O1U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C1 | sing | 1.53Å | 1.54Å | |
| C36 | C21 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | sing | 1.55Å | 1.54Å | |
| C23 | C24 | sing | 1.55Å | 1.54Å | |
| C23 | O23 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.54Å | 1.55Å | |
| C39 | C29 | sing | 1.51Å | 1.51Å | |
| C1 | C16 | sing | 1.53Å | 1.54Å | |
| C1 | C6 | sing | 1.50Å | 1.53Å | |
| C24 | C25 | sing | 1.54Å | 1.54Å | |
| C40 | C33 | sing | 1.51Å | 1.50Å | |
| O3 | C3 | sing | 1.43Å | 1.44Å | |
| C21 | C25 | sing | 1.54Å | 1.59Å | |
| C21 | C37 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.43Å | 1.42Å | |
| C6 | C5 | doub | 1.32Å | 1.35Å | |
| C29 | C30 | doub | 1.38Å | 1.37Å | |
| C29 | C28 | sing | 1.40Å | 1.45Å | |
| C27 | C28 | doub | 1.39Å | 1.39Å | |
| C27 | C26 | sing | 1.39Å | 1.42Å | |
| C7 | C8 | trip | 1.17Å | 1.22Å | |
| C31 | C30 | sing | 1.40Å | 1.42Å | |
| C31 | C32 | doub | 1.38Å | 1.37Å | |
| C8 | C9 | sing | 1.43Å | 1.41Å | |
| C33 | C32 | sing | 1.40Å | 1.43Å | |
| C33 | C34 | doub | 1.38Å | 1.38Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | C38 | sing | 1.53Å | 1.55Å | |
| C9 | C19 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | doub | 1.37Å | 1.36Å | |
| C28 | O28 | sing | 1.35Å | 1.34Å | |
| C10 | C11 | sing | 1.40Å | 1.43Å | |
| C35 | C34 | sing | 1.40Å | 1.42Å | |
| C35 | C15 | doub | 1.38Å | 1.37Å | |
| C4 | C5 | sing | 1.50Å | 1.51Å | |
| C26 | O26 | doub | 1.22Å | 1.27Å | |
| C12 | C11 | doub | 1.38Å | 1.36Å | |
| C12 | C13 | sing | 1.40Å | 1.44Å | |
| C5 | C18 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | doub | 1.38Å | 1.37Å | |
| C14 | C15 | sing | 1.40Å | 1.42Å | |
| C13 | C20 | sing | 1.51Å | 1.50Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | 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 | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| O23 | H33 | sing | 0.97Å | 0.95Å | |
| O28 | H34 | sing | 0.97Å | 0.95Å | |
| C30 | H35 | sing | 1.08Å | 1.08Å | |
| C31 | H36 | sing | 1.08Å | 1.08Å | |
| C32 | H37 | sing | 1.08Å | 1.08Å | |
| C34 | H38 | sing | 1.08Å | 1.08Å | |
| C35 | H39 | sing | 1.08Å | 1.08Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C36 | H43 | sing | 1.09Å | 1.10Å | |
| C36 | H44 | sing | 1.09Å | 1.10Å | |
| C36 | 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 | |
| C40 | H52 | sing | 1.09Å | 1.10Å | |
| C40 | H53 | sing | 1.09Å | 1.10Å | |
| C40 | H54 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C1 | C2 | 107.8° | 109.3° |
| C17 | C1 | C16 | 108.1° | 109.3° |
| C17 | C1 | C6 | 110.2° | 109.4° |
| C1 | C17 | H18 | 109.5° | 109.5° |
| C1 | C17 | H19 | 109.5° | 109.5° |
| C1 | C17 | H20 | 109.4° | 109.5° |
| C36 | C21 | C22 | 109.3° | 110.0° |
| C36 | C21 | C25 | 111.2° | 110.1° |
| C36 | C21 | C37 | 108.8° | 110.0° |
| C21 | C36 | H43 | 109.5° | 109.4° |
| C21 | C36 | H44 | 109.5° | 109.5° |
| C21 | C36 | H45 | 109.5° | 109.5° |
| C22 | C23 | C24 | 105.4° | 102.8° |
| C22 | C23 | O23 | 112.9° | 110.8° |
| C23 | C22 | C21 | 107.5° | 104.2° |
| C23 | C22 | H2 | 110.0° | 110.5° |
| C23 | C22 | H3 | 110.0° | 110.6° |
| C22 | C23 | H4 | 109.5° | 110.8° |
| C24 | C23 | O23 | 108.2° | 110.7° |
| C23 | C24 | C25 | 106.6° | 104.2° |
| C24 | C23 | H4 | 109.5° | 110.7° |
| C23 | C24 | H5 | 110.2° | 110.5° |
| C23 | C24 | H6 | 110.2° | 110.5° |
| O23 | C23 | H4 | 111.0° | 110.8° |
| C23 | O23 | H33 | 109.5° | 114.0° |
| C1 | C2 | C3 | 114.9° | 108.5° |
| C2 | C1 | C16 | 111.3° | 109.3° |
| C2 | C1 | C6 | 110.4° | 110.2° |
| C1 | C2 | H10 | 108.1° | 109.6° |
| C1 | C2 | H11 | 108.1° | 109.7° |
| C2 | C3 | O3 | 109.5° | 109.7° |
| C2 | C3 | C4 | 111.6° | 108.6° |
| C3 | C2 | H10 | 108.1° | 109.6° |
| C3 | C2 | H11 | 108.1° | 109.6° |
| C2 | C3 | H12 | 108.5° | 109.6° |
| C22 | C21 | C25 | 102.3° | 106.6° |
| C22 | C21 | C37 | 111.3° | 110.0° |
| C21 | C22 | H2 | 110.0° | 110.5° |
| C21 | C22 | H3 | 110.0° | 110.5° |
| C39 | C29 | C30 | 123.7° | 120.0° |
| C39 | C29 | C28 | 117.4° | 120.0° |
| C29 | C39 | H49 | 109.5° | 109.5° |
| C29 | C39 | H50 | 109.4° | 109.5° |
| C29 | C39 | H51 | 109.5° | 109.5° |
| C16 | C1 | C6 | 109.0° | 109.4° |
| C1 | C16 | H21 | 109.5° | 109.4° |
| C1 | C16 | H22 | 109.5° | 109.4° |
| C1 | C16 | H23 | 109.5° | 109.5° |
| C1 | C6 | C7 | 115.5° | 118.1° |
| C1 | C6 | C5 | 123.1° | 123.7° |
| C24 | C25 | C21 | 101.2° | 106.6° |
| C24 | C25 | C26 | 116.8° | 110.0° |
| C24 | C25 | C38 | 109.1° | 110.1° |
| C25 | C24 | H5 | 110.2° | 110.4° |
| C25 | C24 | H6 | 110.2° | 110.5° |
| C40 | C33 | C32 | 119.0° | 120.0° |
| C40 | C33 | C34 | 124.0° | 120.0° |
| C33 | C40 | H52 | 109.5° | 109.5° |
| C33 | C40 | H53 | 109.4° | 109.5° |
| C33 | C40 | H54 | 109.4° | 109.4° |
| O3 | C3 | C4 | 109.1° | 109.6° |
| O3 | C3 | H12 | 109.5° | 109.7° |
| C3 | O3 | H13 | 109.5° | 114.0° |
| C25 | C21 | C37 | 113.8° | 110.0° |
| C21 | C25 | C26 | 112.5° | 110.0° |
| C21 | C25 | C38 | 111.5° | 110.0° |
| C21 | C37 | H40 | 109.5° | 109.4° |
| C21 | C37 | H41 | 109.5° | 109.5° |
| C21 | C37 | H42 | 109.5° | 109.5° |
| C3 | C4 | C5 | 115.8° | 110.1° |
| C4 | C3 | H12 | 108.5° | 109.6° |
| C3 | C4 | H14 | 107.8° | 109.4° |
| C3 | C4 | H15 | 107.9° | 109.3° |
| C7 | C6 | C5 | 121.2° | 118.2° |
| C6 | C7 | C8 | 176.8° | 180.0° |
| C6 | C5 | C4 | 123.0° | 123.7° |
| C6 | C5 | C18 | 122.9° | 118.2° |
| C30 | C29 | C28 | 118.9° | 120.0° |
| C29 | C30 | C31 | 128.9° | 120.0° |
| C29 | C30 | H35 | 115.5° | 120.0° |
| C29 | C28 | C27 | 123.6° | 120.0° |
| C29 | C28 | O28 | 117.7° | 120.0° |
| C28 | C27 | C26 | 119.9° | 120.0° |
| C27 | C28 | O28 | 118.7° | 120.0° |
| C28 | C27 | H7 | 120.1° | 120.0° |
| C27 | C26 | C25 | 123.4° | 120.0° |
| C27 | C26 | O26 | 118.1° | 120.0° |
| C26 | C27 | H7 | 120.1° | 120.0° |
| C7 | C8 | C9 | 175.7° | 180.0° |
| C30 | C31 | C32 | 121.6° | 120.0° |
| C31 | C30 | H35 | 115.5° | 120.0° |
| C30 | C31 | H36 | 119.2° | 120.0° |
| C31 | C32 | C33 | 127.7° | 120.0° |
| C32 | C31 | H36 | 119.2° | 120.0° |
| C31 | C32 | H37 | 116.2° | 120.0° |
| C8 | C9 | C19 | 111.7° | 120.0° |
| C8 | C9 | C10 | 122.7° | 120.0° |
| C32 | C33 | C34 | 117.0° | 120.0° |
| C33 | C32 | H37 | 116.1° | 120.0° |
| C33 | C34 | C35 | 129.0° | 120.0° |
| C33 | C34 | H38 | 115.5° | 120.0° |
| C26 | C25 | C38 | 105.8° | 110.0° |
| C25 | C26 | O26 | 118.3° | 120.0° |
| C25 | C38 | H46 | 109.5° | 109.5° |
| C25 | C38 | H47 | 109.5° | 109.5° |
| C25 | C38 | H48 | 109.5° | 109.5° |
| C19 | C9 | C10 | 125.6° | 120.0° |
| C9 | C19 | H27 | 109.5° | 109.4° |
| C9 | C19 | H28 | 109.5° | 109.4° |
| C9 | C19 | H29 | 109.4° | 109.5° |
| C9 | C10 | C11 | 124.8° | 119.9° |
| C9 | C10 | H16 | 117.6° | 120.0° |
| C28 | O28 | H34 | 109.5° | 114.0° |
| C10 | C11 | C12 | 124.5° | 120.0° |
| C10 | C11 | H8 | 117.7° | 120.1° |
| C11 | C10 | H16 | 117.6° | 120.1° |
| C34 | C35 | C15 | 123.2° | 120.0° |
| C35 | C34 | H38 | 115.5° | 120.0° |
| C34 | C35 | H39 | 118.4° | 120.0° |
| C35 | C15 | C14 | 125.3° | 120.0° |
| C35 | C15 | H17 | 117.3° | 120.1° |
| C15 | C35 | H39 | 118.4° | 120.0° |
| C4 | C5 | C18 | 114.1° | 118.1° |
| C5 | C4 | H14 | 107.9° | 109.4° |
| C5 | C4 | H15 | 107.9° | 109.4° |
| C11 | C12 | C13 | 126.9° | 120.0° |
| C12 | C11 | H8 | 117.7° | 120.0° |
| C11 | C12 | H9 | 116.6° | 120.0° |
| C12 | C13 | C14 | 117.8° | 120.0° |
| C12 | C13 | C20 | 118.9° | 120.0° |
| C13 | C12 | H9 | 116.6° | 120.0° |
| C5 | C18 | H24 | 109.5° | 109.5° |
| C5 | C18 | H25 | 109.5° | 109.5° |
| C5 | C18 | H26 | 109.5° | 109.5° |
| C13 | C14 | C15 | 127.4° | 120.1° |
| C14 | C13 | C20 | 123.2° | 119.9° |
| C13 | C14 | H1 | 116.3° | 120.0° |
| C15 | C14 | H1 | 116.3° | 120.0° |
| C14 | C15 | H17 | 117.4° | 119.9° |
| C13 | C20 | H30 | 109.5° | 109.5° |
| C13 | C20 | H31 | 109.5° | 109.4° |
| C13 | C20 | H32 | 109.5° | 109.5° |
| H2 | C22 | H3 | 109.4° | 110.4° |
| H5 | C24 | H6 | 109.5° | 110.5° |
| H10 | C2 | H11 | 109.4° | 109.8° |
| H14 | C4 | H15 | 109.5° | 109.3° |
| H18 | C17 | H19 | 109.4° | 109.5° |
| H18 | C17 | H20 | 109.5° | 109.4° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H21 | C16 | H23 | 109.4° | 109.5° |
| H22 | C16 | H23 | 109.4° | 109.5° |
| H24 | C18 | H25 | 109.4° | 109.5° |
| H24 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.4° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H27 | C19 | H29 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H30 | C20 | H31 | 109.5° | 109.4° |
| H30 | C20 | H32 | 109.5° | 109.5° |
| H31 | C20 | H32 | 109.5° | 109.5° |
| H40 | C37 | H41 | 109.5° | 109.5° |
| H40 | C37 | H42 | 109.5° | 109.5° |
| H41 | C37 | H42 | 109.4° | 109.5° |
| H43 | C36 | H44 | 109.5° | 109.5° |
| H43 | C36 | H45 | 109.5° | 109.4° |
| H44 | C36 | H45 | 109.5° | 109.5° |
| H46 | C38 | H47 | 109.4° | 109.5° |
| H46 | C38 | H48 | 109.5° | 109.4° |
| H47 | C38 | H48 | 109.5° | 109.5° |
| H49 | C39 | H50 | 109.5° | 109.5° |
| H49 | C39 | H51 | 109.4° | 109.4° |
| H50 | C39 | H51 | 109.5° | 109.5° |
| H52 | C40 | H53 | 109.5° | 109.5° |
| H52 | C40 | H54 | 109.5° | 109.5° |
| H53 | C40 | H54 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C1 | C2 | C16 | 118.4° | 119.6° |
| C17 | C1 | C2 | C6 | 120.4° | 120.2° |
| C17 | C1 | C2 | C3 | 165.3° | 170.0° |
| C17 | C1 | C16 | C6 | 119.8° | 119.7° |
| C17 | C1 | C6 | C7 | 47.9° | 42.7° |
| C17 | C1 | C6 | C5 | 137.3° | 137.3° |
| C17 | C1 | C2 | H10 | 44.5° | 50.3° |
| C17 | C1 | C2 | H11 | 73.9° | 70.3° |
| C1 | C17 | H18 | H19 | 120.0° | 120.0° |
| C1 | C17 | H18 | H20 | 120.0° | 120.0° |
| C1 | C17 | H19 | H20 | 120.0° | 120.1° |
| C17 | C1 | C16 | H21 | 180.0° | 179.8° |
| C17 | C1 | C16 | H22 | 60.0° | 60.3° |
| C17 | C1 | C16 | H23 | 60.0° | 59.7° |
| C36 | C21 | C22 | C23 | 88.5° | 95.7° |
| C36 | C21 | C22 | C25 | 117.9° | 119.3° |
| C36 | C21 | C22 | C37 | 120.2° | 121.4° |
| C36 | C21 | C25 | C24 | 76.4° | 119.3° |
| C36 | C21 | C25 | C37 | 123.3° | 121.4° |
| C36 | C21 | C25 | C26 | 49.0° | 0.0° |
| C36 | C21 | C25 | C38 | 167.7° | 121.4° |
| C36 | C21 | C22 | H2 | 31.2° | 145.6° |
| C36 | C21 | C22 | H3 | 151.8° | 23.1° |
| C36 | C21 | C37 | H40 | 180.0° | 61.4° |
| C36 | C21 | C37 | H41 | 60.0° | 58.6° |
| C36 | C21 | C37 | H42 | 60.0° | 178.6° |
| C21 | C36 | H43 | H44 | 120.0° | 120.1° |
| C21 | C36 | H43 | H45 | 120.0° | 120.0° |
| C21 | C36 | H44 | H45 | 120.0° | 120.1° |
| C22 | C23 | C24 | O23 | 121.1° | 118.3° |
| C22 | C23 | C24 | H4 | 117.7° | 118.3° |
| C22 | C23 | O23 | H4 | 123.5° | 123.4° |
| C23 | C22 | C21 | H2 | 119.7° | 118.7° |
| C23 | C22 | C21 | H3 | 119.7° | 118.8° |
| C22 | C23 | C24 | C25 | 19.5° | 37.9° |
| C23 | C22 | C21 | C25 | 29.4° | 23.6° |
| C23 | C22 | C21 | C37 | 151.3° | 142.9° |
| C23 | C22 | H2 | H3 | 120.9° | 122.7° |
| C22 | C23 | C24 | H5 | 139.1° | 80.7° |
| C22 | C23 | C24 | H6 | 100.0° | 156.6° |
| C22 | C23 | O23 | H33 | 180.0° | 180.0° |
| C24 | C23 | O23 | H4 | 120.2° | 123.3° |
| C24 | C23 | C22 | C21 | 6.8° | 37.9° |
| C23 | C24 | C25 | H5 | 119.5° | 118.7° |
| C23 | C24 | C25 | H6 | 119.5° | 118.7° |
| C23 | C24 | C25 | C21 | 37.2° | 23.6° |
| C23 | C24 | C25 | C26 | 159.7° | 95.7° |
| C23 | C24 | C25 | C38 | 80.4° | 142.9° |
| C24 | C23 | C22 | H2 | 126.6° | 80.7° |
| C24 | C23 | C22 | H3 | 112.9° | 156.7° |
| C23 | C24 | H5 | H6 | 121.3° | 122.6° |
| C24 | C23 | O23 | H33 | 63.7° | 66.7° |
| O23 | C23 | C22 | C21 | 124.8° | 156.2° |
| O23 | C23 | C24 | C25 | 101.6° | 156.2° |
| O23 | C23 | C22 | H2 | 115.5° | 37.6° |
| O23 | C23 | C22 | H3 | 5.1° | 85.0° |
| O23 | C23 | C24 | H5 | 18.0° | 37.6° |
| O23 | C23 | C24 | H6 | 138.9° | 85.0° |
| C1 | C2 | C3 | H10 | 120.8° | 119.7° |
| C1 | C2 | C3 | H11 | 120.8° | 119.8° |
| C2 | C1 | C16 | C6 | 122.0° | 120.7° |
| C1 | C2 | C3 | O3 | 174.8° | 172.1° |
| C1 | C2 | C3 | C4 | 53.9° | 68.2° |
| C2 | C1 | C6 | C7 | 166.8° | 162.9° |
| C2 | C1 | C6 | C5 | 18.4° | 17.2° |
| C1 | C2 | H10 | H11 | 117.5° | 120.5° |
| C1 | C2 | C3 | H12 | 65.6° | 51.5° |
| C2 | C1 | C17 | H18 | 180.0° | 59.6° |
| C2 | C1 | C17 | H19 | 60.0° | 60.3° |
| C2 | C1 | C17 | H20 | 60.0° | 179.6° |
| C2 | C1 | C16 | H21 | 61.9° | 60.6° |
| C2 | C1 | C16 | H22 | 58.2° | 59.3° |
| C2 | C1 | C16 | H23 | 178.1° | 179.3° |
| C3 | C2 | C1 | C16 | 76.3° | 70.4° |
| C3 | C2 | C1 | C6 | 44.9° | 49.8° |
| C2 | C3 | O3 | C4 | 122.4° | 119.1° |
| C2 | C3 | O3 | H12 | 118.9° | 120.5° |
| C2 | C3 | C4 | H12 | 119.5° | 119.7° |
| C2 | C3 | C4 | C5 | 34.5° | 49.8° |
| C3 | C2 | H10 | H11 | 117.5° | 120.4° |
| C2 | C3 | O3 | H13 | 180.0° | 180.0° |
| C2 | C3 | C4 | H14 | 86.4° | 70.4° |
| C2 | C3 | C4 | H15 | 155.4° | 170.0° |
| C22 | C21 | C25 | C24 | 40.2° | 0.0° |
| C22 | C21 | C25 | C37 | 120.2° | 119.3° |
| C22 | C21 | C25 | C26 | 165.6° | 119.3° |
| C22 | C21 | C25 | C38 | 75.7° | 119.3° |
| C21 | C22 | H2 | H3 | 120.9° | 122.5° |
| C21 | C22 | C23 | H4 | 110.9° | 80.4° |
| C22 | C21 | C37 | H40 | 59.5° | 177.2° |
| C22 | C21 | C37 | H41 | 179.5° | 62.8° |
| C22 | C21 | C37 | H42 | 60.5° | 57.2° |
| C22 | C21 | C36 | H43 | 180.0° | 65.2° |
| C22 | C21 | C36 | H44 | 60.0° | 54.8° |
| C22 | C21 | C36 | H45 | 60.0° | 174.9° |
| C39 | C29 | C30 | C28 | 179.9° | 180.0° |
| C39 | C29 | C28 | C27 | 1.9° | 7.0° |
| C39 | C29 | C30 | C31 | 2.1° | 4.8° |
| C39 | C29 | C28 | O28 | 178.4° | 173.1° |
| C39 | C29 | C30 | H35 | 177.9° | 175.3° |
| C29 | C39 | H49 | H50 | 120.0° | 120.1° |
| C29 | C39 | H49 | H51 | 120.0° | 120.0° |
| C29 | C39 | H50 | H51 | 120.0° | 120.0° |
| C16 | C1 | C6 | C7 | 70.7° | 76.9° |
| C16 | C1 | C6 | C5 | 104.1° | 103.0° |
| C16 | C1 | C2 | H10 | 162.9° | 170.0° |
| C16 | C1 | C2 | H11 | 44.5° | 49.4° |
| C16 | C1 | C17 | H18 | 59.6° | 60.0° |
| C16 | C1 | C17 | H19 | 60.4° | 180.0° |
| C16 | C1 | C17 | H20 | 179.6° | 60.0° |
| C1 | C16 | H21 | H22 | 120.0° | 119.9° |
| C1 | C16 | H21 | H23 | 120.0° | 120.0° |
| C1 | C16 | H22 | H23 | 120.0° | 120.0° |
| C1 | C6 | C7 | C5 | 174.9° | 180.0° |
| C1 | C6 | C7 | C8 | 51.9° | 111.8° |
| C1 | C6 | C5 | C4 | 1.1° | 0.4° |
| C1 | C6 | C5 | C18 | 177.5° | 179.6° |
| C6 | C1 | C2 | H10 | 75.9° | 69.8° |
| C6 | C1 | C2 | H11 | 165.7° | 169.6° |
| C6 | C1 | C17 | H18 | 59.5° | 179.7° |
| C6 | C1 | C17 | H19 | 179.4° | 60.3° |
| C6 | C1 | C17 | H20 | 60.6° | 59.7° |
| C6 | C1 | C16 | H21 | 60.2° | 60.1° |
| C6 | C1 | C16 | H22 | 179.8° | 180.0° |
| C6 | C1 | C16 | H23 | 59.8° | 60.0° |
| C24 | C25 | C21 | C26 | 125.4° | 119.3° |
| C24 | C25 | C21 | C38 | 115.9° | 119.3° |
| C24 | C25 | C21 | C37 | 160.3° | 119.3° |
| C24 | C25 | C26 | C27 | 2.8° | 175.2° |
| C24 | C25 | C26 | C38 | 121.6° | 121.5° |
| C24 | C25 | C26 | O26 | 172.7° | 4.9° |
| C25 | C24 | C23 | H4 | 137.3° | 80.4° |
| C25 | C24 | H5 | H6 | 121.3° | 122.6° |
| C24 | C25 | C38 | H46 | 180.0° | 57.2° |
| C24 | C25 | C38 | H47 | 60.0° | 62.9° |
| C24 | C25 | C38 | H48 | 60.0° | 177.1° |
| C40 | C33 | C32 | C31 | 9.6° | 0.1° |
| C40 | C33 | C32 | C34 | 179.8° | 179.9° |
| C40 | C33 | C34 | C35 | 3.3° | 0.1° |
| C40 | C33 | C32 | H37 | 170.4° | 180.0° |
| C40 | C33 | C34 | H38 | 176.7° | 180.0° |
| C33 | C40 | H52 | H53 | 120.0° | 120.0° |
| C33 | C40 | H52 | H54 | 120.0° | 120.0° |
| C33 | C40 | H53 | H54 | 120.0° | 120.0° |
| O3 | C3 | C4 | H12 | 119.3° | 120.5° |
| O3 | C3 | C4 | C5 | 155.7° | 169.6° |
| O3 | C3 | C2 | H10 | 54.0° | 68.2° |
| O3 | C3 | C2 | H11 | 64.4° | 52.3° |
| O3 | C3 | C4 | H14 | 34.7° | 49.4° |
| O3 | C3 | C4 | H15 | 83.4° | 70.2° |
| C21 | C25 | C26 | C27 | 113.6° | 67.6° |
| C21 | C25 | C26 | C38 | 122.0° | 121.4° |
| C21 | C25 | C26 | O26 | 70.9° | 112.3° |
| C25 | C21 | C22 | H2 | 149.2° | 95.1° |
| C25 | C21 | C22 | H3 | 90.3° | 142.4° |
| C21 | C25 | C24 | H5 | 156.7° | 95.1° |
| C21 | C25 | C24 | H6 | 82.3° | 142.3° |
| C25 | C21 | C37 | H40 | 55.4° | 60.0° |
| C25 | C21 | C37 | H41 | 64.6° | 180.0° |
| C25 | C21 | C37 | H42 | 175.5° | 60.0° |
| C25 | C21 | C36 | H43 | 67.8° | 52.0° |
| C25 | C21 | C36 | H44 | 52.2° | 172.0° |
| C25 | C21 | C36 | H45 | 172.2° | 68.0° |
| C21 | C25 | C38 | H46 | 69.0° | 60.0° |
| C21 | C25 | C38 | H47 | 51.0° | 180.0° |
| C21 | C25 | C38 | H48 | 170.9° | 60.0° |
| C37 | C21 | C25 | C26 | 74.2° | 121.4° |
| C37 | C21 | C25 | C38 | 44.4° | 0.0° |
| C37 | C21 | C22 | H2 | 89.0° | 24.2° |
| C37 | C21 | C22 | H3 | 31.6° | 98.3° |
| C21 | C37 | H40 | H41 | 120.0° | 120.0° |
| C21 | C37 | H40 | H42 | 120.0° | 120.0° |
| C21 | C37 | H41 | H42 | 120.0° | 120.0° |
| C37 | C21 | C36 | H43 | 58.2° | 173.4° |
| C37 | C21 | C36 | H44 | 178.2° | 66.5° |
| C37 | C21 | C36 | H45 | 61.8° | 53.5° |
| C3 | C4 | C5 | C6 | 9.2° | 17.2° |
| C3 | C4 | C5 | H14 | 120.9° | 120.2° |
| C3 | C4 | C5 | H15 | 120.9° | 120.2° |
| C3 | C4 | C5 | C18 | 169.5° | 162.8° |
| C4 | C3 | C2 | H10 | 66.9° | 51.5° |
| C4 | C3 | C2 | H11 | 174.7° | 172.0° |
| C4 | C3 | O3 | H13 | 57.5° | 61.0° |
| C3 | C4 | H14 | H15 | 117.1° | 119.7° |
| C6 | C7 | C8 | C9 | 102.2° | 106.5° |
| C7 | C6 | C5 | C4 | 175.6° | 179.6° |
| C7 | C6 | C5 | C18 | 3.0° | 0.4° |
| C5 | C6 | C7 | C8 | 123.0° | 68.2° |
| C6 | C5 | C4 | C18 | 178.7° | 180.0° |
| C6 | C5 | C4 | H14 | 111.7° | 103.0° |
| C6 | C5 | C4 | H15 | 130.2° | 137.4° |
| C6 | C5 | C18 | H24 | 180.0° | 180.0° |
| C6 | C5 | C18 | H25 | 60.0° | 60.0° |
| C6 | C5 | C18 | H26 | 60.0° | 60.0° |
| C30 | C29 | C28 | C27 | 178.1° | 173.0° |
| C29 | C30 | C31 | H35 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 173.7° | 179.9° |
| C30 | C29 | C28 | O28 | 1.6° | 7.0° |
| C29 | C30 | C31 | H36 | 6.3° | 0.1° |
| C30 | C29 | C39 | H49 | 180.0° | 90.0° |
| C30 | C29 | C39 | H50 | 60.0° | 150.0° |
| C30 | C29 | C39 | H51 | 60.0° | 30.0° |
| C29 | C28 | C27 | O28 | 179.7° | 180.0° |
| C29 | C28 | C27 | C26 | 179.6° | 180.0° |
| C28 | C29 | C30 | C31 | 178.0° | 175.2° |
| C29 | C28 | C27 | H7 | 0.4° | 0.1° |
| C29 | C28 | O28 | H34 | 179.9° | 5.0° |
| C28 | C29 | C30 | H35 | 2.0° | 4.7° |
| C28 | C29 | C39 | H49 | 0.1° | 90.0° |
| C28 | C29 | C39 | H50 | 120.1° | 30.0° |
| C28 | C29 | C39 | H51 | 119.9° | 150.0° |
| C28 | C27 | C26 | H7 | 180.0° | 179.8° |
| C28 | C27 | C26 | C25 | 175.0° | 174.6° |
| C28 | C27 | C26 | O26 | 0.6° | 5.3° |
| C27 | C28 | O28 | H34 | 0.4° | 174.9° |
| C27 | C26 | C25 | O26 | 175.5° | 179.9° |
| C27 | C26 | C25 | C38 | 124.4° | 53.8° |
| C26 | C27 | C28 | O28 | 0.7° | 0.1° |
| C7 | C8 | C9 | C19 | 119.1° | 38.3° |
| C7 | C8 | C9 | C10 | 63.0° | 141.7° |
| C30 | C31 | C32 | H36 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 174.8° | 180.0° |
| C30 | C31 | C32 | H37 | 5.2° | 0.1° |
| C31 | C32 | C33 | H37 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 170.2° | 180.0° |
| C32 | C31 | C30 | H35 | 6.3° | 0.0° |
| C8 | C9 | C19 | C10 | 177.9° | 180.0° |
| C8 | C9 | C10 | C11 | 176.3° | 180.0° |
| C8 | C9 | C10 | H16 | 3.7° | 0.0° |
| C8 | C9 | C19 | H27 | 180.0° | 90.0° |
| C8 | C9 | C19 | H28 | 60.0° | 150.0° |
| C8 | C9 | C19 | H29 | 60.0° | 30.0° |
| C32 | C33 | C34 | C35 | 176.9° | 180.0° |
| C33 | C32 | C31 | H36 | 5.2° | 0.0° |
| C32 | C33 | C34 | H38 | 3.1° | 0.1° |
| C32 | C33 | C40 | H52 | 180.0° | 90.0° |
| C32 | C33 | C40 | H53 | 60.0° | 150.0° |
| C32 | C33 | C40 | H54 | 60.0° | 30.0° |
| C33 | C34 | C35 | H38 | 180.0° | 179.9° |
| C33 | C34 | C35 | C15 | 178.0° | 180.0° |
| C34 | C33 | C32 | H37 | 9.8° | 0.1° |
| C33 | C34 | C35 | H39 | 2.0° | 0.0° |
| C34 | C33 | C40 | H52 | 0.2° | 90.0° |
| C34 | C33 | C40 | H53 | 120.2° | 30.1° |
| C34 | C33 | C40 | H54 | 119.8° | 150.0° |
| C26 | C25 | C24 | H5 | 80.8° | 145.6° |
| C26 | C25 | C24 | H6 | 40.1° | 23.0° |
| C25 | C26 | C27 | H7 | 5.0° | 5.5° |
| C26 | C25 | C38 | H46 | 53.6° | 178.6° |
| C26 | C25 | C38 | H47 | 173.5° | 58.6° |
| C26 | C25 | C38 | H48 | 66.5° | 61.4° |
| C38 | C25 | C26 | O26 | 51.1° | 126.3° |
| C38 | C25 | C24 | H5 | 39.1° | 24.2° |
| C38 | C25 | C24 | H6 | 160.0° | 98.4° |
| C25 | C38 | H46 | H47 | 120.0° | 120.0° |
| C25 | C38 | H46 | H48 | 120.0° | 120.0° |
| C25 | C38 | H47 | H48 | 120.0° | 120.0° |
| C19 | C9 | C10 | C11 | 1.3° | 0.0° |
| C19 | C9 | C10 | H16 | 178.7° | 180.0° |
| C9 | C19 | H27 | H28 | 120.0° | 120.0° |
| C9 | C19 | H27 | H29 | 120.0° | 120.0° |
| C9 | C19 | H28 | H29 | 120.0° | 120.0° |
| C9 | C10 | C11 | H16 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 171.8° | 180.0° |
| C9 | C10 | C11 | H8 | 8.2° | 0.0° |
| C10 | C9 | C19 | H27 | 2.2° | 90.0° |
| C10 | C9 | C19 | H28 | 122.2° | 30.0° |
| C10 | C9 | C19 | H29 | 117.9° | 150.0° |
| O28 | C28 | C27 | H7 | 179.3° | 179.9° |
| C10 | C11 | C12 | H8 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 171.3° | 180.0° |
| C10 | C11 | C12 | H9 | 8.8° | 0.0° |
| C34 | C35 | C15 | H39 | 180.0° | 180.0° |
| C34 | C35 | C15 | C14 | 168.8° | 179.9° |
| C34 | C35 | C15 | H17 | 11.1° | 0.0° |
| C35 | C15 | C14 | C13 | 164.3° | 180.0° |
| C35 | C15 | C14 | H17 | 180.0° | 179.9° |
| C35 | C15 | C14 | H1 | 15.7° | 0.2° |
| C15 | C35 | C34 | H38 | 2.0° | 0.1° |
| C5 | C4 | C3 | H12 | 85.0° | 69.9° |
| C5 | C4 | H14 | H15 | 117.1° | 119.7° |
| C4 | C5 | C18 | H24 | 1.2° | 0.0° |
| C4 | C5 | C18 | H25 | 118.7° | 120.0° |
| C4 | C5 | C18 | H26 | 121.3° | 120.0° |
| O26 | C26 | C27 | H7 | 179.4° | 174.5° |
| C11 | C12 | C13 | H9 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 176.2° | 180.0° |
| C11 | C12 | C13 | C20 | 1.5° | 0.1° |
| C12 | C11 | C10 | H16 | 8.1° | 0.0° |
| C12 | C13 | C14 | C20 | 177.6° | 179.9° |
| C12 | C13 | C14 | C15 | 176.8° | 179.9° |
| C12 | C13 | C14 | H1 | 3.2° | 0.3° |
| C13 | C12 | C11 | H8 | 8.7° | 0.1° |
| C12 | C13 | C20 | H30 | 180.0° | 89.9° |
| C12 | C13 | C20 | H31 | 60.0° | 30.0° |
| C12 | C13 | C20 | H32 | 60.0° | 150.0° |
| C18 | C5 | C4 | H14 | 69.5° | 77.0° |
| C18 | C5 | C4 | H15 | 48.6° | 42.6° |
| C5 | C18 | H24 | H25 | 120.0° | 120.0° |
| C5 | C18 | H24 | H26 | 120.0° | 120.0° |
| C5 | C18 | H25 | H26 | 120.0° | 120.0° |
| C13 | C14 | C15 | H1 | 180.0° | 179.7° |
| C14 | C13 | C12 | H9 | 3.8° | 0.0° |
| C13 | C14 | C15 | H17 | 15.7° | 0.0° |
| C14 | C13 | C20 | H30 | 2.4° | 90.0° |
| C14 | C13 | C20 | H31 | 122.5° | 150.1° |
| C14 | C13 | C20 | H32 | 117.6° | 30.0° |
| C15 | C14 | C13 | C20 | 5.6° | 0.0° |
| C14 | C15 | C35 | H39 | 11.2° | 0.1° |
| C20 | C13 | C14 | H1 | 174.4° | 179.7° |
| C20 | C13 | C12 | H9 | 178.5° | 180.0° |
| C13 | C20 | H30 | H31 | 120.0° | 119.9° |
| C13 | C20 | H30 | H32 | 120.0° | 120.0° |
| C13 | C20 | H31 | H32 | 120.0° | 120.0° |
| H1 | C14 | C15 | H17 | 164.3° | 179.7° |
| H2 | C22 | C23 | H4 | 8.8° | 160.9° |
| H3 | C22 | C23 | H4 | 129.4° | 38.4° |
| H4 | C23 | C24 | H5 | 103.2° | 161.0° |
| H4 | C23 | C24 | H6 | 17.7° | 38.3° |
| H4 | C23 | O23 | H33 | 56.5° | 56.6° |
| H8 | C11 | C12 | H9 | 171.3° | 179.9° |
| H8 | C11 | C10 | H16 | 171.8° | 179.9° |
| H10 | C2 | C3 | H12 | 173.6° | 171.2° |
| H11 | C2 | C3 | H12 | 55.2° | 68.2° |
| H12 | C3 | O3 | H13 | 61.1° | 59.5° |
| H12 | C3 | C4 | H14 | 154.0° | 169.9° |
| H12 | C3 | C4 | H15 | 35.9° | 50.3° |
| H17 | C15 | C35 | H39 | 168.9° | 180.0° |
| H18 | C17 | H19 | H20 | 120.0° | 120.0° |
| H21 | C16 | H22 | H23 | 119.9° | 120.1° |
| H24 | C18 | H25 | H26 | 120.0° | 120.0° |
| H27 | C19 | H28 | H29 | 120.0° | 120.0° |
| H30 | C20 | H31 | H32 | 120.0° | 120.0° |
| H35 | C30 | C31 | H36 | 173.7° | 180.0° |
| H36 | C31 | C32 | H37 | 174.8° | 179.9° |
| H38 | C34 | C35 | H39 | 178.0° | 179.9° |
| H40 | C37 | H41 | H42 | 120.0° | 120.0° |
| H43 | C36 | H44 | H45 | 120.0° | 119.9° |
| H46 | C38 | H47 | H48 | 120.0° | 119.9° |
| H49 | C39 | H50 | H51 | 120.0° | 119.9° |
| H52 | C40 | H53 | H54 | 120.0° | 120.1° |
