A1LXP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O41 | C31 | sing | 1.43Å | 1.43Å | |
| C31 | C32 | sing | 1.50Å | 1.49Å | |
| C31 | C30 | sing | 1.53Å | 1.49Å | |
| C32 | C33 | doub | 1.29Å | 1.33Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C33 | C34 | sing | 1.51Å | 1.50Å | |
| C33 | C19 | sing | 1.50Å | 1.50Å | |
| C19 | C29 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.51Å | 1.50Å | |
| C29 | C39 | sing | 1.53Å | 1.53Å | |
| C29 | C37 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | doub | 1.34Å | 1.32Å | |
| C17 | C16 | sing | 1.42Å | 1.45Å | |
| C16 | C15 | doub | 1.36Å | 1.35Å | |
| C16 | C23 | sing | 1.51Å | 1.50Å | |
| C15 | C14 | sing | 1.41Å | 1.43Å | |
| C14 | C13 | doub | 1.36Å | 1.34Å | |
| C13 | C12 | sing | 1.40Å | 1.45Å | |
| C12 | C11 | doub | 1.38Å | 1.36Å | |
| C12 | C22 | sing | 1.51Å | 1.50Å | |
| C11 | C10 | sing | 1.40Å | 1.43Å | |
| C10 | C9 | doub | 1.38Å | 1.35Å | |
| C9 | C8 | sing | 1.40Å | 1.43Å | |
| C21 | C7 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | doub | 1.38Å | 1.36Å | |
| C7 | C6 | sing | 1.40Å | 1.45Å | |
| C6 | C5 | doub | 1.38Å | 1.34Å | |
| C5 | C4 | sing | 1.40Å | 1.43Å | |
| C20 | C3 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | doub | 1.36Å | 1.35Å | |
| C3 | C2 | sing | 1.41Å | 1.45Å | |
| C2 | C42 | doub | 1.36Å | 1.33Å | |
| C42 | C1 | sing | 1.42Å | 1.45Å | |
| C35 | C28 | sing | 1.51Å | 1.50Å | |
| C1 | C28 | doub | 1.32Å | 1.34Å | |
| C1 | C24 | sing | 1.50Å | 1.53Å | |
| C28 | C27 | sing | 1.50Å | 1.51Å | |
| C38 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C36 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | O40 | sing | 1.43Å | 1.43Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.08Å | 1.08Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C35 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| C37 | H45 | sing | 1.09Å | 1.10Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | H48 | sing | 1.09Å | 1.10Å | |
| C39 | H49 | sing | 1.09Å | 1.10Å | |
| C39 | H50 | sing | 1.09Å | 1.10Å | |
| C39 | H51 | sing | 1.09Å | 1.10Å | |
| C42 | H52 | sing | 1.08Å | 1.08Å | |
| C8 | H53 | sing | 1.08Å | 1.08Å | |
| C9 | H54 | sing | 1.08Å | 1.08Å | |
| O40 | H55 | sing | 0.97Å | 0.95Å | |
| O41 | H56 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O41 | C31 | C32 | 111.2° | 109.4° |
| O41 | C31 | C30 | 108.4° | 109.4° |
| O41 | C31 | H32 | 109.6° | 109.2° |
| C31 | O41 | H56 | 109.5° | 114.0° |
| C32 | C31 | C30 | 110.1° | 110.1° |
| C31 | C32 | C33 | 125.1° | 124.1° |
| C32 | C31 | H32 | 108.8° | 109.4° |
| C31 | C32 | H33 | 117.4° | 118.0° |
| C31 | C30 | C29 | 113.3° | 108.5° |
| C31 | C30 | H23 | 108.5° | 109.6° |
| C31 | C30 | H24 | 108.5° | 109.8° |
| C30 | C31 | H32 | 108.8° | 109.4° |
| C32 | C33 | C34 | 122.2° | 118.0° |
| C32 | C33 | C19 | 122.1° | 124.1° |
| C33 | C32 | H33 | 117.5° | 118.0° |
| C30 | C29 | C19 | 109.6° | 108.4° |
| C30 | C29 | C39 | 109.0° | 109.6° |
| C30 | C29 | C37 | 110.0° | 109.8° |
| C29 | C30 | H23 | 108.5° | 109.7° |
| C29 | C30 | H24 | 108.5° | 109.6° |
| C34 | C33 | C19 | 115.7° | 117.9° |
| C33 | C34 | H34 | 109.5° | 109.5° |
| C33 | C34 | H35 | 109.5° | 109.5° |
| C33 | C34 | H36 | 109.5° | 109.5° |
| C33 | C19 | C29 | 112.7° | 110.1° |
| C33 | C19 | C18 | 111.1° | 109.4° |
| C33 | C19 | H11 | 106.7° | 109.3° |
| C29 | C19 | C18 | 112.6° | 109.4° |
| C19 | C29 | C39 | 110.0° | 109.6° |
| C19 | C29 | C37 | 110.4° | 109.7° |
| C29 | C19 | H11 | 106.5° | 109.3° |
| C19 | C18 | C17 | 124.1° | 120.0° |
| C19 | C18 | H10 | 117.9° | 120.0° |
| C18 | C19 | H11 | 106.8° | 109.4° |
| C39 | C29 | C37 | 107.9° | 109.7° |
| C29 | C39 | H49 | 109.5° | 109.5° |
| C29 | C39 | H50 | 109.4° | 109.4° |
| C29 | C39 | H51 | 109.5° | 109.5° |
| C29 | C37 | H43 | 109.5° | 109.4° |
| C29 | C37 | H44 | 109.5° | 109.5° |
| C29 | C37 | H45 | 109.4° | 109.5° |
| C18 | C17 | C16 | 126.7° | 120.0° |
| C17 | C18 | H10 | 117.9° | 120.0° |
| C18 | C17 | H25 | 116.7° | 120.0° |
| C17 | C16 | C15 | 119.0° | 120.0° |
| C17 | C16 | C23 | 118.0° | 120.0° |
| C16 | C17 | H25 | 116.6° | 119.9° |
| C15 | C16 | C23 | 122.9° | 120.0° |
| C16 | C15 | C14 | 127.8° | 120.0° |
| C16 | C15 | H9 | 116.1° | 120.0° |
| C16 | C23 | H29 | 109.5° | 109.5° |
| C16 | C23 | H30 | 109.5° | 109.5° |
| C16 | C23 | H31 | 109.5° | 109.4° |
| C15 | C14 | C13 | 122.9° | 120.0° |
| C15 | C14 | H8 | 118.6° | 120.0° |
| C14 | C15 | H9 | 116.1° | 120.0° |
| C14 | C13 | C12 | 127.3° | 120.0° |
| C14 | C13 | H7 | 116.3° | 120.0° |
| C13 | C14 | H8 | 118.6° | 120.0° |
| C13 | C12 | C11 | 119.1° | 120.0° |
| C13 | C12 | C22 | 118.0° | 120.0° |
| C12 | C13 | H7 | 116.4° | 120.0° |
| C11 | C12 | C22 | 122.9° | 120.0° |
| C12 | C11 | C10 | 127.7° | 120.0° |
| C12 | C11 | H6 | 116.2° | 120.0° |
| C12 | C22 | H15 | 109.5° | 109.4° |
| C12 | C22 | H16 | 109.5° | 109.5° |
| C12 | C22 | H17 | 109.5° | 109.5° |
| C11 | C10 | C9 | 123.6° | 120.0° |
| C11 | C10 | H5 | 118.2° | 120.0° |
| C10 | C11 | H6 | 116.1° | 120.0° |
| C10 | C9 | C8 | 123.3° | 120.0° |
| C9 | C10 | H5 | 118.2° | 120.0° |
| C10 | C9 | H54 | 118.4° | 120.0° |
| C9 | C8 | C7 | 127.7° | 120.0° |
| C9 | C8 | H53 | 116.1° | 120.0° |
| C8 | C9 | H54 | 118.3° | 120.0° |
| C21 | C7 | C8 | 123.0° | 120.0° |
| C21 | C7 | C6 | 118.0° | 120.0° |
| C7 | C21 | H26 | 109.5° | 109.5° |
| C7 | C21 | H27 | 109.5° | 109.5° |
| C7 | C21 | H28 | 109.5° | 109.4° |
| C8 | C7 | C6 | 118.9° | 120.0° |
| C7 | C8 | H53 | 116.2° | 120.0° |
| C7 | C6 | C5 | 127.2° | 120.0° |
| C7 | C6 | H4 | 116.4° | 120.0° |
| C6 | C5 | C4 | 123.0° | 120.0° |
| C6 | C5 | H3 | 118.5° | 120.0° |
| C5 | C6 | H4 | 116.4° | 120.0° |
| C5 | C4 | C3 | 127.8° | 120.0° |
| C5 | C4 | H2 | 116.1° | 120.0° |
| C4 | C5 | H3 | 118.5° | 120.0° |
| C20 | C3 | C4 | 123.0° | 120.0° |
| C20 | C3 | C2 | 118.0° | 119.9° |
| C3 | C20 | H12 | 109.5° | 109.4° |
| C3 | C20 | H13 | 109.5° | 109.5° |
| C3 | C20 | H14 | 109.5° | 109.5° |
| C4 | C3 | C2 | 119.0° | 120.0° |
| C3 | C4 | H2 | 116.1° | 120.0° |
| C3 | C2 | C42 | 127.0° | 120.0° |
| C3 | C2 | H1 | 116.5° | 120.0° |
| C2 | C42 | C1 | 126.1° | 120.0° |
| C42 | C2 | H1 | 116.5° | 120.0° |
| C2 | C42 | H52 | 116.9° | 120.0° |
| C42 | C1 | C28 | 122.0° | 118.1° |
| C42 | C1 | C24 | 115.0° | 118.1° |
| C1 | C42 | H52 | 116.9° | 120.0° |
| C35 | C28 | C1 | 124.6° | 118.2° |
| C35 | C28 | C27 | 114.6° | 118.1° |
| C28 | C35 | H37 | 109.5° | 109.4° |
| C28 | C35 | H38 | 109.4° | 109.5° |
| C28 | C35 | H39 | 109.5° | 109.4° |
| C28 | C1 | C24 | 123.0° | 123.8° |
| C1 | C28 | C27 | 120.9° | 123.7° |
| C1 | C24 | C38 | 110.2° | 109.4° |
| C1 | C24 | C36 | 110.4° | 109.4° |
| C1 | C24 | C25 | 112.3° | 110.1° |
| C28 | C27 | C26 | 112.3° | 110.1° |
| C28 | C27 | H21 | 108.7° | 109.3° |
| C28 | C27 | H22 | 108.7° | 109.3° |
| C38 | C24 | C36 | 108.7° | 109.4° |
| C38 | C24 | C25 | 108.1° | 109.3° |
| C24 | C38 | H46 | 109.5° | 109.5° |
| C24 | C38 | H47 | 109.5° | 109.5° |
| C24 | C38 | H48 | 109.5° | 109.5° |
| C36 | C24 | C25 | 107.0° | 109.3° |
| C24 | C36 | H40 | 109.5° | 109.5° |
| C24 | C36 | H41 | 109.5° | 109.5° |
| C24 | C36 | H42 | 109.5° | 109.5° |
| C24 | C25 | C26 | 113.3° | 108.6° |
| C24 | C25 | H18 | 108.5° | 109.6° |
| C24 | C25 | H19 | 108.5° | 109.6° |
| C27 | C26 | C25 | 108.1° | 108.5° |
| C27 | C26 | O40 | 110.0° | 109.6° |
| C27 | C26 | H20 | 109.3° | 109.8° |
| C26 | C27 | H21 | 108.8° | 109.4° |
| C26 | C27 | H22 | 108.8° | 109.4° |
| C25 | C26 | O40 | 109.6° | 109.6° |
| C26 | C25 | H18 | 108.5° | 109.6° |
| C26 | C25 | H19 | 108.5° | 109.6° |
| C25 | C26 | H20 | 109.3° | 109.6° |
| O40 | C26 | H20 | 110.5° | 109.6° |
| C26 | O40 | H55 | 109.5° | 114.0° |
| H12 | C20 | H13 | 109.5° | 109.4° |
| H12 | C20 | H14 | 109.4° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.4° |
| H15 | C22 | H17 | 109.5° | 109.5° |
| H16 | C22 | H17 | 109.5° | 109.5° |
| H18 | C25 | H19 | 109.5° | 109.8° |
| H21 | C27 | H22 | 109.5° | 109.3° |
| H23 | C30 | H24 | 109.5° | 109.6° |
| H26 | C21 | H27 | 109.4° | 109.4° |
| H26 | C21 | H28 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.4° | 109.5° |
| H29 | C23 | H31 | 109.5° | 109.4° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H34 | C34 | H35 | 109.5° | 109.5° |
| H34 | C34 | H36 | 109.5° | 109.4° |
| H35 | C34 | H36 | 109.4° | 109.5° |
| H37 | C35 | H38 | 109.5° | 109.5° |
| H37 | C35 | H39 | 109.5° | 109.5° |
| H38 | C35 | H39 | 109.5° | 109.5° |
| H40 | C36 | H41 | 109.5° | 109.5° |
| H40 | C36 | H42 | 109.5° | 109.5° |
| H41 | C36 | H42 | 109.5° | 109.4° |
| H43 | C37 | H44 | 109.5° | 109.5° |
| H43 | C37 | H45 | 109.5° | 109.5° |
| H44 | C37 | H45 | 109.5° | 109.5° |
| H46 | C38 | H47 | 109.4° | 109.5° |
| H46 | C38 | H48 | 109.5° | 109.5° |
| H47 | C38 | H48 | 109.5° | 109.4° |
| H49 | C39 | H50 | 109.5° | 109.5° |
| H49 | C39 | H51 | 109.5° | 109.5° |
| H50 | C39 | H51 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | C31 | C32 | C30 | 120.1° | 120.2° |
| O41 | C31 | C32 | H32 | 120.7° | 119.6° |
| O41 | C31 | C30 | H32 | 119.1° | 119.6° |
| O41 | C31 | C32 | C33 | 142.4° | 137.4° |
| O41 | C31 | C30 | C29 | 169.0° | 169.6° |
| O41 | C31 | C30 | H23 | 48.4° | 70.7° |
| O41 | C31 | C30 | H24 | 70.5° | 49.8° |
| O41 | C31 | C32 | H33 | 37.6° | 42.7° |
| C32 | C31 | C30 | H32 | 119.1° | 120.2° |
| C31 | C32 | C33 | H33 | 180.0° | 179.9° |
| C32 | C31 | C30 | C29 | 47.2° | 49.5° |
| C31 | C32 | C33 | C34 | 172.0° | 179.5° |
| C31 | C32 | C33 | C19 | 8.7° | 0.6° |
| C32 | C31 | C30 | H23 | 73.4° | 169.2° |
| C32 | C31 | C30 | H24 | 167.7° | 70.4° |
| C32 | C31 | O41 | H56 | 180.0° | 60.0° |
| C30 | C31 | C32 | C33 | 22.2° | 17.2° |
| C31 | C30 | C29 | H23 | 120.5° | 119.7° |
| C31 | C30 | C29 | H24 | 120.6° | 119.9° |
| C31 | C30 | C29 | C19 | 59.4° | 67.4° |
| C31 | C30 | C29 | C39 | 179.9° | 172.9° |
| C31 | C30 | C29 | C37 | 62.1° | 52.4° |
| C31 | C30 | H23 | H24 | 118.3° | 120.6° |
| C30 | C31 | C32 | H33 | 157.8° | 162.9° |
| C30 | C31 | O41 | H56 | 58.8° | 179.3° |
| C32 | C33 | C34 | C19 | 179.3° | 179.9° |
| C32 | C33 | C19 | C29 | 19.5° | 17.2° |
| C32 | C33 | C19 | C18 | 146.9° | 137.4° |
| C32 | C33 | C19 | H11 | 97.0° | 102.9° |
| C33 | C32 | C31 | H32 | 96.9° | 103.0° |
| C32 | C33 | C34 | H34 | 180.0° | 0.1° |
| C32 | C33 | C34 | H35 | 60.0° | 120.0° |
| C32 | C33 | C34 | H36 | 60.0° | 120.0° |
| C30 | C29 | C19 | C33 | 42.8° | 49.4° |
| C30 | C29 | C19 | C39 | 119.8° | 119.7° |
| C30 | C29 | C19 | C37 | 121.3° | 119.9° |
| C30 | C29 | C19 | C18 | 169.4° | 169.6° |
| C30 | C29 | C39 | C37 | 119.4° | 120.6° |
| C30 | C29 | C19 | H11 | 73.9° | 70.6° |
| C29 | C30 | H23 | H24 | 118.3° | 120.4° |
| C29 | C30 | C31 | H32 | 72.0° | 70.8° |
| C30 | C29 | C37 | H43 | 180.0° | 179.0° |
| C30 | C29 | C37 | H44 | 60.0° | 61.0° |
| C30 | C29 | C37 | H45 | 60.0° | 59.1° |
| C30 | C29 | C39 | H49 | 180.0° | 58.9° |
| C30 | C29 | C39 | H50 | 60.0° | 61.0° |
| C30 | C29 | C39 | H51 | 60.0° | 179.0° |
| C34 | C33 | C19 | C29 | 161.2° | 162.9° |
| C34 | C33 | C19 | C18 | 33.8° | 42.7° |
| C34 | C33 | C19 | H11 | 82.3° | 77.0° |
| C34 | C33 | C32 | H33 | 8.0° | 0.3° |
| C33 | C34 | H34 | H35 | 120.0° | 120.0° |
| C33 | C34 | H34 | H36 | 120.0° | 120.0° |
| C33 | C34 | H35 | H36 | 120.0° | 120.0° |
| C33 | C19 | C29 | C18 | 126.6° | 120.2° |
| C33 | C19 | C29 | H11 | 116.7° | 120.1° |
| C33 | C19 | C18 | H11 | 116.0° | 119.7° |
| C33 | C19 | C29 | C39 | 162.6° | 169.1° |
| C33 | C19 | C29 | C37 | 78.5° | 70.4° |
| C33 | C19 | C18 | C17 | 124.6° | 119.3° |
| C33 | C19 | C18 | H10 | 55.4° | 60.7° |
| C19 | C33 | C32 | H33 | 171.3° | 179.6° |
| C19 | C33 | C34 | H34 | 0.7° | 180.0° |
| C19 | C33 | C34 | H35 | 120.7° | 59.9° |
| C19 | C33 | C34 | H36 | 119.4° | 60.1° |
| C29 | C19 | C18 | H11 | 116.5° | 119.7° |
| C19 | C29 | C39 | C37 | 120.4° | 120.5° |
| C29 | C19 | C18 | C17 | 107.9° | 120.0° |
| C29 | C19 | C18 | H10 | 72.1° | 60.0° |
| C19 | C29 | C30 | H23 | 61.1° | 172.9° |
| C19 | C29 | C30 | H24 | 180.0° | 52.5° |
| C19 | C29 | C37 | H43 | 59.0° | 60.0° |
| C19 | C29 | C37 | H44 | 178.9° | 180.0° |
| C19 | C29 | C37 | H45 | 61.1° | 60.0° |
| C19 | C29 | C39 | H49 | 59.8° | 60.0° |
| C19 | C29 | C39 | H50 | 60.2° | 180.0° |
| C19 | C29 | C39 | H51 | 179.8° | 60.0° |
| C18 | C19 | C29 | C39 | 70.8° | 70.7° |
| C18 | C19 | C29 | C37 | 48.2° | 49.8° |
| C19 | C18 | C17 | H10 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 177.6° | 180.0° |
| C19 | C18 | C17 | H25 | 2.4° | 0.0° |
| C39 | C29 | C19 | H11 | 45.9° | 49.1° |
| C39 | C29 | C30 | H23 | 59.3° | 53.2° |
| C39 | C29 | C30 | H24 | 59.5° | 67.2° |
| C39 | C29 | C37 | H43 | 61.3° | 60.4° |
| C39 | C29 | C37 | H44 | 58.7° | 59.5° |
| C39 | C29 | C37 | H45 | 178.7° | 179.6° |
| C29 | C39 | H49 | H50 | 120.0° | 120.0° |
| C29 | C39 | H49 | H51 | 120.0° | 120.0° |
| C29 | C39 | H50 | H51 | 120.0° | 120.0° |
| C37 | C29 | C19 | H11 | 164.8° | 169.5° |
| C37 | C29 | C30 | H23 | 177.4° | 67.3° |
| C37 | C29 | C30 | H24 | 58.5° | 172.3° |
| C29 | C37 | H43 | H44 | 120.0° | 120.0° |
| C29 | C37 | H43 | H45 | 120.0° | 120.0° |
| C29 | C37 | H44 | H45 | 119.9° | 120.0° |
| C37 | C29 | C39 | H49 | 60.6° | 179.5° |
| C37 | C29 | C39 | H50 | 179.3° | 59.6° |
| C37 | C29 | C39 | H51 | 59.4° | 60.4° |
| C18 | C17 | C16 | H25 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 179.3° | 180.0° |
| C18 | C17 | C16 | C23 | 0.5° | 0.0° |
| C17 | C18 | C19 | H11 | 8.6° | 0.3° |
| C17 | C16 | C15 | C23 | 178.7° | 180.0° |
| C17 | C16 | C15 | C14 | 177.7° | 180.0° |
| C17 | C16 | C15 | H9 | 2.3° | 0.0° |
| C16 | C17 | C18 | H10 | 2.4° | 0.0° |
| C17 | C16 | C23 | H29 | 180.0° | 90.0° |
| C17 | C16 | C23 | H30 | 60.0° | 30.0° |
| C17 | C16 | C23 | H31 | 60.0° | 150.0° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 177.4° | 180.0° |
| C16 | C15 | C14 | H8 | 2.6° | 0.0° |
| C15 | C16 | C17 | H25 | 0.7° | 0.0° |
| C15 | C16 | C23 | H29 | 1.3° | 90.0° |
| C15 | C16 | C23 | H30 | 118.7° | 150.0° |
| C15 | C16 | C23 | H31 | 121.3° | 30.0° |
| C23 | C16 | C15 | C14 | 1.0° | 0.0° |
| C23 | C16 | C15 | H9 | 179.0° | 180.0° |
| C23 | C16 | C17 | H25 | 179.5° | 180.0° |
| C16 | C23 | H29 | H30 | 120.0° | 120.0° |
| C16 | C23 | H29 | H31 | 120.0° | 119.9° |
| C16 | C23 | H30 | H31 | 120.0° | 120.0° |
| C15 | C14 | C13 | H8 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 179.6° | 180.0° |
| C15 | C14 | C13 | H7 | 0.4° | 0.0° |
| C14 | C13 | C12 | H7 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 176.2° | 180.0° |
| C14 | C13 | C12 | C22 | 4.6° | 0.0° |
| C13 | C14 | C15 | H9 | 2.6° | 0.0° |
| C13 | C12 | C11 | C22 | 179.1° | 179.9° |
| C13 | C12 | C11 | C10 | 178.0° | 180.0° |
| C13 | C12 | C11 | H6 | 2.0° | 0.1° |
| C12 | C13 | C14 | H8 | 0.4° | 0.0° |
| C13 | C12 | C22 | H15 | 180.0° | 90.0° |
| C13 | C12 | C22 | H16 | 60.0° | 29.9° |
| C13 | C12 | C22 | H17 | 60.0° | 150.0° |
| C12 | C11 | C10 | H6 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 177.5° | 180.0° |
| C12 | C11 | C10 | H5 | 2.5° | 0.1° |
| C11 | C12 | C13 | H7 | 3.7° | 0.1° |
| C11 | C12 | C22 | H15 | 0.9° | 90.1° |
| C11 | C12 | C22 | H16 | 119.1° | 150.0° |
| C11 | C12 | C22 | H17 | 120.9° | 29.9° |
| C22 | C12 | C11 | C10 | 1.1° | 0.1° |
| C22 | C12 | C11 | H6 | 178.9° | 180.0° |
| C22 | C12 | C13 | H7 | 175.4° | 180.0° |
| C12 | C22 | H15 | H16 | 120.0° | 120.0° |
| C12 | C22 | H15 | H17 | 120.0° | 120.0° |
| C12 | C22 | H16 | H17 | 120.0° | 120.1° |
| C11 | C10 | C9 | H5 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 179.5° | 180.0° |
| C11 | C10 | C9 | H54 | 0.5° | 0.0° |
| C10 | C9 | C8 | H54 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 179.0° | 180.0° |
| C9 | C10 | C11 | H6 | 2.5° | 0.0° |
| C10 | C9 | C8 | H53 | 1.0° | 0.0° |
| C9 | C8 | C7 | C21 | 1.6° | 0.1° |
| C9 | C8 | C7 | H53 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 175.5° | 180.0° |
| C8 | C9 | C10 | H5 | 0.5° | 0.0° |
| C21 | C7 | C8 | C6 | 177.0° | 179.9° |
| C21 | C7 | C6 | C5 | 10.8° | 0.1° |
| C21 | C7 | C6 | H4 | 169.2° | 180.0° |
| C7 | C21 | H26 | H27 | 120.0° | 120.0° |
| C7 | C21 | H26 | H28 | 120.0° | 120.0° |
| C7 | C21 | H27 | H28 | 120.0° | 120.0° |
| C21 | C7 | C8 | H53 | 178.4° | 180.0° |
| C8 | C7 | C6 | C5 | 166.4° | 180.0° |
| C8 | C7 | C6 | H4 | 13.6° | 0.1° |
| C8 | C7 | C21 | H26 | 180.0° | 89.9° |
| C8 | C7 | C21 | H27 | 60.0° | 30.0° |
| C8 | C7 | C21 | H28 | 60.0° | 150.0° |
| C7 | C8 | C9 | H54 | 1.0° | 0.0° |
| C7 | C6 | C5 | H4 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 179.5° | 179.9° |
| C7 | C6 | C5 | H3 | 0.5° | 0.1° |
| C6 | C7 | C21 | H26 | 3.0° | 90.0° |
| C6 | C7 | C21 | H27 | 123.0° | 150.0° |
| C6 | C7 | C21 | H28 | 117.1° | 30.1° |
| C6 | C7 | C8 | H53 | 4.5° | 0.1° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 174.7° | 179.9° |
| C6 | C5 | C4 | H2 | 5.3° | 0.0° |
| C5 | C4 | C3 | C20 | 0.3° | 0.1° |
| C5 | C4 | C3 | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 178.7° | 180.0° |
| C4 | C5 | C6 | H4 | 0.5° | 0.0° |
| C20 | C3 | C4 | C2 | 179.0° | 179.9° |
| C20 | C3 | C2 | C42 | 3.1° | 0.0° |
| C20 | C3 | C2 | H1 | 176.9° | 180.0° |
| C20 | C3 | C4 | H2 | 179.7° | 180.0° |
| C3 | C20 | H12 | H13 | 120.0° | 119.9° |
| C3 | C20 | H12 | H14 | 120.0° | 120.1° |
| C3 | C20 | H13 | H14 | 120.0° | 120.1° |
| C4 | C3 | C2 | C42 | 175.9° | 179.9° |
| C4 | C3 | C2 | H1 | 4.0° | 0.0° |
| C3 | C4 | C5 | H3 | 5.4° | 0.0° |
| C4 | C3 | C20 | H12 | 180.0° | 90.0° |
| C4 | C3 | C20 | H13 | 60.0° | 29.9° |
| C4 | C3 | C20 | H14 | 60.0° | 150.0° |
| C3 | C2 | C42 | H1 | 180.0° | 180.0° |
| C3 | C2 | C42 | C1 | 179.9° | 175.3° |
| C2 | C3 | C4 | H2 | 1.3° | 0.0° |
| C2 | C3 | C20 | H12 | 1.0° | 90.1° |
| C2 | C3 | C20 | H13 | 121.0° | 150.0° |
| C2 | C3 | C20 | H14 | 119.0° | 30.0° |
| C3 | C2 | C42 | H52 | 0.2° | 4.6° |
| C2 | C42 | C1 | H52 | 180.0° | 179.9° |
| C2 | C42 | C1 | C28 | 85.4° | 57.0° |
| C2 | C42 | C1 | C24 | 94.0° | 123.4° |
| C42 | C1 | C28 | C35 | 9.6° | 0.1° |
| C42 | C1 | C28 | C24 | 179.4° | 179.7° |
| C42 | C1 | C28 | C27 | 170.1° | 179.9° |
| C42 | C1 | C24 | C38 | 46.8° | 43.1° |
| C42 | C1 | C24 | C36 | 73.2° | 76.7° |
| C42 | C1 | C24 | C25 | 167.5° | 163.2° |
| C1 | C42 | C2 | H1 | 0.1° | 4.7° |
| C35 | C28 | C1 | C27 | 179.7° | 180.0° |
| C35 | C28 | C1 | C24 | 169.8° | 179.6° |
| C35 | C28 | C27 | C26 | 148.0° | 162.8° |
| C35 | C28 | C27 | H21 | 27.6° | 77.0° |
| C35 | C28 | C27 | H22 | 91.6° | 42.6° |
| C28 | C35 | H37 | H38 | 120.0° | 120.0° |
| C28 | C35 | H37 | H39 | 120.0° | 119.9° |
| C28 | C35 | H38 | H39 | 120.0° | 120.0° |
| C28 | C1 | C24 | C38 | 133.7° | 137.2° |
| C28 | C1 | C24 | C36 | 106.2° | 103.0° |
| C28 | C1 | C24 | C25 | 13.1° | 17.2° |
| C1 | C28 | C27 | C26 | 32.2° | 17.1° |
| C1 | C28 | C27 | H21 | 152.6° | 103.0° |
| C1 | C28 | C27 | H22 | 88.2° | 137.4° |
| C1 | C28 | C35 | H37 | 180.0° | 84.8° |
| C1 | C28 | C35 | H38 | 60.0° | 155.2° |
| C1 | C28 | C35 | H39 | 60.0° | 35.1° |
| C28 | C1 | C42 | H52 | 94.6° | 123.1° |
| C24 | C1 | C28 | C27 | 10.5° | 0.4° |
| C1 | C24 | C38 | C36 | 121.1° | 119.8° |
| C1 | C24 | C38 | C25 | 123.1° | 120.6° |
| C1 | C24 | C36 | C25 | 122.5° | 120.6° |
| C1 | C24 | C25 | C26 | 38.3° | 49.9° |
| C1 | C24 | C25 | H18 | 82.3° | 69.9° |
| C1 | C24 | C25 | H19 | 158.8° | 169.6° |
| C1 | C24 | C36 | H40 | 180.0° | 59.9° |
| C1 | C24 | C36 | H41 | 60.0° | 180.0° |
| C1 | C24 | C36 | H42 | 60.0° | 60.1° |
| C1 | C24 | C38 | H46 | 180.0° | 65.1° |
| C1 | C24 | C38 | H47 | 60.0° | 174.9° |
| C1 | C24 | C38 | H48 | 60.0° | 54.9° |
| C24 | C1 | C42 | H52 | 86.0° | 56.6° |
| C28 | C27 | C26 | H21 | 120.4° | 120.1° |
| C28 | C27 | C26 | H22 | 120.4° | 120.1° |
| C28 | C27 | C26 | C25 | 55.3° | 49.8° |
| C28 | C27 | C26 | O40 | 174.9° | 169.6° |
| C28 | C27 | C26 | H20 | 63.5° | 70.0° |
| C28 | C27 | H21 | H22 | 118.7° | 119.6° |
| C27 | C28 | C35 | H37 | 0.3° | 95.2° |
| C27 | C28 | C35 | H38 | 120.2° | 24.8° |
| C27 | C28 | C35 | H39 | 119.8° | 144.8° |
| C38 | C24 | C36 | C25 | 116.5° | 119.6° |
| C38 | C24 | C25 | C26 | 160.1° | 170.0° |
| C38 | C24 | C25 | H18 | 39.6° | 50.3° |
| C38 | C24 | C25 | H19 | 79.3° | 70.3° |
| C38 | C24 | C36 | H40 | 59.0° | 179.7° |
| C38 | C24 | C36 | H41 | 61.0° | 60.2° |
| C38 | C24 | C36 | H42 | 179.0° | 59.7° |
| C24 | C38 | H46 | H47 | 120.0° | 120.0° |
| C24 | C38 | H46 | H48 | 120.0° | 120.0° |
| C24 | C38 | H47 | H48 | 120.0° | 120.0° |
| C36 | C24 | C25 | C26 | 83.0° | 70.3° |
| C36 | C24 | C25 | H18 | 156.5° | 170.0° |
| C36 | C24 | C25 | H19 | 37.5° | 49.4° |
| C24 | C36 | H40 | H41 | 120.0° | 120.0° |
| C24 | C36 | H40 | H42 | 120.0° | 120.0° |
| C24 | C36 | H41 | H42 | 120.0° | 119.9° |
| C36 | C24 | C38 | H46 | 58.9° | 54.7° |
| C36 | C24 | C38 | H47 | 178.9° | 65.3° |
| C36 | C24 | C38 | H48 | 61.1° | 174.7° |
| C24 | C25 | C26 | C27 | 59.9° | 68.2° |
| C24 | C25 | C26 | H18 | 120.5° | 119.7° |
| C24 | C25 | C26 | H19 | 120.6° | 119.7° |
| C24 | C25 | C26 | O40 | 179.8° | 172.1° |
| C24 | C25 | H18 | H19 | 118.3° | 120.5° |
| C24 | C25 | C26 | H20 | 58.9° | 51.7° |
| C25 | C24 | C36 | H40 | 57.5° | 60.7° |
| C25 | C24 | C36 | H41 | 177.5° | 59.4° |
| C25 | C24 | C36 | H42 | 62.5° | 179.3° |
| C25 | C24 | C38 | H46 | 56.9° | 174.3° |
| C25 | C24 | C38 | H47 | 63.1° | 54.4° |
| C25 | C24 | C38 | H48 | 176.9° | 65.6° |
| C27 | C26 | C25 | O40 | 119.9° | 119.7° |
| C27 | C26 | C25 | H20 | 118.8° | 119.9° |
| C27 | C26 | O40 | H20 | 120.8° | 120.5° |
| C27 | C26 | C25 | H18 | 60.6° | 51.5° |
| C27 | C26 | C25 | H19 | 179.5° | 172.0° |
| C26 | C27 | H21 | H22 | 118.7° | 119.8° |
| C27 | C26 | O40 | H55 | 180.0° | 60.9° |
| C25 | C26 | O40 | H20 | 120.5° | 120.4° |
| C26 | C25 | H18 | H19 | 118.3° | 120.5° |
| C25 | C26 | C27 | H21 | 175.7° | 70.3° |
| C25 | C26 | C27 | H22 | 65.1° | 169.9° |
| C25 | C26 | O40 | H55 | 61.3° | 180.0° |
| O40 | C26 | C25 | H18 | 59.3° | 68.2° |
| O40 | C26 | C25 | H19 | 59.6° | 52.3° |
| O40 | C26 | C27 | H21 | 64.7° | 49.4° |
| O40 | C26 | C27 | H22 | 54.5° | 70.3° |
| H1 | C2 | C42 | H52 | 179.9° | 175.3° |
| H2 | C4 | C5 | H3 | 174.7° | 180.0° |
| H3 | C5 | C6 | H4 | 179.5° | 180.0° |
| H5 | C10 | C11 | H6 | 177.5° | 180.0° |
| H5 | C10 | C9 | H54 | 179.5° | 180.0° |
| H7 | C13 | C14 | H8 | 179.6° | NaN° |
| H8 | C14 | C15 | H9 | 177.4° | 180.0° |
| H10 | C18 | C19 | H11 | 171.4° | 179.6° |
| H10 | C18 | C17 | H25 | 177.6° | 180.0° |
| H12 | C20 | H13 | H14 | 120.0° | 120.0° |
| H15 | C22 | H16 | H17 | 120.0° | 120.0° |
| H18 | C25 | C26 | H20 | 179.5° | 171.4° |
| H19 | C25 | C26 | H20 | 61.6° | 68.1° |
| H20 | C26 | C27 | H21 | 56.8° | 169.9° |
| H20 | C26 | C27 | H22 | 176.1° | 50.1° |
| H20 | C26 | O40 | H55 | 59.2° | 59.6° |
| H23 | C30 | C31 | H32 | 167.5° | 48.9° |
| H24 | C30 | C31 | H32 | 48.6° | 169.4° |
| H26 | C21 | H27 | H28 | 120.0° | 120.0° |
| H29 | C23 | H30 | H31 | 120.0° | 120.0° |
| H32 | C31 | C32 | H33 | 83.1° | 76.9° |
| H32 | C31 | O41 | H56 | 59.8° | 59.7° |
| H34 | C34 | H35 | H36 | 120.0° | 119.9° |
| H37 | C35 | H38 | H39 | 120.0° | 120.0° |
| H40 | C36 | H41 | H42 | 120.0° | 120.0° |
| H43 | C37 | H44 | H45 | 120.1° | 120.0° |
| H46 | C38 | H47 | H48 | 120.0° | 120.0° |
| H49 | C39 | H50 | H51 | 120.0° | 120.0° |
| H53 | C8 | C9 | H54 | 179.0° | 180.0° |
