QSE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C36 | sing | 1.51Å | 1.50Å | |
| C39 | C37 | sing | 1.51Å | 1.51Å | |
| C36 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C41 | sing | 1.51Å | 1.51Å | |
| C38 | C1 | doub | 1.40Å | 1.42Å | Aromatic |
| C34 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | doub | 1.36Å | 1.33Å | |
| C3 | C4 | sing | 1.41Å | 1.45Å | |
| C4 | C5 | doub | 1.36Å | 1.35Å | |
| C4 | C25 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | sing | 1.40Å | 1.42Å | |
| C6 | C7 | doub | 1.38Å | 1.33Å | |
| C7 | C8 | sing | 1.40Å | 1.45Å | |
| C8 | C9 | doub | 1.38Å | 1.35Å | |
| C8 | C26 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | sing | 1.40Å | 1.41Å | |
| C10 | C11 | doub | 1.38Å | 1.34Å | |
| C11 | C12 | sing | 1.40Å | 1.41Å | |
| C27 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | doub | 1.38Å | 1.35Å | |
| C13 | C14 | sing | 1.40Å | 1.45Å | |
| C14 | C15 | doub | 1.38Å | 1.33Å | |
| C15 | C16 | sing | 1.39Å | 1.42Å | |
| C16 | C17 | doub | 1.38Å | 1.35Å | |
| C28 | C17 | sing | 1.51Å | 1.50Å | |
| C17 | C18 | sing | 1.39Å | 1.45Å | |
| C18 | C19 | doub | 1.38Å | 1.33Å | |
| C19 | C20 | sing | 1.39Å | 1.41Å | |
| C20 | C21 | doub | 1.38Å | 1.31Å | |
| C29 | C21 | sing | 1.51Å | 1.49Å | |
| C21 | C22 | sing | 1.39Å | 1.49Å | |
| C22 | O33 | doub | 1.22Å | 1.22Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C43 | O42 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| O42 | C30 | sing | 1.43Å | 1.40Å | |
| C32 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C24 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| 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 | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | 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 | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.08Å | 1.08Å | |
| C35 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H40 | sing | 1.09Å | 1.10Å | |
| C39 | H41 | sing | 1.09Å | 1.10Å | |
| C40 | H42 | sing | 1.09Å | 1.10Å | |
| C40 | H43 | sing | 1.09Å | 1.10Å | |
| C40 | H44 | sing | 1.09Å | 1.10Å | |
| C41 | H45 | sing | 1.09Å | 1.10Å | |
| C41 | H46 | sing | 1.09Å | 1.10Å | |
| C41 | H47 | sing | 1.09Å | 1.10Å | |
| C43 | H48 | sing | 1.09Å | 1.10Å | |
| C43 | H49 | sing | 1.09Å | 1.10Å | |
| C43 | H50 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.08Å | 1.08Å | |
| C6 | H52 | sing | 1.08Å | 1.08Å | |
| C7 | H53 | sing | 1.08Å | 1.08Å | |
| C9 | H54 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C36 | C37 | 120.9° | 119.8° |
| C40 | C36 | C35 | 119.9° | 119.8° |
| C36 | C40 | H42 | 109.5° | 109.4° |
| C36 | C40 | H43 | 109.5° | 109.5° |
| C36 | C40 | H44 | 109.5° | 109.4° |
| C39 | C37 | C36 | 119.2° | 119.9° |
| C39 | C37 | C38 | 120.5° | 119.9° |
| C37 | C39 | H39 | 109.5° | 109.5° |
| C37 | C39 | H40 | 109.4° | 109.5° |
| C37 | C39 | H41 | 109.5° | 109.5° |
| C37 | C36 | C35 | 119.2° | 120.4° |
| C36 | C37 | C38 | 120.4° | 120.2° |
| C36 | C35 | C34 | 121.3° | 120.2° |
| C36 | C35 | H38 | 119.4° | 119.9° |
| C37 | C38 | C41 | 119.5° | 120.1° |
| C37 | C38 | C1 | 119.7° | 119.8° |
| C35 | C34 | C1 | 120.8° | 119.8° |
| C35 | C34 | H37 | 119.6° | 120.1° |
| C34 | C35 | H38 | 119.3° | 119.9° |
| C41 | C38 | C1 | 120.9° | 120.1° |
| C38 | C41 | H45 | 109.5° | 109.5° |
| C38 | C41 | H46 | 109.5° | 109.5° |
| C38 | C41 | H47 | 109.5° | 109.5° |
| C38 | C1 | C34 | 118.7° | 119.7° |
| C38 | C1 | C2 | 122.2° | 120.2° |
| C34 | C1 | C2 | 118.9° | 120.1° |
| C1 | C34 | H37 | 119.6° | 120.1° |
| C1 | C2 | C3 | 130.4° | 120.1° |
| C1 | C2 | H9 | 114.8° | 120.0° |
| C2 | C3 | C4 | 120.9° | 120.0° |
| C3 | C2 | H9 | 114.8° | 120.0° |
| C2 | C3 | H30 | 119.5° | 120.0° |
| C3 | C4 | C5 | 119.6° | 120.0° |
| C3 | C4 | C25 | 117.7° | 120.0° |
| C4 | C3 | H30 | 119.5° | 120.0° |
| C5 | C4 | C25 | 122.7° | 120.0° |
| C4 | C5 | C6 | 127.0° | 120.0° |
| C4 | C5 | H51 | 116.5° | 120.0° |
| C4 | C25 | H15 | 109.5° | 109.4° |
| C4 | C25 | H16 | 109.5° | 109.5° |
| C4 | C25 | H17 | 109.5° | 109.5° |
| C5 | C6 | C7 | 124.8° | 120.0° |
| C6 | C5 | H51 | 116.5° | 120.0° |
| C5 | C6 | H52 | 117.6° | 120.0° |
| C6 | C7 | C8 | 126.0° | 120.0° |
| C7 | C6 | H52 | 117.6° | 120.0° |
| C6 | C7 | H53 | 117.0° | 120.1° |
| C7 | C8 | C9 | 119.5° | 120.1° |
| C7 | C8 | C26 | 117.8° | 120.0° |
| C8 | C7 | H53 | 117.0° | 119.9° |
| C9 | C8 | C26 | 122.7° | 120.0° |
| C8 | C9 | C10 | 127.2° | 120.0° |
| C8 | C9 | H54 | 116.4° | 120.0° |
| C8 | C26 | H18 | 109.5° | 109.5° |
| C8 | C26 | H19 | 109.4° | 109.4° |
| C8 | C26 | H20 | 109.4° | 109.5° |
| C9 | C10 | C11 | 124.8° | 120.0° |
| C9 | C10 | H1 | 117.6° | 120.0° |
| C10 | C9 | H54 | 116.4° | 120.0° |
| C10 | C11 | C12 | 121.0° | 120.0° |
| C11 | C10 | H1 | 117.6° | 120.0° |
| C10 | C11 | H2 | 119.5° | 120.0° |
| C11 | C12 | C13 | 128.5° | 120.0° |
| C12 | C11 | H2 | 119.5° | 120.0° |
| C11 | C12 | H3 | 115.7° | 120.0° |
| C27 | C13 | C12 | 123.7° | 120.0° |
| C27 | C13 | C14 | 118.6° | 120.0° |
| C13 | C27 | H21 | 109.5° | 109.4° |
| C13 | C27 | H22 | 109.5° | 109.5° |
| C13 | C27 | H23 | 109.5° | 109.4° |
| C12 | C13 | C14 | 117.6° | 120.0° |
| C13 | C12 | H3 | 115.7° | 120.0° |
| C13 | C14 | C15 | 129.4° | 120.0° |
| C13 | C14 | H4 | 115.3° | 119.9° |
| C14 | C15 | C16 | 118.8° | 120.0° |
| C15 | C14 | H4 | 115.3° | 120.0° |
| C14 | C15 | H5 | 120.6° | 120.0° |
| C15 | C16 | C17 | 128.7° | 120.0° |
| C16 | C15 | H5 | 120.6° | 120.0° |
| C15 | C16 | H6 | 115.7° | 120.0° |
| C16 | C17 | C28 | 123.5° | 120.0° |
| C16 | C17 | C18 | 118.0° | 120.0° |
| C17 | C16 | H6 | 115.6° | 120.0° |
| C28 | C17 | C18 | 118.4° | 120.0° |
| C17 | C28 | H24 | 109.5° | 109.5° |
| C17 | C28 | H25 | 109.4° | 109.5° |
| C17 | C28 | H26 | 109.4° | 109.5° |
| C17 | C18 | C19 | 128.1° | 120.0° |
| C17 | C18 | H7 | 115.9° | 119.9° |
| C18 | C19 | C20 | 121.5° | 120.0° |
| C19 | C18 | H7 | 115.9° | 120.0° |
| C18 | C19 | H8 | 119.3° | 120.0° |
| C19 | C20 | C21 | 127.5° | 120.0° |
| C20 | C19 | H8 | 119.2° | 120.0° |
| C19 | C20 | H10 | 116.2° | 120.0° |
| C20 | C21 | C29 | 123.4° | 120.0° |
| C20 | C21 | C22 | 119.8° | 120.0° |
| C21 | C20 | H10 | 116.3° | 120.0° |
| C29 | C21 | C22 | 116.8° | 120.0° |
| C21 | C29 | H27 | 109.5° | 109.5° |
| C21 | C29 | H28 | 109.4° | 109.5° |
| C21 | C29 | H29 | 109.5° | 109.5° |
| C21 | C22 | O33 | 120.9° | 120.0° |
| C21 | C22 | C23 | 117.6° | 120.0° |
| O33 | C22 | C23 | 121.4° | 120.0° |
| C22 | C23 | C24 | 116.5° | 109.5° |
| C22 | C23 | H11 | 107.7° | 109.5° |
| C22 | C23 | H12 | 107.7° | 109.4° |
| C43 | O42 | C30 | 120.0° | 114.0° |
| O42 | C43 | H48 | 109.5° | 109.5° |
| O42 | C43 | H49 | 109.4° | 109.5° |
| O42 | C43 | H50 | 109.5° | 109.5° |
| C23 | C24 | C30 | 115.5° | 109.5° |
| C24 | C23 | H11 | 107.7° | 109.5° |
| C24 | C23 | H12 | 107.7° | 109.5° |
| C23 | C24 | H13 | 107.9° | 109.5° |
| C23 | C24 | H14 | 107.9° | 109.5° |
| O42 | C30 | C32 | 113.1° | 109.5° |
| O42 | C30 | C24 | 102.2° | 109.4° |
| O42 | C30 | C31 | 106.9° | 109.5° |
| C32 | C30 | C24 | 111.9° | 109.5° |
| C32 | C30 | C31 | 110.7° | 109.5° |
| C30 | C32 | H34 | 109.5° | 109.5° |
| C30 | C32 | H35 | 109.4° | 109.5° |
| C30 | C32 | H36 | 109.5° | 109.5° |
| C24 | C30 | C31 | 111.6° | 109.5° |
| C30 | C24 | H13 | 107.9° | 109.5° |
| C30 | C24 | H14 | 108.0° | 109.4° |
| C30 | C31 | H31 | 109.5° | 109.5° |
| C30 | C31 | H32 | 109.5° | 109.4° |
| C30 | C31 | H33 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.4° | 109.4° |
| H13 | C24 | H14 | 109.5° | 109.4° |
| H15 | C25 | H16 | 109.5° | 109.5° |
| H15 | C25 | H17 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.4° | 109.5° |
| H18 | C26 | H19 | 109.5° | 109.5° |
| H18 | C26 | H20 | 109.5° | 109.5° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H21 | C27 | H23 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.4° | 109.5° |
| H24 | C28 | H25 | 109.5° | 109.4° |
| H24 | C28 | H26 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.4° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| H27 | C29 | H29 | 109.5° | 109.4° |
| H28 | C29 | H29 | 109.5° | 109.5° |
| H31 | C31 | H32 | 109.5° | 109.5° |
| H31 | C31 | H33 | 109.4° | 109.5° |
| H32 | C31 | H33 | 109.5° | 109.5° |
| H34 | C32 | H35 | 109.5° | 109.5° |
| H34 | C32 | H36 | 109.4° | 109.4° |
| H35 | C32 | H36 | 109.5° | 109.5° |
| H39 | C39 | H40 | 109.5° | 109.4° |
| H39 | C39 | H41 | 109.5° | 109.5° |
| H40 | C39 | H41 | 109.5° | 109.5° |
| H42 | C40 | H43 | 109.4° | 109.5° |
| H42 | C40 | H44 | 109.5° | 109.5° |
| H43 | C40 | H44 | 109.5° | 109.5° |
| H45 | C41 | H46 | 109.5° | 109.5° |
| H45 | C41 | H47 | 109.5° | 109.4° |
| H46 | C41 | H47 | 109.5° | 109.5° |
| H48 | C43 | H49 | 109.5° | 109.4° |
| H48 | C43 | H50 | 109.4° | 109.4° |
| H49 | C43 | H50 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C36 | C37 | C39 | 1.3° | 0.2° |
| C40 | C36 | C37 | C35 | 178.8° | 179.7° |
| C40 | C36 | C37 | C38 | 178.6° | 180.0° |
| C40 | C36 | C35 | C34 | 178.4° | 179.7° |
| C40 | C36 | C35 | H38 | 1.6° | 0.3° |
| C36 | C40 | H42 | H43 | 120.0° | 120.0° |
| C36 | C40 | H42 | H44 | 120.0° | 120.0° |
| C36 | C40 | H43 | H44 | 120.0° | 120.0° |
| C39 | C37 | C36 | C38 | 179.9° | 179.8° |
| C39 | C37 | C36 | C35 | 179.9° | 179.9° |
| C39 | C37 | C38 | C41 | 0.7° | 0.2° |
| C39 | C37 | C38 | C1 | 179.9° | 179.7° |
| C37 | C39 | H39 | H40 | 120.0° | 120.0° |
| C37 | C39 | H39 | H41 | 120.0° | 120.0° |
| C37 | C39 | H40 | H41 | 120.0° | 120.1° |
| C37 | C36 | C35 | C34 | 0.4° | 0.0° |
| C36 | C37 | C38 | C41 | 179.4° | 180.0° |
| C36 | C37 | C38 | C1 | 0.0° | 0.5° |
| C37 | C36 | C35 | H38 | 179.6° | 180.0° |
| C36 | C37 | C39 | H39 | 90.0° | 90.0° |
| C36 | C37 | C39 | H40 | 150.0° | 150.0° |
| C36 | C37 | C39 | H41 | 30.0° | 30.0° |
| C37 | C36 | C40 | H42 | 90.6° | 90.0° |
| C37 | C36 | C40 | H43 | 149.4° | 150.0° |
| C37 | C36 | C40 | H44 | 29.4° | 30.0° |
| C35 | C36 | C37 | C38 | 0.1° | 0.3° |
| C36 | C35 | C34 | H38 | 180.0° | 180.0° |
| C36 | C35 | C34 | C1 | 0.6° | 0.0° |
| C36 | C35 | C34 | H37 | 179.5° | 180.0° |
| C35 | C36 | C40 | H42 | 90.6° | 89.7° |
| C35 | C36 | C40 | H43 | 29.4° | 30.3° |
| C35 | C36 | C40 | H44 | 149.4° | 150.3° |
| C37 | C38 | C41 | C1 | 179.4° | 179.5° |
| C37 | C38 | C1 | C34 | 0.1° | 0.5° |
| C37 | C38 | C1 | C2 | 176.2° | 179.7° |
| C38 | C37 | C39 | H39 | 90.0° | 89.8° |
| C38 | C37 | C39 | H40 | 30.0° | 30.2° |
| C38 | C37 | C39 | H41 | 150.0° | 150.2° |
| C37 | C38 | C41 | H45 | 90.3° | 90.0° |
| C37 | C38 | C41 | H46 | 149.7° | 150.0° |
| C37 | C38 | C41 | H47 | 29.7° | 30.0° |
| C35 | C34 | C1 | C38 | 0.4° | 0.2° |
| C35 | C34 | C1 | H37 | 180.0° | 180.0° |
| C35 | C34 | C1 | C2 | 176.1° | 180.0° |
| C41 | C38 | C1 | C34 | 179.5° | 180.0° |
| C41 | C38 | C1 | C2 | 3.1° | 0.2° |
| C38 | C41 | H45 | H46 | 120.0° | 120.0° |
| C38 | C41 | H45 | H47 | 120.0° | 120.0° |
| C38 | C41 | H46 | H47 | 120.0° | 120.0° |
| C38 | C1 | C34 | C2 | 176.5° | 179.8° |
| C38 | C1 | C2 | C3 | 54.3° | 179.8° |
| C38 | C1 | C2 | H9 | 125.7° | 0.2° |
| C38 | C1 | C34 | H37 | 179.6° | 179.8° |
| C1 | C38 | C41 | H45 | 90.3° | 90.5° |
| C1 | C38 | C41 | H46 | 29.7° | 29.5° |
| C1 | C38 | C41 | H47 | 149.7° | 149.5° |
| C34 | C1 | C2 | C3 | 129.4° | 0.0° |
| C34 | C1 | C2 | H9 | 50.6° | 180.0° |
| C1 | C34 | C35 | H38 | 179.4° | 180.0° |
| C1 | C2 | C3 | H9 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 163.6° | 180.0° |
| C1 | C2 | C3 | H30 | 16.4° | 0.0° |
| C2 | C1 | C34 | H37 | 3.9° | 0.0° |
| C2 | C3 | C4 | H30 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 165.6° | 180.0° |
| C2 | C3 | C4 | C25 | 14.3° | 0.1° |
| C3 | C4 | C5 | C25 | 179.9° | 179.9° |
| C3 | C4 | C5 | C6 | 178.2° | 180.0° |
| C4 | C3 | C2 | H9 | 16.4° | 0.1° |
| C3 | C4 | C25 | H15 | 180.0° | 90.0° |
| C3 | C4 | C25 | H16 | 60.0° | 150.0° |
| C3 | C4 | C25 | H17 | 60.0° | 29.9° |
| C3 | C4 | C5 | H51 | 1.9° | 0.1° |
| C4 | C5 | C6 | H51 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 178.4° | 180.0° |
| C5 | C4 | C25 | H15 | 0.1° | 90.0° |
| C5 | C4 | C25 | H16 | 120.1° | 29.9° |
| C5 | C4 | C25 | H17 | 119.9° | 150.0° |
| C5 | C4 | C3 | H30 | 14.4° | 0.1° |
| C4 | C5 | C6 | H52 | 1.6° | 0.1° |
| C25 | C4 | C5 | C6 | 2.0° | 0.1° |
| C4 | C25 | H15 | H16 | 120.0° | 120.0° |
| C4 | C25 | H15 | H17 | 120.0° | 120.0° |
| C4 | C25 | H16 | H17 | 120.0° | 120.0° |
| C25 | C4 | C3 | H30 | 165.7° | 180.0° |
| C25 | C4 | C5 | H51 | 178.0° | 180.0° |
| C5 | C6 | C7 | H52 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 179.7° | 180.0° |
| C5 | C6 | C7 | H53 | 0.3° | 0.1° |
| C6 | C7 | C8 | H53 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 167.5° | 180.0° |
| C6 | C7 | C8 | C26 | 11.3° | 0.1° |
| C7 | C6 | C5 | H51 | 1.6° | 0.1° |
| C7 | C8 | C9 | C26 | 178.7° | 180.0° |
| C7 | C8 | C9 | C10 | 178.4° | 180.0° |
| C7 | C8 | C26 | H18 | 180.0° | 90.0° |
| C7 | C8 | C26 | H19 | 60.0° | 150.0° |
| C7 | C8 | C26 | H20 | 60.0° | 30.0° |
| C8 | C7 | C6 | H52 | 0.3° | 0.1° |
| C7 | C8 | C9 | H54 | 1.6° | 0.0° |
| C8 | C9 | C10 | H54 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 178.9° | 180.0° |
| C8 | C9 | C10 | H1 | 1.1° | 0.3° |
| C9 | C8 | C26 | H18 | 1.3° | 90.0° |
| C9 | C8 | C26 | H19 | 121.3° | 30.0° |
| C9 | C8 | C26 | H20 | 118.7° | 150.0° |
| C9 | C8 | C7 | H53 | 12.5° | 0.1° |
| C26 | C8 | C9 | C10 | 0.3° | 0.0° |
| C8 | C26 | H18 | H19 | 120.0° | 120.0° |
| C8 | C26 | H18 | H20 | 120.0° | 120.0° |
| C8 | C26 | H19 | H20 | 120.0° | 120.0° |
| C26 | C8 | C7 | H53 | 168.7° | 179.9° |
| C26 | C8 | C9 | H54 | 179.7° | 180.0° |
| C9 | C10 | C11 | H1 | 180.0° | 179.6° |
| C9 | C10 | C11 | C12 | 179.1° | 179.7° |
| C9 | C10 | C11 | H2 | 0.9° | 0.4° |
| C10 | C11 | C12 | H2 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 178.5° | 180.0° |
| C10 | C11 | C12 | H3 | 1.5° | 0.0° |
| C11 | C10 | C9 | H54 | 1.1° | 0.1° |
| C11 | C12 | C13 | C27 | 2.2° | 0.0° |
| C11 | C12 | C13 | H3 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 174.4° | 180.0° |
| C12 | C11 | C10 | H1 | 0.9° | 0.1° |
| C27 | C13 | C12 | C14 | 176.6° | 180.0° |
| C27 | C13 | C14 | C15 | 5.2° | 0.0° |
| C27 | C13 | C12 | H3 | 177.8° | 180.0° |
| C27 | C13 | C14 | H4 | 174.8° | 180.0° |
| C13 | C27 | H21 | H22 | 120.0° | 120.0° |
| C13 | C27 | H21 | H23 | 120.0° | 119.9° |
| C13 | C27 | H22 | H23 | 120.0° | 119.9° |
| C12 | C13 | C14 | C15 | 171.6° | 180.0° |
| C13 | C12 | C11 | H2 | 1.5° | 0.0° |
| C12 | C13 | C14 | H4 | 8.4° | 0.0° |
| C12 | C13 | C27 | H21 | 180.0° | 90.0° |
| C12 | C13 | C27 | H22 | 60.0° | 150.0° |
| C12 | C13 | C27 | H23 | 60.0° | 30.0° |
| C13 | C14 | C15 | H4 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 179.2° | 180.0° |
| C14 | C13 | C12 | H3 | 5.6° | 0.0° |
| C13 | C14 | C15 | H5 | 0.9° | 0.0° |
| C14 | C13 | C27 | H21 | 3.4° | 90.0° |
| C14 | C13 | C27 | H22 | 116.6° | 30.1° |
| C14 | C13 | C27 | H23 | 123.4° | 150.0° |
| C14 | C15 | C16 | H5 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 179.3° | 180.0° |
| C14 | C15 | C16 | H6 | 0.7° | 0.1° |
| C15 | C16 | C17 | H6 | 180.0° | 179.9° |
| C15 | C16 | C17 | C28 | 2.1° | 0.0° |
| C15 | C16 | C17 | C18 | 174.9° | 180.0° |
| C16 | C15 | C14 | H4 | 0.9° | 0.0° |
| C16 | C17 | C28 | C18 | 177.0° | 180.0° |
| C16 | C17 | C18 | C19 | 173.6° | 180.0° |
| C17 | C16 | C15 | H5 | 0.7° | 0.1° |
| C16 | C17 | C18 | H7 | 6.4° | 0.0° |
| C16 | C17 | C28 | H24 | 180.0° | 90.0° |
| C16 | C17 | C28 | H25 | 60.0° | 150.0° |
| C16 | C17 | C28 | H26 | 60.0° | 30.0° |
| C28 | C17 | C18 | C19 | 3.5° | 0.0° |
| C28 | C17 | C16 | H6 | 177.9° | 180.0° |
| C28 | C17 | C18 | H7 | 176.5° | 180.0° |
| C17 | C28 | H24 | H25 | 120.0° | 120.0° |
| C17 | C28 | H24 | H26 | 120.0° | 120.1° |
| C17 | C28 | H25 | H26 | 119.9° | 120.0° |
| C17 | C18 | C19 | H7 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 179.3° | 180.0° |
| C18 | C17 | C16 | H6 | 5.1° | 0.0° |
| C17 | C18 | C19 | H8 | 0.7° | 0.0° |
| C18 | C17 | C28 | H24 | 3.0° | 89.9° |
| C18 | C17 | C28 | H25 | 117.0° | 30.0° |
| C18 | C17 | C28 | H26 | 123.1° | 150.0° |
| C18 | C19 | C20 | H8 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 179.1° | 180.0° |
| C18 | C19 | C20 | H10 | 0.9° | 0.0° |
| C19 | C20 | C21 | H10 | 180.0° | 179.9° |
| C19 | C20 | C21 | C29 | 0.1° | 0.1° |
| C19 | C20 | C21 | C22 | 179.0° | 180.0° |
| C20 | C19 | C18 | H7 | 0.8° | 0.0° |
| C20 | C21 | C29 | C22 | 178.9° | 179.9° |
| C20 | C21 | C22 | O33 | 2.9° | 0.0° |
| C20 | C21 | C22 | C23 | 177.9° | 180.0° |
| C21 | C20 | C19 | H8 | 0.9° | 0.0° |
| C20 | C21 | C29 | H27 | 180.0° | 89.9° |
| C20 | C21 | C29 | H28 | 60.0° | 150.0° |
| C20 | C21 | C29 | H29 | 60.0° | 30.0° |
| C29 | C21 | C22 | O33 | 178.1° | 180.0° |
| C29 | C21 | C22 | C23 | 1.1° | 0.0° |
| C29 | C21 | C20 | H10 | 180.0° | 180.0° |
| C21 | C29 | H27 | H28 | 120.0° | 120.0° |
| C21 | C29 | H27 | H29 | 120.0° | 120.0° |
| C21 | C29 | H28 | H29 | 120.0° | 120.0° |
| C21 | C22 | O33 | C23 | 179.1° | 180.0° |
| C21 | C22 | C23 | C24 | 165.2° | 180.0° |
| C22 | C21 | C20 | H10 | 1.1° | 0.1° |
| C21 | C22 | C23 | H11 | 44.2° | 60.0° |
| C21 | C22 | C23 | H12 | 73.8° | 60.0° |
| C22 | C21 | C29 | H27 | 1.1° | 90.0° |
| C22 | C21 | C29 | H28 | 118.9° | 30.1° |
| C22 | C21 | C29 | H29 | 121.1° | 150.1° |
| O33 | C22 | C23 | C24 | 15.6° | 0.0° |
| O33 | C22 | C23 | H11 | 136.7° | 120.0° |
| O33 | C22 | C23 | H12 | 105.4° | 120.0° |
| C22 | C23 | C24 | H11 | 121.0° | 120.0° |
| C22 | C23 | C24 | H12 | 121.0° | 120.0° |
| C22 | C23 | C24 | C30 | 77.2° | 180.0° |
| C22 | C23 | H11 | H12 | 116.8° | 120.0° |
| C22 | C23 | C24 | H13 | 161.9° | 60.0° |
| C22 | C23 | C24 | H14 | 43.7° | 60.0° |
| C43 | O42 | C30 | C32 | 12.1° | 60.0° |
| C43 | O42 | C30 | C24 | 132.6° | 180.0° |
| C43 | O42 | C30 | C31 | 110.1° | 60.1° |
| O42 | C43 | H48 | H49 | 120.0° | 120.0° |
| O42 | C43 | H48 | H50 | 120.0° | 120.0° |
| O42 | C43 | H49 | H50 | 120.0° | 120.0° |
| C23 | C24 | C30 | O42 | 67.2° | 65.1° |
| C23 | C24 | C30 | C32 | 54.2° | 55.0° |
| C23 | C24 | C30 | H13 | 120.9° | 120.1° |
| C23 | C24 | C30 | H14 | 120.9° | 120.0° |
| C23 | C24 | C30 | C31 | 178.9° | 175.0° |
| C24 | C23 | H11 | H12 | 116.8° | 120.0° |
| C23 | C24 | H13 | H14 | 117.2° | 120.0° |
| O42 | C30 | C32 | C24 | 114.8° | 120.0° |
| O42 | C30 | C32 | C31 | 120.0° | 120.0° |
| O42 | C30 | C24 | C31 | 113.9° | 120.0° |
| O42 | C30 | C24 | H13 | 172.0° | 55.0° |
| O42 | C30 | C24 | H14 | 53.7° | 175.0° |
| O42 | C30 | C31 | H31 | 180.0° | 180.0° |
| O42 | C30 | C31 | H32 | 60.0° | 60.0° |
| O42 | C30 | C31 | H33 | 60.0° | 60.0° |
| O42 | C30 | C32 | H34 | 180.0° | 60.0° |
| O42 | C30 | C32 | H35 | 60.0° | 60.0° |
| O42 | C30 | C32 | H36 | 60.0° | 180.0° |
| C30 | O42 | C43 | H48 | 180.0° | 180.0° |
| C30 | O42 | C43 | H49 | 60.0° | 60.1° |
| C30 | O42 | C43 | H50 | 60.0° | 59.9° |
| C32 | C30 | C24 | C31 | 124.7° | 120.0° |
| C32 | C30 | C24 | H13 | 66.7° | 175.0° |
| C32 | C30 | C24 | H14 | 175.1° | 65.0° |
| C32 | C30 | C31 | H31 | 56.3° | 60.0° |
| C32 | C30 | C31 | H32 | 176.4° | 60.0° |
| C32 | C30 | C31 | H33 | 63.6° | 180.0° |
| C30 | C32 | H34 | H35 | 120.0° | 120.0° |
| C30 | C32 | H34 | H36 | 120.0° | 120.0° |
| C30 | C32 | H35 | H36 | 120.0° | 120.0° |
| C30 | C24 | C23 | H11 | 43.8° | 59.9° |
| C30 | C24 | C23 | H12 | 161.8° | 60.0° |
| C30 | C24 | H13 | H14 | 117.3° | 119.9° |
| C24 | C30 | C31 | H31 | 69.0° | 60.0° |
| C24 | C30 | C31 | H32 | 51.0° | 180.0° |
| C24 | C30 | C31 | H33 | 171.0° | 60.0° |
| C24 | C30 | C32 | H34 | 65.2° | 60.0° |
| C24 | C30 | C32 | H35 | 174.8° | 180.0° |
| C24 | C30 | C32 | H36 | 54.8° | 60.0° |
| C31 | C30 | C24 | H13 | 58.0° | 64.9° |
| C31 | C30 | C24 | H14 | 60.2° | 55.0° |
| C30 | C31 | H31 | H32 | 120.0° | 120.0° |
| C30 | C31 | H31 | H33 | 120.0° | 120.0° |
| C30 | C31 | H32 | H33 | 120.0° | 120.0° |
| C31 | C30 | C32 | H34 | 60.0° | 180.0° |
| C31 | C30 | C32 | H35 | 60.0° | 60.0° |
| C31 | C30 | C32 | H36 | 180.0° | 60.0° |
| H1 | C10 | C11 | H2 | 179.2° | 180.0° |
| H1 | C10 | C9 | H54 | 178.9° | 179.7° |
| H2 | C11 | C12 | H3 | 178.5° | 179.9° |
| H4 | C14 | C15 | H5 | 179.1° | 179.9° |
| H5 | C15 | C16 | H6 | 179.3° | 180.0° |
| H7 | C18 | C19 | H8 | 179.2° | 179.9° |
| H8 | C19 | C20 | H10 | 179.1° | 179.9° |
| H9 | C2 | C3 | H30 | 163.6° | 180.0° |
| H11 | C23 | C24 | H13 | 77.0° | 180.0° |
| H11 | C23 | C24 | H14 | 164.7° | 60.0° |
| H12 | C23 | C24 | H13 | 40.9° | 60.0° |
| H12 | C23 | C24 | H14 | 77.3° | NaN° |
| H15 | C25 | H16 | H17 | 120.0° | 120.0° |
| H18 | C26 | H19 | H20 | 120.0° | 120.0° |
| H21 | C27 | H22 | H23 | 120.0° | 120.0° |
| H24 | C28 | H25 | H26 | 120.0° | 120.0° |
| H27 | C29 | H28 | H29 | 120.0° | 119.9° |
| H31 | C31 | H32 | H33 | 119.9° | 120.0° |
| H34 | C32 | H35 | H36 | 120.0° | 120.0° |
| H37 | C34 | C35 | H38 | 0.6° | 0.0° |
| H39 | C39 | H40 | H41 | 120.0° | 120.0° |
| H42 | C40 | H43 | H44 | 120.0° | 120.1° |
| H45 | C41 | H46 | H47 | 120.0° | 119.9° |
| H48 | C43 | H49 | H50 | 120.0° | 119.9° |
| H51 | C5 | C6 | H52 | 178.4° | 180.0° |
| H52 | C6 | C7 | H53 | 179.7° | 179.9° |
