C16 | C17 | H18 | 109.5° | 109.5° |
| C16 | C17 | H19 | 109.5° | 109.5° |
| C16 | C17 | H20 | 109.4° | 109.5° |
| C16 | C18 | C19 | 129.5° | 120.0° |
| C16 | C18 | H21 | 115.2° | 119.9° |
| C18 | C19 | C20 | 129.3° | 120.0° |
| C19 | C18 | H21 | 115.3° | 120.0° |
| C18 | C19 | H22 | 115.3° | 120.0° |
| C19 | C20 | C21 | 133.1° | 120.0° |
| C20 | C19 | H22 | 115.4° | 120.0° |
| C19 | C20 | H23 | 113.5° | 120.0° |
| C20 | C21 | C22 | 128.5° | 119.9° |
| C21 | C20 | H23 | 113.5° | 120.0° |
| C20 | C21 | H24 | 115.7° | 120.0° |
| C23 | C22 | C21 | 118.3° | 120.1° |
| C23 | C22 | C24 | 118.3° | 120.0° |
| C22 | C23 | H26 | 109.5° | 109.5° |
| C22 | C23 | H27 | 109.5° | 109.5° |
| C22 | C23 | H28 | 109.5° | 109.5° |
| C21 | C22 | C24 | 123.4° | 120.0° |
| C22 | C21 | H24 | 115.7° | 120.1° |
| C22 | C24 | C25 | 129.3° | 120.0° |
| C22 | C24 | H29 | 115.3° | 119.9° |
| C24 | C25 | C26 | 125.5° | 120.0° |
| C25 | C24 | H29 | 115.3° | 120.1° |
| C24 | C25 | H30 | 117.3° | 120.1° |
| C25 | C26 | C27 | 138.1° | 120.0° |
| C26 | C25 | H30 | 117.3° | 120.0° |
| C25 | C26 | H31 | 110.9° | 120.0° |
| C26 | C27 | C12 | 115.8° | 120.1° |
| C26 | C27 | C29 | 123.8° | 120.0° |
| C27 | C26 | H31 | 111.0° | 120.1° |
| C27 | C12 | O13 | 125.8° | 120.0° |
| C12 | C27 | C29 | 120.5° | 120.0° |
| C27 | C12 | H13 | 117.1° | 119.9° |
| O13 | C12 | H13 | 117.1° | 120.0° |
| C27 | C29 | C30 | 142.7° | 120.0° |
| C27 | C29 | H32 | 108.7° | 120.0° |
| C29 | C30 | C31 | 133.0° | 120.0° |
| C30 | C29 | H32 | 108.6° | 120.0° |
| C29 | C30 | H34 | 113.5° | 120.0° |
| C30 | C31 | C32 | 128.1° | 120.0° |
| C31 | C30 | H34 | 113.5° | 120.0° |
| C30 | C31 | H35 | 116.0° | 120.0° |
| C31 | C32 | C33 | 118.1° | 120.0° |
| C31 | C32 | C34 | 123.8° | 120.0° |
| C32 | C31 | H35 | 115.9° | 120.1° |
| C33 | C32 | C34 | 118.1° | 120.0° |
| C32 | C33 | H37 | 109.5° | 109.5° |
| C32 | C33 | H38 | 109.5° | 109.4° |
| C32 | C33 | H39 | 109.5° | 109.4° |
| C32 | C34 | C35 | 125.9° | 120.0° |
| C32 | C34 | H40 | 117.0° | 120.0° |
| C34 | C35 | C36 | 125.9° | 120.0° |
| C35 | C34 | H40 | 117.0° | 120.0° |
| C34 | C35 | H41 | 117.0° | 120.0° |
| C35 | C36 | C37 | 117.5° | 109.5° |
| C36 | C35 | H41 | 117.1° | 120.0° |
| C35 | C36 | H42 | 107.4° | 109.4° |
| C35 | C36 | H43 | 107.4° | 109.5° |
| C38 | C37 | C36 | 109.9° | 109.5° |
| C38 | C37 | O42 | 107.1° | 109.5° |
| C38 | C37 | C39 | 111.1° | 109.5° |
| C37 | C38 | H44 | 109.5° | 109.5° |
| C37 | C38 | H45 | 109.5° | 109.4° |
| C37 | C38 | H46 | 109.5° | 109.5° |
| C41 | O42 | C37 | 120.1° | 114.0° |
| O42 | C41 | H50 | 109.5° | 109.5° |
| O42 | C41 | H51 | 109.5° | 109.5° |
| O42 | C41 | H52 | 109.5° | 109.5° |
| C36 | C37 | O42 | 113.0° | 109.5° |
| C36 | C37 | C39 | 109.6° | 109.5° |
| C37 | C36 | H42 | 107.4° | 109.5° |
| C37 | C36 | H43 | 107.4° | 109.5° |
| O42 | C37 | C39 | 106.1° | 109.5° |
| C37 | C39 | H47 | 109.5° | 109.5° |
| C37 | C39 | H48 | 109.4° | 109.5° |
| C37 | C39 | H49 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.4° | 109.4° |
| H6 | C7 | H7 | 109.5° | 109.8° |
| H10 | C11 | H11 | 109.5° | 109.4° |
| H10 | C11 | H12 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.4° |
| H18 | C17 | H20 | 109.4° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H26 | C23 | H27 | 109.5° | 109.5° |
| H26 | C23 | H28 | 109.4° | 109.4° |
| H27 | C23 | H28 | 109.5° | 109.5° |
| H37 | C33 | H38 | 109.4° | 109.5° |
| H37 | C33 | H39 | 109.4° | 109.5° |
| H38 | C33 | H39 | 109.5° | 109.5° |
| H42 | C36 | H43 | 109.5° | 109.4° |
| H44 | C38 | H45 | 109.5° | 109.5° |
| H44 | C38 | H46 | 109.5° | 109.5° |
| H45 | C38 | H46 | 109.5° | 109.4° |
| H47 | C39 | H48 | 109.5° | 109.5° |
| H47 | C39 | H49 | 109.5° | 109.5° |
| H48 | C39 | H49 | 109.5° | 109.4° |
| H50 | C41 | H51 | 109.4° | 109.5° |
| H50 | C41 | H52 | 109.5° | 109.4° |
| H51 | C41 | H52 | 109.5° | 109.5° |
| H53 | C43 | H54 | 109.5° | 109.4° |
| H53 | C43 | H55 | 109.4° | 109.5° |
| H54 | C43 | H55 | 109.5° | 109.4° |
| H56 | C44 | H57 | 109.4° | 109.4° |
| H56 | C44 | H58 | 109.5° | 109.5° |
| H57 | C44 | H58 | 109.4° | 109.5° |
| H59 | C45 | H60 | 109.5° | 109.5° |
| H59 | C45 | H61 | 109.5° | 109.5° |
| H60 | C45 | H61 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O46 | C6 | C5 | C7 | 120.7° | 119.7° |
| O46 | C6 | C5 | H5 | 120.7° | 120.6° |
| O46 | C6 | C7 | H5 | 120.7° | 120.6° |
| O46 | C6 | C5 | C4 | 175.7° | 169.6° |
| O46 | C6 | C7 | C2 | 179.6° | 172.1° |
| O46 | C6 | C5 | H3 | 55.5° | 70.3° |
| O46 | C6 | C5 | H4 | 64.1° | 49.4° |
| O46 | C6 | C7 | H6 | 59.0° | 68.3° |
| O46 | C6 | C7 | H7 | 59.9° | 52.3° |
| C5 | C6 | C7 | H5 | 118.6° | 119.7° |
| C6 | C5 | C4 | H3 | 120.2° | 120.1° |
| C6 | C5 | C4 | H4 | 120.2° | 120.2° |
| C5 | C6 | C7 | C2 | 59.7° | 68.3° |
| C6 | C5 | C4 | C43 | 144.5° | 162.8° |
| C6 | C5 | C4 | C3 | 35.0° | 17.3° |
| C6 | C5 | H3 | H4 | 119.3° | 119.6° |
| C5 | C6 | C7 | H6 | 179.8° | 51.4° |
| C5 | C6 | C7 | H7 | 60.9° | 172.0° |
| C5 | C6 | O46 | H62 | 180.0° | 60.0° |
| C7 | C6 | C5 | C4 | 55.0° | 49.9° |
| C6 | C7 | C2 | H6 | 120.6° | 119.7° |
| C6 | C7 | C2 | H7 | 120.6° | 119.7° |
| C6 | C7 | C2 | C3 | 39.7° | 49.9° |
| C6 | C7 | C2 | C45 | 82.4° | 70.3° |
| C6 | C7 | C2 | C44 | 162.0° | 170.0° |
| C7 | C6 | C5 | H3 | 65.3° | 170.0° |
| C7 | C6 | C5 | H4 | 175.2° | 70.3° |
| C6 | C7 | H6 | H7 | 118.3° | 120.5° |
| C7 | C6 | O46 | H62 | 59.9° | 179.0° |
| C5 | C4 | C43 | C3 | 179.5° | 179.9° |
| C5 | C4 | C3 | C2 | 16.1° | 0.6° |
| C5 | C4 | C3 | C8 | 167.8° | 179.6° |
| C4 | C5 | H3 | H4 | 119.3° | 119.8° |
| C4 | C5 | C6 | H5 | 63.6° | 69.8° |
| C5 | C4 | C43 | H53 | 180.0° | 89.4° |
| C5 | C4 | C43 | H54 | 60.0° | 30.5° |
| C5 | C4 | C43 | H55 | 60.0° | 150.5° |
| C7 | C2 | C3 | C4 | 17.6° | 17.3° |
| C7 | C2 | C3 | C45 | 121.1° | 120.2° |
| C7 | C2 | C3 | C44 | 121.5° | 120.1° |
| C7 | C2 | C45 | C44 | 117.0° | 119.6° |
| C7 | C2 | C3 | C8 | 166.1° | 162.9° |
| C2 | C7 | C6 | H5 | 58.9° | 51.5° |
| C2 | C7 | H6 | H7 | 118.3° | 120.5° |
| C7 | C2 | C44 | H56 | 180.0° | 176.3° |
| C7 | C2 | C44 | H57 | 60.0° | 63.7° |
| C7 | C2 | C44 | H58 | 60.0° | 56.3° |
| C7 | C2 | C45 | H59 | 180.0° | 60.7° |
| C7 | C2 | C45 | H60 | 60.0° | 59.4° |
| C7 | C2 | C45 | H61 | 60.0° | 179.3° |
| C43 | C4 | C3 | C2 | 163.3° | 179.6° |
| C43 | C4 | C3 | C8 | 12.8° | 0.3° |
| C43 | C4 | C5 | H3 | 95.2° | 42.7° |
| C43 | C4 | C5 | H4 | 24.3° | 77.0° |
| C4 | C43 | H53 | H54 | 120.0° | 120.0° |
| C4 | C43 | H53 | H55 | 120.0° | 120.1° |
| C4 | C43 | H54 | H55 | 120.0° | 120.0° |
| C4 | C3 | C2 | C8 | 176.2° | 179.9° |
| C4 | C3 | C2 | C45 | 103.4° | 102.9° |
| C4 | C3 | C2 | C44 | 139.2° | 137.3° |
| C4 | C3 | C8 | C9 | 54.5° | 56.5° |
| C3 | C4 | C5 | H3 | 85.2° | 137.4° |
| C3 | C4 | C5 | H4 | 155.2° | 102.8° |
| C4 | C3 | C8 | H8 | 125.5° | 123.6° |
| C3 | C4 | C43 | H53 | 0.5° | 90.5° |
| C3 | C4 | C43 | H54 | 120.5° | 149.6° |
| C3 | C4 | C43 | H55 | 119.5° | 29.6° |
| C3 | C2 | C45 | C44 | 119.6° | 119.8° |
| C2 | C3 | C8 | C9 | 129.2° | 123.6° |
| C3 | C2 | C7 | H6 | 160.3° | 69.8° |
| C3 | C2 | C7 | H7 | 80.9° | 169.6° |
| C2 | C3 | C8 | H8 | 50.8° | 56.3° |
| C3 | C2 | C44 | H56 | 56.4° | 55.7° |
| C3 | C2 | C44 | H57 | 176.4° | 175.7° |
| C3 | C2 | C44 | H58 | 63.6° | 64.3° |
| C3 | C2 | C45 | H59 | 56.6° | 59.9° |
| C3 | C2 | C45 | H60 | 63.4° | 180.0° |
| C3 | C2 | C45 | H61 | 176.6° | 60.1° |
| C45 | C2 | C3 | C8 | 72.8° | 77.0° |
| C45 | C2 | C7 | H6 | 38.1° | 170.0° |
| C45 | C2 | C7 | H7 | 157.0° | 49.4° |
| C45 | C2 | C44 | H56 | 63.2° | 64.1° |
| C45 | C2 | C44 | H57 | 56.8° | 55.9° |
| C45 | C2 | C44 | H58 | 176.7° | 175.9° |
| C2 | C45 | H59 | H60 | 120.0° | 120.0° |
| C2 | C45 | H59 | H61 | 120.0° | 119.9° |
| C2 | C45 | H60 | H61 | 120.0° | 119.9° |
| C44 | C2 | C3 | C8 | 44.6° | 42.8° |
| C44 | C2 | C7 | H6 | 77.4° | 50.4° |
| C44 | C2 | C7 | H7 | 41.4° | 70.3° |
| C2 | C44 | H56 | H57 | 120.0° | 120.0° |
| C2 | C44 | H56 | H58 | 120.0° | 120.0° |
| C2 | C44 | H57 | H58 | 120.0° | 120.0° |
| C44 | C2 | C45 | H59 | 63.0° | 179.7° |
| C44 | C2 | C45 | H60 | 177.0° | 60.2° |
| C44 | C2 | C45 | H61 | 57.0° | 59.7° |
| C3 | C8 | C9 | H8 | 180.0° | 179.9° |
| C3 | C8 | C9 | C10 | 171.9° | 174.6° |
| C3 | C8 | C9 | H9 | 8.1° | 5.4° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 169.0° | 0.0° |
| C8 | C9 | C10 | C13 | 12.7° | 180.0° |
| C9 | C10 | C11 | C13 | 178.3° | 180.0° |
| C9 | C10 | C13 | C14 | 174.2° | 180.0° |
| C10 | C9 | C8 | H8 | 8.1° | 5.5° |
| C9 | C10 | C11 | H10 | 180.0° | 90.0° |
| C9 | C10 | C11 | H11 | 60.0° | 150.0° |
| C9 | C10 | C11 | H12 | 60.0° | 30.0° |
| C9 | C10 | C13 | H14 | 5.9° | 0.1° |
| C11 | C10 | C13 | C14 | 7.6° | 0.0° |
| C11 | C10 | C9 | H9 | 10.9° | 180.0° |
| C10 | C11 | H10 | H11 | 120.0° | 120.0° |
| C10 | C11 | H10 | H12 | 120.0° | 120.0° |
| C10 | C11 | H11 | H12 | 120.0° | 120.0° |
| C11 | C10 | C13 | H14 | 172.4° | 180.0° |
| C10 | C13 | C14 | H14 | 180.0° | 179.9° |
| C10 | C13 | C14 | C15 | 169.6° | 180.0° |
| C13 | C10 | C9 | H9 | 167.3° | 0.0° |
| C13 | C10 | C11 | H10 | 1.7° | 90.0° |
| C13 | C10 | C11 | H11 | 121.7° | 29.9° |
| C13 | C10 | C11 | H12 | 118.3° | 150.0° |
| C10 | C13 | C14 | H15 | 10.4° | 0.0° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 173.9° | 180.0° |
| C13 | C14 | C15 | H16 | 6.1° | 0.0° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 10.0° | 0.0° |
| C14 | C15 | C16 | C18 | 169.0° | 180.0° |
| C15 | C14 | C13 | H14 | 10.4° | 0.0° |
| C15 | C16 | C17 | C18 | 179.0° | 180.0° |
| C15 | C16 | C18 | C19 | 177.8° | 180.0° |
| C16 | C15 | C14 | H15 | 6.1° | 0.0° |
| C15 | C16 | C17 | H18 | 180.0° | 90.0° |
| C15 | C16 | C17 | H19 | 60.0° | 150.0° |
| C15 | C16 | C17 | H20 | 60.0° | 30.0° |
| C15 | C16 | C18 | H21 | 2.2° | 0.0° |
| C17 | C16 | C18 | C19 | 1.2° | 0.0° |
| C17 | C16 | C15 | H16 | 170.0° | 180.0° |
| C16 | C17 | H18 | H19 | 120.0° | 120.0° |
| C16 | C17 | H18 | H20 | 120.0° | 120.0° |
| C16 | C17 | H19 | H20 | 120.0° | 120.0° |
| C17 | C16 | C18 | H21 | 178.8° | 180.0° |
| C16 | C18 | C19 | H21 | 180.0° | 180.0° |
| C16 | C18 | C19 | C20 | 170.7° | 180.0° |
| C18 | C16 | C15 | H16 | 11.0° | 0.0° |
| C18 | C16 | C17 | H18 | 1.0° | 90.0° |
| C18 | C16 | C17 | H19 | 121.0° | 30.0° |
| C18 | C16 | C17 | H20 | 119.0° | 150.0° |
| C16 | C18 | C19 | H22 | 9.3° | 0.0° |
| C18 | C19 | C20 | H22 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 177.6° | 180.0° |
| C18 | C19 | C20 | H23 | 2.4° | 0.0° |
| C19 | C20 | C21 | H23 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 171.4° | 180.0° |
| C20 | C19 | C18 | H21 | 9.3° | 0.0° |
| C19 | C20 | C21 | H24 | 8.6° | 0.0° |
| C20 | C21 | C22 | C23 | 2.8° | 0.0° |
| C20 | C21 | C22 | H24 | 180.0° | 180.0° |
| C20 | C21 | C22 | C24 | 176.7° | 180.0° |
| C21 | C20 | C19 | H22 | 2.4° | 0.0° |
| C23 | C22 | C21 | C24 | 179.5° | 180.0° |
| C23 | C22 | C24 | C25 | 8.6° | 0.1° |
| C23 | C22 | C21 | H24 | 177.2° | 180.0° |
| C22 | C23 | H26 | H27 | 120.0° | 120.0° |
| C22 | C23 | H26 | H28 | 120.0° | 120.0° |
| C22 | C23 | H27 | H28 | 120.0° | 120.0° |
| C23 | C22 | C24 | H29 | 171.4° | 180.0° |
| C21 | C22 | C24 | C25 | 170.9° | 180.0° |
| C22 | C21 | C20 | H23 | 8.6° | 0.0° |
| C21 | C22 | C23 | H26 | 180.0° | 90.0° |
| C21 | C22 | C23 | H27 | 60.0° | 150.0° |
| C21 | C22 | C23 | H28 | 60.0° | 29.9° |
| C21 | C22 | C24 | H29 | 9.1° | 0.1° |
| C22 | C24 | C25 | H29 | 180.0° | 179.9° |
| C22 | C24 | C25 | C26 | 175.9° | 180.0° |
| C24 | C22 | C21 | H24 | 3.3° | 0.0° |
| C24 | C22 | C23 | H26 | 0.4° | 90.0° |
| C24 | C22 | C23 | H27 | 119.6° | 30.0° |
| C24 | C22 | C23 | H28 | 120.4° | 150.0° |
| C22 | C24 | C25 | H30 | 4.1° | 0.0° |
| C24 | C25 | C26 | H30 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 171.2° | 180.0° |
| C24 | C25 | C26 | H31 | 8.8° | 0.0° |
| C25 | C26 | C27 | H31 | 180.0° | 180.0° |
| C25 | C26 | C27 | C12 | 1.3° | 0.0° |
| C25 | C26 | C27 | C29 | 179.5° | 180.0° |
| C26 | C25 | C24 | H29 | 4.1° | 0.0° |
| C26 | C27 | C12 | C29 | 179.2° | 180.0° |
| C26 | C27 | C12 | O13 | 176.7° | 174.8° |
| C26 | C27 | C29 | C30 | 167.3° | 55.2° |
| C26 | C27 | C12 | H13 | 3.3° | 5.2° |
| C27 | C26 | C25 | H30 | 8.8° | 0.0° |
| C26 | C27 | C29 | H32 | 12.7° | 124.7° |
| C27 | C12 | O13 | H13 | 180.0° | 180.0° |
| C12 | C27 | C29 | C30 | 13.5° | 124.8° |
| C12 | C27 | C26 | H31 | 178.7° | 180.0° |
| C12 | C27 | C29 | H32 | 166.5° | 55.3° |
| O13 | C12 | C27 | C29 | 2.6° | 5.1° |
| C27 | C29 | C30 | H32 | 180.0° | 179.9° |
| C27 | C29 | C30 | C31 | 7.5° | 6.1° |
| C29 | C27 | C12 | H13 | 177.5° | 174.8° |
| C29 | C27 | C26 | H31 | 0.6° | 0.0° |
| C27 | C29 | C30 | H34 | 172.5° | 173.9° |
| C29 | C30 | C31 | H34 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 178.1° | 178.0° |
| C29 | C30 | C31 | H35 | 2.0° | 2.0° |
| C30 | C31 | C32 | H35 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 178.5° | 180.0° |
| C30 | C31 | C32 | C34 | 2.3° | 0.0° |
| C31 | C30 | C29 | H32 | 172.5° | 173.9° |
| C31 | C32 | C33 | C34 | 179.2° | 179.9° |
| C31 | C32 | C34 | C35 | 174.8° | 180.0° |
| C32 | C31 | C30 | H34 | 1.9° | 1.9° |
| C31 | C32 | C33 | H37 | 180.0° | 90.0° |
| C31 | C32 | C33 | H38 | 60.0° | 150.0° |
| C31 | C32 | C33 | H39 | 60.0° | 30.1° |
| C31 | C32 | C34 | H40 | 5.2° | 0.0° |
| C33 | C32 | C34 | C35 | 6.1° | 0.0° |
| C33 | C32 | C31 | H35 | 1.5° | 0.1° |
| C32 | C33 | H37 | H38 | 120.0° | 120.0° |
| C32 | C33 | H37 | H39 | 120.0° | 120.0° |
| C32 | C33 | H38 | H39 | 120.0° | 119.9° |
| C33 | C32 | C34 | H40 | 173.9° | 180.0° |
| C32 | C34 | C35 | H40 | 180.0° | 180.0° |
| C32 | C34 | C35 | C36 | 164.0° | 179.9° |
| C34 | C32 | C31 | H35 | 177.6° | 180.0° |
| C34 | C32 | C33 | H37 | 0.9° | 89.9° |
| C34 | C32 | C33 | H38 | 120.8° | 30.1° |
| C34 | C32 | C33 | H39 | 119.2° | 150.0° |
| C32 | C34 | C35 | H41 | 16.0° | 0.0° |
| C34 | C35 | C36 | H41 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 118.0° | 125.0° |
| C34 | C35 | C36 | H42 | 120.8° | 115.0° |
| C34 | C35 | C36 | H43 | 3.1° | 4.9° |
| C35 | C36 | C37 | C38 | 53.4° | 175.0° |
| C35 | C36 | C37 | H42 | 121.2° | 120.0° |
| C35 | C36 | C37 | H43 | 121.1° | 120.1° |
| C35 | C36 | C37 | O42 | 66.1° | 65.0° |
| C35 | C36 | C37 | C39 | 175.8° | 55.0° |
| C36 | C35 | C34 | H40 | 16.0° | 0.1° |
| C35 | C36 | H42 | H43 | 116.4° | 120.0° |
| C38 | C37 | O42 | C41 | 32.0° | 60.0° |
| C38 | C37 | C36 | O42 | 119.5° | 120.0° |
| C38 | C37 | C36 | C39 | 122.4° | 120.0° |
| C38 | C37 | O42 | C39 | 118.8° | 120.0° |
| C38 | C37 | C36 | H42 | 174.6° | 65.0° |
| C38 | C37 | C36 | H43 | 67.7° | 55.0° |
| C37 | C38 | H44 | H45 | 120.0° | 120.0° |
| C37 | C38 | H44 | H46 | 120.0° | 120.0° |
| C37 | C38 | H45 | H46 | 120.0° | 120.0° |
| C38 | C37 | C39 | H47 | 180.0° | 180.0° |
| C38 | C37 | C39 | H48 | 60.0° | 60.0° |
| C38 | C37 | C39 | H49 | 60.0° | 60.0° |
| C41 | O42 | C37 | C36 | 89.1° | 180.0° |
| C41 | O42 | C37 | C39 | 150.8° | 60.0° |
| O42 | C41 | H50 | H51 | 120.0° | 120.1° |
| O42 | C41 | H50 | H52 | 120.0° | 120.0° |
| O42 | C41 | H51 | H52 | 120.0° | 120.0° |
| C36 | C37 | O42 | C39 | 120.1° | 120.0° |
| C37 | C36 | C35 | H41 | 62.0° | 54.9° |
| C37 | C36 | H42 | H43 | 116.4° | 120.0° |
| C36 | C37 | C38 | H44 | 180.0° | 60.0° |
| C36 | C37 | C38 | H45 | 60.0° | 180.0° |
| C36 | C37 | C38 | H46 | 60.0° | 60.0° |
| C36 | C37 | C39 | H47 | 58.4° | 60.0° |
| C36 | C37 | C39 | H48 | 61.6° | 180.0° |
| C36 | C37 | C39 | H49 | 178.4° | 60.0° |
| O42 | C37 | C36 | H42 | 55.1° | 55.0° |
| O42 | C37 | C36 | H43 | 172.8° | 175.0° |
| O42 | C37 | C38 | H44 | 56.9° | 180.0° |
| O42 | C37 | C38 | H45 | 176.9° | 60.0° |
| O42 | C37 | C38 | H46 | 63.1° | 60.0° |
| O42 | C37 | C39 | H47 | 63.9° | 60.0° |
| O42 | C37 | C39 | H48 | 176.1° | 60.0° |
| O42 | C37 | C39 | H49 | 56.1° | 180.0° |
| C37 | O42 | C41 | H50 | 180.0° | 60.0° |
| C37 | O42 | C41 | H51 | 60.0° | 60.0° |
| C37 | O42 | C41 | H52 | 60.0° | 180.0° |
| C39 | C37 | C36 | H42 | 63.0° | 175.0° |
| C39 | C37 | C36 | H43 | 54.7° | 65.0° |
| C39 | C37 | C38 | H44 | 58.6° | 60.0° |
| C39 | C37 | C38 | H45 | 61.4° | 60.0° |
| C39 | C37 | C38 | H46 | 178.6° | 180.0° |
| C37 | C39 | H47 | H48 | 120.0° | 120.0° |
| C37 | C39 | H47 | H49 | 120.0° | 120.0° |
| C37 | C39 | H48 | H49 | 120.0° | 120.0° |
| H3 | C5 | C6 | H5 | 176.2° | 50.3° |
| H4 | C5 | C6 | H5 | 56.6° | 170.0° |
| H5 | C6 | C7 | H6 | 61.7° | 171.1° |
| H5 | C6 | C7 | H7 | 179.4° | 68.3° |
| H5 | C6 | O46 | H62 | 60.0° | 60.5° |
| H8 | C8 | C9 | H9 | 171.9° | 174.5° |
| H10 | C11 | H11 | H12 | 120.0° | 120.0° |
| H14 | C13 | C14 | H15 | 169.6° | 179.9° |
| H15 | C14 | C15 | H16 | 173.9° | 180.0° |
| H18 | C17 | H19 | H20 | 120.0° | 120.0° |
| H21 | C18 | C19 | H22 | 170.7° | 180.0° |
| H22 | C19 | C20 | H23 | 177.6° | 180.0° |
| H23 | C20 | C21 | H24 | 171.4° | 180.0° |
| H26 | C23 | H27 | H28 | 119.9° | 120.0° |
| H29 | C24 | C25 | H30 | 175.9° | 180.0° |
| H30 | C25 | C26 | H31 | 171.2° | 180.0° |
| H32 | C29 | C30 | H34 | 7.5° | 6.0° |
| H34 | C30 | C31 | H35 | 178.0° | 178.1° |
| H37 | C33 | H38 | H39 | 120.0° | 120.0° |
| H40 | C34 | C35 | H41 | 164.0° | 180.0° |
| H41 | C35 | C36 | H42 | 59.1° | 65.0° |
| H41 | C35 | C36 | H43 | 176.8° | 175.0° |
| H44 | C38 | H45 | H46 | 120.0° | 120.0° |
| H47 | C39 | H48 | H49 | 120.0° | 120.0° |
| H50 | C41 | H51 | H52 | 120.0° | 119.9° |
| H53 | C43 | H54 | H55 | 120.0° | 120.0° |
| H56 | C44 | H57 | H58 | 120.0° | 120.0° |
| H59 | C45 | H60 | H61 | 120.0° | 120.1° |
