QS2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | O25 | sing | 1.43Å | 1.43Å | |
| O25 | C1 | sing | 1.43Å | 1.39Å | |
| C24 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C23 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| O32 | C4 | doub | 1.22Å | 1.22Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | sing | 1.39Å | 1.49Å | |
| C5 | C6 | doub | 1.38Å | 1.31Å | |
| C5 | C26 | sing | 1.51Å | 1.50Å | |
| C6 | C7 | sing | 1.39Å | 1.40Å | |
| C41 | C38 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | doub | 1.38Å | 1.33Å | |
| C8 | C9 | sing | 1.39Å | 1.44Å | |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.35Å | |
| C10 | C11 | sing | 1.39Å | 1.41Å | |
| C38 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C27 | sing | 1.51Å | 1.50Å | |
| C29 | C18 | sing | 1.51Å | 1.50Å | |
| C36 | C35 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.33Å | |
| C12 | C13 | sing | 1.39Å | 1.45Å | |
| C14 | C13 | doub | 1.38Å | 1.35Å | |
| C14 | C15 | sing | 1.40Å | 1.42Å | |
| C16 | C15 | doub | 1.38Å | 1.35Å | |
| C16 | C17 | sing | 1.40Å | 1.43Å | |
| C13 | C28 | sing | 1.51Å | 1.50Å | |
| C18 | C17 | doub | 1.38Å | 1.35Å | |
| C18 | C19 | sing | 1.40Å | 1.45Å | |
| C39 | C42 | sing | 1.51Å | 1.51Å | |
| C39 | C40 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | C40 | sing | 1.40Å | 1.42Å | Aromatic |
| C35 | C33 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | doub | 1.38Å | 1.34Å | |
| C20 | C21 | sing | 1.40Å | 1.43Å | |
| C40 | C43 | sing | 1.51Å | 1.51Å | |
| C30 | C33 | doub | 1.36Å | 1.33Å | |
| C30 | C22 | sing | 1.41Å | 1.45Å | |
| C21 | C22 | doub | 1.36Å | 1.35Å | |
| C22 | C34 | sing | 1.51Å | 1.50Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.08Å | 1.08Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.08Å | 1.08Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.08Å | 1.08Å | |
| C37 | H42 | sing | 1.08Å | 1.08Å | |
| C41 | H43 | sing | 1.09Å | 1.10Å | |
| C41 | H44 | sing | 1.09Å | 1.10Å | |
| C41 | H45 | sing | 1.09Å | 1.10Å | |
| C42 | H46 | sing | 1.09Å | 1.10Å | |
| C42 | H47 | sing | 1.09Å | 1.10Å | |
| C42 | H48 | sing | 1.09Å | 1.10Å | |
| C43 | H49 | sing | 1.09Å | 1.10Å | |
| C43 | H50 | sing | 1.09Å | 1.10Å | |
| C43 | H51 | sing | 1.09Å | 1.10Å | |
| C6 | H52 | sing | 1.08Å | 1.08Å | |
| C7 | H53 | sing | 1.08Å | 1.08Å | |
| C8 | H54 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | O25 | C1 | 116.5° | 114.0° |
| O25 | C31 | H34 | 109.5° | 109.5° |
| O25 | C31 | H35 | 109.5° | 109.5° |
| O25 | C31 | H36 | 109.5° | 109.4° |
| O25 | C1 | C24 | 107.0° | 109.5° |
| O25 | C1 | C23 | 110.9° | 109.5° |
| O25 | C1 | C2 | 104.7° | 109.5° |
| C24 | C1 | C23 | 110.8° | 109.5° |
| C24 | C1 | C2 | 111.6° | 109.5° |
| C1 | C24 | H16 | 109.5° | 109.5° |
| C1 | C24 | H17 | 109.5° | 109.5° |
| C1 | C24 | H18 | 109.5° | 109.5° |
| C23 | C1 | C2 | 111.6° | 109.4° |
| C1 | C23 | H13 | 109.5° | 109.5° |
| C1 | C23 | H14 | 109.5° | 109.5° |
| C1 | C23 | H15 | 109.5° | 109.5° |
| C1 | C2 | C3 | 117.8° | 109.5° |
| C1 | C2 | H9 | 107.4° | 109.5° |
| C1 | C2 | H10 | 107.4° | 109.5° |
| O32 | C4 | C3 | 121.4° | 120.0° |
| O32 | C4 | C5 | 117.6° | 120.0° |
| C2 | C3 | C4 | 115.3° | 109.5° |
| C3 | C2 | H9 | 107.4° | 109.5° |
| C3 | C2 | H10 | 107.4° | 109.5° |
| C2 | C3 | H31 | 108.0° | 109.5° |
| C2 | C3 | H32 | 108.0° | 109.5° |
| C3 | C4 | C5 | 121.0° | 120.0° |
| C4 | C3 | H31 | 108.0° | 109.5° |
| C4 | C3 | H32 | 108.0° | 109.5° |
| C4 | C5 | C6 | 113.9° | 120.0° |
| C4 | C5 | C26 | 119.3° | 120.0° |
| C6 | C5 | C26 | 126.8° | 120.0° |
| C5 | C6 | C7 | 131.4° | 120.0° |
| C5 | C6 | H52 | 114.3° | 120.0° |
| C5 | C26 | H19 | 109.5° | 109.5° |
| C5 | C26 | H20 | 109.4° | 109.5° |
| C5 | C26 | H21 | 109.4° | 109.5° |
| C6 | C7 | C8 | 118.2° | 120.0° |
| C7 | C6 | H52 | 114.3° | 120.0° |
| C6 | C7 | H53 | 120.9° | 120.1° |
| C41 | C38 | C37 | 119.8° | 119.8° |
| C41 | C38 | C39 | 121.0° | 119.8° |
| C38 | C41 | H43 | 109.5° | 109.4° |
| C38 | C41 | H44 | 109.5° | 109.5° |
| C38 | C41 | H45 | 109.5° | 109.5° |
| C7 | C8 | C9 | 128.3° | 120.0° |
| C8 | C7 | H53 | 120.9° | 120.0° |
| C7 | C8 | H54 | 115.8° | 120.0° |
| C8 | C9 | C10 | 118.4° | 120.0° |
| C8 | C9 | C27 | 118.1° | 120.0° |
| C9 | C8 | H54 | 115.9° | 120.0° |
| C38 | C37 | C36 | 121.3° | 120.2° |
| C37 | C38 | C39 | 119.2° | 120.3° |
| C38 | C37 | H42 | 119.3° | 119.9° |
| C37 | C36 | C35 | 120.8° | 119.8° |
| C37 | C36 | H41 | 119.6° | 120.1° |
| C36 | C37 | H42 | 119.4° | 119.9° |
| C9 | C10 | C11 | 127.9° | 120.0° |
| C10 | C9 | C27 | 123.5° | 120.0° |
| C9 | C10 | H1 | 116.1° | 119.9° |
| C10 | C11 | C12 | 122.8° | 120.0° |
| C11 | C10 | H1 | 116.1° | 120.0° |
| C10 | C11 | H2 | 118.6° | 120.0° |
| C38 | C39 | C42 | 119.6° | 119.9° |
| C38 | C39 | C40 | 120.2° | 120.2° |
| C9 | C27 | H22 | 109.5° | 109.5° |
| C9 | C27 | H23 | 109.5° | 109.5° |
| C9 | C27 | H24 | 109.5° | 109.5° |
| C29 | C18 | C17 | 122.9° | 120.0° |
| C29 | C18 | C19 | 118.0° | 120.0° |
| C18 | C29 | H28 | 109.5° | 109.5° |
| C18 | C29 | H29 | 109.5° | 109.5° |
| C18 | C29 | H30 | 109.4° | 109.5° |
| C36 | C35 | C40 | 118.8° | 119.6° |
| C36 | C35 | C33 | 120.3° | 120.2° |
| C35 | C36 | H41 | 119.6° | 120.1° |
| C11 | C12 | C13 | 126.8° | 120.0° |
| C12 | C11 | H2 | 118.6° | 120.0° |
| C11 | C12 | H3 | 116.6° | 119.9° |
| C12 | C13 | C14 | 119.2° | 120.0° |
| C12 | C13 | C28 | 117.8° | 120.0° |
| C13 | C12 | H3 | 116.6° | 120.0° |
| C13 | C14 | C15 | 127.6° | 120.0° |
| C14 | C13 | C28 | 123.0° | 120.0° |
| C13 | C14 | H4 | 116.2° | 120.0° |
| C14 | C15 | C16 | 123.5° | 120.0° |
| C15 | C14 | H4 | 116.2° | 120.0° |
| C14 | C15 | H5 | 118.2° | 120.0° |
| C15 | C16 | C17 | 123.3° | 120.0° |
| C16 | C15 | H5 | 118.2° | 120.0° |
| C15 | C16 | H6 | 118.4° | 120.0° |
| C16 | C17 | C18 | 127.7° | 120.0° |
| C17 | C16 | H6 | 118.3° | 120.1° |
| C16 | C17 | H7 | 116.2° | 120.0° |
| C13 | C28 | H25 | 109.5° | 109.4° |
| C13 | C28 | H26 | 109.5° | 109.4° |
| C13 | C28 | H27 | 109.4° | 109.4° |
| C17 | C18 | C19 | 119.0° | 120.0° |
| C18 | C17 | H7 | 116.1° | 120.0° |
| C18 | C19 | C20 | 127.5° | 120.0° |
| C18 | C19 | H8 | 116.2° | 120.0° |
| C42 | C39 | C40 | 120.2° | 119.9° |
| C39 | C42 | H46 | 109.5° | 109.5° |
| C39 | C42 | H47 | 109.5° | 109.5° |
| C39 | C42 | H48 | 109.5° | 109.4° |
| C39 | C40 | C35 | 119.7° | 119.8° |
| C39 | C40 | C43 | 120.0° | 120.1° |
| C40 | C35 | C33 | 120.7° | 120.2° |
| C35 | C40 | C43 | 120.3° | 120.1° |
| C35 | C33 | C30 | 128.2° | 120.0° |
| C35 | C33 | H37 | 115.9° | 120.0° |
| C19 | C20 | C21 | 122.3° | 120.0° |
| C20 | C19 | H8 | 116.2° | 120.0° |
| C19 | C20 | H11 | 118.8° | 120.0° |
| C20 | C21 | C22 | 128.0° | 120.0° |
| C21 | C20 | H11 | 118.9° | 120.1° |
| C20 | C21 | H12 | 116.0° | 120.0° |
| C40 | C43 | H49 | 109.5° | 109.5° |
| C40 | C43 | H50 | 109.5° | 109.5° |
| C40 | C43 | H51 | 109.5° | 109.5° |
| C33 | C30 | C22 | 120.4° | 120.0° |
| C33 | C30 | H33 | 119.8° | 120.0° |
| C30 | C33 | H37 | 115.9° | 120.0° |
| C30 | C22 | C21 | 119.7° | 120.0° |
| C30 | C22 | C34 | 117.7° | 120.0° |
| C22 | C30 | H33 | 119.8° | 120.0° |
| C21 | C22 | C34 | 122.6° | 120.0° |
| C22 | C21 | H12 | 116.0° | 120.0° |
| C22 | C34 | H38 | 109.5° | 109.5° |
| C22 | C34 | H39 | 109.5° | 109.5° |
| C22 | C34 | H40 | 109.4° | 109.4° |
| H9 | C2 | H10 | 109.5° | 109.4° |
| H13 | C23 | H14 | 109.4° | 109.5° |
| H13 | C23 | H15 | 109.4° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.4° |
| H16 | C24 | H17 | 109.5° | 109.4° |
| H16 | C24 | H18 | 109.5° | 109.4° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H19 | C26 | H21 | 109.5° | 109.5° |
| H20 | C26 | H21 | 109.5° | 109.4° |
| H22 | C27 | H23 | 109.4° | 109.5° |
| H22 | C27 | H24 | 109.5° | 109.4° |
| H23 | C27 | H24 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.4° | 109.5° |
| H25 | C28 | H27 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.5° | 109.5° |
| H28 | C29 | H29 | 109.5° | 109.4° |
| H28 | C29 | H30 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.4° | 109.4° |
| H34 | C31 | H35 | 109.5° | 109.6° |
| H34 | C31 | H36 | 109.5° | 109.4° |
| H35 | C31 | H36 | 109.4° | 109.4° |
| H38 | C34 | H39 | 109.5° | 109.5° |
| H38 | C34 | H40 | 109.5° | 109.5° |
| H39 | C34 | H40 | 109.5° | 109.5° |
| H43 | C41 | H44 | 109.5° | 109.5° |
| H43 | C41 | H45 | 109.5° | 109.5° |
| H44 | C41 | H45 | 109.5° | 109.5° |
| H46 | C42 | H47 | 109.4° | 109.5° |
| H46 | C42 | H48 | 109.5° | 109.5° |
| H47 | C42 | H48 | 109.5° | 109.5° |
| H49 | C43 | H50 | 109.5° | 109.5° |
| H49 | C43 | H51 | 109.5° | 109.5° |
| H50 | C43 | H51 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | O25 | C1 | C24 | 79.9° | 60.0° |
| C31 | O25 | C1 | C23 | 41.0° | 60.0° |
| C31 | O25 | C1 | C2 | 161.6° | 180.0° |
| O25 | C31 | H34 | H35 | 120.0° | 120.1° |
| O25 | C31 | H34 | H36 | 120.0° | 120.0° |
| O25 | C31 | H35 | H36 | 120.0° | 119.9° |
| O25 | C1 | C24 | C23 | 121.0° | 120.0° |
| O25 | C1 | C24 | C2 | 114.0° | 120.0° |
| O25 | C1 | C23 | C2 | 116.3° | 120.0° |
| O25 | C1 | C2 | C3 | 15.6° | 65.0° |
| O25 | C1 | C2 | H9 | 105.6° | 175.0° |
| O25 | C1 | C2 | H10 | 136.8° | 55.0° |
| O25 | C1 | C23 | H13 | 180.0° | 180.0° |
| O25 | C1 | C23 | H14 | 60.0° | 60.0° |
| O25 | C1 | C23 | H15 | 60.0° | 59.9° |
| O25 | C1 | C24 | H16 | 180.0° | 180.0° |
| O25 | C1 | C24 | H17 | 60.0° | 60.0° |
| O25 | C1 | C24 | H18 | 60.0° | 60.0° |
| C1 | O25 | C31 | H34 | 180.0° | 179.9° |
| C1 | O25 | C31 | H35 | 60.0° | 60.0° |
| C1 | O25 | C31 | H36 | 60.0° | 60.0° |
| C24 | C1 | C23 | C2 | 125.0° | 120.0° |
| C24 | C1 | C2 | C3 | 131.0° | 55.0° |
| C24 | C1 | C2 | H9 | 9.8° | 65.0° |
| C24 | C1 | C2 | H10 | 107.8° | 175.0° |
| C24 | C1 | C23 | H13 | 61.3° | 60.0° |
| C24 | C1 | C23 | H14 | 58.7° | 60.0° |
| C24 | C1 | C23 | H15 | 178.7° | 180.0° |
| C1 | C24 | H16 | H17 | 120.0° | 120.0° |
| C1 | C24 | H16 | H18 | 120.0° | 120.0° |
| C1 | C24 | H17 | H18 | 120.0° | 120.0° |
| C23 | C1 | C2 | C3 | 104.5° | 175.0° |
| C23 | C1 | C2 | H9 | 134.4° | 55.0° |
| C23 | C1 | C2 | H10 | 16.8° | 65.0° |
| C1 | C23 | H13 | H14 | 120.0° | 120.0° |
| C1 | C23 | H13 | H15 | 120.0° | 120.0° |
| C1 | C23 | H14 | H15 | 120.0° | 120.0° |
| C23 | C1 | C24 | H16 | 59.0° | 60.0° |
| C23 | C1 | C24 | H17 | 179.0° | 180.0° |
| C23 | C1 | C24 | H18 | 61.0° | 60.0° |
| C1 | C2 | C3 | H9 | 121.2° | 120.1° |
| C1 | C2 | C3 | H10 | 121.2° | 120.0° |
| C1 | C2 | C3 | C4 | 62.5° | 180.0° |
| C1 | C2 | H9 | H10 | 116.2° | 120.0° |
| C2 | C1 | C23 | H13 | 63.7° | 60.0° |
| C2 | C1 | C23 | H14 | 176.4° | 180.0° |
| C2 | C1 | C23 | H15 | 56.3° | 60.1° |
| C2 | C1 | C24 | H16 | 66.0° | 60.0° |
| C2 | C1 | C24 | H17 | 54.0° | 60.0° |
| C2 | C1 | C24 | H18 | 174.0° | 179.9° |
| C1 | C2 | C3 | H31 | 58.4° | 60.0° |
| C1 | C2 | C3 | H32 | 176.6° | 60.0° |
| O32 | C4 | C3 | C2 | 44.7° | 0.1° |
| O32 | C4 | C3 | C5 | 179.7° | 179.9° |
| O32 | C4 | C5 | C6 | 0.1° | 0.1° |
| O32 | C4 | C5 | C26 | 179.3° | 180.0° |
| O32 | C4 | C3 | H31 | 76.2° | 120.1° |
| O32 | C4 | C3 | H32 | 165.5° | 120.0° |
| C2 | C3 | C4 | H31 | 120.9° | 120.0° |
| C2 | C3 | C4 | H32 | 120.8° | 120.1° |
| C2 | C3 | C4 | C5 | 135.6° | 180.0° |
| C3 | C2 | H9 | H10 | 116.3° | 120.0° |
| C2 | C3 | H31 | H32 | 117.3° | 120.0° |
| C3 | C4 | C5 | C6 | 179.6° | 180.0° |
| C3 | C4 | C5 | C26 | 0.9° | 0.1° |
| C4 | C3 | C2 | H9 | 176.3° | 60.0° |
| C4 | C3 | C2 | H10 | 58.7° | 60.0° |
| C4 | C3 | H31 | H32 | 117.3° | 120.0° |
| C4 | C5 | C6 | C26 | 179.4° | 179.9° |
| C4 | C5 | C6 | C7 | 176.2° | 180.0° |
| C4 | C5 | C26 | H19 | 180.0° | 90.1° |
| C4 | C5 | C26 | H20 | 60.0° | 149.9° |
| C4 | C5 | C26 | H21 | 60.0° | 30.0° |
| C5 | C4 | C3 | H31 | 103.5° | 60.0° |
| C5 | C4 | C3 | H32 | 14.7° | 59.9° |
| C4 | C5 | C6 | H52 | 3.8° | 0.0° |
| C5 | C6 | C7 | H52 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 179.7° | 180.0° |
| C6 | C5 | C26 | H19 | 0.6° | 90.0° |
| C6 | C5 | C26 | H20 | 120.6° | 30.0° |
| C6 | C5 | C26 | H21 | 119.4° | 150.0° |
| C5 | C6 | C7 | H53 | 0.3° | 0.0° |
| C26 | C5 | C6 | C7 | 3.2° | 0.0° |
| C5 | C26 | H19 | H20 | 120.0° | 120.0° |
| C5 | C26 | H19 | H21 | 120.0° | 120.0° |
| C5 | C26 | H20 | H21 | 120.0° | 120.0° |
| C26 | C5 | C6 | H52 | 176.8° | 180.0° |
| C6 | C7 | C8 | H53 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 178.7° | 180.0° |
| C6 | C7 | C8 | H54 | 1.3° | 0.1° |
| C41 | C38 | C37 | C39 | 179.6° | 179.9° |
| C41 | C38 | C37 | C36 | 178.6° | 180.0° |
| C41 | C38 | C39 | C42 | 0.2° | 0.1° |
| C41 | C38 | C39 | C40 | 179.0° | 180.0° |
| C41 | C38 | C37 | H42 | 1.4° | 0.0° |
| C38 | C41 | H43 | H44 | 120.0° | 120.0° |
| C38 | C41 | H43 | H45 | 120.0° | 120.0° |
| C38 | C41 | H44 | H45 | 120.0° | 120.0° |
| C7 | C8 | C9 | H54 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 179.7° | 180.0° |
| C7 | C8 | C9 | C27 | 2.6° | 0.0° |
| C8 | C7 | C6 | H52 | 0.3° | 0.1° |
| C8 | C9 | C10 | C27 | 177.6° | 180.0° |
| C8 | C9 | C10 | C11 | 176.2° | 180.0° |
| C8 | C9 | C10 | H1 | 3.8° | 0.0° |
| C8 | C9 | C27 | H22 | 180.0° | 90.0° |
| C8 | C9 | C27 | H23 | 60.0° | 30.0° |
| C8 | C9 | C27 | H24 | 60.0° | 150.0° |
| C9 | C8 | C7 | H53 | 1.3° | 0.1° |
| C38 | C37 | C36 | H42 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 0.3° | 0.0° |
| C37 | C38 | C39 | C42 | 179.4° | 180.0° |
| C37 | C38 | C39 | C40 | 0.6° | 0.1° |
| C38 | C37 | C36 | H41 | 179.7° | 180.0° |
| C37 | C38 | C41 | H43 | 89.8° | 90.1° |
| C37 | C38 | C41 | H44 | 150.2° | 150.0° |
| C37 | C38 | C41 | H45 | 30.2° | 30.0° |
| C36 | C37 | C38 | C39 | 1.0° | 0.0° |
| C37 | C36 | C35 | H41 | 180.0° | 180.0° |
| C37 | C36 | C35 | C40 | 1.9° | 0.0° |
| C37 | C36 | C35 | C33 | 173.5° | 179.7° |
| C9 | C10 | C11 | H1 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 179.7° | 180.0° |
| C9 | C10 | C11 | H2 | 0.3° | 0.0° |
| C10 | C9 | C27 | H22 | 2.4° | 90.0° |
| C10 | C9 | C27 | H23 | 122.4° | 150.0° |
| C10 | C9 | C27 | H24 | 117.6° | 30.0° |
| C10 | C9 | C8 | H54 | 0.4° | 0.0° |
| C11 | C10 | C9 | C27 | 1.4° | 0.0° |
| C10 | C11 | C12 | H2 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 179.4° | 180.0° |
| C10 | C11 | C12 | H3 | 0.6° | 0.1° |
| C38 | C39 | C42 | C40 | 178.8° | 179.9° |
| C38 | C39 | C40 | C35 | 1.0° | 0.1° |
| C38 | C39 | C40 | C43 | 178.1° | 179.7° |
| C39 | C38 | C37 | H42 | 179.0° | 180.0° |
| C39 | C38 | C41 | H43 | 89.8° | 90.0° |
| C39 | C38 | C41 | H44 | 30.2° | 29.9° |
| C39 | C38 | C41 | H45 | 150.2° | 149.9° |
| C38 | C39 | C42 | H46 | 89.4° | 89.9° |
| C38 | C39 | C42 | H47 | 150.6° | 150.0° |
| C38 | C39 | C42 | H48 | 30.6° | 30.0° |
| C27 | C9 | C10 | H1 | 178.6° | 180.0° |
| C9 | C27 | H22 | H23 | 120.0° | 120.0° |
| C9 | C27 | H22 | H24 | 120.0° | 120.0° |
| C9 | C27 | H23 | H24 | 120.0° | 120.0° |
| C27 | C9 | C8 | H54 | 177.4° | 180.0° |
| C29 | C18 | C17 | C16 | 1.8° | 0.0° |
| C29 | C18 | C17 | C19 | 176.0° | 179.9° |
| C29 | C18 | C19 | C20 | 4.4° | 0.1° |
| C29 | C18 | C17 | H7 | 178.2° | 180.0° |
| C29 | C18 | C19 | H8 | 175.5° | 180.0° |
| C18 | C29 | H28 | H29 | 120.0° | 120.0° |
| C18 | C29 | H28 | H30 | 120.0° | 120.0° |
| C18 | C29 | H29 | H30 | 120.0° | 120.0° |
| C36 | C35 | C40 | C39 | 2.2° | 0.0° |
| C36 | C35 | C40 | C33 | 175.4° | 179.7° |
| C36 | C35 | C40 | C43 | 176.8° | 179.7° |
| C36 | C35 | C33 | C30 | 20.9° | 0.3° |
| C36 | C35 | C33 | H37 | 159.1° | 179.7° |
| C35 | C36 | C37 | H42 | 179.7° | 180.0° |
| C11 | C12 | C13 | H3 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 176.4° | 180.0° |
| C11 | C12 | C13 | C28 | 1.4° | 0.0° |
| C12 | C11 | C10 | H1 | 0.3° | 0.1° |
| C12 | C13 | C14 | C28 | 177.7° | 180.0° |
| C12 | C13 | C14 | C15 | 176.7° | 180.0° |
| C13 | C12 | C11 | H2 | 0.5° | 0.1° |
| C12 | C13 | C14 | H4 | 3.3° | 0.0° |
| C12 | C13 | C28 | H25 | 180.0° | 90.0° |
| C12 | C13 | C28 | H26 | 60.0° | 150.0° |
| C12 | C13 | C28 | H27 | 60.0° | 30.0° |
| C13 | C14 | C15 | H4 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 178.8° | 180.0° |
| C14 | C13 | C12 | H3 | 3.7° | 0.0° |
| C13 | C14 | C15 | H5 | 1.2° | 0.1° |
| C14 | C13 | C28 | H25 | 2.3° | 90.0° |
| C14 | C13 | C28 | H26 | 122.3° | 30.0° |
| C14 | C13 | C28 | H27 | 117.7° | 150.0° |
| C14 | C15 | C16 | H5 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 178.9° | 180.0° |
| C15 | C14 | C13 | C28 | 1.0° | 0.1° |
| C14 | C15 | C16 | H6 | 1.1° | 0.0° |
| C15 | C16 | C17 | H6 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 178.5° | 180.0° |
| C16 | C15 | C14 | H4 | 1.2° | 0.1° |
| C15 | C16 | C17 | H7 | 1.5° | 0.0° |
| C16 | C17 | C18 | H7 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 174.2° | 180.0° |
| C17 | C16 | C15 | H5 | 1.1° | 0.0° |
| C28 | C13 | C12 | H3 | 178.6° | 180.0° |
| C28 | C13 | C14 | H4 | 179.0° | 180.0° |
| C13 | C28 | H25 | H26 | 120.0° | 120.0° |
| C13 | C28 | H25 | H27 | 120.0° | 119.9° |
| C13 | C28 | H26 | H27 | 120.0° | 120.0° |
| C17 | C18 | C19 | C20 | 171.8° | 180.0° |
| C18 | C17 | C16 | H6 | 1.5° | 0.0° |
| C17 | C18 | C19 | H8 | 8.3° | 0.1° |
| C17 | C18 | C29 | H28 | 180.0° | 90.0° |
| C17 | C18 | C29 | H29 | 60.0° | 150.0° |
| C17 | C18 | C29 | H30 | 60.0° | 30.0° |
| C18 | C19 | C20 | H8 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 178.7° | 180.0° |
| C19 | C18 | C17 | H7 | 5.8° | 0.0° |
| C18 | C19 | C20 | H11 | 1.3° | 0.0° |
| C19 | C18 | C29 | H28 | 4.0° | 90.0° |
| C19 | C18 | C29 | H29 | 116.0° | 29.9° |
| C19 | C18 | C29 | H30 | 124.0° | 149.9° |
| C42 | C39 | C40 | C35 | 177.8° | 180.0° |
| C42 | C39 | C40 | C43 | 3.1° | 0.2° |
| C39 | C42 | H46 | H47 | 120.0° | 120.0° |
| C39 | C42 | H46 | H48 | 120.0° | 120.0° |
| C39 | C42 | H47 | H48 | 120.0° | 120.0° |
| C39 | C40 | C35 | C43 | 179.1° | 179.8° |
| C39 | C40 | C35 | C33 | 173.1° | 179.8° |
| C40 | C39 | C42 | H46 | 89.4° | 90.0° |
| C40 | C39 | C42 | H47 | 30.6° | 30.1° |
| C40 | C39 | C42 | H48 | 150.6° | 150.0° |
| C39 | C40 | C43 | H49 | 90.5° | 90.2° |
| C39 | C40 | C43 | H50 | 149.5° | 29.8° |
| C39 | C40 | C43 | H51 | 29.5° | 149.8° |
| C40 | C35 | C33 | C30 | 163.8° | 180.0° |
| C40 | C35 | C33 | H37 | 16.2° | 0.0° |
| C40 | C35 | C36 | H41 | 178.1° | 180.0° |
| C35 | C40 | C43 | H49 | 90.4° | 90.0° |
| C35 | C40 | C43 | H50 | 29.6° | 150.0° |
| C35 | C40 | C43 | H51 | 149.5° | 30.0° |
| C33 | C35 | C40 | C43 | 7.8° | 0.0° |
| C35 | C33 | C30 | H37 | 180.0° | 180.0° |
| C35 | C33 | C30 | C22 | 163.7° | 180.0° |
| C35 | C33 | C30 | H33 | 16.3° | 0.1° |
| C33 | C35 | C36 | H41 | 6.5° | 0.3° |
| C19 | C20 | C21 | H11 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 178.5° | 180.0° |
| C19 | C20 | C21 | H12 | 1.5° | 0.0° |
| C20 | C21 | C22 | C30 | 0.4° | 0.0° |
| C20 | C21 | C22 | H12 | 180.0° | 179.9° |
| C20 | C21 | C22 | C34 | 179.4° | 180.0° |
| C21 | C20 | C19 | H8 | 1.3° | 0.0° |
| C40 | C43 | H49 | H50 | 120.0° | 120.0° |
| C40 | C43 | H49 | H51 | 120.0° | 120.0° |
| C40 | C43 | H50 | H51 | 120.0° | 120.0° |
| C33 | C30 | C22 | H33 | 180.0° | 179.9° |
| C33 | C30 | C22 | C21 | 168.7° | 179.9° |
| C33 | C30 | C22 | C34 | 10.3° | 0.0° |
| C30 | C22 | C21 | C34 | 179.0° | 180.0° |
| C30 | C22 | C21 | H12 | 179.6° | 180.0° |
| C22 | C30 | C33 | H37 | 16.3° | 0.0° |
| C30 | C22 | C34 | H38 | 180.0° | 90.0° |
| C30 | C22 | C34 | H39 | 60.0° | 30.1° |
| C30 | C22 | C34 | H40 | 60.0° | 150.0° |
| C22 | C21 | C20 | H11 | 1.5° | 0.1° |
| C21 | C22 | C30 | H33 | 11.3° | 0.0° |
| C21 | C22 | C34 | H38 | 1.0° | 90.0° |
| C21 | C22 | C34 | H39 | 119.0° | 149.9° |
| C21 | C22 | C34 | H40 | 120.9° | 30.0° |
| C34 | C22 | C21 | H12 | 0.6° | 0.1° |
| C34 | C22 | C30 | H33 | 169.6° | 180.0° |
| C22 | C34 | H38 | H39 | 120.0° | 120.1° |
| C22 | C34 | H38 | H40 | 120.0° | 119.9° |
| C22 | C34 | H39 | H40 | 120.0° | 119.9° |
| H1 | C10 | C11 | H2 | 179.7° | 180.0° |
| H2 | C11 | C12 | H3 | 179.4° | 180.0° |
| H4 | C14 | C15 | H5 | 178.8° | 180.0° |
| H5 | C15 | C16 | H6 | 178.9° | 179.9° |
| H6 | C16 | C17 | H7 | 178.5° | 180.0° |
| H8 | C19 | C20 | H11 | 178.7° | 179.9° |
| H9 | C2 | C3 | H31 | 62.8° | 180.0° |
| H9 | C2 | C3 | H32 | 55.4° | 60.1° |
| H10 | C2 | C3 | H31 | 179.6° | 60.0° |
| H10 | C2 | C3 | H32 | 62.2° | 180.0° |
| H11 | C20 | C21 | H12 | 178.5° | 180.0° |
| H13 | C23 | H14 | H15 | 120.0° | 120.0° |
| H16 | C24 | H17 | H18 | 120.0° | 119.9° |
| H19 | C26 | H20 | H21 | 120.0° | 120.0° |
| H22 | C27 | H23 | H24 | 120.0° | 119.9° |
| H25 | C28 | H26 | H27 | 120.0° | 120.1° |
| H28 | C29 | H29 | H30 | 120.0° | 120.0° |
| H33 | C30 | C33 | H37 | 163.7° | 179.9° |
| H34 | C31 | H35 | H36 | 120.0° | 120.0° |
| H38 | C34 | H39 | H40 | 120.0° | 120.0° |
| H41 | C36 | C37 | H42 | 0.3° | 0.0° |
| H43 | C41 | H44 | H45 | 120.0° | 120.1° |
| H46 | C42 | H47 | H48 | 120.0° | 120.0° |
| H49 | C43 | H50 | H51 | 120.0° | 120.0° |
| H52 | C6 | C7 | H53 | 179.7° | 180.0° |
| H53 | C7 | C8 | H54 | 178.7° | 180.0° |
