OP8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C52 | O50 | sing | 1.43Å | 1.43Å | |
| O50 | C48 | sing | 1.43Å | 1.43Å | |
| C28 | C23 | sing | 1.54Å | 1.55Å | |
| C28 | C33 | sing | 1.53Å | 1.55Å | |
| C48 | C47 | sing | 1.53Å | 1.55Å | |
| C48 | C49 | sing | 1.53Å | 1.54Å | |
| O32 | C27 | doub | 1.21Å | 1.22Å | |
| C47 | C46 | sing | 1.53Å | 1.55Å | |
| C23 | C27 | sing | 1.51Å | 1.50Å | |
| C23 | N20 | sing | 1.47Å | 1.47Å | |
| C33 | C29 | sing | 1.52Å | 1.56Å | |
| O51 | C49 | sing | 1.43Å | 1.43Å | |
| C49 | C54 | sing | 1.53Å | 1.55Å | |
| O21 | C16 | doub | 1.22Å | 1.22Å | |
| C27 | O31 | sing | 1.34Å | 1.34Å | |
| N20 | C16 | sing | 1.34Å | 1.36Å | |
| N20 | C24 | sing | 1.47Å | 1.47Å | |
| C16 | C12 | sing | 1.49Å | 1.46Å | |
| C29 | C24 | sing | 1.52Å | 1.54Å | |
| C46 | C43 | sing | 1.51Å | 1.51Å | |
| C46 | C55 | sing | 1.53Å | 1.55Å | |
| C43 | C40 | doub | 1.31Å | 1.34Å | |
| O31 | C36 | sing | 1.45Å | 1.44Å | |
| C54 | C55 | sing | 1.53Å | 1.55Å | |
| O17 | C12 | doub | 1.20Å | 1.22Å | |
| C36 | C40 | sing | 1.51Å | 1.51Å | |
| C36 | C41 | sing | 1.53Å | 1.54Å | |
| C12 | C7 | sing | 1.51Å | 1.51Å | |
| C40 | C44 | sing | 1.51Å | 1.52Å | |
| C15 | C10 | sing | 1.53Å | 1.55Å | |
| C45 | C41 | sing | 1.53Å | 1.56Å | |
| O56 | C42 | sing | 1.43Å | 1.44Å | |
| C10 | C7 | sing | 1.53Å | 1.56Å | |
| C10 | C5 | sing | 1.53Å | 1.56Å | |
| C7 | O13 | sing | 1.43Å | 1.43Å | |
| C7 | O3 | sing | 1.43Å | 1.43Å | |
| C41 | C42 | sing | 1.52Å | 1.57Å | |
| C42 | C37 | sing | 1.53Å | 1.54Å | |
| O3 | C1 | sing | 1.43Å | 1.43Å | |
| C5 | C2 | sing | 1.53Å | 1.55Å | |
| C37 | C34 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C4 | sing | 1.53Å | 1.54Å | |
| C2 | O6 | sing | 1.43Å | 1.43Å | |
| C8 | C4 | sing | 1.52Å | 1.55Å | |
| C8 | C14 | sing | 1.53Å | 1.56Å | |
| C19 | C14 | sing | 1.53Å | 1.55Å | |
| C4 | O9 | sing | 1.43Å | 1.43Å | |
| C14 | C18 | sing | 1.53Å | 1.56Å | |
| O38 | C34 | doub | 1.21Å | 1.22Å | |
| C34 | C30 | sing | 1.51Å | 1.51Å | |
| O6 | C11 | sing | 1.43Å | 1.44Å | |
| C26 | C22 | sing | 1.53Å | 1.54Å | |
| O9 | C53 | sing | 1.43Å | 1.44Å | |
| C18 | C22 | sing | 1.53Å | 1.53Å | |
| C30 | C25 | sing | 1.53Å | 1.55Å | |
| C30 | C35 | sing | 1.53Å | 1.55Å | |
| C22 | C25 | sing | 1.52Å | 1.57Å | |
| C22 | O57 | sing | 1.44Å | 1.41Å | |
| C25 | O57 | sing | 1.43Å | 1.41Å | |
| C39 | C35 | sing | 1.53Å | 1.55Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C41 | H3 | sing | 1.10Å | 1.10Å | |
| C42 | H4 | sing | 1.10Å | 1.10Å | |
| C43 | H5 | sing | 1.08Å | 1.08Å | |
| C44 | H6 | sing | 1.09Å | 1.10Å | |
| C44 | H7 | sing | 1.09Å | 1.10Å | |
| C44 | H8 | sing | 1.09Å | 1.10Å | |
| C45 | H9 | sing | 1.09Å | 1.10Å | |
| C45 | H10 | sing | 1.09Å | 1.10Å | |
| C45 | H11 | sing | 1.09Å | 1.10Å | |
| C46 | H12 | sing | 1.09Å | 1.10Å | |
| C47 | H13 | sing | 1.09Å | 1.10Å | |
| C47 | H14 | sing | 1.09Å | 1.10Å | |
| C48 | H15 | sing | 1.09Å | 1.10Å | |
| C49 | H16 | sing | 1.09Å | 1.10Å | |
| C52 | H17 | sing | 1.09Å | 1.10Å | |
| C52 | H18 | sing | 1.09Å | 1.10Å | |
| C52 | H19 | sing | 1.09Å | 1.10Å | |
| C53 | H20 | sing | 1.09Å | 1.10Å | |
| C53 | H21 | sing | 1.09Å | 1.10Å | |
| C53 | H22 | sing | 1.09Å | 1.10Å | |
| C55 | H23 | sing | 1.09Å | 1.10Å | |
| C55 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C4 | H49 | sing | 1.10Å | 1.10Å | |
| C5 | H50 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C8 | H52 | sing | 1.10Å | 1.10Å | |
| C8 | H53 | sing | 1.10Å | 1.10Å | |
| C10 | H54 | sing | 1.09Å | 1.10Å | |
| O13 | H55 | sing | 0.97Å | 0.95Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H58 | sing | 1.09Å | 1.10Å | |
| C35 | H59 | sing | 1.09Å | 1.10Å | |
| C36 | H60 | sing | 1.09Å | 1.10Å | |
| C37 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | H62 | sing | 1.09Å | 1.10Å | |
| C39 | H63 | sing | 1.09Å | 1.10Å | |
| C39 | H64 | sing | 1.09Å | 1.10Å | |
| C39 | H65 | sing | 1.09Å | 1.10Å | |
| O51 | H66 | sing | 0.97Å | 0.95Å | |
| C54 | H67 | sing | 1.09Å | 1.10Å | |
| C54 | H68 | sing | 1.09Å | 1.10Å | |
| O56 | H69 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C52 | O50 | C48 | 113.5° | 114.0° |
| O50 | C52 | H17 | 109.5° | 109.5° |
| O50 | C52 | H18 | 109.5° | 109.5° |
| O50 | C52 | H19 | 109.4° | 109.5° |
| O50 | C48 | C47 | 106.9° | 109.4° |
| O50 | C48 | C49 | 107.5° | 109.5° |
| O50 | C48 | H15 | 111.6° | 109.5° |
| C23 | C28 | C33 | 110.7° | 108.2° |
| C28 | C23 | C27 | 110.5° | 108.8° |
| C28 | C23 | N20 | 107.9° | 109.3° |
| C28 | C23 | H37 | 106.8° | 109.2° |
| C23 | C28 | H44 | 109.2° | 109.4° |
| C23 | C28 | H45 | 109.2° | 109.9° |
| C28 | C33 | C29 | 111.0° | 110.7° |
| C33 | C28 | H44 | 109.2° | 109.6° |
| C33 | C28 | H45 | 109.1° | 110.1° |
| C28 | C33 | H56 | 109.1° | 109.3° |
| C28 | C33 | H57 | 109.1° | 109.1° |
| C47 | C48 | C49 | 110.7° | 109.5° |
| C48 | C47 | C46 | 112.8° | 109.5° |
| C48 | C47 | H13 | 108.6° | 109.5° |
| C48 | C47 | H14 | 108.6° | 109.5° |
| C47 | C48 | H15 | 110.0° | 109.4° |
| C48 | C49 | O51 | 108.1° | 109.5° |
| C48 | C49 | C54 | 111.2° | 109.5° |
| C49 | C48 | H15 | 110.1° | 109.5° |
| C48 | C49 | H16 | 109.6° | 109.4° |
| O32 | C27 | C23 | 119.2° | 119.8° |
| O32 | C27 | O31 | 123.6° | 121.0° |
| C47 | C46 | C43 | 107.9° | 109.5° |
| C47 | C46 | C55 | 109.6° | 109.5° |
| C47 | C46 | H12 | 109.6° | 109.5° |
| C46 | C47 | H13 | 108.6° | 109.5° |
| C46 | C47 | H14 | 108.6° | 109.4° |
| C27 | C23 | N20 | 116.1° | 110.6° |
| C23 | C27 | O31 | 117.2° | 119.3° |
| C27 | C23 | H37 | 107.4° | 109.5° |
| C23 | N20 | C16 | 117.2° | 120.0° |
| C23 | N20 | C24 | 120.5° | 119.0° |
| N20 | C23 | H37 | 107.7° | 109.4° |
| C33 | C29 | C24 | 110.4° | 112.1° |
| C33 | C29 | H46 | 109.2° | 108.9° |
| C33 | C29 | H47 | 109.2° | 109.0° |
| C29 | C33 | H56 | 109.1° | 109.3° |
| C29 | C33 | H57 | 109.1° | 109.3° |
| O51 | C49 | C54 | 107.3° | 109.5° |
| O51 | C49 | H16 | 111.2° | 109.5° |
| C49 | O51 | H66 | 109.5° | 114.0° |
| C49 | C54 | C55 | 109.8° | 109.5° |
| C54 | C49 | H16 | 109.5° | 109.4° |
| C49 | C54 | H67 | 109.4° | 109.4° |
| C49 | C54 | H68 | 109.4° | 109.4° |
| O21 | C16 | N20 | 122.7° | 119.3° |
| O21 | C16 | C12 | 114.4° | 117.9° |
| C27 | O31 | C36 | 116.9° | 119.4° |
| C16 | N20 | C24 | 122.1° | 120.9° |
| N20 | C16 | C12 | 122.9° | 122.8° |
| N20 | C24 | C29 | 108.2° | 111.2° |
| N20 | C24 | H38 | 109.8° | 110.0° |
| N20 | C24 | H39 | 109.8° | 109.2° |
| C16 | C12 | O17 | 117.2° | 120.3° |
| C16 | C12 | C7 | 120.8° | 119.8° |
| C29 | C24 | H38 | 109.8° | 108.1° |
| C29 | C24 | H39 | 109.8° | 109.3° |
| C24 | C29 | H46 | 109.2° | 108.9° |
| C24 | C29 | H47 | 109.2° | 109.0° |
| C43 | C46 | C55 | 110.1° | 109.5° |
| C46 | C43 | C40 | 128.4° | 120.0° |
| C46 | C43 | H5 | 115.8° | 120.0° |
| C43 | C46 | H12 | 110.1° | 109.4° |
| C46 | C55 | C54 | 110.1° | 109.5° |
| C55 | C46 | H12 | 109.6° | 109.5° |
| C46 | C55 | H23 | 109.3° | 109.5° |
| C46 | C55 | H24 | 109.3° | 109.5° |
| C43 | C40 | C36 | 117.6° | 120.0° |
| C43 | C40 | C44 | 124.0° | 120.0° |
| C40 | C43 | H5 | 115.8° | 120.0° |
| O31 | C36 | C40 | 109.4° | 109.3° |
| O31 | C36 | C41 | 106.5° | 108.9° |
| O31 | C36 | H60 | 110.2° | 110.1° |
| C54 | C55 | H23 | 109.3° | 109.5° |
| C54 | C55 | H24 | 109.3° | 109.4° |
| C55 | C54 | H67 | 109.4° | 109.5° |
| C55 | C54 | H68 | 109.4° | 109.5° |
| O17 | C12 | C7 | 122.0° | 119.8° |
| C40 | C36 | C41 | 112.5° | 108.8° |
| C36 | C40 | C44 | 118.4° | 120.0° |
| C40 | C36 | H60 | 109.3° | 109.5° |
| C36 | C41 | C45 | 108.8° | 109.7° |
| C36 | C41 | C42 | 112.3° | 111.3° |
| C36 | C41 | H3 | 107.1° | 108.4° |
| C41 | C36 | H60 | 108.9° | 110.2° |
| C12 | C7 | C10 | 116.6° | 110.5° |
| C12 | C7 | O13 | 110.0° | 108.7° |
| C12 | C7 | O3 | 101.0° | 108.5° |
| C40 | C44 | H6 | 109.5° | 109.4° |
| C40 | C44 | H7 | 109.5° | 109.5° |
| C40 | C44 | H8 | 109.5° | 109.5° |
| C15 | C10 | C7 | 112.7° | 109.8° |
| C15 | C10 | C5 | 109.7° | 108.3° |
| C10 | C15 | H29 | 109.5° | 109.5° |
| C10 | C15 | H30 | 109.5° | 109.5° |
| C10 | C15 | H31 | 109.4° | 109.5° |
| C15 | C10 | H54 | 107.8° | 109.3° |
| C45 | C41 | C42 | 114.5° | 110.2° |
| C45 | C41 | H3 | 106.9° | 108.4° |
| C41 | C45 | H9 | 109.5° | 109.5° |
| C41 | C45 | H10 | 109.5° | 109.4° |
| C41 | C45 | H11 | 109.5° | 109.5° |
| O56 | C42 | C41 | 112.6° | 110.0° |
| O56 | C42 | C37 | 110.4° | 109.3° |
| O56 | C42 | H4 | 107.7° | 108.4° |
| C42 | O56 | H69 | 109.5° | 114.0° |
| C7 | C10 | C5 | 111.3° | 110.4° |
| C10 | C7 | O13 | 108.9° | 109.3° |
| C10 | C7 | O3 | 109.5° | 110.6° |
| C7 | C10 | H54 | 107.6° | 109.9° |
| C10 | C5 | C2 | 110.3° | 110.5° |
| C10 | C5 | H50 | 109.3° | 109.2° |
| C10 | C5 | H51 | 109.3° | 109.2° |
| C5 | C10 | H54 | 107.6° | 109.3° |
| O13 | C7 | O3 | 110.5° | 109.2° |
| C7 | O13 | H55 | 109.5° | 114.0° |
| C7 | O3 | C1 | 112.9° | 114.8° |
| C41 | C42 | C37 | 113.1° | 111.5° |
| C42 | C41 | H3 | 106.8° | 108.9° |
| C41 | C42 | H4 | 106.1° | 108.8° |
| C42 | C37 | C34 | 112.8° | 109.0° |
| C37 | C42 | H4 | 106.5° | 108.8° |
| C42 | C37 | H61 | 108.6° | 109.5° |
| C42 | C37 | H62 | 108.6° | 110.7° |
| O3 | C1 | C2 | 107.6° | 108.9° |
| O3 | C1 | C4 | 103.7° | 109.4° |
| O3 | C1 | H1 | 110.7° | 109.9° |
| C5 | C2 | C1 | 108.2° | 109.1° |
| C5 | C2 | O6 | 113.0° | 109.4° |
| C5 | C2 | H2 | 109.1° | 109.7° |
| C2 | C5 | H50 | 109.3° | 109.3° |
| C2 | C5 | H51 | 109.2° | 109.5° |
| C37 | C34 | O38 | 122.2° | 120.1° |
| C37 | C34 | C30 | 117.2° | 120.0° |
| C34 | C37 | H61 | 108.6° | 109.2° |
| C34 | C37 | H62 | 108.6° | 109.5° |
| C2 | C1 | C4 | 116.5° | 109.7° |
| C1 | C2 | O6 | 106.5° | 109.4° |
| C2 | C1 | H1 | 109.0° | 109.5° |
| C1 | C2 | H2 | 109.2° | 109.6° |
| C1 | C4 | C8 | 113.6° | 109.5° |
| C1 | C4 | O9 | 109.3° | 109.4° |
| C4 | C1 | H1 | 109.1° | 109.5° |
| C1 | C4 | H49 | 107.1° | 108.6° |
| C2 | O6 | C11 | 115.1° | 114.0° |
| O6 | C2 | H2 | 110.8° | 109.7° |
| C4 | C8 | C14 | 112.6° | 112.5° |
| C8 | C4 | O9 | 111.0° | 111.4° |
| C8 | C4 | H49 | 107.1° | 109.1° |
| C4 | C8 | H52 | 108.7° | 109.4° |
| C4 | C8 | H53 | 108.7° | 109.4° |
| C8 | C14 | C19 | 113.2° | 109.0° |
| C8 | C14 | C18 | 109.7° | 107.9° |
| C8 | C14 | H28 | 108.4° | 110.6° |
| C14 | C8 | H52 | 108.7° | 108.7° |
| C14 | C8 | H53 | 108.7° | 108.6° |
| C19 | C14 | C18 | 108.6° | 110.0° |
| C19 | C14 | H28 | 108.5° | 109.9° |
| C14 | C19 | H34 | 109.5° | 109.5° |
| C14 | C19 | H35 | 109.5° | 109.4° |
| C14 | C19 | H36 | 109.5° | 109.5° |
| C4 | O9 | C53 | 113.5° | 114.0° |
| O9 | C4 | H49 | 108.6° | 108.7° |
| C14 | C18 | C22 | 111.3° | 111.7° |
| C18 | C14 | H28 | 108.3° | 109.4° |
| C14 | C18 | H32 | 109.0° | 108.9° |
| C14 | C18 | H33 | 109.0° | 108.7° |
| O38 | C34 | C30 | 120.6° | 119.9° |
| C34 | C30 | C25 | 106.4° | 108.7° |
| C34 | C30 | C35 | 111.6° | 109.0° |
| C34 | C30 | H48 | 110.3° | 109.1° |
| O6 | C11 | H25 | 109.5° | 109.4° |
| O6 | C11 | H26 | 109.5° | 109.5° |
| O6 | C11 | H27 | 109.5° | 109.5° |
| C26 | C22 | C18 | 118.4° | 115.0° |
| C26 | C22 | C25 | 122.8° | 119.8° |
| C26 | C22 | O57 | 112.3° | 116.1° |
| C22 | C26 | H41 | 109.5° | 109.5° |
| C22 | C26 | H42 | 109.5° | 109.5° |
| C22 | C26 | H43 | 109.5° | 109.5° |
| O9 | C53 | H20 | 109.5° | 109.4° |
| O9 | C53 | H21 | 109.5° | 109.5° |
| O9 | C53 | H22 | 109.5° | 109.4° |
| C18 | C22 | C25 | 115.1° | 119.2° |
| C18 | C22 | O57 | 116.1° | 116.7° |
| C22 | C18 | H32 | 109.0° | 109.3° |
| C22 | C18 | H33 | 109.0° | 109.1° |
| C25 | C30 | C35 | 109.0° | 109.6° |
| C30 | C25 | C22 | 120.1° | 119.7° |
| C30 | C25 | O57 | 113.8° | 117.8° |
| C30 | C25 | H40 | 116.9° | 114.7° |
| C25 | C30 | H48 | 109.8° | 110.6° |
| C30 | C35 | C39 | 113.2° | 109.5° |
| C35 | C30 | H48 | 109.7° | 109.9° |
| C30 | C35 | H58 | 108.5° | 109.5° |
| C30 | C35 | H59 | 108.6° | 109.5° |
| C25 | C22 | O57 | 56.1° | 57.7° |
| C22 | C25 | O57 | 56.1° | 58.2° |
| C22 | C25 | H40 | 116.4° | 118.0° |
| C22 | O57 | C25 | 67.8° | 64.0° |
| O57 | C25 | H40 | 119.7° | 116.9° |
| C39 | C35 | H58 | 108.5° | 109.4° |
| C39 | C35 | H59 | 108.5° | 109.5° |
| C35 | C39 | H63 | 109.5° | 109.5° |
| C35 | C39 | H64 | 109.5° | 109.5° |
| C35 | C39 | H65 | 109.5° | 109.5° |
| H6 | C44 | H7 | 109.5° | 109.5° |
| H6 | C44 | H8 | 109.5° | 109.5° |
| H7 | C44 | H8 | 109.5° | 109.5° |
| H9 | C45 | H10 | 109.5° | 109.5° |
| H9 | C45 | H11 | 109.5° | 109.5° |
| H10 | C45 | H11 | 109.4° | 109.5° |
| H13 | C47 | H14 | 109.5° | 109.5° |
| H17 | C52 | H18 | 109.4° | 109.4° |
| H17 | C52 | H19 | 109.5° | 109.4° |
| H18 | C52 | H19 | 109.5° | 109.5° |
| H20 | C53 | H21 | 109.5° | 109.5° |
| H20 | C53 | H22 | 109.5° | 109.5° |
| H21 | C53 | H22 | 109.4° | 109.5° |
| H23 | C55 | H24 | 109.5° | 109.5° |
| H25 | C11 | H26 | 109.5° | 109.5° |
| H25 | C11 | H27 | 109.5° | 109.5° |
| H26 | C11 | H27 | 109.5° | 109.5° |
| H29 | C15 | H30 | 109.5° | 109.4° |
| H29 | C15 | H31 | 109.5° | 109.5° |
| H30 | C15 | H31 | 109.5° | 109.5° |
| H32 | C18 | H33 | 109.5° | 109.0° |
| H34 | C19 | H35 | 109.4° | 109.5° |
| H34 | C19 | H36 | 109.5° | 109.5° |
| H35 | C19 | H36 | 109.5° | 109.5° |
| H38 | C24 | H39 | 109.5° | 109.0° |
| H41 | C26 | H42 | 109.5° | 109.4° |
| H41 | C26 | H43 | 109.5° | 109.5° |
| H42 | C26 | H43 | 109.5° | 109.4° |
| H44 | C28 | H45 | 109.5° | 109.5° |
| H46 | C29 | H47 | 109.5° | 108.8° |
| H50 | C5 | H51 | 109.5° | 109.1° |
| H52 | C8 | H53 | 109.5° | 108.1° |
| H56 | C33 | H57 | 109.5° | 109.0° |
| H58 | C35 | H59 | 109.5° | 109.5° |
| H61 | C37 | H62 | 109.5° | 109.0° |
| H63 | C39 | H64 | 109.4° | 109.5° |
| H63 | C39 | H65 | 109.5° | 109.4° |
| H64 | C39 | H65 | 109.5° | 109.5° |
| H67 | C54 | H68 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C52 | O50 | C48 | C47 | 95.5° | 150.0° |
| C52 | O50 | C48 | C49 | 145.6° | 90.0° |
| C52 | O50 | C48 | H15 | 24.7° | 30.1° |
| O50 | C52 | H17 | H18 | 120.0° | 120.0° |
| O50 | C52 | H17 | H19 | 120.0° | 120.0° |
| O50 | C52 | H18 | H19 | 120.0° | 120.0° |
| O50 | C48 | C47 | C49 | 116.8° | 120.0° |
| O50 | C48 | C47 | H15 | 121.3° | 120.0° |
| O50 | C48 | C49 | H15 | 121.8° | 120.0° |
| O50 | C48 | C47 | C46 | 170.2° | 180.0° |
| O50 | C48 | C49 | O51 | 71.6° | 60.0° |
| O50 | C48 | C49 | C54 | 170.9° | 180.0° |
| O50 | C48 | C47 | H13 | 49.7° | 60.0° |
| O50 | C48 | C47 | H14 | 69.3° | 60.0° |
| O50 | C48 | C49 | H16 | 49.8° | 60.0° |
| C48 | O50 | C52 | H17 | 180.0° | 180.0° |
| C48 | O50 | C52 | H18 | 60.0° | 60.0° |
| C48 | O50 | C52 | H19 | 60.0° | 60.1° |
| C23 | C28 | C33 | H44 | 120.2° | 119.3° |
| C23 | C28 | C33 | H45 | 120.2° | 120.2° |
| C28 | C23 | C27 | O32 | 53.4° | 94.0° |
| C28 | C23 | C27 | N20 | 123.3° | 120.1° |
| C28 | C23 | C27 | H37 | 116.1° | 119.3° |
| C28 | C23 | N20 | H37 | 114.9° | 119.6° |
| C23 | C28 | C33 | C29 | 56.4° | 67.4° |
| C28 | C23 | C27 | O31 | 125.8° | 86.2° |
| C28 | C23 | N20 | C16 | 120.3° | 165.6° |
| C28 | C23 | N20 | C24 | 55.3° | 14.1° |
| C23 | C28 | H44 | H45 | 119.5° | 120.6° |
| C23 | C28 | C33 | H56 | 63.9° | 53.1° |
| C23 | C28 | C33 | H57 | 176.6° | 172.2° |
| C33 | C28 | C23 | C27 | 76.0° | 75.1° |
| C33 | C28 | C23 | N20 | 51.9° | 45.7° |
| C28 | C33 | C29 | H56 | 120.2° | 120.4° |
| C28 | C33 | C29 | H57 | 120.2° | 120.3° |
| C28 | C33 | C29 | C24 | 56.8° | 26.0° |
| C33 | C28 | C23 | H37 | 167.5° | 165.5° |
| C33 | C28 | H44 | H45 | 119.4° | 120.9° |
| C28 | C33 | C29 | H46 | 176.9° | 94.6° |
| C28 | C33 | C29 | H47 | 63.3° | 146.9° |
| C28 | C33 | H56 | H57 | 119.3° | 119.2° |
| C47 | C48 | C49 | H15 | 121.8° | 120.0° |
| C48 | C47 | C46 | H13 | 120.5° | 120.0° |
| C48 | C47 | C46 | H14 | 120.5° | 120.0° |
| C47 | C48 | C49 | O51 | 172.0° | 180.0° |
| C47 | C48 | C49 | C54 | 54.5° | 60.0° |
| C48 | C47 | C46 | C43 | 175.1° | 180.0° |
| C48 | C47 | C46 | C55 | 55.2° | 60.0° |
| C48 | C47 | C46 | H12 | 65.0° | 60.1° |
| C48 | C47 | H13 | H14 | 118.5° | 120.0° |
| C47 | C48 | C49 | H16 | 66.6° | 60.0° |
| C49 | C48 | C47 | C46 | 53.4° | 60.0° |
| C48 | C49 | O51 | C54 | 120.0° | 120.0° |
| C48 | C49 | O51 | H16 | 120.3° | 120.0° |
| C48 | C49 | C54 | H16 | 121.2° | 119.9° |
| C48 | C49 | C54 | C55 | 58.6° | 60.0° |
| C49 | C48 | C47 | H13 | 67.1° | 180.0° |
| C49 | C48 | C47 | H14 | 173.9° | 60.0° |
| C48 | C49 | O51 | H66 | 180.0° | 179.9° |
| C48 | C49 | C54 | H67 | 61.5° | 60.1° |
| C48 | C49 | C54 | H68 | 178.7° | 180.0° |
| O32 | C27 | C23 | O31 | 179.2° | 179.9° |
| O32 | C27 | C23 | N20 | 176.7° | 26.1° |
| O32 | C27 | O31 | C36 | 5.8° | 1.5° |
| O32 | C27 | C23 | H37 | 62.7° | 146.8° |
| C47 | C46 | C43 | C55 | 119.6° | 120.0° |
| C47 | C46 | C43 | H12 | 119.5° | 119.9° |
| C47 | C46 | C55 | H12 | 120.2° | 120.0° |
| C47 | C46 | C43 | C40 | 132.5° | 125.0° |
| C47 | C46 | C55 | C54 | 58.2° | 60.0° |
| C47 | C46 | C43 | H5 | 47.5° | 55.1° |
| C46 | C47 | H13 | H14 | 118.4° | 120.0° |
| C46 | C47 | C48 | H15 | 68.5° | 60.1° |
| C47 | C46 | C55 | H23 | 61.9° | 60.0° |
| C47 | C46 | C55 | H24 | 178.3° | 179.9° |
| C27 | C23 | N20 | H37 | 120.4° | 120.7° |
| C27 | C23 | N20 | C16 | 115.0° | 45.9° |
| C27 | C23 | N20 | C24 | 69.4° | 133.9° |
| C23 | C27 | O31 | C36 | 175.0° | 178.6° |
| C27 | C23 | C28 | H44 | 44.2° | 44.3° |
| C27 | C23 | C28 | H45 | 163.8° | 164.6° |
| C23 | N20 | C16 | O21 | 3.5° | 11.1° |
| N20 | C23 | C27 | O31 | 2.5° | 153.8° |
| C23 | N20 | C16 | C24 | 175.5° | 179.7° |
| C23 | N20 | C16 | C12 | 177.5° | 168.1° |
| C23 | N20 | C24 | C29 | 56.0° | 55.6° |
| C23 | N20 | C24 | H38 | 175.8° | 175.3° |
| C23 | N20 | C24 | H39 | 63.8° | 65.1° |
| N20 | C23 | C28 | H44 | 172.1° | 165.2° |
| N20 | C23 | C28 | H45 | 68.2° | 74.5° |
| C33 | C29 | C24 | N20 | 52.8° | 31.6° |
| C33 | C29 | C24 | H46 | 120.1° | 120.6° |
| C33 | C29 | C24 | H47 | 120.1° | 120.8° |
| C33 | C29 | C24 | H38 | 172.6° | 152.5° |
| C33 | C29 | C24 | H39 | 67.0° | 89.0° |
| C29 | C33 | C28 | H44 | 176.5° | 173.4° |
| C29 | C33 | C28 | H45 | 63.8° | 52.8° |
| C33 | C29 | H46 | H47 | 119.6° | 118.7° |
| C29 | C33 | H56 | H57 | 119.3° | 119.4° |
| O51 | C49 | C54 | H16 | 120.8° | 120.0° |
| O51 | C49 | C54 | C55 | 176.6° | 180.0° |
| O51 | C49 | C48 | H15 | 50.2° | 60.0° |
| O51 | C49 | C54 | H67 | 56.5° | 60.0° |
| O51 | C49 | C54 | H68 | 63.3° | 60.0° |
| C49 | C54 | C55 | C46 | 60.4° | 60.0° |
| C49 | C54 | C55 | H67 | 120.1° | 120.0° |
| C49 | C54 | C55 | H68 | 120.1° | 120.0° |
| C54 | C49 | C48 | H15 | 67.3° | 60.0° |
| C49 | C54 | C55 | H23 | 59.7° | 60.0° |
| C49 | C54 | C55 | H24 | 179.5° | 180.0° |
| C54 | C49 | O51 | H66 | 60.0° | 59.9° |
| C49 | C54 | H67 | H68 | 119.8° | 119.9° |
| O21 | C16 | N20 | C12 | 179.1° | 179.2° |
| O21 | C16 | N20 | C24 | 179.0° | 168.6° |
| O21 | C16 | C12 | O17 | 91.9° | 159.4° |
| O21 | C16 | C12 | C7 | 88.1° | 17.8° |
| C27 | O31 | C36 | C40 | 93.7° | 70.2° |
| C27 | O31 | C36 | C41 | 144.5° | 171.0° |
| O31 | C27 | C23 | H37 | 118.1° | 33.1° |
| C27 | O31 | C36 | H60 | 26.5° | 50.1° |
| C16 | N20 | C24 | C29 | 119.4° | 124.2° |
| N20 | C16 | C12 | O17 | 89.0° | 19.8° |
| N20 | C16 | C12 | C7 | 91.0° | 163.1° |
| C16 | N20 | C23 | H37 | 5.4° | 74.8° |
| C16 | N20 | C24 | H38 | 0.4° | 4.4° |
| C16 | N20 | C24 | H39 | 120.8° | 115.2° |
| C24 | N20 | C16 | C12 | 1.9° | 12.2° |
| N20 | C24 | C29 | H38 | 119.8° | 120.9° |
| N20 | C24 | C29 | H39 | 119.8° | 120.6° |
| C24 | N20 | C23 | H37 | 170.2° | 105.4° |
| N20 | C24 | H38 | H39 | 120.6° | 119.7° |
| N20 | C24 | C29 | H46 | 173.0° | 152.2° |
| N20 | C24 | C29 | H47 | 67.3° | 89.3° |
| C16 | C12 | O17 | C7 | 180.0° | 177.2° |
| C16 | C12 | C7 | C10 | 35.4° | 179.5° |
| C16 | C12 | C7 | O13 | 160.1° | 59.6° |
| C16 | C12 | C7 | O3 | 83.1° | 59.1° |
| C29 | C24 | H38 | H39 | 120.6° | 118.7° |
| C24 | C29 | H46 | H47 | 119.6° | 118.7° |
| C24 | C29 | C33 | H56 | 63.4° | 94.4° |
| C24 | C29 | C33 | H57 | 177.1° | 146.3° |
| C43 | C46 | C55 | H12 | 121.2° | 120.0° |
| C46 | C43 | C40 | H5 | 180.0° | 179.9° |
| C43 | C46 | C55 | C54 | 176.8° | 180.0° |
| C46 | C43 | C40 | C36 | 179.8° | 174.5° |
| C46 | C43 | C40 | C44 | 1.1° | 5.6° |
| C43 | C46 | C47 | H13 | 54.6° | 59.9° |
| C43 | C46 | C47 | H14 | 64.4° | 60.0° |
| C43 | C46 | C55 | H23 | 56.7° | 60.0° |
| C43 | C46 | C55 | H24 | 63.2° | 60.0° |
| C55 | C46 | C43 | C40 | 108.0° | 114.9° |
| C46 | C55 | C54 | H23 | 120.1° | 120.0° |
| C46 | C55 | C54 | H24 | 120.1° | 120.0° |
| C55 | C46 | C43 | H5 | 72.0° | 65.0° |
| C55 | C46 | C47 | H13 | 65.3° | 180.0° |
| C55 | C46 | C47 | H14 | 175.7° | 60.0° |
| C46 | C55 | H23 | H24 | 119.7° | 120.0° |
| C46 | C55 | C54 | H67 | 59.7° | 60.0° |
| C46 | C55 | C54 | H68 | 179.5° | 180.0° |
| C43 | C40 | C36 | O31 | 122.2° | 124.9° |
| C43 | C40 | C36 | C44 | 179.1° | 179.9° |
| C43 | C40 | C36 | C41 | 119.7° | 116.2° |
| C43 | C40 | C44 | H6 | 180.0° | 64.9° |
| C43 | C40 | C44 | H7 | 60.0° | 175.1° |
| C43 | C40 | C44 | H8 | 60.0° | 55.1° |
| C40 | C43 | C46 | H12 | 12.9° | 5.1° |
| C43 | C40 | C36 | H60 | 1.4° | 4.3° |
| O31 | C36 | C40 | C41 | 118.1° | 118.8° |
| O31 | C36 | C40 | H60 | 120.8° | 120.6° |
| O31 | C36 | C41 | H60 | 118.9° | 120.8° |
| O31 | C36 | C40 | C44 | 57.0° | 55.0° |
| O31 | C36 | C41 | C45 | 63.0° | 21.5° |
| O31 | C36 | C41 | C42 | 169.2° | 143.6° |
| O31 | C36 | C41 | H3 | 52.3° | 96.7° |
| C54 | C55 | C46 | H12 | 62.0° | 60.0° |
| C55 | C54 | C49 | H16 | 62.6° | 60.0° |
| C54 | C55 | H23 | H24 | 119.7° | 119.9° |
| C55 | C54 | H67 | H68 | 119.8° | 120.1° |
| O17 | C12 | C7 | C10 | 144.6° | 3.3° |
| O17 | C12 | C7 | O13 | 19.9° | 123.2° |
| O17 | C12 | C7 | O3 | 96.9° | 118.1° |
| C40 | C36 | C41 | H60 | 121.3° | 120.1° |
| C40 | C36 | C41 | C45 | 177.2° | 140.5° |
| C40 | C36 | C41 | C42 | 49.4° | 97.3° |
| C40 | C36 | C41 | H3 | 67.5° | 22.4° |
| C36 | C40 | C43 | H5 | 0.2° | 5.4° |
| C36 | C40 | C44 | H6 | 0.9° | 115.1° |
| C36 | C40 | C44 | H7 | 119.0° | 4.9° |
| C36 | C40 | C44 | H8 | 121.0° | 124.9° |
| C41 | C36 | C40 | C44 | 61.2° | 63.8° |
| C36 | C41 | C45 | C42 | 126.6° | 122.8° |
| C36 | C41 | C45 | H3 | 115.4° | 118.2° |
| C36 | C41 | C42 | O56 | 57.9° | 71.7° |
| C36 | C41 | C42 | H3 | 117.1° | 119.4° |
| C36 | C41 | C42 | C37 | 176.1° | 49.7° |
| C36 | C41 | C42 | H4 | 59.7° | 169.7° |
| C36 | C41 | C45 | H9 | 180.0° | 62.8° |
| C36 | C41 | C45 | H10 | 60.0° | 57.2° |
| C36 | C41 | C45 | H11 | 60.0° | 177.1° |
| C12 | C7 | C10 | C15 | 71.0° | 68.1° |
| C12 | C7 | C10 | O13 | 125.2° | 119.6° |
| C12 | C7 | C10 | O3 | 113.8° | 120.1° |
| C12 | C7 | C10 | C5 | 165.3° | 172.7° |
| C12 | C7 | O13 | O3 | 110.7° | 118.2° |
| C12 | C7 | O3 | C1 | 173.4° | 179.7° |
| C12 | C7 | C10 | H54 | 47.6° | 52.1° |
| C12 | C7 | O13 | H55 | 8.5° | 60.0° |
| C44 | C40 | C43 | H5 | 178.9° | 174.6° |
| C40 | C44 | H6 | H7 | 120.0° | 120.0° |
| C40 | C44 | H6 | H8 | 120.0° | 120.0° |
| C40 | C44 | H7 | H8 | 120.0° | 120.0° |
| C44 | C40 | C36 | H60 | 177.7° | 175.6° |
| C15 | C10 | C7 | C5 | 123.7° | 119.2° |
| C15 | C10 | C7 | H54 | 118.7° | 120.2° |
| C15 | C10 | C5 | H54 | 116.9° | 118.9° |
| C15 | C10 | C7 | O13 | 54.2° | 51.5° |
| C15 | C10 | C7 | O3 | 175.2° | 171.8° |
| C15 | C10 | C5 | C2 | 174.5° | 173.0° |
| C10 | C15 | H29 | H30 | 120.0° | 119.9° |
| C10 | C15 | H29 | H31 | 120.0° | 120.1° |
| C10 | C15 | H30 | H31 | 120.0° | 120.0° |
| C15 | C10 | C5 | H50 | 54.4° | 66.7° |
| C15 | C10 | C5 | H51 | 65.4° | 52.4° |
| C45 | C41 | C42 | O56 | 66.9° | 166.4° |
| C45 | C41 | C42 | H3 | 118.1° | 118.7° |
| C45 | C41 | C42 | C37 | 59.2° | 72.2° |
| C45 | C41 | C42 | H4 | 175.6° | 47.8° |
| C41 | C45 | H9 | H10 | 120.0° | 120.0° |
| C41 | C45 | H9 | H11 | 120.0° | 120.0° |
| C41 | C45 | H10 | H11 | 120.0° | 120.0° |
| C45 | C41 | C36 | H60 | 55.9° | 99.4° |
| O56 | C42 | C41 | C37 | 126.0° | 121.4° |
| O56 | C42 | C41 | H4 | 117.6° | 118.6° |
| O56 | C42 | C37 | H4 | 116.6° | 118.2° |
| O56 | C42 | C37 | C34 | 158.9° | 99.4° |
| O56 | C42 | C41 | H3 | 175.0° | 47.7° |
| O56 | C42 | C37 | H61 | 38.5° | 19.9° |
| O56 | C42 | C37 | H62 | 80.6° | 140.1° |
| C7 | C10 | C5 | H54 | 117.7° | 121.0° |
| C10 | C7 | O13 | O3 | 120.3° | 121.2° |
| C10 | C7 | O3 | C1 | 63.0° | 59.0° |
| C7 | C10 | C5 | C2 | 49.1° | 52.8° |
| C7 | C10 | C15 | H29 | 180.0° | 60.1° |
| C7 | C10 | C15 | H30 | 60.0° | 180.0° |
| C7 | C10 | C15 | H31 | 60.0° | 60.0° |
| C7 | C10 | C5 | H50 | 71.0° | 173.1° |
| C7 | C10 | C5 | H51 | 169.2° | 67.7° |
| C10 | C7 | O13 | H55 | 137.5° | 179.4° |
| C5 | C10 | C7 | O13 | 69.4° | 67.7° |
| C5 | C10 | C7 | O3 | 51.5° | 52.6° |
| C10 | C5 | C2 | H50 | 120.1° | 120.2° |
| C10 | C5 | C2 | H51 | 120.1° | 120.4° |
| C10 | C5 | C2 | C1 | 54.0° | 55.7° |
| C10 | C5 | C2 | O6 | 171.6° | 175.4° |
| C10 | C5 | C2 | H2 | 64.7° | 64.3° |
| C5 | C10 | C15 | H29 | 55.4° | 179.4° |
| C5 | C10 | C15 | H30 | 64.6° | 59.5° |
| C5 | C10 | C15 | H31 | 175.4° | 60.5° |
| C10 | C5 | H50 | H51 | 119.6° | 119.3° |
| O13 | C7 | O3 | C1 | 57.0° | 61.4° |
| O13 | C7 | C10 | H54 | 172.9° | 171.7° |
| C7 | O3 | C1 | C2 | 69.1° | 61.8° |
| C7 | O3 | C1 | C4 | 166.9° | 178.4° |
| C7 | O3 | C1 | H1 | 50.0° | 58.1° |
| O3 | C7 | C10 | H54 | 66.2° | 68.0° |
| O3 | C7 | O13 | H55 | 102.2° | 58.2° |
| C41 | C42 | C37 | H4 | 116.2° | 120.0° |
| C41 | C42 | C37 | C34 | 73.9° | 138.8° |
| C42 | C41 | C45 | H9 | 53.4° | 60.0° |
| C42 | C41 | C45 | H10 | 66.6° | 180.0° |
| C42 | C41 | C45 | H11 | 173.5° | 60.0° |
| C42 | C41 | C36 | H60 | 71.9° | 22.8° |
| C41 | C42 | C37 | H61 | 165.7° | 101.9° |
| C41 | C42 | C37 | H62 | 46.6° | 18.3° |
| C41 | C42 | O56 | H69 | 180.0° | 180.0° |
| C42 | C37 | C34 | H61 | 120.5° | 119.5° |
| C42 | C37 | C34 | H62 | 120.5° | 121.2° |
| C42 | C37 | C34 | O38 | 3.7° | 47.2° |
| C42 | C37 | C34 | C30 | 176.3° | 132.9° |
| C37 | C42 | C41 | H3 | 58.9° | 169.1° |
| C42 | C37 | H61 | H62 | 118.5° | 121.2° |
| C37 | C42 | O56 | H69 | 52.5° | 57.3° |
| O3 | C1 | C2 | C5 | 62.4° | 58.5° |
| O3 | C1 | C2 | C4 | 115.9° | 119.6° |
| O3 | C1 | C2 | H1 | 120.2° | 120.2° |
| O3 | C1 | C4 | H1 | 118.0° | 120.5° |
| O3 | C1 | C2 | O6 | 175.9° | 178.1° |
| O3 | C1 | C4 | C8 | 72.4° | 134.8° |
| O3 | C1 | C4 | O9 | 163.0° | 12.4° |
| O3 | C1 | C2 | H2 | 56.3° | 61.7° |
| O3 | C1 | C4 | H49 | 45.6° | 106.1° |
| C5 | C2 | C1 | O6 | 121.7° | 119.6° |
| C5 | C2 | C1 | H2 | 118.7° | 120.1° |
| C5 | C2 | C1 | C4 | 178.3° | 178.1° |
| C5 | C2 | O6 | H2 | 122.8° | 120.3° |
| C5 | C2 | O6 | C11 | 71.0° | 90.5° |
| C5 | C2 | C1 | H1 | 57.8° | 61.7° |
| C2 | C5 | H50 | H51 | 119.6° | 119.7° |
| C2 | C5 | C10 | H54 | 68.6° | 68.1° |
| C37 | C34 | O38 | C30 | 179.9° | 179.8° |
| C37 | C34 | C30 | C25 | 122.8° | 95.9° |
| C37 | C34 | C30 | C35 | 118.4° | 144.7° |
| C34 | C37 | C42 | H4 | 42.3° | 18.7° |
| C37 | C34 | C30 | H48 | 3.8° | 24.7° |
| C34 | C37 | H61 | H62 | 118.5° | 119.5° |
| C2 | C1 | C4 | H1 | 123.9° | 120.2° |
| C1 | C2 | O6 | H2 | 118.6° | 120.2° |
| C2 | C1 | C4 | C8 | 45.6° | 105.9° |
| C2 | C1 | C4 | O9 | 78.9° | 131.7° |
| C1 | C2 | O6 | C11 | 170.4° | 150.0° |
| C2 | C1 | C4 | H49 | 163.7° | 13.2° |
| C1 | C2 | C5 | H50 | 66.2° | 175.9° |
| C1 | C2 | C5 | H51 | 174.1° | 64.6° |
| C4 | C1 | C2 | O6 | 60.0° | 62.2° |
| C1 | C4 | C8 | O9 | 123.6° | 121.2° |
| C1 | C4 | C8 | H49 | 118.1° | 118.8° |
| C1 | C4 | C8 | C14 | 165.7° | 109.3° |
| C1 | C4 | O9 | H49 | 116.5° | 118.5° |
| C1 | C4 | O9 | C53 | 81.9° | 150.0° |
| C4 | C1 | C2 | H2 | 59.6° | 58.0° |
| C1 | C4 | C8 | H52 | 73.8° | 129.8° |
| C1 | C4 | C8 | H53 | 45.3° | 11.5° |
| O6 | C2 | C1 | H1 | 63.9° | 57.9° |
| C2 | O6 | C11 | H25 | 180.0° | 180.0° |
| C2 | O6 | C11 | H26 | 60.0° | 60.0° |
| C2 | O6 | C11 | H27 | 60.0° | 60.1° |
| O6 | C2 | C5 | H50 | 51.4° | 64.4° |
| O6 | C2 | C5 | H51 | 68.3° | 55.0° |
| C4 | C8 | C14 | H52 | 120.5° | 121.3° |
| C4 | C8 | C14 | H53 | 120.5° | 121.2° |
| C4 | C8 | C14 | C19 | 37.9° | 87.5° |
| C8 | C4 | O9 | H49 | 117.4° | 120.3° |
| C4 | C8 | C14 | C18 | 83.5° | 153.0° |
| C8 | C4 | O9 | C53 | 152.0° | 88.7° |
| C8 | C4 | C1 | H1 | 169.5° | 14.3° |
| C4 | C8 | C14 | H28 | 158.4° | 33.4° |
| C4 | C8 | H52 | H53 | 118.6° | 119.1° |
| C8 | C14 | C19 | C18 | 122.1° | 118.2° |
| C8 | C14 | C19 | H28 | 120.4° | 121.4° |
| C14 | C8 | C4 | O9 | 70.7° | 11.9° |
| C8 | C14 | C18 | H28 | 118.2° | 120.4° |
| C8 | C14 | C18 | C22 | 88.7° | 171.6° |
| C8 | C14 | C18 | H32 | 151.0° | 50.7° |
| C8 | C14 | C18 | H33 | 31.6° | 67.9° |
| C8 | C14 | C19 | H34 | 180.0° | 178.2° |
| C8 | C14 | C19 | H35 | 60.0° | 61.8° |
| C8 | C14 | C19 | H36 | 60.0° | 58.1° |
| C14 | C8 | C4 | H49 | 47.6° | 131.9° |
| C14 | C8 | H52 | H53 | 118.5° | 117.7° |
| C19 | C14 | C18 | H28 | 117.7° | 120.7° |
| C19 | C14 | C18 | C22 | 147.2° | 52.8° |
| C19 | C14 | C18 | H32 | 26.9° | 68.2° |
| C19 | C14 | C18 | H33 | 92.5° | 173.2° |
| C14 | C19 | H34 | H35 | 120.0° | 120.0° |
| C14 | C19 | H34 | H36 | 120.0° | 120.0° |
| C14 | C19 | H35 | H36 | 120.0° | 120.0° |
| C19 | C14 | C8 | H52 | 158.4° | 151.1° |
| C19 | C14 | C8 | H53 | 82.5° | 33.7° |
| O9 | C4 | C1 | H1 | 45.0° | 108.1° |
| C4 | O9 | C53 | H20 | 180.0° | 60.0° |
| C4 | O9 | C53 | H21 | 60.0° | 180.0° |
| C4 | O9 | C53 | H22 | 60.0° | 60.0° |
| O9 | C4 | C8 | H52 | 49.8° | 109.0° |
| O9 | C4 | C8 | H53 | 168.9° | 132.7° |
| C14 | C18 | C22 | C26 | 64.3° | 112.2° |
| C14 | C18 | C22 | H32 | 120.3° | 120.7° |
| C14 | C18 | C22 | H33 | 120.3° | 120.2° |
| C14 | C18 | C22 | C25 | 94.6° | 40.5° |
| C14 | C18 | C22 | O57 | 157.5° | 106.7° |
| C14 | C18 | H32 | H33 | 119.2° | 118.5° |
| C18 | C14 | C19 | H34 | 58.0° | 60.0° |
| C18 | C14 | C19 | H35 | 177.9° | 180.0° |
| C18 | C14 | C19 | H36 | 62.1° | 60.0° |
| C18 | C14 | C8 | H52 | 37.0° | 31.7° |
| C18 | C14 | C8 | H53 | 156.1° | 85.7° |
| O38 | C34 | C30 | C25 | 57.2° | 83.9° |
| O38 | C34 | C30 | C35 | 61.6° | 35.4° |
| O38 | C34 | C30 | H48 | 176.3° | 155.4° |
| O38 | C34 | C37 | H61 | 116.7° | 166.8° |
| O38 | C34 | C37 | H62 | 124.2° | 74.0° |
| C34 | C30 | C25 | C35 | 120.4° | 119.0° |
| C34 | C30 | C25 | H48 | 119.4° | 119.8° |
| C34 | C30 | C35 | H48 | 122.5° | 119.5° |
| C34 | C30 | C25 | C22 | 91.8° | 153.7° |
| C34 | C30 | C25 | O57 | 155.2° | 138.9° |
| C34 | C30 | C35 | C39 | 74.9° | 66.2° |
| C34 | C30 | C25 | H40 | 58.7° | 4.6° |
| C34 | C30 | C35 | H58 | 164.5° | 173.8° |
| C34 | C30 | C35 | H59 | 45.6° | 53.8° |
| C30 | C34 | C37 | H61 | 63.2° | 13.4° |
| C30 | C34 | C37 | H62 | 55.9° | 105.9° |
| C11 | O6 | C2 | H2 | 51.8° | 29.8° |
| O6 | C11 | H25 | H26 | 120.0° | 120.0° |
| O6 | C11 | H25 | H27 | 120.0° | 120.0° |
| O6 | C11 | H26 | H27 | 120.0° | 120.0° |
| C26 | C22 | C18 | C25 | 158.9° | 152.8° |
| C26 | C22 | C18 | O57 | 138.2° | 141.0° |
| C26 | C22 | C25 | C30 | 3.5° | 2.3° |
| C26 | C22 | C25 | O57 | 96.4° | 103.8° |
| C26 | C22 | C18 | H32 | 56.0° | 8.4° |
| C26 | C22 | C18 | H33 | 175.4° | 127.5° |
| C26 | C22 | C25 | H40 | 154.1° | 150.4° |
| C22 | C26 | H41 | H42 | 120.0° | 120.0° |
| C22 | C26 | H41 | H43 | 120.0° | 120.1° |
| C22 | C26 | H42 | H43 | 120.0° | 120.0° |
| O9 | C53 | H20 | H21 | 120.0° | 120.0° |
| O9 | C53 | H20 | H22 | 120.0° | 119.9° |
| O9 | C53 | H21 | H22 | 120.0° | 120.0° |
| C53 | O9 | C4 | H49 | 34.6° | 31.6° |
| C18 | C22 | C25 | C30 | 154.4° | 149.2° |
| C18 | C22 | C25 | O57 | 105.7° | 104.7° |
| C22 | C18 | C14 | H28 | 29.5° | 68.0° |
| C22 | C18 | H32 | H33 | 119.1° | 119.2° |
| C18 | C22 | C25 | H40 | 3.8° | 1.1° |
| C18 | C22 | C26 | H41 | 180.0° | 34.4° |
| C18 | C22 | C26 | H42 | 60.0° | 154.4° |
| C18 | C22 | C26 | H43 | 60.0° | 85.6° |
| C25 | C30 | C35 | H48 | 120.2° | 121.7° |
| C30 | C25 | C22 | O57 | 99.9° | 106.1° |
| C30 | C25 | C22 | H40 | 150.6° | 148.0° |
| C30 | C25 | O57 | H40 | 145.1° | 142.8° |
| C25 | C30 | C35 | C39 | 167.8° | 175.0° |
| C25 | C30 | C35 | H58 | 47.3° | 55.0° |
| C25 | C30 | C35 | H59 | 71.6° | 65.0° |
| C35 | C30 | C25 | C22 | 147.7° | 87.4° |
| C35 | C30 | C25 | O57 | 84.3° | 20.0° |
| C30 | C35 | C39 | H58 | 120.5° | 120.0° |
| C30 | C35 | C39 | H59 | 120.6° | 120.0° |
| C35 | C30 | C25 | H40 | 61.8° | 123.6° |
| C30 | C35 | H58 | H59 | 118.3° | 120.0° |
| C30 | C35 | C39 | H63 | 180.0° | 60.0° |
| C30 | C35 | C39 | H64 | 60.0° | 180.0° |
| C30 | C35 | C39 | H65 | 60.0° | 60.0° |
| C22 | C25 | O57 | H40 | 103.5° | 107.7° |
| C25 | C22 | C18 | H32 | 145.1° | 161.2° |
| C25 | C22 | C18 | H33 | 25.7° | 79.7° |
| C25 | C22 | C26 | H41 | 22.8° | 173.0° |
| C25 | C22 | C26 | H42 | 97.2° | 53.0° |
| C25 | C22 | C26 | H43 | 142.8° | 67.0° |
| C22 | C25 | C30 | H48 | 27.5° | 33.9° |
| O57 | C22 | C18 | H32 | 82.2° | 132.6° |
| O57 | C22 | C18 | H33 | 37.2° | 13.5° |
| O57 | C22 | C26 | H41 | 40.3° | 106.9° |
| O57 | C22 | C26 | H42 | 160.4° | 13.1° |
| O57 | C22 | C26 | H43 | 79.7° | 133.1° |
| O57 | C25 | C30 | H48 | 35.8° | 101.3° |
| C39 | C35 | C30 | H48 | 47.6° | 53.3° |
| C39 | C35 | H58 | H59 | 118.3° | 119.9° |
| C35 | C39 | H63 | H64 | 120.0° | 120.0° |
| C35 | C39 | H63 | H65 | 120.0° | 120.0° |
| C35 | C39 | H64 | H65 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 176.4° | 178.2° |
| H1 | C1 | C4 | H49 | 72.4° | 133.4° |
| H2 | C2 | C5 | H50 | 175.1° | 55.9° |
| H2 | C2 | C5 | H51 | 55.4° | 175.3° |
| H3 | C41 | C42 | H4 | 57.5° | 70.9° |
| H3 | C41 | C45 | H9 | 64.6° | 179.0° |
| H3 | C41 | C45 | H10 | 175.4° | 61.0° |
| H3 | C41 | C45 | H11 | 55.4° | 59.0° |
| H3 | C41 | C36 | H60 | 171.1° | 142.5° |
| H4 | C42 | C37 | H61 | 78.1° | 138.1° |
| H4 | C42 | C37 | H62 | 162.8° | 101.7° |
| H4 | C42 | O56 | H69 | 63.3° | 61.1° |
| H5 | C43 | C46 | H12 | 167.1° | 175.0° |
| H6 | C44 | H7 | H8 | 120.0° | 120.0° |
| H9 | C45 | H10 | H11 | 120.0° | 120.0° |
| H12 | C46 | C47 | H13 | 174.5° | 60.0° |
| H12 | C46 | C47 | H14 | 55.5° | 180.0° |
| H12 | C46 | C55 | H23 | 177.9° | 180.0° |
| H12 | C46 | C55 | H24 | 58.1° | 59.9° |
| H13 | C47 | C48 | H15 | 171.0° | 60.0° |
| H14 | C47 | C48 | H15 | 52.0° | 180.0° |
| H15 | C48 | C49 | H16 | 171.6° | 179.9° |
| H16 | C49 | O51 | H66 | 59.6° | 60.1° |
| H16 | C49 | C54 | H67 | 177.3° | 180.0° |
| H16 | C49 | C54 | H68 | 57.5° | 60.1° |
| H17 | C52 | H18 | H19 | 120.0° | 119.9° |
| H20 | C53 | H21 | H22 | 120.0° | 120.1° |
| H23 | C55 | C54 | H67 | 179.8° | 180.0° |
| H23 | C55 | C54 | H68 | 60.4° | 60.0° |
| H24 | C55 | C54 | H67 | 60.4° | 60.0° |
| H24 | C55 | C54 | H68 | 59.4° | 60.1° |
| H25 | C11 | H26 | H27 | 120.0° | 120.0° |
| H28 | C14 | C18 | H32 | 90.8° | 171.1° |
| H28 | C14 | C18 | H33 | 149.8° | 52.5° |
| H28 | C14 | C19 | H34 | 59.6° | 60.4° |
| H28 | C14 | C19 | H35 | 60.4° | 59.6° |
| H28 | C14 | C19 | H36 | 179.6° | 179.5° |
| H28 | C14 | C8 | H52 | 81.1° | 87.9° |
| H28 | C14 | C8 | H53 | 37.9° | 154.6° |
| H29 | C15 | H30 | H31 | 120.0° | 120.0° |
| H29 | C15 | C10 | H54 | 61.4° | 60.5° |
| H30 | C15 | C10 | H54 | 178.6° | 59.4° |
| H31 | C15 | C10 | H54 | 58.6° | 179.4° |
| H34 | C19 | H35 | H36 | 120.0° | 120.0° |
| H37 | C23 | C28 | H44 | 72.3° | 75.1° |
| H37 | C23 | C28 | H45 | 47.3° | 45.2° |
| H38 | C24 | C29 | H46 | 67.2° | 87.0° |
| H38 | C24 | C29 | H47 | 52.5° | 31.6° |
| H39 | C24 | C29 | H46 | 53.1° | 31.6° |
| H39 | C24 | C29 | H47 | 172.9° | 150.1° |
| H40 | C25 | C30 | H48 | 178.0° | 115.1° |
| H41 | C26 | H42 | H43 | 120.0° | 119.9° |
| H44 | C28 | C33 | H56 | 56.3° | 66.2° |
| H44 | C28 | C33 | H57 | 63.2° | 53.0° |
| H45 | C28 | C33 | H56 | 175.9° | 173.2° |
| H45 | C28 | C33 | H57 | 56.4° | 67.6° |
| H46 | C29 | C33 | H56 | 56.7° | 145.0° |
| H46 | C29 | C33 | H57 | 62.8° | 25.7° |
| H47 | C29 | C33 | H56 | 176.4° | 26.4° |
| H47 | C29 | C33 | H57 | 56.9° | 92.8° |
| H48 | C30 | C35 | H58 | 73.0° | 66.7° |
| H48 | C30 | C35 | H59 | 168.1° | 173.3° |
| H49 | C4 | C8 | H52 | 168.1° | 11.0° |
| H49 | C4 | C8 | H53 | 72.8° | 107.3° |
| H50 | C5 | C10 | H54 | 171.3° | 52.2° |
| H51 | C5 | C10 | H54 | 51.5° | 171.3° |
| H58 | C35 | C39 | H63 | 59.5° | 60.1° |
| H58 | C35 | C39 | H64 | 179.4° | 60.0° |
| H58 | C35 | C39 | H65 | 60.6° | 180.0° |
| H59 | C35 | C39 | H63 | 59.4° | 180.0° |
| H59 | C35 | C39 | H64 | 60.6° | 60.0° |
| H59 | C35 | C39 | H65 | 179.4° | 60.1° |
| H63 | C39 | H64 | H65 | 120.0° | 120.0° |
