LC6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | N52 | sing | 1.47Å | 1.46Å | |
| N52 | C40 | sing | 1.47Å | 1.46Å | |
| N52 | C44 | sing | 1.47Å | 1.46Å | |
| C44 | C43 | sing | 1.53Å | 1.51Å | |
| C43 | C47 | sing | 1.53Å | 1.51Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| C46 | S62 | sing | 1.81Å | 1.82Å | |
| C47 | N50 | sing | 1.46Å | 1.45Å | |
| C15 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| S62 | C28 | sing | 1.76Å | 1.77Å | |
| N50 | C25 | sing | 1.40Å | 1.41Å | |
| C28 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| O54 | N53 | doub | 1.22Å | 1.23Å | |
| C16 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | N53 | sing | 1.48Å | 1.45Å | |
| C26 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| N53 | O57 | sing | 1.22Å | 1.23Å | |
| C29 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | S63 | sing | 1.76Å | 1.79Å | |
| O55 | C36 | doub | 1.22Å | 1.22Å | |
| C6 | C9 | doub | 1.36Å | 1.37Å | Aromatic |
| C6 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| O58 | S63 | doub | 1.42Å | 1.45Å | |
| C9 | C19 | sing | 1.41Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.37Å | 1.37Å | Aromatic |
| C11 | C22 | sing | 1.40Å | 1.38Å | Aromatic |
| S63 | N51 | sing | 1.66Å | 1.71Å | |
| S63 | O59 | doub | 1.42Å | 1.45Å | |
| C36 | N51 | sing | 1.35Å | 1.41Å | |
| C36 | C22 | sing | 1.48Å | 1.47Å | |
| C10 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C27 | doub | 1.37Å | 1.38Å | Aromatic |
| C22 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.42Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.36Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.40Å | 1.44Å | Aromatic |
| C34 | C35 | doub | 1.36Å | 1.34Å | Aromatic |
| C27 | C20 | sing | 1.41Å | 1.37Å | Aromatic |
| C27 | O61 | sing | 1.36Å | 1.38Å | |
| C21 | C35 | sing | 1.48Å | 1.45Å | |
| C21 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C8 | doub | 1.40Å | 1.38Å | Aromatic |
| C33 | C32 | doub | 1.36Å | 1.34Å | Aromatic |
| C35 | N49 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C23 | sing | 1.37Å | 1.39Å | Aromatic |
| C45 | O61 | sing | 1.43Å | 1.42Å | |
| C45 | C42 | sing | 1.53Å | 1.51Å | |
| C23 | C38 | sing | 1.51Å | 1.49Å | |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C32 | C30 | sing | 1.41Å | 1.42Å | Aromatic |
| N49 | C30 | sing | 1.37Å | 1.37Å | Aromatic |
| N49 | N48 | sing | 1.29Å | 1.35Å | Aromatic |
| C30 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| N48 | C31 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | C3 | sing | 1.36Å | 1.38Å | Aromatic |
| C42 | C41 | sing | 1.53Å | 1.51Å | |
| C24 | C31 | sing | 1.40Å | 1.42Å | Aromatic |
| C24 | C41 | sing | 1.51Å | 1.48Å | |
| C31 | C37 | sing | 1.48Å | 1.45Å | |
| O60 | C37 | doub | 1.21Å | 1.36Å | |
| C37 | O56 | sing | 1.35Å | 1.22Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C32 | H19 | sing | 1.08Å | 1.08Å | |
| C33 | H20 | sing | 1.08Å | 1.08Å | |
| C34 | H21 | sing | 1.08Å | 1.08Å | |
| C38 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C39 | H25 | sing | 1.09Å | 1.10Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C40 | H28 | sing | 1.09Å | 1.10Å | |
| C40 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| C42 | H33 | sing | 1.09Å | 1.10Å | |
| C42 | H34 | sing | 1.09Å | 1.10Å | |
| C43 | H35 | sing | 1.09Å | 1.10Å | |
| C43 | H36 | sing | 1.09Å | 1.10Å | |
| C44 | H37 | sing | 1.09Å | 1.10Å | |
| C44 | H38 | sing | 1.09Å | 1.10Å | |
| C45 | H39 | sing | 1.09Å | 1.10Å | |
| C45 | H40 | sing | 1.09Å | 1.10Å | |
| C46 | H41 | sing | 1.09Å | 1.10Å | |
| C46 | H42 | sing | 1.09Å | 1.10Å | |
| C47 | H43 | sing | 1.09Å | 1.10Å | |
| N50 | H44 | sing | 0.97Å | 1.00Å | |
| N51 | H45 | sing | 0.97Å | 1.00Å | |
| O56 | H47 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | N52 | C40 | 106.0° | 111.0° |
| C39 | N52 | C44 | 108.4° | 111.0° |
| N52 | C39 | H25 | 109.5° | 109.5° |
| N52 | C39 | H26 | 109.5° | 109.5° |
| N52 | C39 | H27 | 109.5° | 109.5° |
| C40 | N52 | C44 | 107.9° | 111.0° |
| N52 | C40 | H28 | 109.5° | 109.5° |
| N52 | C40 | H29 | 109.5° | 109.4° |
| N52 | C40 | H30 | 109.4° | 109.5° |
| N52 | C44 | C43 | 110.4° | 109.5° |
| N52 | C44 | H37 | 109.2° | 109.5° |
| N52 | C44 | H38 | 109.2° | 109.4° |
| C44 | C43 | C47 | 110.2° | 109.5° |
| C44 | C43 | H35 | 109.3° | 109.5° |
| C44 | C43 | H36 | 109.3° | 109.5° |
| C43 | C44 | H37 | 109.2° | 109.5° |
| C43 | C44 | H38 | 109.2° | 109.5° |
| C43 | C47 | C46 | 108.1° | 109.5° |
| C43 | C47 | N50 | 109.1° | 109.5° |
| C47 | C43 | H35 | 109.3° | 109.5° |
| C47 | C43 | H36 | 109.3° | 109.4° |
| C43 | C47 | H43 | 110.2° | 109.5° |
| C47 | C46 | S62 | 114.5° | 109.5° |
| C46 | C47 | N50 | 108.4° | 109.5° |
| C47 | C46 | H41 | 108.2° | 109.5° |
| C47 | C46 | H42 | 108.2° | 109.5° |
| C46 | C47 | H43 | 110.0° | 109.5° |
| C46 | S62 | C28 | 97.9° | 103.0° |
| S62 | C46 | H41 | 108.2° | 109.4° |
| S62 | C46 | H42 | 108.2° | 109.4° |
| C47 | N50 | C25 | 117.7° | 120.0° |
| N50 | C47 | H43 | 111.1° | 109.5° |
| C47 | N50 | H44 | 107.4° | 120.0° |
| C5 | C15 | C28 | 120.3° | 119.9° |
| C15 | C5 | C1 | 120.5° | 120.1° |
| C15 | C5 | H5 | 119.7° | 119.9° |
| C5 | C15 | H15 | 119.9° | 120.0° |
| C15 | C28 | S62 | 120.4° | 120.1° |
| C15 | C28 | C14 | 119.1° | 119.9° |
| C28 | C15 | H15 | 119.9° | 120.1° |
| C5 | C1 | C4 | 119.3° | 120.2° |
| C5 | C1 | H1 | 120.4° | 119.9° |
| C1 | C5 | H5 | 119.7° | 120.0° |
| S62 | C28 | C14 | 120.5° | 120.1° |
| N50 | C25 | C12 | 125.6° | 120.1° |
| N50 | C25 | C26 | 117.6° | 120.1° |
| C25 | N50 | H44 | 107.3° | 120.0° |
| C28 | C14 | C4 | 120.5° | 119.9° |
| C28 | C14 | H14 | 119.7° | 120.0° |
| C25 | C12 | C16 | 121.0° | 119.9° |
| C12 | C25 | C26 | 116.9° | 119.9° |
| C25 | C12 | H12 | 119.5° | 120.1° |
| C12 | C16 | C29 | 120.2° | 120.1° |
| C16 | C12 | H12 | 119.5° | 120.0° |
| C12 | C16 | H16 | 119.9° | 120.0° |
| C1 | C4 | C14 | 120.3° | 120.1° |
| C4 | C1 | H1 | 120.4° | 119.9° |
| C1 | C4 | H4 | 119.8° | 120.0° |
| C25 | C26 | N53 | 117.7° | 120.0° |
| C25 | C26 | C18 | 123.7° | 119.9° |
| C14 | C4 | H4 | 119.9° | 119.9° |
| C4 | C14 | H14 | 119.8° | 120.1° |
| O54 | N53 | C26 | 117.5° | 120.0° |
| O54 | N53 | O57 | 124.6° | 120.0° |
| C16 | C29 | C18 | 120.6° | 120.2° |
| C16 | C29 | S63 | 119.7° | 119.9° |
| C29 | C16 | H16 | 119.9° | 119.9° |
| N53 | C26 | C18 | 118.5° | 120.1° |
| C26 | N53 | O57 | 117.9° | 120.0° |
| C26 | C18 | C29 | 117.6° | 120.1° |
| C26 | C18 | H18 | 121.2° | 119.9° |
| C18 | C29 | S63 | 119.6° | 119.9° |
| C29 | C18 | H18 | 121.2° | 120.0° |
| C29 | S63 | O58 | 105.0° | 106.4° |
| C29 | S63 | N51 | 102.5° | 107.2° |
| C29 | S63 | O59 | 108.4° | 106.4° |
| O55 | C36 | N51 | 124.0° | 120.0° |
| O55 | C36 | C22 | 120.6° | 120.0° |
| C9 | C6 | C13 | 119.7° | 121.1° |
| C6 | C9 | C19 | 120.3° | 119.7° |
| C9 | C6 | H6 | 120.1° | 119.4° |
| C6 | C9 | H9 | 119.9° | 120.1° |
| C6 | C13 | C27 | 119.6° | 120.9° |
| C13 | C6 | H6 | 120.2° | 119.5° |
| C6 | C13 | H13 | 120.2° | 119.5° |
| O58 | S63 | N51 | 111.4° | 106.4° |
| O58 | S63 | O59 | 121.9° | 123.1° |
| C9 | C19 | C7 | 119.8° | 121.3° |
| C9 | C19 | C20 | 120.3° | 119.4° |
| C19 | C9 | H9 | 119.8° | 120.1° |
| C10 | C11 | C22 | 119.3° | 120.0° |
| C11 | C10 | C21 | 119.9° | 119.9° |
| C11 | C10 | H10 | 120.1° | 120.0° |
| C10 | C11 | H11 | 120.3° | 120.0° |
| C11 | C22 | C36 | 113.9° | 120.0° |
| C11 | C22 | C17 | 122.3° | 120.0° |
| C22 | C11 | H11 | 120.3° | 120.0° |
| N51 | S63 | O59 | 106.0° | 106.4° |
| S63 | N51 | C36 | 121.6° | 120.0° |
| S63 | N51 | H45 | 119.2° | 120.0° |
| N51 | C36 | C22 | 115.4° | 120.0° |
| C36 | N51 | H45 | 119.3° | 120.0° |
| C36 | C22 | C17 | 123.7° | 120.0° |
| C10 | C21 | C35 | 114.6° | 120.0° |
| C10 | C21 | C23 | 120.8° | 120.0° |
| C21 | C10 | H10 | 120.1° | 120.0° |
| C13 | C27 | C20 | 120.9° | 119.5° |
| C13 | C27 | O61 | 123.3° | 120.2° |
| C27 | C13 | H13 | 120.2° | 119.6° |
| C22 | C17 | C23 | 117.8° | 120.0° |
| C22 | C17 | H17 | 121.1° | 120.0° |
| C7 | C19 | C20 | 119.9° | 119.3° |
| C19 | C7 | C2 | 119.3° | 119.7° |
| C19 | C7 | H7 | 120.3° | 120.1° |
| C19 | C20 | C27 | 119.2° | 119.3° |
| C19 | C20 | C8 | 120.9° | 119.4° |
| C7 | C2 | C3 | 120.5° | 121.0° |
| C7 | C2 | H2 | 119.7° | 119.5° |
| C2 | C7 | H7 | 120.3° | 120.2° |
| C33 | C34 | C35 | 118.9° | 120.4° |
| C34 | C33 | C32 | 121.2° | 119.6° |
| C34 | C33 | H20 | 119.4° | 120.2° |
| C33 | C34 | H21 | 120.6° | 119.8° |
| C34 | C35 | C21 | 119.2° | 119.7° |
| C34 | C35 | N49 | 119.6° | 120.6° |
| C35 | C34 | H21 | 120.6° | 119.8° |
| C20 | C27 | O61 | 115.8° | 120.2° |
| C27 | C20 | C8 | 119.9° | 121.3° |
| C27 | O61 | C45 | 111.6° | 117.0° |
| C35 | C21 | C23 | 124.7° | 120.0° |
| C21 | C35 | N49 | 121.1° | 119.7° |
| C21 | C23 | C17 | 120.0° | 120.0° |
| C21 | C23 | C38 | 121.1° | 120.0° |
| C20 | C8 | C3 | 118.6° | 119.7° |
| C20 | C8 | H8 | 120.7° | 120.2° |
| C33 | C32 | C30 | 119.4° | 119.5° |
| C33 | C32 | H19 | 120.3° | 120.3° |
| C32 | C33 | H20 | 119.4° | 120.2° |
| C35 | N49 | C30 | 123.1° | 119.5° |
| C35 | N49 | N48 | 126.2° | 131.2° |
| C17 | C23 | C38 | 118.9° | 120.0° |
| C23 | C17 | H17 | 121.1° | 120.0° |
| O61 | C45 | C42 | 107.0° | 109.5° |
| O61 | C45 | H39 | 110.1° | 109.5° |
| O61 | C45 | H40 | 110.1° | 109.4° |
| C45 | C42 | C41 | 113.6° | 109.5° |
| C45 | C42 | H33 | 108.4° | 109.5° |
| C45 | C42 | H34 | 108.4° | 109.4° |
| C42 | C45 | H39 | 110.1° | 109.6° |
| C42 | C45 | H40 | 110.1° | 109.5° |
| C23 | C38 | H22 | 109.5° | 109.5° |
| C23 | C38 | H23 | 109.5° | 109.5° |
| C23 | C38 | H24 | 109.5° | 109.4° |
| C2 | C3 | C8 | 120.7° | 121.0° |
| C3 | C2 | H2 | 119.8° | 119.5° |
| C2 | C3 | H3 | 119.6° | 119.5° |
| C32 | C30 | N49 | 117.8° | 120.4° |
| C32 | C30 | C24 | 134.6° | 132.8° |
| C30 | C32 | H19 | 120.3° | 120.2° |
| C30 | N49 | N48 | 110.7° | 109.3° |
| N49 | C30 | C24 | 107.6° | 106.7° |
| N49 | N48 | C31 | 106.7° | 111.0° |
| C30 | C24 | C31 | 104.6° | 105.2° |
| C30 | C24 | C41 | 127.6° | 127.4° |
| N48 | C31 | C24 | 110.5° | 107.7° |
| N48 | C31 | C37 | 120.7° | 126.2° |
| C8 | C3 | H3 | 119.6° | 119.5° |
| C3 | C8 | H8 | 120.7° | 120.2° |
| C42 | C41 | C24 | 113.3° | 109.5° |
| C42 | C41 | H31 | 108.5° | 109.5° |
| C42 | C41 | H32 | 108.5° | 109.5° |
| C41 | C42 | H33 | 108.5° | 109.5° |
| C41 | C42 | H34 | 108.5° | 109.5° |
| C31 | C24 | C41 | 127.9° | 127.4° |
| C24 | C31 | C37 | 128.9° | 126.1° |
| C24 | C41 | H31 | 108.5° | 109.5° |
| C24 | C41 | H32 | 108.5° | 109.4° |
| C31 | C37 | O60 | 115.2° | 120.1° |
| C31 | C37 | O56 | 123.1° | 120.0° |
| O60 | C37 | O56 | 121.7° | 120.0° |
| C37 | O56 | H47 | 109.5° | 117.0° |
| H22 | C38 | H23 | 109.5° | 109.5° |
| H22 | C38 | H24 | 109.5° | 109.5° |
| H23 | C38 | H24 | 109.5° | 109.5° |
| H25 | C39 | H26 | 109.4° | 109.5° |
| H25 | C39 | H27 | 109.5° | 109.5° |
| H26 | C39 | H27 | 109.5° | 109.5° |
| H28 | C40 | H29 | 109.5° | 109.5° |
| H28 | C40 | H30 | 109.5° | 109.5° |
| H29 | C40 | H30 | 109.5° | 109.5° |
| H31 | C41 | H32 | 109.5° | 109.5° |
| H33 | C42 | H34 | 109.5° | 109.5° |
| H35 | C43 | H36 | 109.5° | 109.4° |
| H37 | C44 | H38 | 109.5° | 109.4° |
| H39 | C45 | H40 | 109.5° | 109.4° |
| H41 | C46 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | N52 | C40 | C44 | 116.0° | 124.0° |
| C39 | N52 | C44 | C43 | 116.7° | 170.0° |
| N52 | C39 | H25 | H26 | 120.0° | 120.0° |
| N52 | C39 | H25 | H27 | 120.0° | 120.0° |
| N52 | C39 | H26 | H27 | 120.0° | 120.0° |
| C39 | N52 | C40 | H28 | 180.0° | 60.0° |
| C39 | N52 | C40 | H29 | 60.0° | 180.0° |
| C39 | N52 | C40 | H30 | 60.0° | 60.0° |
| C39 | N52 | C44 | H37 | 3.5° | 49.9° |
| C39 | N52 | C44 | H38 | 123.2° | 70.0° |
| C40 | N52 | C44 | C43 | 128.9° | 66.0° |
| C40 | N52 | C39 | H25 | 180.0° | 56.0° |
| C40 | N52 | C39 | H26 | 60.0° | 176.0° |
| C40 | N52 | C39 | H27 | 60.0° | 63.9° |
| N52 | C40 | H28 | H29 | 120.0° | 119.9° |
| N52 | C40 | H28 | H30 | 120.0° | 120.1° |
| N52 | C40 | H29 | H30 | 120.0° | 120.0° |
| C40 | N52 | C44 | H37 | 110.9° | 173.9° |
| C40 | N52 | C44 | H38 | 8.8° | 54.0° |
| N52 | C44 | C43 | H37 | 120.2° | 120.1° |
| N52 | C44 | C43 | H38 | 120.2° | 119.9° |
| N52 | C44 | C43 | C47 | 179.9° | 176.3° |
| C44 | N52 | C39 | H25 | 64.4° | 180.0° |
| C44 | N52 | C39 | H26 | 175.6° | 60.0° |
| C44 | N52 | C39 | H27 | 55.7° | 60.0° |
| C44 | N52 | C40 | H28 | 64.0° | 64.0° |
| C44 | N52 | C40 | H29 | 56.0° | 56.0° |
| C44 | N52 | C40 | H30 | 176.0° | 176.0° |
| N52 | C44 | C43 | H35 | 59.8° | 63.7° |
| N52 | C44 | C43 | H36 | 60.0° | 56.3° |
| N52 | C44 | H37 | H38 | 119.5° | 119.9° |
| C44 | C43 | C47 | H35 | 120.1° | 120.0° |
| C44 | C43 | C47 | H36 | 120.1° | 120.0° |
| C44 | C43 | C47 | C46 | 130.0° | 175.6° |
| C44 | C43 | C47 | N50 | 112.4° | 64.4° |
| C44 | C43 | H35 | H36 | 119.7° | 120.0° |
| C43 | C44 | H37 | H38 | 119.6° | 120.1° |
| C44 | C43 | C47 | H43 | 9.8° | 55.6° |
| C43 | C47 | C46 | N50 | 118.1° | 120.0° |
| C43 | C47 | C46 | H43 | 120.4° | 120.0° |
| C43 | C47 | C46 | S62 | 152.5° | 180.0° |
| C43 | C47 | N50 | H43 | 121.7° | 120.0° |
| C43 | C47 | N50 | C25 | 116.2° | 104.0° |
| C47 | C43 | H35 | H36 | 119.7° | 119.9° |
| C47 | C43 | C44 | H37 | 60.0° | 63.7° |
| C47 | C43 | C44 | H38 | 59.7° | 56.3° |
| C43 | C47 | C46 | H41 | 31.8° | 60.0° |
| C43 | C47 | C46 | H42 | 86.7° | 60.0° |
| C43 | C47 | N50 | H44 | 5.0° | 76.0° |
| C47 | C46 | S62 | H41 | 120.7° | 120.0° |
| C47 | C46 | S62 | H42 | 120.7° | 120.0° |
| C46 | C47 | N50 | H43 | 120.9° | 120.0° |
| C47 | C46 | S62 | C28 | 68.1° | 180.0° |
| C46 | C47 | N50 | C25 | 126.4° | 136.1° |
| C46 | C47 | C43 | H35 | 109.9° | 64.3° |
| C46 | C47 | C43 | H36 | 9.9° | 55.6° |
| C47 | C46 | H41 | H42 | 117.7° | 120.0° |
| C46 | C47 | N50 | H44 | 112.4° | 44.0° |
| S62 | C46 | C47 | N50 | 34.4° | 60.0° |
| C46 | S62 | C28 | C15 | 58.3° | 180.0° |
| C46 | S62 | C28 | C14 | 121.6° | 0.9° |
| S62 | C46 | H41 | H42 | 117.7° | 120.0° |
| S62 | C46 | C47 | H43 | 87.1° | 60.0° |
| C47 | N50 | C25 | H44 | 121.2° | 179.9° |
| C47 | N50 | C25 | C12 | 3.0° | 7.2° |
| C47 | N50 | C25 | C26 | 177.2° | 172.8° |
| N50 | C47 | C43 | H35 | 7.7° | 55.7° |
| N50 | C47 | C43 | H36 | 127.5° | 175.6° |
| N50 | C47 | C46 | H41 | 86.3° | 60.0° |
| N50 | C47 | C46 | H42 | 155.2° | 180.0° |
| C5 | C15 | C28 | H15 | 180.0° | 179.5° |
| C15 | C5 | C1 | H5 | 180.0° | 179.9° |
| C5 | C15 | C28 | S62 | 179.9° | 179.9° |
| C5 | C15 | C28 | C14 | 0.0° | 0.8° |
| C15 | C5 | C1 | C4 | 0.4° | 0.0° |
| C15 | C5 | C1 | H1 | 179.6° | 179.7° |
| C28 | C15 | C5 | C1 | 0.2° | 0.5° |
| C15 | C28 | S62 | C14 | 179.9° | 179.2° |
| C15 | C28 | C14 | C4 | 0.1° | 0.5° |
| C28 | C15 | C5 | H5 | 179.8° | 179.4° |
| C15 | C28 | C14 | H14 | 179.9° | 179.5° |
| C5 | C1 | C4 | H1 | 180.0° | 179.7° |
| C5 | C1 | C4 | C14 | 0.5° | 0.3° |
| C5 | C1 | C4 | H4 | 179.5° | 179.8° |
| C1 | C5 | C15 | H15 | 179.9° | 180.0° |
| S62 | C28 | C14 | C4 | 179.8° | 179.7° |
| S62 | C28 | C14 | H14 | 0.2° | 0.3° |
| S62 | C28 | C15 | H15 | 0.1° | 0.6° |
| C28 | S62 | C46 | H41 | 171.2° | 60.0° |
| C28 | S62 | C46 | H42 | 52.7° | 60.0° |
| N50 | C25 | C12 | C26 | 179.9° | 180.0° |
| N50 | C25 | C12 | C16 | 179.2° | 180.0° |
| N50 | C25 | C26 | N53 | 0.5° | 0.0° |
| N50 | C25 | C26 | C18 | 179.0° | 180.0° |
| N50 | C25 | C12 | H12 | 0.8° | 0.2° |
| C25 | N50 | C47 | H43 | 5.5° | 16.0° |
| C28 | C14 | C4 | C1 | 0.3° | 0.1° |
| C28 | C14 | C4 | H14 | 180.0° | 180.0° |
| C28 | C14 | C4 | H4 | 179.7° | 180.0° |
| C14 | C28 | C15 | H15 | 180.0° | 179.7° |
| C25 | C12 | C16 | H12 | 180.0° | 179.8° |
| C25 | C12 | C16 | C29 | 0.0° | 0.1° |
| C12 | C25 | C26 | N53 | 179.6° | 180.0° |
| C12 | C25 | C26 | C18 | 1.1° | 0.0° |
| C25 | C12 | C16 | H16 | 180.0° | 180.0° |
| C12 | C25 | N50 | H44 | 118.2° | 172.7° |
| C16 | C12 | C25 | C26 | 1.0° | 0.0° |
| C12 | C16 | C29 | H16 | 180.0° | 179.9° |
| C12 | C16 | C29 | C18 | 0.8° | 0.1° |
| C12 | C16 | C29 | S63 | 179.6° | 180.0° |
| C1 | C4 | C14 | H4 | 180.0° | 179.9° |
| C4 | C1 | C5 | H5 | 179.6° | 180.0° |
| C1 | C4 | C14 | H14 | 179.7° | 180.0° |
| C25 | C26 | N53 | O54 | 15.8° | 6.5° |
| C25 | C26 | N53 | C18 | 178.6° | 180.0° |
| C25 | C26 | N53 | O57 | 163.6° | 173.4° |
| C25 | C26 | C18 | C29 | 0.3° | 0.0° |
| C26 | C25 | C12 | H12 | 179.1° | 179.8° |
| C25 | C26 | C18 | H18 | 179.7° | 180.0° |
| C26 | C25 | N50 | H44 | 61.7° | 7.3° |
| C14 | C4 | C1 | H1 | 179.5° | 180.0° |
| O54 | N53 | C26 | O57 | 179.4° | 180.0° |
| O54 | N53 | C26 | C18 | 165.6° | 173.4° |
| C16 | C29 | C18 | C26 | 0.7° | 0.1° |
| C16 | C29 | C18 | S63 | 179.5° | 179.9° |
| C16 | C29 | S63 | O58 | 38.0° | 156.4° |
| C16 | C29 | S63 | N51 | 78.5° | 90.0° |
| C16 | C29 | S63 | O59 | 169.7° | 23.5° |
| C29 | C16 | C12 | H12 | 180.0° | 179.8° |
| C16 | C29 | C18 | H18 | 179.3° | 180.0° |
| N53 | C26 | C18 | C29 | 178.8° | 180.0° |
| N53 | C26 | C18 | H18 | 1.2° | 0.0° |
| C18 | C26 | N53 | O57 | 15.1° | 6.6° |
| C26 | C18 | C29 | H18 | 180.0° | 180.0° |
| C26 | C18 | C29 | S63 | 179.8° | 180.0° |
| C18 | C29 | S63 | O58 | 141.6° | 23.5° |
| C18 | C29 | S63 | N51 | 101.9° | 90.1° |
| C18 | C29 | S63 | O59 | 9.8° | 156.4° |
| C18 | C29 | C16 | H16 | 179.2° | 180.0° |
| C29 | S63 | O58 | N51 | 110.2° | 114.1° |
| C29 | S63 | O58 | O59 | 123.5° | 122.9° |
| C29 | S63 | N51 | O59 | 113.6° | 113.6° |
| C29 | S63 | N51 | C36 | 96.1° | 65.0° |
| S63 | C29 | C16 | H16 | 0.4° | 0.1° |
| S63 | C29 | C18 | H18 | 0.3° | 0.1° |
| C29 | S63 | N51 | H45 | 83.9° | 115.0° |
| O55 | C36 | C22 | C11 | 43.2° | 180.0° |
| O55 | C36 | N51 | S63 | 7.6° | 0.0° |
| O55 | C36 | N51 | C22 | 177.6° | 180.0° |
| O55 | C36 | C22 | C17 | 137.4° | 0.1° |
| O55 | C36 | N51 | H45 | 172.4° | 180.0° |
| C9 | C6 | C13 | H6 | 180.0° | 178.9° |
| C6 | C9 | C19 | H9 | 180.0° | 178.9° |
| C9 | C6 | C13 | C27 | 0.6° | 1.1° |
| C6 | C9 | C19 | C7 | 179.8° | 180.0° |
| C6 | C9 | C19 | C20 | 0.7° | 0.6° |
| C9 | C6 | C13 | H13 | 179.4° | 180.0° |
| C13 | C6 | C9 | C19 | 0.9° | 1.1° |
| C6 | C13 | C27 | H13 | 180.0° | 178.9° |
| C6 | C13 | C27 | C20 | 0.2° | 0.5° |
| C6 | C13 | C27 | O61 | 180.0° | 179.4° |
| C13 | C6 | C9 | H9 | 179.2° | 180.0° |
| O58 | S63 | N51 | O59 | 134.6° | 132.9° |
| O58 | S63 | N51 | C36 | 15.8° | 48.5° |
| O58 | S63 | N51 | H45 | 164.2° | 131.4° |
| C9 | C19 | C7 | C20 | 179.2° | 179.5° |
| C9 | C19 | C7 | C2 | 179.5° | 179.9° |
| C9 | C19 | C20 | C27 | 0.3° | 0.0° |
| C9 | C19 | C20 | C8 | 179.2° | 179.8° |
| C19 | C9 | C6 | H6 | 179.1° | 180.0° |
| C9 | C19 | C7 | H7 | 0.5° | 0.0° |
| C10 | C11 | C22 | H11 | 180.0° | 180.0° |
| C10 | C11 | C22 | C36 | 180.0° | 180.0° |
| C11 | C10 | C21 | H10 | 180.0° | 179.7° |
| C10 | C11 | C22 | C17 | 0.5° | 0.0° |
| C11 | C10 | C21 | C35 | 179.5° | 179.7° |
| C11 | C10 | C21 | C23 | 0.0° | 0.3° |
| C11 | C22 | C36 | N51 | 134.5° | 0.0° |
| C11 | C22 | C36 | C17 | 179.4° | 180.0° |
| C22 | C11 | C10 | C21 | 0.3° | 0.0° |
| C11 | C22 | C17 | C23 | 0.3° | 0.2° |
| C22 | C11 | C10 | H10 | 179.7° | 179.7° |
| C11 | C22 | C17 | H17 | 179.7° | 179.8° |
| S63 | N51 | C36 | H45 | 180.0° | 180.0° |
| S63 | N51 | C36 | C22 | 174.9° | 180.0° |
| O59 | S63 | N51 | C36 | 150.4° | 178.6° |
| O59 | S63 | N51 | H45 | 29.7° | 1.4° |
| N51 | C36 | C22 | C17 | 44.9° | 179.9° |
| C36 | C22 | C17 | C23 | 179.7° | 179.7° |
| C36 | C22 | C11 | H11 | 0.1° | 0.0° |
| C36 | C22 | C17 | H17 | 0.3° | 0.2° |
| C22 | C36 | N51 | H45 | 5.2° | 0.0° |
| C10 | C21 | C35 | C34 | 65.4° | 105.0° |
| C10 | C21 | C35 | C23 | 179.5° | 180.0° |
| C10 | C21 | C35 | N49 | 112.4° | 75.1° |
| C10 | C21 | C23 | C17 | 0.2° | 0.6° |
| C10 | C21 | C23 | C38 | 179.2° | 180.0° |
| C21 | C10 | C11 | H11 | 179.7° | 180.0° |
| C13 | C27 | C20 | C19 | 0.0° | 0.0° |
| C13 | C27 | C20 | O61 | 179.8° | 179.9° |
| C13 | C27 | C20 | C8 | 179.4° | 179.7° |
| C13 | C27 | O61 | C45 | 0.9° | 0.1° |
| C27 | C13 | C6 | H6 | 179.3° | 180.0° |
| C22 | C17 | C23 | C21 | 0.0° | 0.5° |
| C22 | C17 | C23 | H17 | 180.0° | 179.5° |
| C22 | C17 | C23 | C38 | 179.4° | 180.0° |
| C17 | C22 | C11 | H11 | 179.5° | 180.0° |
| C19 | C7 | C2 | H7 | 180.0° | 179.9° |
| C7 | C19 | C20 | C27 | 179.4° | 179.5° |
| C7 | C19 | C20 | C8 | 0.0° | 0.8° |
| C19 | C7 | C2 | C3 | 0.3° | 0.0° |
| C19 | C7 | C2 | H2 | 179.7° | 179.7° |
| C7 | C19 | C9 | H9 | 0.2° | 1.0° |
| C20 | C19 | C7 | C2 | 0.3° | 0.5° |
| C19 | C20 | C27 | C8 | 179.5° | 179.7° |
| C19 | C20 | C27 | O61 | 179.9° | 179.9° |
| C19 | C20 | C8 | C3 | 0.3° | 0.5° |
| C20 | C19 | C7 | H7 | 179.7° | 179.4° |
| C19 | C20 | C8 | H8 | 179.8° | 179.5° |
| C20 | C19 | C9 | H9 | 179.3° | 179.5° |
| C7 | C2 | C3 | H2 | 180.0° | 179.7° |
| C7 | C2 | C3 | C8 | 0.0° | 0.3° |
| C7 | C2 | C3 | H3 | 180.0° | 179.7° |
| C33 | C34 | C35 | H21 | 180.0° | 180.0° |
| C33 | C34 | C35 | C21 | 179.5° | 180.0° |
| C34 | C33 | C32 | H20 | 180.0° | 179.9° |
| C33 | C34 | C35 | N49 | 1.7° | 0.0° |
| C34 | C33 | C32 | C30 | 0.3° | 0.1° |
| C34 | C33 | C32 | H19 | 179.7° | 180.0° |
| C34 | C35 | C21 | N49 | 177.8° | 180.0° |
| C34 | C35 | C21 | C23 | 115.1° | 75.0° |
| C35 | C34 | C33 | C32 | 0.9° | 0.1° |
| C34 | C35 | N49 | C30 | 1.4° | 0.0° |
| C34 | C35 | N49 | N48 | 179.5° | 179.7° |
| C35 | C34 | C33 | H20 | 179.1° | 179.9° |
| C20 | C27 | O61 | C45 | 179.3° | 180.0° |
| C27 | C20 | C8 | C3 | 179.7° | 179.7° |
| C27 | C20 | C8 | H8 | 0.3° | 0.3° |
| C20 | C27 | C13 | H13 | 179.8° | 179.4° |
| O61 | C27 | C20 | C8 | 0.4° | 0.2° |
| C27 | O61 | C45 | C42 | 173.8° | 180.0° |
| O61 | C27 | C13 | H13 | 0.0° | 0.5° |
| C27 | O61 | C45 | H39 | 54.2° | 59.9° |
| C27 | O61 | C45 | H40 | 66.6° | 60.1° |
| C35 | C21 | C23 | C17 | 179.3° | 179.5° |
| C35 | C21 | C23 | C38 | 1.4° | 0.0° |
| C21 | C35 | N49 | C30 | 179.2° | 180.0° |
| C21 | C35 | N49 | N48 | 1.7° | 0.3° |
| C35 | C21 | C10 | H10 | 0.5° | 0.0° |
| C21 | C35 | C34 | H21 | 0.5° | 0.0° |
| C23 | C21 | C35 | N49 | 67.1° | 105.0° |
| C21 | C23 | C17 | C38 | 179.4° | 179.4° |
| C23 | C21 | C10 | H10 | 180.0° | 180.0° |
| C21 | C23 | C17 | H17 | 179.9° | 180.0° |
| C21 | C23 | C38 | H22 | 90.3° | 89.4° |
| C21 | C23 | C38 | H23 | 149.7° | 30.6° |
| C21 | C23 | C38 | H24 | 29.7° | 150.6° |
| C20 | C8 | C3 | C2 | 0.3° | 0.0° |
| C20 | C8 | C3 | H8 | 180.0° | 180.0° |
| C20 | C8 | C3 | H3 | 179.7° | 180.0° |
| C33 | C32 | C30 | H19 | 180.0° | 179.9° |
| C33 | C32 | C30 | N49 | 0.7° | 0.1° |
| C33 | C32 | C30 | C24 | 179.7° | 180.0° |
| C32 | C33 | C34 | H21 | 179.1° | 180.0° |
| C35 | N49 | C30 | C32 | 0.2° | 0.1° |
| C35 | N49 | C30 | N48 | 179.2° | 179.8° |
| C35 | N49 | C30 | C24 | 179.6° | 180.0° |
| C35 | N49 | N48 | C31 | 179.6° | 179.8° |
| N49 | C35 | C34 | H21 | 178.3° | 180.0° |
| C17 | C23 | C38 | H22 | 90.3° | 90.0° |
| C17 | C23 | C38 | H23 | 29.7° | 150.0° |
| C17 | C23 | C38 | H24 | 149.7° | 30.0° |
| O61 | C45 | C42 | H39 | 119.6° | 120.1° |
| O61 | C45 | C42 | H40 | 119.6° | 119.9° |
| O61 | C45 | C42 | C41 | 67.9° | 180.0° |
| O61 | C45 | C42 | H33 | 52.7° | 59.9° |
| O61 | C45 | C42 | H34 | 171.4° | 60.1° |
| O61 | C45 | H39 | H40 | 121.2° | 119.9° |
| C45 | C42 | C41 | H33 | 120.6° | 120.0° |
| C45 | C42 | C41 | H34 | 120.6° | 119.9° |
| C45 | C42 | C41 | C24 | 68.5° | 180.0° |
| C45 | C42 | C41 | H31 | 52.1° | 60.0° |
| C45 | C42 | C41 | H32 | 171.0° | 60.1° |
| C45 | C42 | H33 | H34 | 118.1° | 120.0° |
| C42 | C45 | H39 | H40 | 121.1° | 120.0° |
| C38 | C23 | C17 | H17 | 0.7° | 0.5° |
| C23 | C38 | H22 | H23 | 120.0° | 120.0° |
| C23 | C38 | H22 | H24 | 120.0° | 119.9° |
| C23 | C38 | H23 | H24 | 120.0° | 119.9° |
| C2 | C3 | C8 | H3 | 180.0° | 180.0° |
| C3 | C2 | C7 | H7 | 179.7° | 180.0° |
| C2 | C3 | C8 | H8 | 179.7° | 180.0° |
| C32 | C30 | N49 | C24 | 179.7° | 179.9° |
| C32 | C30 | N49 | N48 | 179.4° | 179.7° |
| C32 | C30 | C24 | C31 | 179.5° | 180.0° |
| C32 | C30 | C24 | C41 | 0.2° | 0.3° |
| C30 | C32 | C33 | H20 | 179.7° | 179.9° |
| C30 | N49 | N48 | C31 | 0.4° | 0.4° |
| N49 | C30 | C24 | C31 | 0.1° | 0.0° |
| N49 | C30 | C24 | C41 | 179.4° | 179.7° |
| N49 | C30 | C32 | H19 | 179.3° | 180.0° |
| N48 | N49 | C30 | C24 | 0.3° | 0.2° |
| N49 | N48 | C31 | C24 | 0.3° | 0.4° |
| N49 | N48 | C31 | C37 | 179.8° | 179.6° |
| C30 | C24 | C31 | N48 | 0.1° | 0.3° |
| C30 | C24 | C41 | C42 | 94.8° | 89.7° |
| C30 | C24 | C31 | C41 | 179.3° | 179.7° |
| C30 | C24 | C31 | C37 | 179.5° | 179.8° |
| C24 | C30 | C32 | H19 | 0.3° | 0.1° |
| C30 | C24 | C41 | H31 | 25.7° | 30.4° |
| C30 | C24 | C41 | H32 | 144.6° | 150.3° |
| N48 | C31 | C24 | C37 | 179.5° | 180.0° |
| N48 | C31 | C24 | C41 | 179.2° | 180.0° |
| N48 | C31 | C37 | O60 | 13.6° | 180.0° |
| N48 | C31 | C37 | O56 | 165.4° | 0.1° |
| C8 | C3 | C2 | H2 | 180.0° | 180.0° |
| C42 | C41 | C24 | C31 | 86.0° | 89.9° |
| C42 | C41 | C24 | H31 | 120.6° | 120.1° |
| C42 | C41 | C24 | H32 | 120.6° | 120.0° |
| C42 | C41 | H31 | H32 | 118.3° | 120.0° |
| C41 | C42 | H33 | H34 | 118.1° | 120.0° |
| C41 | C42 | C45 | H39 | 172.4° | 60.0° |
| C41 | C42 | C45 | H40 | 51.6° | 60.0° |
| C24 | C31 | C37 | O60 | 167.0° | 0.0° |
| C24 | C31 | C37 | O56 | 14.0° | 180.0° |
| C31 | C24 | C41 | H31 | 153.4° | 150.0° |
| C31 | C24 | C41 | H32 | 34.5° | 30.1° |
| C41 | C24 | C31 | C37 | 0.3° | 0.1° |
| C24 | C41 | H31 | H32 | 118.2° | 119.9° |
| C24 | C41 | C42 | H33 | 170.9° | 60.0° |
| C24 | C41 | C42 | H34 | 52.2° | 60.1° |
| C31 | C37 | O60 | O56 | 179.0° | 180.0° |
| C31 | C37 | O56 | H47 | 178.9° | 180.0° |
| O60 | C37 | O56 | H47 | 0.0° | 0.0° |
| H1 | C1 | C4 | H4 | 0.5° | 0.1° |
| H1 | C1 | C5 | H5 | 0.4° | 0.3° |
| H2 | C2 | C3 | H3 | 0.0° | 0.0° |
| H2 | C2 | C7 | H7 | 0.3° | 0.4° |
| H3 | C3 | C8 | H8 | 0.3° | 0.0° |
| H4 | C4 | C14 | H14 | 0.3° | 0.0° |
| H5 | C5 | C15 | H15 | 0.2° | 0.1° |
| H6 | C6 | C9 | H9 | 0.9° | 1.0° |
| H6 | C6 | C13 | H13 | 0.7° | 1.1° |
| H10 | C10 | C11 | H11 | 0.3° | 0.3° |
| H12 | C12 | C16 | H16 | 0.0° | 0.2° |
| H19 | C32 | C33 | H20 | 0.3° | 0.1° |
| H20 | C33 | C34 | H21 | 0.9° | 0.1° |
| H22 | C38 | H23 | H24 | 120.0° | 120.1° |
| H25 | C39 | H26 | H27 | 120.0° | 120.0° |
| H28 | C40 | H29 | H30 | 120.0° | 120.0° |
| H31 | C41 | C42 | H33 | 68.5° | 180.0° |
| H31 | C41 | C42 | H34 | 172.7° | 60.0° |
| H32 | C41 | C42 | H33 | 50.4° | 60.0° |
| H32 | C41 | C42 | H34 | 68.4° | 180.0° |
| H33 | C42 | C45 | H39 | 66.9° | 180.0° |
| H33 | C42 | C45 | H40 | 172.3° | 60.0° |
| H34 | C42 | C45 | H39 | 51.8° | 60.0° |
| H34 | C42 | C45 | H40 | 69.0° | 180.0° |
| H35 | C43 | C44 | H37 | 179.9° | 56.3° |
| H35 | C43 | C44 | H38 | 60.4° | 176.3° |
| H35 | C43 | C47 | H43 | 129.9° | 175.7° |
| H36 | C43 | C44 | H37 | 60.1° | 176.3° |
| H36 | C43 | C44 | H38 | 179.8° | 63.7° |
| H36 | C43 | C47 | H43 | 110.3° | 64.4° |
| H41 | C46 | C47 | H43 | 152.1° | 180.0° |
| H42 | C46 | C47 | H43 | 33.6° | 60.0° |
| H43 | C47 | N50 | H44 | 126.7° | 164.0° |
