1XJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O57 | S64 | doub | 1.42Å | 1.45Å | |
| O53 | C27 | doub | 1.22Å | 1.22Å | |
| S64 | O56 | doub | 1.42Å | 1.45Å | |
| S64 | N52 | sing | 1.66Å | 1.68Å | |
| S64 | C22 | sing | 1.76Å | 1.78Å | |
| C13 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | N52 | sing | 1.35Å | 1.40Å | |
| C27 | C18 | sing | 1.48Å | 1.46Å | |
| C10 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | N50 | sing | 1.47Å | 1.48Å | |
| C36 | C38 | sing | 1.53Å | 1.51Å | |
| C44 | N50 | sing | 1.47Å | 1.49Å | |
| C44 | C43 | sing | 1.53Å | 1.50Å | |
| C46 | C45 | sing | 1.53Å | 1.52Å | |
| C46 | C43 | sing | 1.53Å | 1.51Å | |
| C46 | N51 | sing | 1.47Å | 1.45Å | |
| C20 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | N51 | sing | 1.40Å | 1.40Å | |
| C45 | S62 | sing | 1.81Å | 1.83Å | |
| C16 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C32 | N48 | sing | 1.47Å | 1.44Å | |
| C32 | C34 | sing | 1.53Å | 1.52Å | |
| C19 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | N48 | sing | 1.39Å | 1.42Å | |
| N50 | C35 | sing | 1.47Å | 1.47Å | |
| C38 | O58 | sing | 1.43Å | 1.42Å | |
| C23 | S63 | sing | 1.76Å | 1.75Å | |
| C11 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C21 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| N48 | C31 | sing | 1.47Å | 1.45Å | |
| F60 | C47 | sing | 1.40Å | 1.36Å | |
| C34 | N49 | sing | 1.47Å | 1.49Å | |
| F61 | C47 | sing | 1.40Å | 1.36Å | |
| C31 | C33 | sing | 1.53Å | 1.51Å | |
| N49 | C33 | sing | 1.47Å | 1.49Å | |
| N49 | C42 | sing | 1.47Å | 1.50Å | |
| O58 | C37 | sing | 1.43Å | 1.42Å | |
| C35 | C37 | sing | 1.53Å | 1.51Å | |
| S62 | C21 | sing | 1.76Å | 1.78Å | |
| C47 | S63 | sing | 1.81Å | 1.79Å | |
| C47 | F59 | sing | 1.40Å | 1.34Å | |
| C21 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C40 | C39 | sing | 1.53Å | 1.51Å | |
| C1 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| S63 | O55 | doub | 1.42Å | 1.45Å | |
| S63 | O54 | doub | 1.42Å | 1.45Å | |
| C29 | C39 | sing | 1.53Å | 1.51Å | |
| C29 | C26 | sing | 1.50Å | 1.49Å | |
| C42 | C26 | sing | 1.51Å | 1.50Å | |
| C39 | C41 | sing | 1.53Å | 1.51Å | |
| C39 | C30 | sing | 1.53Å | 1.50Å | |
| C12 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.31Å | 1.34Å | |
| C30 | C28 | sing | 1.53Å | 1.52Å | |
| C25 | C28 | sing | 1.50Å | 1.49Å | |
| C25 | C17 | sing | 1.48Å | 1.46Å | |
| C17 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C17 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | CL6 | sing | 1.74Å | 1.72Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H42 | sing | 1.09Å | 1.10Å | |
| C41 | H43 | sing | 1.09Å | 1.10Å | |
| C41 | H44 | sing | 1.09Å | 1.10Å | |
| C42 | H45 | sing | 1.09Å | 1.10Å | |
| C42 | H46 | sing | 1.09Å | 1.10Å | |
| C43 | H47 | sing | 1.09Å | 1.10Å | |
| C43 | H48 | sing | 1.09Å | 1.10Å | |
| C44 | H49 | sing | 1.09Å | 1.10Å | |
| C44 | H50 | sing | 1.09Å | 1.10Å | |
| C45 | H51 | sing | 1.09Å | 1.10Å | |
| C45 | H52 | sing | 1.09Å | 1.10Å | |
| C46 | H53 | sing | 1.09Å | 1.10Å | |
| N51 | H54 | sing | 0.97Å | 1.00Å | |
| N52 | H55 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O57 | S64 | O56 | 118.5° | 123.2° |
| O57 | S64 | N52 | 107.6° | 106.4° |
| O57 | S64 | C22 | 111.2° | 106.4° |
| O53 | C27 | N52 | 122.9° | 120.0° |
| O53 | C27 | C18 | 124.6° | 120.0° |
| O56 | S64 | N52 | 107.9° | 106.4° |
| O56 | S64 | C22 | 105.9° | 106.4° |
| N52 | S64 | C22 | 104.9° | 107.2° |
| S64 | N52 | C27 | 120.0° | 120.0° |
| S64 | N52 | H55 | 120.0° | 120.0° |
| S64 | C22 | C13 | 123.0° | 119.9° |
| S64 | C22 | C16 | 115.3° | 119.9° |
| C10 | C13 | C22 | 120.2° | 120.0° |
| C13 | C10 | C20 | 119.1° | 120.0° |
| C13 | C10 | H6 | 120.5° | 120.0° |
| C10 | C13 | H7 | 119.9° | 120.0° |
| C13 | C22 | C16 | 121.7° | 120.2° |
| C22 | C13 | H7 | 119.9° | 120.0° |
| N52 | C27 | C18 | 112.3° | 120.0° |
| C27 | N52 | H55 | 120.0° | 120.0° |
| C27 | C18 | C6 | 117.8° | 120.1° |
| C27 | C18 | C7 | 120.3° | 120.0° |
| C10 | C20 | C23 | 118.3° | 119.8° |
| C10 | C20 | N51 | 124.1° | 120.1° |
| C20 | C10 | H6 | 120.5° | 120.0° |
| C22 | C16 | C23 | 116.3° | 120.0° |
| C22 | C16 | H18 | 121.9° | 119.9° |
| C18 | C6 | C8 | 118.4° | 119.9° |
| C6 | C18 | C7 | 121.8° | 119.9° |
| C18 | C6 | H3 | 120.8° | 120.0° |
| C6 | C8 | C19 | 121.4° | 120.1° |
| C8 | C6 | H3 | 120.8° | 120.1° |
| C6 | C8 | H5 | 119.3° | 120.0° |
| C18 | C7 | C9 | 118.8° | 119.9° |
| C18 | C7 | H4 | 120.6° | 120.1° |
| C8 | C19 | C9 | 119.3° | 120.1° |
| C8 | C19 | N48 | 118.4° | 120.0° |
| C19 | C8 | H5 | 119.3° | 119.9° |
| C7 | C9 | C19 | 120.3° | 120.1° |
| C9 | C7 | H4 | 120.6° | 120.0° |
| C7 | C9 | H14 | 119.9° | 120.0° |
| N50 | C36 | C38 | 107.6° | 109.3° |
| C36 | N50 | C44 | 112.1° | 111.0° |
| C36 | N50 | C35 | 111.5° | 110.8° |
| N50 | C36 | H33 | 109.9° | 109.5° |
| N50 | C36 | H34 | 109.9° | 109.5° |
| C36 | C38 | O58 | 108.8° | 109.3° |
| C38 | C36 | H33 | 110.0° | 109.5° |
| C38 | C36 | H34 | 110.0° | 109.6° |
| C36 | C38 | H37 | 109.6° | 109.5° |
| C36 | C38 | H38 | 109.6° | 109.5° |
| N50 | C44 | C43 | 107.6° | 109.5° |
| C44 | N50 | C35 | 113.2° | 111.0° |
| N50 | C44 | H49 | 109.9° | 109.5° |
| N50 | C44 | H50 | 109.9° | 109.5° |
| C44 | C43 | C46 | 111.6° | 109.5° |
| C44 | C43 | H47 | 109.0° | 109.5° |
| C44 | C43 | H48 | 108.9° | 109.4° |
| C43 | C44 | H49 | 109.9° | 109.5° |
| C43 | C44 | H50 | 109.9° | 109.5° |
| C45 | C46 | C43 | 110.2° | 109.5° |
| C45 | C46 | N51 | 111.0° | 109.5° |
| C46 | C45 | S62 | 113.2° | 109.5° |
| C46 | C45 | H51 | 108.5° | 109.5° |
| C46 | C45 | H52 | 108.6° | 109.5° |
| C45 | C46 | H53 | 110.1° | 109.5° |
| C43 | C46 | N51 | 104.2° | 109.4° |
| C46 | C43 | H47 | 108.9° | 109.5° |
| C46 | C43 | H48 | 109.0° | 109.5° |
| C43 | C46 | H53 | 110.2° | 109.5° |
| C46 | N51 | C20 | 115.2° | 120.0° |
| N51 | C46 | H53 | 111.0° | 109.5° |
| C46 | N51 | H54 | 108.0° | 120.0° |
| C23 | C20 | N51 | 117.6° | 120.1° |
| C20 | C23 | C16 | 124.4° | 120.0° |
| C20 | C23 | S63 | 118.7° | 120.0° |
| C20 | N51 | H54 | 108.0° | 120.0° |
| C45 | S62 | C21 | 100.2° | 103.0° |
| S62 | C45 | H51 | 108.5° | 109.5° |
| S62 | C45 | H52 | 108.5° | 109.5° |
| C16 | C23 | S63 | 116.9° | 120.0° |
| C23 | C16 | H18 | 121.9° | 120.0° |
| N48 | C32 | C34 | 109.6° | 109.3° |
| C32 | N48 | C19 | 112.0° | 111.0° |
| C32 | N48 | C31 | 113.5° | 110.8° |
| N48 | C32 | H25 | 109.5° | 109.5° |
| N48 | C32 | H26 | 109.4° | 109.4° |
| C32 | C34 | N49 | 111.5° | 109.4° |
| C34 | C32 | H25 | 109.4° | 109.5° |
| C34 | C32 | H26 | 109.4° | 109.5° |
| C32 | C34 | H29 | 109.0° | 109.5° |
| C32 | C34 | H30 | 109.0° | 109.5° |
| C9 | C19 | N48 | 122.2° | 119.9° |
| C19 | C9 | H14 | 119.9° | 119.9° |
| C19 | N48 | C31 | 112.2° | 111.0° |
| N50 | C35 | C37 | 105.7° | 109.3° |
| N50 | C35 | H31 | 110.4° | 109.5° |
| N50 | C35 | H32 | 110.4° | 109.5° |
| C38 | O58 | C37 | 107.4° | 113.7° |
| O58 | C38 | H37 | 109.6° | 109.5° |
| O58 | C38 | H38 | 109.6° | 109.5° |
| C23 | S63 | C47 | 99.7° | 104.5° |
| C23 | S63 | O55 | 108.7° | 104.3° |
| C23 | S63 | O54 | 113.1° | 104.3° |
| C2 | C11 | C21 | 120.5° | 119.9° |
| C11 | C2 | C1 | 120.7° | 120.1° |
| C11 | C2 | H12 | 119.6° | 120.0° |
| C2 | C11 | H15 | 119.7° | 120.0° |
| C11 | C21 | S62 | 120.6° | 120.0° |
| C11 | C21 | C12 | 118.4° | 119.9° |
| C21 | C11 | H15 | 119.7° | 120.1° |
| C2 | C1 | C3 | 119.5° | 120.2° |
| C2 | C1 | H11 | 120.3° | 119.9° |
| C1 | C2 | H12 | 119.6° | 119.9° |
| N48 | C31 | C33 | 108.1° | 109.4° |
| N48 | C31 | H23 | 109.8° | 109.5° |
| N48 | C31 | H24 | 109.8° | 109.5° |
| F60 | C47 | F61 | 107.4° | 109.5° |
| F60 | C47 | S63 | 113.2° | 109.5° |
| F60 | C47 | F59 | 104.9° | 109.5° |
| C34 | N49 | C33 | 112.7° | 110.9° |
| C34 | N49 | C42 | 110.6° | 111.0° |
| N49 | C34 | H29 | 109.0° | 109.5° |
| N49 | C34 | H30 | 108.9° | 109.4° |
| F61 | C47 | S63 | 112.6° | 109.5° |
| F61 | C47 | F59 | 107.2° | 109.5° |
| C31 | C33 | N49 | 110.2° | 109.3° |
| C33 | C31 | H23 | 109.8° | 109.5° |
| C33 | C31 | H24 | 109.8° | 109.5° |
| C31 | C33 | H27 | 109.3° | 109.5° |
| C31 | C33 | H28 | 109.3° | 109.4° |
| C33 | N49 | C42 | 109.8° | 111.0° |
| N49 | C33 | H27 | 109.3° | 109.5° |
| N49 | C33 | H28 | 109.3° | 109.5° |
| N49 | C42 | C26 | 113.1° | 109.4° |
| N49 | C42 | H45 | 108.5° | 109.5° |
| N49 | C42 | H46 | 108.5° | 109.5° |
| O58 | C37 | C35 | 107.2° | 109.3° |
| O58 | C37 | H35 | 110.0° | 109.4° |
| O58 | C37 | H36 | 110.0° | 109.5° |
| C37 | C35 | H31 | 110.4° | 109.5° |
| C37 | C35 | H32 | 110.4° | 109.5° |
| C35 | C37 | H35 | 110.0° | 109.5° |
| C35 | C37 | H36 | 110.0° | 109.5° |
| S62 | C21 | C12 | 121.0° | 120.1° |
| S63 | C47 | F59 | 111.1° | 109.5° |
| C47 | S63 | O55 | 106.8° | 110.5° |
| C47 | S63 | O54 | 105.8° | 110.5° |
| C21 | C12 | C3 | 121.5° | 119.9° |
| C21 | C12 | H16 | 119.2° | 120.1° |
| C40 | C39 | C29 | 109.8° | 109.6° |
| C40 | C39 | C41 | 108.3° | 109.6° |
| C40 | C39 | C30 | 110.5° | 109.8° |
| C39 | C40 | H39 | 109.5° | 109.5° |
| C39 | C40 | H40 | 109.5° | 109.5° |
| C39 | C40 | H41 | 109.5° | 109.5° |
| C1 | C3 | C12 | 119.4° | 120.0° |
| C3 | C1 | H11 | 120.3° | 119.9° |
| C1 | C3 | H13 | 120.3° | 120.0° |
| O55 | S63 | O54 | 120.5° | 121.0° |
| C39 | C29 | C26 | 112.1° | 110.1° |
| C29 | C39 | C41 | 112.1° | 109.7° |
| C29 | C39 | C30 | 106.7° | 108.5° |
| C39 | C29 | H19 | 108.8° | 109.4° |
| C39 | C29 | H20 | 108.8° | 109.4° |
| C29 | C26 | C42 | 114.2° | 118.1° |
| C29 | C26 | C25 | 121.4° | 123.9° |
| C26 | C29 | H19 | 108.8° | 109.3° |
| C26 | C29 | H20 | 108.8° | 109.4° |
| C42 | C26 | C25 | 124.4° | 118.1° |
| C26 | C42 | H45 | 108.6° | 109.4° |
| C26 | C42 | H46 | 108.6° | 109.5° |
| C41 | C39 | C30 | 109.5° | 109.6° |
| C39 | C41 | H42 | 109.5° | 109.5° |
| C39 | C41 | H43 | 109.4° | 109.5° |
| C39 | C41 | H44 | 109.5° | 109.4° |
| C39 | C30 | C28 | 110.1° | 108.5° |
| C39 | C30 | H21 | 109.3° | 109.6° |
| C39 | C30 | H22 | 109.3° | 109.8° |
| C12 | C3 | H13 | 120.3° | 120.0° |
| C3 | C12 | H16 | 119.3° | 120.0° |
| C26 | C25 | C28 | 123.3° | 123.8° |
| C26 | C25 | C17 | 122.9° | 118.1° |
| C30 | C28 | C25 | 111.0° | 110.1° |
| C30 | C28 | H9 | 109.1° | 109.4° |
| C30 | C28 | H10 | 109.1° | 109.2° |
| C28 | C30 | H21 | 109.3° | 109.6° |
| C28 | C30 | H22 | 109.3° | 109.7° |
| C28 | C25 | C17 | 113.8° | 118.0° |
| C25 | C28 | H9 | 109.1° | 109.4° |
| C25 | C28 | H10 | 109.1° | 109.4° |
| C25 | C17 | C4 | 119.8° | 120.2° |
| C25 | C17 | C5 | 120.1° | 120.1° |
| C4 | C17 | C5 | 120.1° | 119.7° |
| C17 | C4 | C14 | 120.2° | 119.9° |
| C17 | C4 | H1 | 119.9° | 120.0° |
| C17 | C5 | C15 | 120.2° | 119.9° |
| C17 | C5 | H2 | 119.9° | 120.0° |
| C4 | C14 | C24 | 118.9° | 120.1° |
| C14 | C4 | H1 | 119.9° | 120.1° |
| C4 | C14 | H17 | 120.5° | 119.9° |
| C5 | C15 | C24 | 119.2° | 120.1° |
| C15 | C5 | H2 | 119.9° | 120.1° |
| C5 | C15 | H8 | 120.4° | 119.9° |
| C14 | C24 | C15 | 121.4° | 120.3° |
| C14 | C24 | CL6 | 119.9° | 119.9° |
| C24 | C14 | H17 | 120.5° | 119.9° |
| C15 | C24 | CL6 | 118.8° | 119.9° |
| C24 | C15 | H8 | 120.4° | 120.0° |
| H9 | C28 | H10 | 109.5° | 109.4° |
| H19 | C29 | H20 | 109.5° | 109.2° |
| H21 | C30 | H22 | 109.5° | 109.6° |
| H23 | C31 | H24 | 109.5° | 109.5° |
| H25 | C32 | H26 | 109.4° | 109.5° |
| H27 | C33 | H28 | 109.5° | 109.5° |
| H29 | C34 | H30 | 109.5° | 109.5° |
| H31 | C35 | H32 | 109.5° | 109.5° |
| H33 | C36 | H34 | 109.5° | 109.6° |
| H35 | C37 | H36 | 109.5° | 109.5° |
| H37 | C38 | H38 | 109.5° | 109.5° |
| H39 | C40 | H40 | 109.4° | 109.5° |
| H39 | C40 | H41 | 109.5° | 109.5° |
| H40 | C40 | H41 | 109.5° | 109.5° |
| H42 | C41 | H43 | 109.5° | 109.5° |
| H42 | C41 | H44 | 109.5° | 109.4° |
| H43 | C41 | H44 | 109.5° | 109.5° |
| H45 | C42 | H46 | 109.5° | 109.5° |
| H47 | C43 | H48 | 109.5° | 109.5° |
| H49 | C44 | H50 | 109.5° | 109.4° |
| H51 | C45 | H52 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O57 | S64 | O56 | N52 | 122.4° | 122.9° |
| O57 | S64 | O56 | C22 | 125.7° | 123.0° |
| O57 | S64 | N52 | C22 | 118.5° | 113.5° |
| O57 | S64 | C22 | C13 | 19.8° | 23.5° |
| O57 | S64 | N52 | C27 | 57.0° | 178.6° |
| O57 | S64 | C22 | C16 | 160.8° | 156.4° |
| O57 | S64 | N52 | H55 | 123.0° | 1.5° |
| O53 | C27 | N52 | S64 | 3.5° | 0.0° |
| O53 | C27 | N52 | C18 | 173.7° | 180.0° |
| O53 | C27 | C18 | C6 | 4.9° | 0.0° |
| O53 | C27 | C18 | C7 | 178.4° | 179.9° |
| O53 | C27 | N52 | H55 | 176.5° | 180.0° |
| O56 | S64 | N52 | C22 | 112.6° | 113.5° |
| O56 | S64 | C22 | C13 | 149.8° | 156.4° |
| O56 | S64 | N52 | C27 | 174.0° | 48.5° |
| O56 | S64 | C22 | C16 | 30.8° | 23.5° |
| O56 | S64 | N52 | H55 | 6.0° | 131.5° |
| N52 | S64 | C22 | C13 | 96.2° | 90.0° |
| S64 | N52 | C27 | H55 | 180.0° | 180.0° |
| S64 | N52 | C27 | C18 | 177.1° | 180.0° |
| N52 | S64 | C22 | C16 | 83.2° | 90.0° |
| S64 | C22 | C13 | C10 | 179.8° | 180.0° |
| S64 | C22 | C13 | C16 | 179.4° | 179.9° |
| C22 | S64 | N52 | C27 | 61.5° | 65.0° |
| S64 | C22 | C16 | C23 | 178.7° | 179.7° |
| S64 | C22 | C13 | H7 | 0.2° | 0.0° |
| S64 | C22 | C16 | H18 | 1.3° | 0.0° |
| C22 | S64 | N52 | H55 | 118.5° | 115.0° |
| C10 | C13 | C22 | H7 | 180.0° | 180.0° |
| C13 | C10 | C20 | H6 | 180.0° | 179.7° |
| C10 | C13 | C22 | C16 | 0.4° | 0.0° |
| C13 | C10 | C20 | C23 | 1.5° | 0.3° |
| C13 | C10 | C20 | N51 | 179.1° | 179.7° |
| C22 | C13 | C10 | C20 | 0.0° | 0.0° |
| C13 | C22 | C16 | C23 | 0.7° | 0.3° |
| C22 | C13 | C10 | H6 | 180.0° | 179.7° |
| C13 | C22 | C16 | H18 | 179.3° | 179.9° |
| N52 | C27 | C18 | C6 | 168.6° | 180.0° |
| N52 | C27 | C18 | C7 | 8.1° | 0.0° |
| C27 | C18 | C6 | C7 | 176.7° | 179.9° |
| C27 | C18 | C6 | C8 | 177.5° | 180.0° |
| C27 | C18 | C7 | C9 | 177.4° | 180.0° |
| C27 | C18 | C6 | H3 | 2.5° | 0.2° |
| C27 | C18 | C7 | H4 | 2.6° | 0.0° |
| C18 | C27 | N52 | H55 | 2.8° | 0.0° |
| C10 | C20 | N51 | C46 | 4.9° | 0.1° |
| C10 | C20 | C23 | N51 | 177.8° | 180.0° |
| C10 | C20 | C23 | C16 | 2.7° | 0.6° |
| C10 | C20 | C23 | S63 | 178.3° | 180.0° |
| C20 | C10 | C13 | H7 | 180.0° | 180.0° |
| C10 | C20 | N51 | H54 | 125.7° | 180.0° |
| C22 | C16 | C23 | C20 | 2.3° | 0.6° |
| C22 | C16 | C23 | H18 | 180.0° | 179.7° |
| C22 | C16 | C23 | S63 | 178.0° | 180.0° |
| C16 | C22 | C13 | H7 | 179.6° | 180.0° |
| C18 | C6 | C8 | H3 | 180.0° | 179.8° |
| C18 | C6 | C8 | C19 | 0.3° | 0.0° |
| C6 | C18 | C7 | C9 | 0.8° | 0.1° |
| C6 | C18 | C7 | H4 | 179.2° | 180.0° |
| C18 | C6 | C8 | H5 | 179.7° | 180.0° |
| C8 | C6 | C18 | C7 | 0.8° | 0.0° |
| C6 | C8 | C19 | H5 | 180.0° | 179.9° |
| C6 | C8 | C19 | C9 | 0.3° | 0.0° |
| C6 | C8 | C19 | N48 | 179.0° | 180.0° |
| C18 | C7 | C9 | H4 | 180.0° | 180.0° |
| C18 | C7 | C9 | C19 | 0.2° | 0.1° |
| C7 | C18 | C6 | H3 | 179.2° | 179.7° |
| C18 | C7 | C9 | H14 | 179.8° | 179.9° |
| C8 | C19 | C9 | C7 | 0.3° | 0.0° |
| C8 | C19 | N48 | C32 | 37.0° | 180.0° |
| C8 | C19 | C9 | N48 | 178.7° | 180.0° |
| C8 | C19 | N48 | C31 | 166.0° | 56.2° |
| C19 | C8 | C6 | H3 | 179.7° | 179.8° |
| C8 | C19 | C9 | H14 | 179.7° | 180.0° |
| C7 | C9 | C19 | H14 | 180.0° | 180.0° |
| C7 | C9 | C19 | N48 | 179.0° | 180.0° |
| N50 | C36 | C38 | H33 | 119.7° | 119.9° |
| N50 | C36 | C38 | H34 | 119.7° | 119.9° |
| C36 | N50 | C44 | C35 | 127.2° | 123.6° |
| C36 | N50 | C44 | C43 | 171.3° | 170.0° |
| N50 | C36 | C38 | O58 | 58.9° | 56.8° |
| C36 | N50 | C35 | C37 | 59.0° | 58.6° |
| C36 | N50 | C35 | H31 | 60.4° | 178.5° |
| C36 | N50 | C35 | H32 | 178.4° | 61.3° |
| N50 | C36 | H33 | H34 | 120.8° | 120.1° |
| N50 | C36 | C38 | H37 | 61.0° | 63.1° |
| N50 | C36 | C38 | H38 | 178.8° | 176.8° |
| C36 | N50 | C44 | H49 | 51.6° | 50.0° |
| C36 | N50 | C44 | H50 | 69.0° | 70.0° |
| C38 | C36 | N50 | C44 | 175.7° | 177.6° |
| C38 | C36 | N50 | C35 | 56.2° | 58.6° |
| C36 | C38 | O58 | H37 | 119.9° | 119.9° |
| C36 | C38 | O58 | H38 | 119.9° | 120.0° |
| C36 | C38 | O58 | C37 | 67.7° | 58.6° |
| C38 | C36 | H33 | H34 | 120.9° | 120.2° |
| C36 | C38 | H37 | H38 | 120.3° | 120.1° |
| N50 | C44 | C43 | H49 | 119.7° | 120.1° |
| N50 | C44 | C43 | H50 | 119.7° | 120.0° |
| N50 | C44 | C43 | C46 | 172.1° | 180.0° |
| C44 | N50 | C35 | C37 | 173.5° | 177.6° |
| C44 | N50 | C35 | H31 | 67.1° | 57.7° |
| C44 | N50 | C35 | H32 | 54.1° | 62.5° |
| C44 | N50 | C36 | H33 | 56.0° | 62.5° |
| C44 | N50 | C36 | H34 | 64.6° | 57.6° |
| N50 | C44 | C43 | H47 | 67.6° | 60.0° |
| N50 | C44 | C43 | H48 | 51.7° | 60.0° |
| N50 | C44 | H49 | H50 | 120.8° | 120.0° |
| C44 | C43 | C46 | C45 | 97.2° | 175.0° |
| C44 | C43 | C46 | H47 | 120.3° | 120.0° |
| C44 | C43 | C46 | H48 | 120.3° | 120.0° |
| C44 | C43 | C46 | N51 | 143.7° | 65.0° |
| C43 | C44 | N50 | C35 | 44.1° | 66.4° |
| C44 | C43 | H47 | H48 | 119.0° | 120.0° |
| C43 | C44 | H49 | H50 | 120.9° | 120.0° |
| C44 | C43 | C46 | H53 | 24.5° | 55.0° |
| C45 | C46 | C43 | N51 | 119.2° | 120.0° |
| C45 | C46 | C43 | H53 | 121.7° | 120.0° |
| C45 | C46 | N51 | H53 | 122.8° | 120.0° |
| C45 | C46 | N51 | C20 | 84.2° | 154.9° |
| C46 | C45 | S62 | H51 | 120.5° | 120.0° |
| C46 | C45 | S62 | H52 | 120.6° | 120.0° |
| C46 | C45 | S62 | C21 | 88.5° | 180.0° |
| C45 | C46 | C43 | H47 | 142.5° | 65.0° |
| C45 | C46 | C43 | H48 | 23.1° | 55.0° |
| C46 | C45 | H51 | H52 | 118.3° | 120.0° |
| C45 | C46 | N51 | H54 | 155.0° | 24.9° |
| C43 | C46 | N51 | H53 | 118.6° | 120.0° |
| C43 | C46 | N51 | C20 | 157.2° | 85.1° |
| C43 | C46 | C45 | S62 | 64.1° | 180.0° |
| C46 | C43 | H47 | H48 | 119.0° | 120.0° |
| C46 | C43 | C44 | H49 | 52.4° | 60.0° |
| C46 | C43 | C44 | H50 | 68.2° | 60.0° |
| C43 | C46 | C45 | H51 | 56.4° | 60.0° |
| C43 | C46 | C45 | H52 | 175.3° | 60.0° |
| C43 | C46 | N51 | H54 | 36.4° | 95.1° |
| C46 | N51 | C20 | C23 | 177.5° | 179.9° |
| C46 | N51 | C20 | H54 | 120.8° | 179.9° |
| N51 | C46 | C45 | S62 | 50.8° | 60.0° |
| N51 | C46 | C43 | H47 | 23.3° | 55.0° |
| N51 | C46 | C43 | H48 | 96.0° | 175.0° |
| N51 | C46 | C45 | H51 | 171.3° | 60.0° |
| N51 | C46 | C45 | H52 | 69.8° | 179.9° |
| C20 | C23 | C16 | S63 | 175.7° | 179.4° |
| C20 | C23 | S63 | C47 | 84.3° | 65.0° |
| C20 | C23 | S63 | O55 | 164.2° | 178.9° |
| C20 | C23 | S63 | O54 | 27.6° | 51.1° |
| C23 | C20 | C10 | H6 | 178.5° | 180.0° |
| C20 | C23 | C16 | H18 | 177.7° | 179.7° |
| C23 | C20 | N51 | H54 | 56.7° | 0.0° |
| N51 | C20 | C23 | C16 | 179.5° | 179.4° |
| N51 | C20 | C23 | S63 | 3.9° | 0.0° |
| N51 | C20 | C10 | H6 | 0.9° | 0.0° |
| C20 | N51 | C46 | H53 | 38.7° | 34.9° |
| C45 | S62 | C21 | C11 | 47.0° | 0.3° |
| C45 | S62 | C21 | C12 | 131.2° | 180.0° |
| S62 | C45 | H51 | H52 | 118.3° | 120.0° |
| S62 | C45 | C46 | H53 | 174.2° | 60.0° |
| C16 | C23 | S63 | C47 | 91.7° | 114.4° |
| C16 | C23 | S63 | O55 | 19.9° | 1.7° |
| C16 | C23 | S63 | O54 | 156.5° | 129.5° |
| N48 | C32 | C34 | H25 | 120.1° | 120.0° |
| N48 | C32 | C34 | H26 | 120.1° | 119.9° |
| C32 | N48 | C19 | C9 | 144.3° | 0.0° |
| C32 | N48 | C19 | C31 | 129.0° | 123.8° |
| N48 | C32 | C34 | N49 | 51.6° | 58.5° |
| C32 | N48 | C31 | C33 | 62.9° | 59.3° |
| C32 | N48 | C31 | H23 | 56.9° | 179.3° |
| C32 | N48 | C31 | H24 | 177.4° | 60.7° |
| N48 | C32 | H25 | H26 | 119.9° | 120.0° |
| N48 | C32 | C34 | H29 | 68.7° | 61.5° |
| N48 | C32 | C34 | H30 | 171.9° | 178.4° |
| C34 | C32 | N48 | C19 | 172.0° | 176.8° |
| C34 | C32 | N48 | C31 | 59.7° | 59.4° |
| C32 | C34 | N49 | H29 | 120.3° | 120.0° |
| C32 | C34 | N49 | H30 | 120.3° | 119.9° |
| C32 | C34 | N49 | C33 | 50.5° | 59.4° |
| C32 | C34 | N49 | C42 | 173.8° | 176.8° |
| C34 | C32 | H25 | H26 | 119.9° | 120.1° |
| C32 | C34 | H29 | H30 | 119.1° | 120.1° |
| C9 | C19 | N48 | C31 | 15.3° | 123.8° |
| C19 | C9 | C7 | H4 | 179.8° | 180.0° |
| C9 | C19 | C8 | H5 | 179.7° | 180.0° |
| C19 | N48 | C31 | C33 | 168.9° | 176.8° |
| N48 | C19 | C8 | H5 | 0.9° | 0.0° |
| N48 | C19 | C9 | H14 | 1.0° | 0.0° |
| C19 | N48 | C31 | H23 | 71.3° | 56.9° |
| C19 | N48 | C31 | H24 | 49.1° | 63.2° |
| C19 | N48 | C32 | H25 | 52.0° | 63.2° |
| C19 | N48 | C32 | H26 | 68.0° | 56.9° |
| N50 | C35 | C37 | O58 | 65.3° | 56.9° |
| N50 | C35 | C37 | H31 | 119.4° | 119.9° |
| N50 | C35 | C37 | H32 | 119.4° | 119.9° |
| N50 | C35 | H31 | H32 | 121.7° | 120.1° |
| C35 | N50 | C36 | H33 | 175.9° | 61.3° |
| C35 | N50 | C36 | H34 | 63.5° | 178.6° |
| N50 | C35 | C37 | H35 | 54.4° | 176.7° |
| N50 | C35 | C37 | H36 | 175.1° | 63.1° |
| C35 | N50 | C44 | H49 | 75.6° | 173.6° |
| C35 | N50 | C44 | H50 | 163.8° | 53.6° |
| C38 | O58 | C37 | C35 | 71.0° | 58.6° |
| O58 | C38 | C36 | H33 | 178.6° | 63.1° |
| O58 | C38 | C36 | H34 | 60.8° | 176.7° |
| C38 | O58 | C37 | H35 | 48.7° | 178.6° |
| C38 | O58 | C37 | H36 | 169.3° | 61.4° |
| O58 | C38 | H37 | H38 | 120.3° | 120.1° |
| C23 | S63 | C47 | F60 | 58.2° | 60.0° |
| C23 | S63 | C47 | F61 | 63.8° | 180.0° |
| C23 | S63 | C47 | O55 | 113.0° | 111.6° |
| C23 | S63 | C47 | O54 | 117.5° | 111.6° |
| C23 | S63 | C47 | F59 | 175.9° | 60.0° |
| C23 | S63 | O55 | O54 | 132.8° | 116.8° |
| S63 | C23 | C16 | H18 | 2.0° | 0.4° |
| C2 | C11 | C21 | H15 | 180.0° | 179.9° |
| C11 | C2 | C1 | H12 | 180.0° | 180.0° |
| C2 | C11 | C21 | S62 | 178.0° | 179.7° |
| C2 | C11 | C21 | C12 | 0.2° | 0.0° |
| C11 | C2 | C1 | C3 | 0.6° | 0.1° |
| C11 | C2 | C1 | H11 | 179.3° | 179.9° |
| C21 | C11 | C2 | C1 | 0.6° | 0.0° |
| C11 | C21 | S62 | C12 | 178.2° | 179.7° |
| C11 | C21 | C12 | C3 | 0.1° | 0.0° |
| C21 | C11 | C2 | H12 | 179.4° | 180.0° |
| C11 | C21 | C12 | H16 | 179.9° | 180.0° |
| C2 | C1 | C3 | H11 | 180.0° | 180.0° |
| C2 | C1 | C3 | C12 | 0.3° | 0.1° |
| C2 | C1 | C3 | H13 | 179.7° | 180.0° |
| C1 | C2 | C11 | H15 | 179.4° | 179.9° |
| N48 | C31 | C33 | H23 | 119.8° | 119.9° |
| N48 | C31 | C33 | H24 | 119.8° | 120.0° |
| N48 | C31 | C33 | N49 | 57.8° | 58.4° |
| N48 | C31 | H23 | H24 | 120.6° | 120.1° |
| C31 | N48 | C32 | H25 | 179.7° | 60.7° |
| C31 | N48 | C32 | H26 | 60.4° | 179.2° |
| N48 | C31 | C33 | H27 | 177.9° | 178.4° |
| N48 | C31 | C33 | H28 | 62.3° | 61.5° |
| F60 | C47 | F61 | S63 | 125.3° | 120.0° |
| F60 | C47 | F61 | F59 | 112.2° | 120.0° |
| F60 | C47 | S63 | F59 | 117.7° | 120.0° |
| F60 | C47 | S63 | O55 | 54.8° | 51.6° |
| F60 | C47 | S63 | O54 | 175.7° | 171.6° |
| C34 | N49 | C33 | C31 | 53.7° | 59.3° |
| C34 | N49 | C33 | C42 | 123.8° | 123.9° |
| C34 | N49 | C42 | C26 | 175.8° | 162.8° |
| N49 | C34 | C32 | H25 | 171.7° | 61.5° |
| N49 | C34 | C32 | H26 | 68.4° | 178.3° |
| C34 | N49 | C33 | H27 | 173.9° | 179.3° |
| C34 | N49 | C33 | H28 | 66.4° | 60.6° |
| N49 | C34 | H29 | H30 | 119.1° | 120.0° |
| C34 | N49 | C42 | H45 | 55.2° | 42.8° |
| C34 | N49 | C42 | H46 | 63.7° | 77.2° |
| F61 | C47 | S63 | F59 | 120.2° | 120.0° |
| F61 | C47 | S63 | O55 | 176.9° | 68.4° |
| F61 | C47 | S63 | O54 | 53.7° | 68.4° |
| C31 | C33 | N49 | H27 | 120.1° | 120.0° |
| C31 | C33 | N49 | H28 | 120.1° | 119.9° |
| C31 | C33 | N49 | C42 | 177.5° | 176.8° |
| C33 | C31 | H23 | H24 | 120.7° | 120.0° |
| C31 | C33 | H27 | H28 | 119.7° | 120.0° |
| C33 | N49 | C42 | C26 | 50.8° | 73.4° |
| N49 | C33 | C31 | H23 | 62.0° | 178.3° |
| N49 | C33 | C31 | H24 | 177.5° | 61.6° |
| N49 | C33 | H27 | H28 | 119.6° | 120.1° |
| C33 | N49 | C34 | H29 | 69.8° | 60.6° |
| C33 | N49 | C34 | H30 | 170.8° | 179.3° |
| C33 | N49 | C42 | H45 | 69.7° | 166.6° |
| C33 | N49 | C42 | H46 | 171.4° | 46.5° |
| N49 | C42 | C26 | C29 | 62.7° | 86.1° |
| N49 | C42 | C26 | H45 | 120.5° | 120.0° |
| N49 | C42 | C26 | H46 | 120.5° | 120.0° |
| N49 | C42 | C26 | C25 | 115.6° | 93.6° |
| C42 | N49 | C33 | H27 | 62.4° | 56.9° |
| C42 | N49 | C33 | H28 | 57.4° | 63.2° |
| C42 | N49 | C34 | H29 | 53.5° | 63.2° |
| C42 | N49 | C34 | H30 | 65.9° | 56.9° |
| N49 | C42 | H45 | H46 | 118.3° | 120.1° |
| O58 | C37 | C35 | H35 | 119.7° | 119.9° |
| O58 | C37 | C35 | H36 | 119.6° | 120.0° |
| O58 | C37 | C35 | H31 | 54.1° | 176.8° |
| O58 | C37 | C35 | H32 | 175.3° | 63.1° |
| O58 | C37 | H35 | H36 | 121.0° | 120.0° |
| C37 | O58 | C38 | H37 | 52.2° | 61.3° |
| C37 | O58 | C38 | H38 | 172.4° | 178.6° |
| C37 | C35 | H31 | H32 | 121.7° | 120.1° |
| C35 | C37 | H35 | H36 | 121.0° | 120.1° |
| S62 | C21 | C12 | C3 | 178.3° | 179.7° |
| S62 | C21 | C11 | H15 | 2.0° | 0.4° |
| S62 | C21 | C12 | H16 | 1.7° | 0.3° |
| C21 | S62 | C45 | H51 | 151.0° | 60.0° |
| C21 | S62 | C45 | H52 | 32.1° | 60.0° |
| C47 | S63 | O55 | O54 | 120.4° | 131.5° |
| F59 | C47 | S63 | O55 | 62.9° | 171.6° |
| F59 | C47 | S63 | O54 | 66.6° | 51.6° |
| C21 | C12 | C3 | C1 | 0.0° | 0.1° |
| C21 | C12 | C3 | H16 | 180.0° | 180.0° |
| C21 | C12 | C3 | H13 | 180.0° | 180.0° |
| C12 | C21 | C11 | H15 | 179.8° | 179.9° |
| C40 | C39 | C29 | C41 | 120.4° | 120.4° |
| C40 | C39 | C29 | C30 | 119.8° | 119.9° |
| C40 | C39 | C29 | C26 | 172.4° | 70.2° |
| C40 | C39 | C41 | C30 | 120.5° | 120.5° |
| C40 | C39 | C30 | C28 | 172.6° | 51.9° |
| C40 | C39 | C29 | H19 | 52.0° | 169.6° |
| C40 | C39 | C29 | H20 | 67.2° | 50.0° |
| C40 | C39 | C30 | H21 | 52.5° | 67.8° |
| C40 | C39 | C30 | H22 | 67.3° | 171.7° |
| C39 | C40 | H39 | H40 | 120.0° | 120.0° |
| C39 | C40 | H39 | H41 | 120.0° | 120.0° |
| C39 | C40 | H40 | H41 | 120.0° | 120.0° |
| C40 | C39 | C41 | H42 | 180.0° | 60.5° |
| C40 | C39 | C41 | H43 | 60.0° | 59.6° |
| C40 | C39 | C41 | H44 | 60.0° | 179.6° |
| C1 | C3 | C12 | H13 | 180.0° | 179.9° |
| C3 | C1 | C2 | H12 | 179.4° | 180.0° |
| C1 | C3 | C12 | H16 | 180.0° | 180.0° |
| C39 | C29 | C26 | H19 | 120.4° | 120.2° |
| C39 | C29 | C26 | H20 | 120.4° | 120.3° |
| C39 | C29 | C26 | C42 | 162.1° | 163.1° |
| C29 | C39 | C41 | C30 | 118.2° | 119.1° |
| C39 | C29 | C26 | C25 | 19.6° | 17.2° |
| C29 | C39 | C30 | C28 | 68.0° | 67.9° |
| C39 | C29 | H19 | H20 | 118.8° | 119.7° |
| C29 | C39 | C30 | H21 | 171.9° | 172.4° |
| C29 | C39 | C30 | H22 | 52.1° | 51.9° |
| C29 | C39 | C40 | H39 | 180.0° | 60.0° |
| C29 | C39 | C40 | H40 | 60.0° | 180.0° |
| C29 | C39 | C40 | H41 | 60.0° | 60.0° |
| C29 | C39 | C41 | H42 | 58.7° | 59.9° |
| C29 | C39 | C41 | H43 | 61.3° | 180.0° |
| C29 | C39 | C41 | H44 | 178.7° | 59.9° |
| C29 | C26 | C42 | C25 | 178.3° | 179.7° |
| C26 | C29 | C39 | C41 | 67.2° | 169.4° |
| C26 | C29 | C39 | C30 | 52.6° | 49.6° |
| C29 | C26 | C25 | C28 | 1.1° | 0.5° |
| C29 | C26 | C25 | C17 | 178.3° | 179.6° |
| C26 | C29 | H19 | H20 | 118.8° | 119.6° |
| C29 | C26 | C42 | H45 | 176.8° | 153.9° |
| C29 | C26 | C42 | H46 | 57.9° | 33.9° |
| C42 | C26 | C25 | C28 | 177.0° | 179.8° |
| C42 | C26 | C25 | C17 | 3.5° | 0.2° |
| C42 | C26 | C29 | H19 | 77.5° | 76.7° |
| C42 | C26 | C29 | H20 | 41.7° | 42.8° |
| C26 | C42 | H45 | H46 | 118.4° | 120.0° |
| C41 | C39 | C30 | C28 | 53.4° | 172.3° |
| C41 | C39 | C29 | H19 | 172.4° | 49.2° |
| C41 | C39 | C29 | H20 | 53.2° | 70.4° |
| C41 | C39 | C30 | H21 | 66.7° | 52.6° |
| C41 | C39 | C30 | H22 | 173.5° | 67.8° |
| C41 | C39 | C40 | H39 | 57.3° | 179.5° |
| C41 | C39 | C40 | H40 | 62.6° | 59.5° |
| C41 | C39 | C40 | H41 | 177.3° | 60.5° |
| C39 | C41 | H42 | H43 | 120.0° | 120.1° |
| C39 | C41 | H42 | H44 | 120.0° | 119.9° |
| C39 | C41 | H43 | H44 | 120.0° | 120.0° |
| C39 | C30 | C28 | H21 | 120.1° | 119.7° |
| C39 | C30 | C28 | H22 | 120.1° | 119.9° |
| C39 | C30 | C28 | C25 | 47.6° | 49.7° |
| C39 | C30 | C28 | H9 | 72.7° | 70.5° |
| C39 | C30 | C28 | H10 | 167.8° | 169.8° |
| C30 | C39 | C29 | H19 | 67.8° | 70.5° |
| C30 | C39 | C29 | H20 | 172.9° | 169.9° |
| C39 | C30 | H21 | H22 | 119.7° | 120.6° |
| C30 | C39 | C40 | H39 | 62.6° | 59.1° |
| C30 | C39 | C40 | H40 | 177.5° | 60.9° |
| C30 | C39 | C40 | H41 | 57.5° | 179.1° |
| C30 | C39 | C41 | H42 | 59.5° | 179.0° |
| C30 | C39 | C41 | H43 | 179.5° | 61.0° |
| C30 | C39 | C41 | H44 | 60.5° | 59.1° |
| C12 | C3 | C1 | H11 | 179.6° | 179.9° |
| C26 | C25 | C28 | C30 | 12.9° | 17.2° |
| C26 | C25 | C28 | C17 | 179.5° | 179.9° |
| C26 | C25 | C17 | C4 | 68.6° | 108.4° |
| C26 | C25 | C17 | C5 | 114.2° | 71.6° |
| C26 | C25 | C28 | H9 | 107.4° | 103.0° |
| C26 | C25 | C28 | H10 | 133.1° | 137.3° |
| C25 | C26 | C29 | H19 | 100.8° | 103.0° |
| C25 | C26 | C29 | H20 | 139.9° | 137.4° |
| C25 | C26 | C42 | H45 | 4.9° | 26.3° |
| C25 | C26 | C42 | H46 | 123.9° | 146.3° |
| C30 | C28 | C25 | H9 | 120.2° | 120.2° |
| C30 | C28 | C25 | H10 | 120.2° | 120.0° |
| C30 | C28 | C25 | C17 | 167.7° | 162.8° |
| C30 | C28 | H9 | H10 | 119.3° | 119.6° |
| C28 | C30 | H21 | H22 | 119.7° | 120.4° |
| C28 | C25 | C17 | C4 | 110.9° | 71.7° |
| C28 | C25 | C17 | C5 | 66.3° | 108.3° |
| C25 | C28 | H9 | H10 | 119.3° | 119.7° |
| C25 | C28 | C30 | H21 | 167.6° | 169.4° |
| C25 | C28 | C30 | H22 | 72.5° | 70.2° |
| C25 | C17 | C4 | C5 | 177.2° | 180.0° |
| C25 | C17 | C4 | C14 | 178.9° | 180.0° |
| C25 | C17 | C5 | C15 | 178.2° | 180.0° |
| C25 | C17 | C4 | H1 | 1.1° | 0.2° |
| C25 | C17 | C5 | H2 | 1.8° | 0.2° |
| C17 | C25 | C28 | H9 | 72.1° | 77.0° |
| C17 | C25 | C28 | H10 | 47.4° | 42.8° |
| C17 | C4 | C14 | H1 | 180.0° | 179.7° |
| C4 | C17 | C5 | C15 | 1.0° | 0.1° |
| C17 | C4 | C14 | C24 | 1.7° | 0.3° |
| C4 | C17 | C5 | H2 | 179.0° | 179.7° |
| C17 | C4 | C14 | H17 | 178.3° | 179.8° |
| C5 | C17 | C4 | C14 | 1.7° | 0.0° |
| C17 | C5 | C15 | H2 | 180.0° | 179.8° |
| C17 | C5 | C15 | C24 | 0.2° | 0.2° |
| C5 | C17 | C4 | H1 | 178.3° | 179.7° |
| C17 | C5 | C15 | H8 | 179.8° | 179.8° |
| C4 | C14 | C24 | H17 | 180.0° | 179.9° |
| C4 | C14 | C24 | C15 | 0.9° | 0.5° |
| C4 | C14 | C24 | CL6 | 179.7° | 180.0° |
| C5 | C15 | C24 | C14 | 0.2° | 0.5° |
| C5 | C15 | C24 | H8 | 180.0° | 179.9° |
| C5 | C15 | C24 | CL6 | 179.6° | 180.0° |
| C14 | C24 | C15 | CL6 | 179.4° | 179.5° |
| C24 | C14 | C4 | H1 | 178.4° | 180.0° |
| C14 | C24 | C15 | H8 | 179.8° | 179.5° |
| C24 | C15 | C5 | H2 | 179.8° | 180.0° |
| C15 | C24 | C14 | H17 | 179.1° | 179.6° |
| CL6 | C24 | C15 | H8 | 0.4° | 0.0° |
| CL6 | C24 | C14 | H17 | 0.3° | 0.1° |
| H1 | C4 | C14 | H17 | 1.6° | 0.1° |
| H2 | C5 | C15 | H8 | 0.2° | 0.0° |
| H3 | C6 | C8 | H5 | 0.2° | 0.3° |
| H4 | C7 | C9 | H14 | 0.2° | 0.0° |
| H6 | C10 | C13 | H7 | 0.0° | 0.3° |
| H9 | C28 | C30 | H21 | 47.4° | 49.1° |
| H9 | C28 | C30 | H22 | 167.2° | 169.6° |
| H10 | C28 | C30 | H21 | 72.1° | 70.5° |
| H10 | C28 | C30 | H22 | 47.7° | 49.9° |
| H11 | C1 | C2 | H12 | 0.7° | 0.0° |
| H11 | C1 | C3 | H13 | 0.4° | 0.0° |
| H12 | C2 | C11 | H15 | 0.6° | 0.1° |
| H13 | C3 | C12 | H16 | 0.0° | 0.1° |
| H23 | C31 | C33 | H27 | 58.1° | 61.7° |
| H23 | C31 | C33 | H28 | 177.9° | 58.4° |
| H24 | C31 | C33 | H27 | 62.3° | 58.4° |
| H24 | C31 | C33 | H28 | 57.4° | 178.4° |
| H25 | C32 | C34 | H29 | 51.4° | 178.5° |
| H25 | C32 | C34 | H30 | 68.0° | 58.4° |
| H26 | C32 | C34 | H29 | 171.3° | 58.3° |
| H26 | C32 | C34 | H30 | 51.9° | 61.8° |
| H31 | C35 | C37 | H35 | 173.8° | 63.3° |
| H31 | C35 | C37 | H36 | 65.5° | 56.8° |
| H32 | C35 | C37 | H35 | 65.0° | 56.8° |
| H32 | C35 | C37 | H36 | 55.7° | 176.9° |
| H33 | C36 | C38 | H37 | 58.7° | 177.0° |
| H33 | C36 | C38 | H38 | 61.5° | 56.9° |
| H34 | C36 | C38 | H37 | 179.3° | 56.8° |
| H34 | C36 | C38 | H38 | 59.1° | 63.3° |
| H39 | C40 | H40 | H41 | 120.0° | 120.0° |
| H42 | C41 | H43 | H44 | 120.1° | 120.0° |
| H47 | C43 | C44 | H49 | 172.7° | 60.1° |
| H47 | C43 | C44 | H50 | 52.1° | 180.0° |
| H47 | C43 | C46 | H53 | 95.9° | 175.0° |
| H48 | C43 | C44 | H49 | 68.0° | 180.0° |
| H48 | C43 | C44 | H50 | 171.4° | 60.0° |
| H48 | C43 | C46 | H53 | 144.8° | 65.0° |
| H51 | C45 | C46 | H53 | 65.3° | 180.0° |
| H52 | C45 | C46 | H53 | 53.6° | 60.1° |
| H53 | C46 | N51 | H54 | 82.2° | 144.9° |
