1Y1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| H2 | C2 | sing | 1.08Å | 1.08Å | |
| C21 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| H5 | C5 | sing | 1.08Å | 1.08Å | |
| C5 | C7 | doub | 1.37Å | 1.39Å | Aromatic |
| C5 | C22 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| CL6 | C32 | sing | 1.74Å | 1.70Å | |
| H7 | C7 | sing | 1.08Å | 1.08Å | |
| C7 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| H10 | C10 | sing | 1.08Å | 1.08Å | |
| C28 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| H11 | C11 | sing | 1.08Å | 1.08Å | |
| C31 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C32 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| H12 | C12 | sing | 1.08Å | 1.08Å | |
| C32 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| H13 | C13 | sing | 1.08Å | 1.08Å | |
| C19 | C14 | sing | 1.47Å | 1.42Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | C18 | doub | 1.34Å | 1.38Å | Aromatic |
| C28 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| H15 | C15 | sing | 1.08Å | 1.08Å | |
| C15 | C19 | sing | 1.40Å | 1.38Å | Aromatic |
| C25 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C31 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| H17 | C17 | sing | 1.08Å | 1.08Å | |
| C17 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| N49 | C18 | sing | 1.37Å | 1.36Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C24 | doub | 1.41Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.48Å | 1.44Å | |
| C21 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | C22 | sing | 1.47Å | 1.50Å | |
| C22 | C30 | doub | 1.40Å | 1.38Å | Aromatic |
| C45 | C23 | sing | 1.51Å | 1.52Å | |
| C23 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | N49 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | N50 | sing | 1.39Å | 1.43Å | |
| C27 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | N52 | sing | 1.40Å | 1.42Å | |
| C27 | N55 | sing | 1.48Å | 1.45Å | |
| O62 | C28 | sing | 1.36Å | 1.37Å | |
| C29 | O63 | sing | 1.36Å | 1.41Å | |
| C30 | O62 | sing | 1.36Å | 1.38Å | |
| S64 | C31 | sing | 1.76Å | 1.79Å | |
| N53 | C33 | sing | 1.35Å | 1.42Å | |
| C33 | O57 | doub | 1.22Å | 1.23Å | |
| C42 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | C40 | sing | 1.53Å | 1.52Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C42 | C35 | sing | 1.53Å | 1.52Å | |
| C35 | C41 | sing | 1.53Å | 1.52Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| N50 | C36 | sing | 1.47Å | 1.46Å | |
| C36 | C38 | sing | 1.53Å | 1.51Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | C39 | sing | 1.53Å | 1.52Å | |
| C37 | N50 | sing | 1.47Å | 1.47Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| N51 | C38 | sing | 1.47Å | 1.50Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C39 | N51 | sing | 1.47Å | 1.49Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C40 | O61 | sing | 1.43Å | 1.43Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C41 | O61 | sing | 1.43Å | 1.43Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C46 | C42 | sing | 1.53Å | 1.52Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| N54 | C43 | sing | 1.47Å | 1.52Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C43 | H43B | sing | 1.09Å | 1.10Å | |
| C44 | N54 | sing | 1.47Å | 1.49Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C44 | H44B | sing | 1.09Å | 1.10Å | |
| N51 | C45 | sing | 1.47Å | 1.52Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| N52 | C46 | sing | 1.47Å | 1.46Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C48 | C47 | sing | 1.53Å | 1.52Å | |
| C47 | N54 | sing | 1.47Å | 1.49Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| O63 | C48 | sing | 1.43Å | 1.44Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| N49 | HN49 | sing | 0.97Å | 1.00Å | |
| N52 | HN52 | sing | 0.97Å | 1.00Å | |
| N53 | S64 | sing | 1.66Å | 1.74Å | |
| N53 | HN53 | sing | 0.97Å | 1.00Å | |
| O56 | N55 | doub | 1.22Å | 1.23Å | |
| N55 | O58 | sing | 1.22Å | 1.23Å | |
| O59 | S64 | doub | 1.42Å | 1.45Å | |
| O60 | S64 | doub | 1.42Å | 1.44Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 120.2° | 120.0° |
| C2 | C1 | C9 | 119.7° | 120.1° |
| C1 | C2 | H2 | 119.9° | 120.0° |
| C1 | C2 | C21 | 120.3° | 120.0° |
| H1 | C1 | C9 | 120.2° | 119.9° |
| C1 | C9 | C29 | 121.4° | 120.2° |
| C1 | C9 | H9 | 119.3° | 119.8° |
| H2 | C2 | C21 | 119.9° | 120.0° |
| C2 | C21 | C20 | 114.1° | 120.1° |
| C2 | C21 | C23 | 120.7° | 119.8° |
| C12 | C3 | H3 | 119.9° | 120.0° |
| C12 | C3 | C20 | 120.2° | 119.9° |
| C3 | C12 | C32 | 119.1° | 120.1° |
| C3 | C12 | H12 | 120.5° | 119.9° |
| H3 | C3 | C20 | 119.9° | 120.1° |
| C3 | C20 | C4 | 119.7° | 119.8° |
| C3 | C20 | C21 | 120.5° | 120.1° |
| C13 | C4 | H4 | 119.8° | 120.0° |
| C13 | C4 | C20 | 120.4° | 119.9° |
| C4 | C13 | C32 | 118.7° | 120.1° |
| C4 | C13 | H13 | 120.6° | 120.0° |
| H4 | C4 | C20 | 119.8° | 120.1° |
| C4 | C20 | C21 | 119.8° | 120.1° |
| H5 | C5 | C7 | 119.3° | 120.0° |
| H5 | C5 | C22 | 119.3° | 120.0° |
| C7 | C5 | C22 | 121.4° | 120.1° |
| C5 | C7 | H7 | 118.8° | 119.8° |
| C5 | C7 | C25 | 122.4° | 120.4° |
| C5 | C22 | C33 | 121.0° | 120.1° |
| C5 | C22 | C30 | 116.6° | 119.8° |
| C10 | C6 | H6 | 122.1° | 120.0° |
| C10 | C6 | C24 | 115.9° | 120.0° |
| C6 | C10 | H10 | 119.6° | 119.7° |
| C6 | C10 | C28 | 120.8° | 120.6° |
| H6 | C6 | C24 | 122.0° | 120.0° |
| C6 | C24 | C19 | 123.6° | 119.5° |
| C6 | C24 | N49 | 129.3° | 133.4° |
| CL6 | C32 | C12 | 119.2° | 119.9° |
| CL6 | C32 | C13 | 119.1° | 119.9° |
| H7 | C7 | C25 | 118.8° | 119.8° |
| C7 | C25 | C16 | 115.5° | 120.2° |
| C7 | C25 | N50 | 125.7° | 119.9° |
| C11 | C8 | H8 | 119.1° | 120.1° |
| C11 | C8 | C26 | 121.9° | 119.9° |
| C8 | C11 | H11 | 119.9° | 120.0° |
| C8 | C11 | C31 | 120.3° | 120.1° |
| H8 | C8 | C26 | 119.1° | 120.0° |
| C8 | C26 | C27 | 116.6° | 119.8° |
| C8 | C26 | N52 | 121.5° | 120.1° |
| C29 | C9 | H9 | 119.3° | 120.0° |
| C9 | C29 | C23 | 119.9° | 120.0° |
| C9 | C29 | O63 | 117.5° | 120.0° |
| H10 | C10 | C28 | 119.6° | 119.6° |
| C10 | C28 | C15 | 123.3° | 120.2° |
| C10 | C28 | O62 | 114.2° | 119.9° |
| H11 | C11 | C31 | 119.8° | 119.9° |
| C11 | C31 | C17 | 120.0° | 120.1° |
| C11 | C31 | S64 | 118.1° | 120.0° |
| C32 | C12 | H12 | 120.5° | 120.0° |
| C12 | C32 | C13 | 121.7° | 120.2° |
| C32 | C13 | H13 | 120.6° | 119.9° |
| C19 | C14 | H14 | 126.6° | 126.5° |
| C19 | C14 | C18 | 106.8° | 107.0° |
| C14 | C19 | C15 | 132.1° | 133.9° |
| C14 | C19 | C24 | 108.0° | 106.0° |
| H14 | C14 | C18 | 126.6° | 126.5° |
| C14 | C18 | N49 | 107.9° | 110.0° |
| C14 | C18 | H18 | 126.0° | 125.0° |
| C28 | C15 | H15 | 121.8° | 120.2° |
| C28 | C15 | C19 | 116.4° | 119.5° |
| C15 | C28 | O62 | 122.5° | 119.8° |
| H15 | C15 | C19 | 121.8° | 120.3° |
| C15 | C19 | C24 | 119.9° | 120.1° |
| C25 | C16 | C30 | 121.9° | 119.9° |
| C25 | C16 | H16 | 119.1° | 120.0° |
| C16 | C25 | N50 | 118.8° | 119.9° |
| C30 | C16 | H16 | 119.1° | 120.1° |
| C16 | C30 | C22 | 122.2° | 119.7° |
| C16 | C30 | O62 | 116.6° | 120.1° |
| C31 | C17 | H17 | 120.6° | 120.0° |
| C31 | C17 | C27 | 118.9° | 120.0° |
| C17 | C31 | S64 | 121.8° | 119.9° |
| H17 | C17 | C27 | 120.6° | 120.0° |
| C17 | C27 | C26 | 122.3° | 119.9° |
| C17 | C27 | N55 | 116.5° | 120.0° |
| N49 | C18 | H18 | 126.1° | 125.0° |
| C18 | N49 | C24 | 110.2° | 109.8° |
| C18 | N49 | HN49 | 124.9° | 125.1° |
| C19 | C24 | N49 | 107.1° | 107.1° |
| C20 | C21 | C23 | 125.2° | 120.2° |
| C21 | C23 | C45 | 121.8° | 120.1° |
| C21 | C23 | C29 | 118.0° | 119.9° |
| C33 | C22 | C30 | 122.3° | 120.1° |
| C22 | C33 | N53 | 115.8° | 120.0° |
| C22 | C33 | O57 | 124.2° | 120.0° |
| C22 | C30 | O62 | 121.2° | 120.2° |
| C45 | C23 | C29 | 120.1° | 120.1° |
| C23 | C45 | N51 | 114.3° | 109.4° |
| C23 | C45 | H45 | 108.3° | 109.5° |
| C23 | C45 | H45A | 108.2° | 109.5° |
| C23 | C29 | O63 | 122.5° | 120.0° |
| C24 | N49 | HN49 | 124.9° | 125.1° |
| C25 | N50 | C36 | 115.3° | 111.0° |
| C25 | N50 | C37 | 115.0° | 111.0° |
| C27 | C26 | N52 | 121.9° | 120.0° |
| C26 | C27 | N55 | 121.2° | 120.1° |
| C26 | N52 | C46 | 117.5° | 120.0° |
| C26 | N52 | HN52 | 107.4° | 120.0° |
| C27 | N55 | O56 | 118.0° | 120.0° |
| C27 | N55 | O58 | 120.3° | 120.0° |
| C28 | O62 | C30 | 118.0° | 118.0° |
| C29 | O63 | C48 | 111.8° | 117.0° |
| C31 | S64 | N53 | 111.2° | 107.2° |
| C31 | S64 | O59 | 105.2° | 106.4° |
| C31 | S64 | O60 | 106.3° | 106.4° |
| N53 | C33 | O57 | 119.7° | 120.0° |
| C33 | N53 | S64 | 121.0° | 120.0° |
| C33 | N53 | HN53 | 119.5° | 120.0° |
| C42 | C34 | C40 | 112.8° | 109.2° |
| C42 | C34 | H34 | 108.7° | 109.6° |
| C42 | C34 | H34A | 108.6° | 109.5° |
| C34 | C42 | C35 | 112.3° | 109.1° |
| C34 | C42 | C46 | 114.9° | 109.6° |
| C34 | C42 | H42 | 107.1° | 109.5° |
| C40 | C34 | H34 | 108.6° | 109.5° |
| C40 | C34 | H34A | 108.7° | 109.5° |
| C34 | C40 | O61 | 109.5° | 109.4° |
| C34 | C40 | H40 | 109.5° | 109.5° |
| C34 | C40 | H40A | 109.5° | 109.5° |
| H34 | C34 | H34A | 109.5° | 109.5° |
| C42 | C35 | C41 | 112.6° | 109.1° |
| C42 | C35 | H35 | 108.7° | 109.5° |
| C42 | C35 | H35A | 108.7° | 109.6° |
| C35 | C42 | C46 | 108.1° | 109.6° |
| C35 | C42 | H42 | 107.0° | 109.6° |
| C41 | C35 | H35 | 108.7° | 109.5° |
| C41 | C35 | H35A | 108.7° | 109.6° |
| C35 | C41 | O61 | 111.6° | 109.4° |
| C35 | C41 | H41 | 109.0° | 109.5° |
| C35 | C41 | H41A | 108.9° | 109.5° |
| H35 | C35 | H35A | 109.5° | 109.6° |
| N50 | C36 | C38 | 109.7° | 109.3° |
| N50 | C36 | H36 | 109.4° | 109.5° |
| N50 | C36 | H36A | 109.4° | 109.5° |
| C36 | N50 | C37 | 114.7° | 110.9° |
| C38 | C36 | H36 | 109.4° | 109.5° |
| C38 | C36 | H36A | 109.4° | 109.5° |
| C36 | C38 | N51 | 110.2° | 109.4° |
| C36 | C38 | H38 | 109.3° | 109.4° |
| C36 | C38 | H38A | 109.3° | 109.5° |
| H36 | C36 | H36A | 109.5° | 109.5° |
| C39 | C37 | N50 | 111.2° | 109.4° |
| C39 | C37 | H37 | 109.0° | 109.5° |
| C39 | C37 | H37A | 109.0° | 109.5° |
| C37 | C39 | N51 | 110.4° | 109.3° |
| C37 | C39 | H39 | 109.2° | 109.5° |
| C37 | C39 | H39A | 109.2° | 109.5° |
| N50 | C37 | H37 | 109.0° | 109.5° |
| N50 | C37 | H37A | 109.1° | 109.5° |
| H37 | C37 | H37A | 109.5° | 109.5° |
| N51 | C38 | H38 | 109.3° | 109.4° |
| N51 | C38 | H38A | 109.3° | 109.5° |
| C38 | N51 | C39 | 111.0° | 110.9° |
| C38 | N51 | C45 | 114.1° | 111.0° |
| H38 | C38 | H38A | 109.4° | 109.5° |
| N51 | C39 | H39 | 109.2° | 109.5° |
| N51 | C39 | H39A | 109.2° | 109.5° |
| C39 | N51 | C45 | 113.0° | 110.9° |
| H39 | C39 | H39A | 109.5° | 109.5° |
| O61 | C40 | H40 | 109.4° | 109.5° |
| O61 | C40 | H40A | 109.4° | 109.5° |
| C40 | O61 | C41 | 111.9° | 114.1° |
| H40 | C40 | H40A | 109.5° | 109.5° |
| O61 | C41 | H41 | 108.9° | 109.5° |
| O61 | C41 | H41A | 109.0° | 109.5° |
| H41 | C41 | H41A | 109.4° | 109.5° |
| C46 | C42 | H42 | 107.0° | 109.6° |
| C42 | C46 | N52 | 116.3° | 109.5° |
| C42 | C46 | H46 | 107.7° | 109.5° |
| C42 | C46 | H46A | 107.7° | 109.4° |
| N54 | C43 | H43 | 109.5° | 109.4° |
| N54 | C43 | H43A | 109.4° | 109.5° |
| N54 | C43 | H43B | 109.5° | 109.4° |
| C43 | N54 | C44 | 116.8° | 111.0° |
| C43 | N54 | C47 | 117.5° | 111.0° |
| H43 | C43 | H43A | 109.5° | 109.5° |
| H43 | C43 | H43B | 109.5° | 109.5° |
| H43A | C43 | H43B | 109.5° | 109.5° |
| N54 | C44 | H44 | 109.5° | 109.5° |
| N54 | C44 | H44A | 109.5° | 109.5° |
| N54 | C44 | H44B | 109.5° | 109.5° |
| C44 | N54 | C47 | 114.8° | 111.0° |
| H44 | C44 | H44A | 109.5° | 109.5° |
| H44 | C44 | H44B | 109.4° | 109.5° |
| H44A | C44 | H44B | 109.5° | 109.4° |
| N51 | C45 | H45 | 108.3° | 109.5° |
| N51 | C45 | H45A | 108.3° | 109.5° |
| H45 | C45 | H45A | 109.4° | 109.5° |
| N52 | C46 | H46 | 107.7° | 109.5° |
| N52 | C46 | H46A | 107.7° | 109.5° |
| C46 | N52 | HN52 | 107.4° | 120.0° |
| H46 | C46 | H46A | 109.5° | 109.5° |
| C48 | C47 | N54 | 118.4° | 109.5° |
| C48 | C47 | H47 | 107.2° | 109.4° |
| C48 | C47 | H47A | 107.2° | 109.5° |
| C47 | C48 | O63 | 113.3° | 109.4° |
| C47 | C48 | H48 | 108.5° | 109.5° |
| C47 | C48 | H48A | 108.5° | 109.5° |
| N54 | C47 | H47 | 107.2° | 109.4° |
| N54 | C47 | H47A | 107.2° | 109.5° |
| H47 | C47 | H47A | 109.5° | 109.5° |
| O63 | C48 | H48 | 108.5° | 109.4° |
| O63 | C48 | H48A | 108.5° | 109.4° |
| H48 | C48 | H48A | 109.5° | 109.5° |
| S64 | N53 | HN53 | 119.5° | 120.0° |
| N53 | S64 | O59 | 107.0° | 106.4° |
| N53 | S64 | O60 | 104.9° | 106.4° |
| O56 | N55 | O58 | 121.7° | 120.0° |
| O59 | S64 | O60 | 122.2° | 123.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | C9 | 180.0° | 179.7° |
| C1 | C2 | H2 | C21 | 180.0° | 179.9° |
| C2 | C1 | C9 | C29 | 2.5° | 0.3° |
| C2 | C1 | C9 | H9 | 177.5° | 179.7° |
| C1 | C2 | C21 | C20 | 180.0° | 180.0° |
| C1 | C2 | C21 | C23 | 0.3° | 0.0° |
| H1 | C1 | C2 | H2 | 1.5° | 0.1° |
| H1 | C1 | C2 | C21 | 178.5° | 180.0° |
| H1 | C1 | C9 | C29 | 177.5° | 180.0° |
| H1 | C1 | C9 | H9 | 2.5° | 0.1° |
| C9 | C1 | C2 | H2 | 178.5° | 179.8° |
| C9 | C1 | C2 | C21 | 1.5° | 0.3° |
| C1 | C9 | C29 | H9 | 180.0° | 180.0° |
| C1 | C9 | C29 | C23 | 1.6° | 0.0° |
| C1 | C9 | C29 | O63 | 178.3° | 179.7° |
| H2 | C2 | C21 | C20 | 0.0° | 0.0° |
| H2 | C2 | C21 | C23 | 179.7° | 180.0° |
| C2 | C21 | C20 | C3 | 120.5° | 56.1° |
| C2 | C21 | C20 | C4 | 57.6° | 123.9° |
| C2 | C21 | C20 | C23 | 179.7° | 180.0° |
| C2 | C21 | C23 | C45 | 176.4° | 180.0° |
| C2 | C21 | C23 | C29 | 1.1° | 0.3° |
| C12 | C3 | H3 | C20 | 180.0° | 179.7° |
| C12 | C3 | C20 | C4 | 3.1° | 0.3° |
| C3 | C12 | C32 | CL6 | 177.6° | 180.0° |
| C3 | C12 | C32 | H12 | 180.0° | 179.9° |
| C3 | C12 | C32 | C13 | 2.3° | 0.1° |
| C12 | C3 | C20 | C21 | 178.7° | 179.7° |
| H3 | C3 | C20 | C4 | 176.9° | 180.0° |
| H3 | C3 | C12 | C32 | 179.6° | 180.0° |
| H3 | C3 | C12 | H12 | 0.3° | 0.0° |
| H3 | C3 | C20 | C21 | 1.3° | 0.0° |
| C3 | C20 | C4 | C13 | 3.3° | 0.0° |
| C3 | C20 | C4 | H4 | 176.7° | 179.9° |
| C3 | C20 | C4 | C21 | 178.2° | 180.0° |
| C20 | C3 | C12 | C32 | 0.4° | 0.4° |
| C20 | C3 | C12 | H12 | 179.6° | 179.7° |
| C3 | C20 | C21 | C23 | 59.8° | 123.9° |
| C13 | C4 | H4 | C20 | 180.0° | 179.9° |
| C4 | C13 | C32 | CL6 | 177.8° | 179.7° |
| C4 | C13 | C32 | C12 | 2.1° | 0.2° |
| C4 | C13 | C32 | H13 | 180.0° | 179.7° |
| C13 | C4 | C20 | C21 | 178.5° | 180.0° |
| H4 | C4 | C13 | C32 | 179.3° | 179.8° |
| H4 | C4 | C13 | H13 | 0.7° | 0.1° |
| H4 | C4 | C20 | C21 | 1.5° | 0.1° |
| C20 | C4 | C13 | C32 | 0.7° | 0.3° |
| C20 | C4 | C13 | H13 | 179.3° | 180.0° |
| C4 | C20 | C21 | C23 | 122.0° | 56.1° |
| H5 | C5 | C7 | C22 | 180.0° | 179.7° |
| H5 | C5 | C7 | H7 | 1.3° | 0.4° |
| H5 | C5 | C7 | C25 | 178.7° | 179.7° |
| H5 | C5 | C22 | C33 | 2.7° | 0.3° |
| H5 | C5 | C22 | C30 | 178.2° | 179.7° |
| C5 | C7 | H7 | C25 | 180.0° | 179.9° |
| C5 | C7 | C25 | C16 | 0.2° | 0.0° |
| C7 | C5 | C22 | C33 | 177.3° | 180.0° |
| C7 | C5 | C22 | C30 | 1.8° | 0.0° |
| C5 | C7 | C25 | N50 | 178.0° | 180.0° |
| C22 | C5 | C7 | H7 | 178.7° | 179.9° |
| C22 | C5 | C7 | C25 | 1.3° | 0.0° |
| C5 | C22 | C30 | C16 | 0.9° | 0.0° |
| C5 | C22 | C33 | C30 | 175.2° | 180.0° |
| C5 | C22 | C30 | O62 | 179.8° | 180.0° |
| C5 | C22 | C33 | N53 | 163.3° | 0.0° |
| C5 | C22 | C33 | O57 | 23.7° | 180.0° |
| C10 | C6 | H6 | C24 | 180.0° | 179.6° |
| C6 | C10 | H10 | C28 | 180.0° | 180.0° |
| C6 | C10 | C28 | C15 | 1.0° | 0.0° |
| C10 | C6 | C24 | C19 | 0.9° | 0.4° |
| C10 | C6 | C24 | N49 | 177.9° | 179.7° |
| C6 | C10 | C28 | O62 | 179.4° | 179.9° |
| H6 | C6 | C10 | H10 | 1.5° | 0.1° |
| H6 | C6 | C10 | C28 | 178.5° | 179.9° |
| H6 | C6 | C24 | C19 | 179.1° | 180.0° |
| H6 | C6 | C24 | N49 | 2.1° | 0.1° |
| C24 | C6 | C10 | H10 | 178.5° | 179.7° |
| C24 | C6 | C10 | C28 | 1.5° | 0.4° |
| C6 | C24 | C19 | C14 | 178.6° | 179.9° |
| C6 | C24 | C19 | C15 | 0.2° | 0.1° |
| C6 | C24 | N49 | C18 | 178.6° | 180.0° |
| C6 | C24 | C19 | N49 | 179.1° | 179.9° |
| C6 | C24 | N49 | HN49 | 1.4° | 0.1° |
| CL6 | C32 | C12 | C13 | 179.9° | 179.9° |
| CL6 | C32 | C12 | H12 | 2.4° | 0.1° |
| CL6 | C32 | C13 | H13 | 2.3° | 0.0° |
| H7 | C7 | C25 | C16 | 179.8° | 179.9° |
| H7 | C7 | C25 | N50 | 2.0° | 0.0° |
| C7 | C25 | C16 | N50 | 178.0° | 179.9° |
| C7 | C25 | C16 | C30 | 1.1° | 0.1° |
| C7 | C25 | C16 | H16 | 178.9° | 180.0° |
| C7 | C25 | N50 | C36 | 6.8° | 123.8° |
| C7 | C25 | N50 | C37 | 130.2° | 0.0° |
| C11 | C8 | H8 | C26 | 180.0° | 179.7° |
| C8 | C11 | H11 | C31 | 180.0° | 180.0° |
| C8 | C11 | C31 | C17 | 0.1° | 0.1° |
| C11 | C8 | C26 | C27 | 0.2° | 0.2° |
| C11 | C8 | C26 | N52 | 178.8° | 179.7° |
| C8 | C11 | C31 | S64 | 178.1° | 180.0° |
| H8 | C8 | C11 | H11 | 0.4° | 0.0° |
| H8 | C8 | C11 | C31 | 179.5° | 180.0° |
| H8 | C8 | C26 | C27 | 179.8° | 179.9° |
| H8 | C8 | C26 | N52 | 1.1° | 0.0° |
| C26 | C8 | C11 | H11 | 179.6° | 179.7° |
| C26 | C8 | C11 | C31 | 0.4° | 0.3° |
| C8 | C26 | C27 | C17 | 0.7° | 0.1° |
| C8 | C26 | C27 | N52 | 178.7° | 179.9° |
| C8 | C26 | C27 | N55 | 179.6° | 179.7° |
| C8 | C26 | N52 | C46 | 14.1° | 6.3° |
| C8 | C26 | N52 | HN52 | 135.2° | 173.6° |
| C9 | C29 | C23 | C21 | 0.2° | 0.3° |
| C9 | C29 | C23 | C45 | 177.3° | 180.0° |
| C9 | C29 | C23 | O63 | 176.5° | 179.8° |
| C9 | C29 | O63 | C48 | 54.5° | 0.3° |
| H9 | C9 | C29 | C23 | 178.4° | 180.0° |
| H9 | C9 | C29 | O63 | 1.8° | 0.2° |
| H10 | C10 | C28 | C15 | 179.0° | 180.0° |
| H10 | C10 | C28 | O62 | 0.6° | 0.1° |
| C10 | C28 | C15 | O62 | 179.6° | 179.9° |
| C10 | C28 | C15 | H15 | 179.8° | 180.0° |
| C10 | C28 | C15 | C19 | 0.3° | 0.3° |
| C10 | C28 | O62 | C30 | 169.9° | 102.3° |
| H11 | C11 | C31 | C17 | 179.8° | 180.0° |
| H11 | C11 | C31 | S64 | 1.9° | 0.0° |
| C11 | C31 | C17 | S64 | 177.9° | 179.9° |
| C11 | C31 | C17 | H17 | 179.1° | 179.9° |
| C11 | C31 | C17 | C27 | 0.9° | 0.3° |
| C11 | C31 | S64 | N53 | 108.9° | 90.0° |
| C11 | C31 | S64 | O59 | 135.6° | 156.5° |
| C11 | C31 | S64 | O60 | 4.7° | 23.6° |
| C12 | C32 | C13 | H13 | 177.9° | 179.9° |
| H12 | C12 | C32 | C13 | 177.7° | 180.0° |
| C19 | C14 | H14 | C18 | 180.0° | 179.8° |
| C14 | C19 | C15 | C28 | 177.7° | 179.7° |
| C14 | C19 | C15 | H15 | 2.3° | 0.1° |
| C14 | C19 | C15 | C24 | 178.5° | 180.0° |
| C19 | C14 | C18 | N49 | 0.1° | 0.1° |
| C19 | C14 | C18 | H18 | 179.9° | 179.9° |
| C14 | C19 | C24 | N49 | 0.5° | 0.0° |
| H14 | C14 | C19 | C15 | 1.0° | 0.1° |
| H14 | C14 | C18 | N49 | 179.9° | 180.0° |
| H14 | C14 | C18 | H18 | 0.1° | 0.1° |
| H14 | C14 | C19 | C24 | 179.6° | 179.9° |
| C18 | C14 | C19 | C15 | 179.0° | 180.0° |
| C14 | C18 | N49 | H18 | 180.0° | 179.9° |
| C18 | C14 | C19 | C24 | 0.4° | 0.1° |
| C14 | C18 | N49 | C24 | 0.2° | 0.1° |
| C14 | C18 | N49 | HN49 | 179.9° | 179.9° |
| C28 | C15 | H15 | C19 | 180.0° | 179.7° |
| C28 | C15 | C19 | C24 | 0.8° | 0.3° |
| C15 | C28 | O62 | C30 | 10.4° | 77.6° |
| H15 | C15 | C19 | C24 | 179.2° | 180.0° |
| H15 | C15 | C28 | O62 | 0.6° | 0.1° |
| C15 | C19 | C24 | N49 | 179.3° | 180.0° |
| C19 | C15 | C28 | O62 | 179.4° | 179.7° |
| C25 | C16 | C30 | H16 | 180.0° | 179.9° |
| C25 | C16 | C30 | C22 | 0.6° | 0.0° |
| C25 | C16 | C30 | O62 | 178.7° | 180.0° |
| C16 | C25 | N50 | C36 | 170.9° | 56.3° |
| C16 | C25 | N50 | C37 | 52.1° | 179.9° |
| C16 | C30 | C22 | C33 | 176.3° | 180.0° |
| C16 | C30 | C22 | O62 | 179.3° | 180.0° |
| C30 | C16 | C25 | N50 | 179.1° | 180.0° |
| C16 | C30 | O62 | C28 | 91.0° | 5.6° |
| H16 | C16 | C30 | C22 | 179.4° | 180.0° |
| H16 | C16 | C25 | N50 | 0.9° | 0.1° |
| H16 | C16 | C30 | O62 | 1.3° | 0.0° |
| C31 | C17 | H17 | C27 | 180.0° | 179.7° |
| C31 | C17 | C27 | C26 | 1.2° | 0.3° |
| C31 | C17 | C27 | N55 | 179.8° | 179.9° |
| C17 | C31 | S64 | N53 | 73.2° | 90.0° |
| C17 | C31 | S64 | O59 | 42.4° | 23.5° |
| C17 | C31 | S64 | O60 | 173.2° | 156.5° |
| H17 | C17 | C27 | C26 | 178.8° | 180.0° |
| H17 | C17 | C27 | N55 | 0.2° | 0.4° |
| H17 | C17 | C31 | S64 | 1.2° | 0.0° |
| C17 | C27 | C26 | N55 | 178.9° | 179.6° |
| C17 | C27 | C26 | N52 | 178.0° | 180.0° |
| C27 | C17 | C31 | S64 | 178.8° | 179.7° |
| C17 | C27 | N55 | O56 | 6.3° | 141.8° |
| C17 | C27 | N55 | O58 | 173.6° | 38.3° |
| C18 | N49 | C24 | C19 | 0.4° | 0.1° |
| C18 | N49 | C24 | HN49 | 180.0° | 180.0° |
| H18 | C18 | N49 | C24 | 179.8° | 179.9° |
| H18 | C18 | N49 | HN49 | 0.1° | 0.0° |
| C19 | C24 | N49 | HN49 | 179.6° | 179.9° |
| C20 | C21 | C23 | C45 | 3.3° | 0.0° |
| C20 | C21 | C23 | C29 | 179.2° | 179.7° |
| C21 | C23 | C45 | C29 | 177.5° | 179.8° |
| C21 | C23 | C29 | O63 | 176.3° | 180.0° |
| C21 | C23 | C45 | N51 | 74.8° | 82.6° |
| C21 | C23 | C45 | H45 | 46.0° | 37.4° |
| C21 | C23 | C45 | H45A | 164.5° | 157.4° |
| C33 | C22 | C30 | O62 | 4.4° | 0.0° |
| C22 | C33 | N53 | O57 | 173.3° | 180.0° |
| C22 | C33 | N53 | S64 | 161.9° | 180.0° |
| C22 | C33 | N53 | HN53 | 18.1° | 0.0° |
| C22 | C30 | O62 | C28 | 89.7° | 174.4° |
| C30 | C22 | C33 | N53 | 21.5° | 180.0° |
| C30 | C22 | C33 | O57 | 151.5° | 0.0° |
| C45 | C23 | C29 | O63 | 6.2° | 0.2° |
| C23 | C45 | N51 | C38 | 44.6° | 67.4° |
| C23 | C45 | N51 | C39 | 172.6° | 168.9° |
| C23 | C45 | N51 | H45 | 120.7° | 120.0° |
| C23 | C45 | N51 | H45A | 120.7° | 120.0° |
| C23 | C45 | H45 | H45A | 117.8° | 120.0° |
| C29 | C23 | C45 | N51 | 102.7° | 97.7° |
| C29 | C23 | C45 | H45 | 136.6° | 142.3° |
| C29 | C23 | C45 | H45A | 18.0° | 22.3° |
| C23 | C29 | O63 | C48 | 128.9° | 180.0° |
| C25 | N50 | C36 | C37 | 137.1° | 123.9° |
| C25 | N50 | C36 | C38 | 167.9° | 176.8° |
| C25 | N50 | C36 | H36 | 72.0° | 56.9° |
| C25 | N50 | C36 | H36A | 47.9° | 63.2° |
| C25 | N50 | C37 | C39 | 169.6° | 176.8° |
| C25 | N50 | C37 | H37 | 70.1° | 63.2° |
| C25 | N50 | C37 | H37A | 49.3° | 56.9° |
| C27 | C26 | N52 | C46 | 167.3° | 173.8° |
| C27 | C26 | N52 | HN52 | 46.1° | 6.3° |
| C26 | C27 | N55 | O56 | 172.6° | 37.8° |
| C26 | C27 | N55 | O58 | 7.4° | 142.1° |
| N52 | C26 | C27 | N55 | 0.9° | 0.4° |
| C26 | N52 | C46 | C42 | 157.1° | 180.0° |
| C26 | N52 | C46 | HN52 | 121.1° | 179.9° |
| C26 | N52 | C46 | H46 | 81.9° | 60.0° |
| C26 | N52 | C46 | H46A | 36.1° | 60.0° |
| C27 | N55 | O56 | O58 | 180.0° | 179.9° |
| C29 | O63 | C48 | C47 | 179.9° | 180.0° |
| C29 | O63 | C48 | H48 | 59.3° | 60.0° |
| C29 | O63 | C48 | H48A | 59.5° | 60.0° |
| C31 | S64 | N53 | C33 | 79.9° | 65.0° |
| C31 | S64 | N53 | O59 | 114.4° | 113.5° |
| C31 | S64 | N53 | O60 | 114.6° | 113.5° |
| C31 | S64 | N53 | HN53 | 100.1° | 115.0° |
| C31 | S64 | O59 | O60 | 121.0° | 122.9° |
| C33 | N53 | S64 | HN53 | 180.0° | 180.0° |
| C33 | N53 | S64 | O59 | 34.5° | 48.6° |
| C33 | N53 | S64 | O60 | 165.6° | 178.5° |
| O57 | C33 | N53 | S64 | 11.4° | 0.0° |
| O57 | C33 | N53 | HN53 | 168.6° | 180.0° |
| C42 | C34 | C40 | H34 | 120.5° | 120.0° |
| C42 | C34 | C40 | H34A | 120.5° | 119.9° |
| C42 | C34 | H34 | H34A | 118.5° | 120.1° |
| C34 | C42 | C35 | C46 | 127.9° | 119.9° |
| C34 | C42 | C35 | H42 | 117.2° | 119.8° |
| C34 | C42 | C35 | C41 | 42.3° | 56.9° |
| C34 | C42 | C35 | H35 | 162.7° | 62.9° |
| C34 | C42 | C35 | H35A | 78.2° | 176.9° |
| C42 | C34 | C40 | O61 | 54.3° | 57.6° |
| C42 | C34 | C40 | H40 | 174.3° | 177.6° |
| C42 | C34 | C40 | H40A | 65.7° | 62.4° |
| C34 | C42 | C46 | H42 | 118.7° | 120.2° |
| C34 | C42 | C46 | N52 | 37.9° | 175.0° |
| C34 | C42 | C46 | H46 | 83.1° | 55.0° |
| C34 | C42 | C46 | H46A | 158.9° | 65.0° |
| C40 | C34 | H34 | H34A | 118.5° | 120.1° |
| C40 | C34 | C42 | C35 | 44.5° | 57.0° |
| C34 | C40 | O61 | H40 | 120.0° | 120.0° |
| C34 | C40 | O61 | H40A | 120.0° | 120.0° |
| C34 | C40 | H40 | H40A | 120.0° | 120.0° |
| C34 | C40 | O61 | C41 | 63.5° | 61.1° |
| C40 | C34 | C42 | C46 | 168.7° | 176.9° |
| C40 | C34 | C42 | H42 | 72.7° | 62.9° |
| H34 | C34 | C42 | C35 | 75.9° | 176.9° |
| H34 | C34 | C40 | O61 | 66.2° | 177.6° |
| H34 | C34 | C40 | H40 | 53.8° | 62.4° |
| H34 | C34 | C40 | H40A | 173.8° | 57.6° |
| H34 | C34 | C42 | C46 | 48.2° | 63.2° |
| H34 | C34 | C42 | H42 | 166.9° | 57.0° |
| H34A | C34 | C42 | C35 | 165.0° | 63.0° |
| H34A | C34 | C40 | O61 | 174.8° | 62.4° |
| H34A | C34 | C40 | H40 | 65.2° | 57.6° |
| H34A | C34 | C40 | H40A | 54.8° | 177.7° |
| H34A | C34 | C42 | C46 | 70.8° | 56.9° |
| H34A | C34 | C42 | H42 | 47.8° | 177.1° |
| C42 | C35 | C41 | H35 | 120.5° | 119.8° |
| C42 | C35 | C41 | H35A | 120.5° | 120.0° |
| C42 | C35 | H35 | H35A | 118.6° | 120.2° |
| C42 | C35 | C41 | O61 | 50.6° | 57.6° |
| C42 | C35 | C41 | H41 | 69.7° | 62.4° |
| C42 | C35 | C41 | H41A | 171.0° | 177.6° |
| C35 | C42 | C46 | H42 | 115.0° | 120.2° |
| C35 | C42 | C46 | N52 | 164.3° | 65.4° |
| C35 | C42 | C46 | H46 | 43.3° | 174.6° |
| C35 | C42 | C46 | H46A | 74.8° | 54.6° |
| C41 | C35 | H35 | H35A | 118.6° | 120.2° |
| C35 | C41 | O61 | C40 | 62.3° | 61.2° |
| C35 | C41 | O61 | H41 | 120.3° | 120.0° |
| C35 | C41 | O61 | H41A | 120.3° | 120.0° |
| C35 | C41 | H41 | H41A | 119.0° | 120.0° |
| C41 | C35 | C42 | C46 | 170.1° | 176.8° |
| C41 | C35 | C42 | H42 | 75.0° | 62.9° |
| H35 | C35 | C41 | O61 | 171.1° | 62.2° |
| H35 | C35 | C41 | H41 | 50.8° | 177.7° |
| H35 | C35 | C41 | H41A | 68.6° | 57.8° |
| H35 | C35 | C42 | C46 | 69.4° | 57.0° |
| H35 | C35 | C42 | H42 | 45.5° | 177.2° |
| H35A | C35 | C41 | O61 | 69.8° | 177.6° |
| H35A | C35 | C41 | H41 | 169.8° | 57.6° |
| H35A | C35 | C41 | H41A | 50.5° | 62.4° |
| H35A | C35 | C42 | C46 | 49.7° | 63.2° |
| H35A | C35 | C42 | H42 | 164.6° | 57.1° |
| N50 | C36 | C38 | H36 | 120.0° | 119.9° |
| N50 | C36 | C38 | H36A | 120.0° | 120.0° |
| N50 | C36 | H36 | H36A | 119.9° | 120.1° |
| C36 | N50 | C37 | C39 | 53.2° | 59.3° |
| C36 | N50 | C37 | H37 | 67.1° | 60.7° |
| C36 | N50 | C37 | H37A | 173.4° | 179.3° |
| N50 | C36 | C38 | N51 | 56.6° | 58.5° |
| N50 | C36 | C38 | H38 | 176.7° | 178.4° |
| N50 | C36 | C38 | H38A | 63.6° | 61.6° |
| C38 | C36 | H36 | H36A | 119.9° | 120.1° |
| C38 | C36 | N50 | C37 | 55.0° | 59.3° |
| C36 | C38 | N51 | H38 | 120.1° | 119.9° |
| C36 | C38 | N51 | H38A | 120.1° | 120.0° |
| C36 | C38 | H38 | H38A | 119.6° | 120.1° |
| C36 | C38 | N51 | C39 | 58.9° | 59.4° |
| C36 | C38 | N51 | C45 | 172.1° | 176.8° |
| H36 | C36 | N50 | C37 | 65.0° | 179.2° |
| H36 | C36 | C38 | N51 | 63.4° | 178.4° |
| H36 | C36 | C38 | H38 | 56.7° | 61.7° |
| H36 | C36 | C38 | H38A | 176.4° | 58.3° |
| H36A | C36 | N50 | C37 | 175.0° | 60.7° |
| H36A | C36 | C38 | N51 | 176.6° | 61.5° |
| H36A | C36 | C38 | H38 | 63.3° | 58.4° |
| H36A | C36 | C38 | H38A | 56.5° | 178.4° |
| C39 | C37 | N50 | H37 | 120.2° | 120.0° |
| C39 | C37 | N50 | H37A | 120.3° | 120.0° |
| C39 | C37 | H37 | H37A | 119.2° | 120.0° |
| C37 | C39 | N51 | C38 | 56.3° | 59.4° |
| C37 | C39 | N51 | H39 | 120.2° | 119.9° |
| C37 | C39 | N51 | H39A | 120.1° | 119.9° |
| C37 | C39 | H39 | H39A | 119.6° | 120.0° |
| C37 | C39 | N51 | C45 | 174.1° | 176.8° |
| N50 | C37 | H37 | H37A | 119.2° | 120.0° |
| N50 | C37 | C39 | N51 | 52.3° | 58.4° |
| N50 | C37 | C39 | H39 | 67.8° | 61.6° |
| N50 | C37 | C39 | H39A | 172.5° | 178.4° |
| H37 | C37 | C39 | N51 | 67.9° | 61.6° |
| H37 | C37 | C39 | H39 | 171.9° | 178.4° |
| H37 | C37 | C39 | H39A | 52.2° | 58.4° |
| H37A | C37 | C39 | N51 | 172.6° | 178.4° |
| H37A | C37 | C39 | H39 | 52.5° | 58.4° |
| H37A | C37 | C39 | H39A | 67.2° | 61.7° |
| N51 | C38 | H38 | H38A | 119.6° | 120.1° |
| C38 | N51 | C39 | C45 | 129.6° | 123.8° |
| C38 | N51 | C39 | H39 | 63.9° | 60.6° |
| C38 | N51 | C39 | H39A | 176.4° | 179.3° |
| C38 | N51 | C45 | H45 | 165.3° | 172.6° |
| C38 | N51 | C45 | H45A | 76.1° | 52.6° |
| H38 | C38 | N51 | C39 | 179.0° | 179.3° |
| H38 | C38 | N51 | C45 | 52.0° | 56.9° |
| H38A | C38 | N51 | C39 | 61.3° | 60.6° |
| H38A | C38 | N51 | C45 | 67.8° | 63.2° |
| N51 | C39 | H39 | H39A | 119.6° | 120.1° |
| C39 | N51 | C45 | H45 | 66.7° | 48.8° |
| C39 | N51 | C45 | H45A | 51.9° | 71.1° |
| H39 | C39 | N51 | C45 | 65.7° | 63.2° |
| H39A | C39 | N51 | C45 | 54.0° | 56.9° |
| O61 | C40 | H40 | H40A | 120.0° | 120.0° |
| C40 | O61 | C41 | H41 | 58.0° | 58.8° |
| C40 | O61 | C41 | H41A | 177.4° | 178.9° |
| H40 | C40 | O61 | C41 | 176.4° | 178.9° |
| H40A | C40 | O61 | C41 | 56.5° | 58.8° |
| O61 | C41 | H41 | H41A | 119.0° | 120.0° |
| C42 | C46 | N52 | H46 | 121.0° | 120.0° |
| C42 | C46 | N52 | H46A | 121.0° | 120.0° |
| C42 | C46 | H46 | H46A | 116.9° | 120.0° |
| C42 | C46 | N52 | HN52 | 81.8° | 0.0° |
| H42 | C42 | C46 | N52 | 80.8° | 54.8° |
| H42 | C42 | C46 | H46 | 158.2° | 65.2° |
| H42 | C42 | C46 | H46A | 40.2° | 174.8° |
| N54 | C43 | H43 | H43A | 120.0° | 120.0° |
| N54 | C43 | H43 | H43B | 120.0° | 119.9° |
| N54 | C43 | H43A | H43B | 120.0° | 120.0° |
| C43 | N54 | C44 | C47 | 143.4° | 124.0° |
| C43 | N54 | C44 | H44 | 180.0° | 171.3° |
| C43 | N54 | C44 | H44A | 60.0° | 51.3° |
| C43 | N54 | C44 | H44B | 60.0° | 68.6° |
| C43 | N54 | C47 | C48 | 172.7° | 72.1° |
| C43 | N54 | C47 | H47 | 51.5° | 47.9° |
| C43 | N54 | C47 | H47A | 66.0° | 167.9° |
| H43 | C43 | H43A | H43B | 120.1° | 120.0° |
| H43 | C43 | N54 | C44 | 180.0° | 56.0° |
| H43 | C43 | N54 | C47 | 37.6° | 180.0° |
| H43A | C43 | N54 | C44 | 60.0° | 176.1° |
| H43A | C43 | N54 | C47 | 82.4° | 60.0° |
| H43B | C43 | N54 | C44 | 60.0° | 63.9° |
| H43B | C43 | N54 | C47 | 157.7° | 60.0° |
| N54 | C44 | H44 | H44A | 120.0° | 120.0° |
| N54 | C44 | H44 | H44B | 120.0° | 120.0° |
| N54 | C44 | H44A | H44B | 120.0° | 120.0° |
| C44 | N54 | C47 | C48 | 44.2° | 163.9° |
| C44 | N54 | C47 | H47 | 165.4° | 76.1° |
| C44 | N54 | C47 | H47A | 77.1° | 43.9° |
| H44 | C44 | H44A | H44B | 119.9° | 120.0° |
| H44 | C44 | N54 | C47 | 36.6° | 64.7° |
| H44A | C44 | N54 | C47 | 156.7° | 175.3° |
| H44B | C44 | N54 | C47 | 83.3° | 55.3° |
| N51 | C45 | H45 | H45A | 117.8° | 120.0° |
| N52 | C46 | H46 | H46A | 116.9° | 120.0° |
| H46 | C46 | N52 | HN52 | 39.2° | 120.0° |
| H46A | C46 | N52 | HN52 | 157.2° | 120.0° |
| C48 | C47 | N54 | H47 | 121.3° | 119.9° |
| C48 | C47 | N54 | H47A | 121.3° | 120.1° |
| C48 | C47 | H47 | H47A | 115.9° | 120.0° |
| C47 | C48 | O63 | H48 | 120.6° | 120.0° |
| C47 | C48 | O63 | H48A | 120.6° | 120.0° |
| C47 | C48 | H48 | H48A | 118.3° | 120.1° |
| N54 | C47 | H47 | H47A | 116.0° | 120.0° |
| N54 | C47 | C48 | O63 | 28.3° | 64.0° |
| N54 | C47 | C48 | H48 | 148.9° | 176.0° |
| N54 | C47 | C48 | H48A | 92.3° | 55.9° |
| H47 | C47 | C48 | O63 | 149.6° | 176.1° |
| H47 | C47 | C48 | H48 | 89.9° | 56.1° |
| H47 | C47 | C48 | H48A | 29.0° | 64.0° |
| H47A | C47 | C48 | O63 | 93.0° | 56.0° |
| H47A | C47 | C48 | H48 | 27.6° | 63.9° |
| H47A | C47 | C48 | H48A | 146.4° | 176.0° |
| O63 | C48 | H48 | H48A | 118.3° | 120.0° |
| N53 | S64 | O59 | O60 | 120.7° | 123.0° |
| HN53 | N53 | S64 | O59 | 145.5° | 131.5° |
| HN53 | N53 | S64 | O60 | 14.4° | 1.5° |
