WME
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C15 | doub | 1.36Å | 1.33Å | Aromatic |
| N3 | C13 | sing | 1.32Å | 1.33Å | Aromatic |
| C15 | N4 | sing | 1.30Å | 1.33Å | Aromatic |
| S1 | C13 | sing | 1.70Å | 1.74Å | Aromatic |
| S1 | C16 | sing | 1.75Å | 1.74Å | Aromatic |
| O4 | C26 | doub | 1.21Å | 1.33Å | |
| C13 | C12 | doub | 1.44Å | 1.40Å | Aromatic |
| O3 | C26 | sing | 1.34Å | 1.23Å | |
| N4 | C14 | doub | 1.28Å | 1.32Å | Aromatic |
| C26 | C25 | sing | 1.46Å | 1.52Å | |
| C16 | C18 | sing | 1.50Å | 1.47Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.42Å | 1.42Å | Aromatic |
| C12 | C17 | sing | 1.48Å | 1.47Å | Aromatic |
| F1 | C21 | sing | 1.35Å | 1.36Å | |
| C21 | C22 | doub | 1.39Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | O2 | sing | 1.44Å | 1.35Å | |
| C49 | C32 | sing | 1.60Å | 1.51Å | |
| C17 | C24 | sing | 1.48Å | 1.49Å | |
| C25 | O2 | sing | 1.35Å | 1.44Å | |
| C25 | C39 | sing | 1.47Å | 1.53Å | |
| C32 | C24 | doub | 1.42Å | 1.41Å | Aromatic |
| C32 | C31 | sing | 1.34Å | 1.39Å | Aromatic |
| C24 | C28 | sing | 1.35Å | 1.41Å | Aromatic |
| C10 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C39 | C27 | sing | 1.51Å | 1.51Å | |
| CL2 | C31 | sing | 1.69Å | 1.72Å | |
| C31 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| N2 | C7 | sing | 1.33Å | 1.34Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C33 | sing | 1.44Å | 1.51Å | |
| C28 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C27 | C34 | doub | 1.43Å | 1.39Å | Aromatic |
| C27 | C38 | sing | 1.44Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.42Å | 1.38Å | Aromatic |
| C30 | O5 | sing | 1.29Å | 1.38Å | |
| C29 | CL1 | sing | 1.71Å | 1.73Å | |
| C7 | C6 | sing | 1.48Å | 1.48Å | |
| C7 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C8 | C11 | sing | 1.51Å | 1.51Å | |
| O1 | C38 | sing | 1.40Å | 1.37Å | |
| O1 | C11 | sing | 1.43Å | 1.44Å | |
| C34 | C35 | sing | 1.45Å | 1.39Å | Aromatic |
| C38 | C37 | doub | 1.32Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| O5 | C40 | sing | 1.44Å | 1.47Å | |
| C35 | C36 | doub | 1.35Å | 1.38Å | Aromatic |
| C35 | O6 | sing | 1.34Å | 1.37Å | |
| C37 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C41 | C40 | sing | 1.58Å | 1.50Å | |
| C41 | O6 | sing | 1.46Å | 1.43Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | O7 | sing | 1.36Å | 1.38Å | |
| C40 | C42 | sing | 1.55Å | 1.52Å | |
| O7 | C48 | sing | 1.43Å | 1.44Å | |
| N5 | C42 | sing | 1.47Å | 1.47Å | |
| N5 | C46 | sing | 1.47Å | 1.47Å | |
| N5 | C43 | sing | 1.47Å | 1.47Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C45 | N6 | sing | 1.47Å | 1.46Å | |
| C51 | O8 | sing | 1.43Å | 1.44Å | |
| C51 | C52 | sing | 1.53Å | 1.57Å | |
| O8 | C50 | sing | 1.43Å | 1.43Å | |
| C47 | N6 | sing | 1.47Å | 1.47Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C44 | N6 | sing | 1.47Å | 1.47Å | |
| C52 | O9 | sing | 1.43Å | 1.44Å | |
| C48 | C50 | sing | 1.53Å | 1.51Å | |
| C50 | C53 | sing | 1.53Å | 1.51Å | |
| C53 | O9 | sing | 1.43Å | 1.45Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.12Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.10Å | 1.10Å | |
| O3 | H15 | sing | 0.97Å | 0.95Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H18 | sing | 1.09Å | 1.10Å | |
| C34 | H19 | sing | 1.01Å | 1.08Å | |
| C36 | H20 | sing | 1.08Å | 1.08Å | |
| C37 | H21 | sing | 1.11Å | 1.08Å | |
| C39 | H22 | sing | 1.10Å | 1.10Å | |
| C39 | H23 | sing | 1.07Å | 1.10Å | |
| C40 | H24 | sing | 1.10Å | 1.10Å | |
| C41 | H25 | sing | 1.11Å | 1.10Å | |
| C41 | H26 | sing | 1.06Å | 1.10Å | |
| C42 | H27 | sing | 1.09Å | 1.10Å | |
| C42 | H28 | sing | 1.09Å | 1.10Å | |
| C43 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C44 | H32 | sing | 1.09Å | 1.10Å | |
| C44 | H33 | sing | 1.09Å | 1.10Å | |
| C45 | H35 | sing | 1.09Å | 1.10Å | |
| C45 | H36 | sing | 1.09Å | 1.10Å | |
| C46 | H37 | sing | 1.09Å | 1.10Å | |
| C46 | H38 | sing | 1.09Å | 1.10Å | |
| C47 | H39 | sing | 1.09Å | 1.10Å | |
| C47 | H40 | sing | 1.09Å | 1.10Å | |
| C47 | H41 | sing | 1.09Å | 1.10Å | |
| C48 | H42 | sing | 1.09Å | 1.10Å | |
| C48 | H43 | sing | 1.09Å | 1.10Å | |
| C49 | H44 | sing | 1.09Å | 1.10Å | |
| C49 | H45 | sing | 1.09Å | 1.10Å | |
| C49 | H46 | sing | 1.09Å | 1.10Å | |
| C50 | H47 | sing | 1.09Å | 1.10Å | |
| C51 | H48 | sing | 1.09Å | 1.10Å | |
| C51 | H49 | sing | 1.09Å | 1.10Å | |
| C52 | H50 | sing | 1.09Å | 1.10Å | |
| C52 | H51 | sing | 1.09Å | 1.10Å | |
| C53 | H52 | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N3 | C13 | 113.6° | 118.8° |
| N3 | C15 | N4 | 128.3° | 125.7° |
| N3 | C15 | H4 | 115.8° | 117.6° |
| N3 | C13 | S1 | 121.6° | 131.3° |
| N3 | C13 | C12 | 126.2° | 117.7° |
| C15 | N4 | C14 | 115.7° | 119.3° |
| N4 | C15 | H4 | 115.9° | 116.5° |
| C13 | S1 | C16 | 91.2° | 92.9° |
| S1 | C13 | C12 | 112.1° | 110.8° |
| S1 | C16 | C18 | 116.5° | 127.3° |
| S1 | C16 | C17 | 113.0° | 113.3° |
| O4 | C26 | O3 | 123.1° | 120.0° |
| O4 | C26 | C25 | 116.9° | 120.0° |
| C13 | C12 | C14 | 112.1° | 118.2° |
| C13 | C12 | C17 | 111.7° | 112.5° |
| O3 | C26 | C25 | 120.0° | 120.0° |
| C26 | O3 | H15 | 109.5° | 117.0° |
| N4 | C14 | C12 | 124.0° | 120.3° |
| N4 | C14 | O2 | 119.4° | 118.6° |
| C26 | C25 | O2 | 112.9° | 110.4° |
| C26 | C25 | C39 | 111.8° | 113.4° |
| C26 | C25 | H14 | 107.5° | 105.8° |
| C18 | C16 | C17 | 130.3° | 119.4° |
| C16 | C18 | C19 | 120.8° | 120.1° |
| C16 | C18 | C23 | 120.5° | 120.1° |
| C16 | C17 | C12 | 111.1° | 110.2° |
| C16 | C17 | C24 | 122.7° | 122.7° |
| C20 | C19 | C18 | 120.8° | 119.9° |
| C19 | C20 | C21 | 118.3° | 120.1° |
| C19 | C20 | H5 | 120.9° | 119.9° |
| C20 | C19 | H12 | 119.6° | 120.0° |
| C19 | C18 | C23 | 118.7° | 119.7° |
| C18 | C19 | H12 | 119.6° | 120.1° |
| C20 | C21 | F1 | 118.6° | 119.9° |
| C20 | C21 | C22 | 123.0° | 120.2° |
| C21 | C20 | H5 | 120.9° | 119.9° |
| C18 | C23 | C22 | 120.9° | 119.8° |
| C18 | C23 | H13 | 119.5° | 120.0° |
| C14 | C12 | C17 | 136.2° | 129.3° |
| C12 | C14 | O2 | 116.5° | 121.1° |
| C12 | C17 | C24 | 126.2° | 127.1° |
| F1 | C21 | C22 | 118.4° | 119.8° |
| C21 | C22 | C23 | 118.3° | 120.2° |
| C21 | C22 | H6 | 120.8° | 119.9° |
| C23 | C22 | H6 | 120.9° | 119.9° |
| C22 | C23 | H13 | 119.6° | 120.1° |
| C14 | O2 | C25 | 120.6° | 117.8° |
| C49 | C32 | C24 | 121.6° | 117.6° |
| C49 | C32 | C31 | 121.5° | 119.6° |
| C32 | C49 | H44 | 109.5° | 109.4° |
| C32 | C49 | H45 | 109.5° | 109.5° |
| C32 | C49 | H46 | 109.5° | 109.4° |
| C17 | C24 | C32 | 120.4° | 119.1° |
| C17 | C24 | C28 | 114.6° | 121.7° |
| O2 | C25 | C39 | 108.4° | 111.2° |
| O2 | C25 | H14 | 108.6° | 110.3° |
| C25 | C39 | C27 | 115.4° | 110.8° |
| C39 | C25 | H14 | 107.5° | 105.6° |
| C25 | C39 | H22 | 108.0° | 111.2° |
| C25 | C39 | H23 | 107.9° | 111.9° |
| C24 | C32 | C31 | 116.8° | 122.8° |
| C32 | C24 | C28 | 122.2° | 119.2° |
| C32 | C31 | CL2 | 118.9° | 119.4° |
| C32 | C31 | C30 | 122.6° | 119.9° |
| C24 | C28 | C33 | 121.1° | 123.2° |
| C24 | C28 | C29 | 117.1° | 118.4° |
| N2 | C10 | C9 | 123.5° | 119.2° |
| C10 | N2 | C7 | 115.7° | 120.7° |
| N2 | C10 | H3 | 118.2° | 120.4° |
| C10 | C9 | C8 | 116.4° | 118.5° |
| C9 | C10 | H3 | 118.3° | 120.4° |
| C10 | C9 | H9 | 121.8° | 120.7° |
| C39 | C27 | C34 | 120.3° | 119.4° |
| C39 | C27 | C38 | 121.3° | 124.4° |
| C27 | C39 | H22 | 108.0° | 106.8° |
| C27 | C39 | H23 | 108.0° | 105.7° |
| CL2 | C31 | C30 | 118.5° | 120.6° |
| C31 | C30 | C29 | 119.1° | 117.6° |
| C31 | C30 | O5 | 120.1° | 121.3° |
| N2 | C7 | C6 | 117.4° | 119.3° |
| N2 | C7 | N1 | 125.9° | 121.5° |
| C9 | C8 | N1 | 122.0° | 119.2° |
| C9 | C8 | C11 | 122.2° | 120.4° |
| C8 | C9 | H9 | 121.8° | 120.7° |
| C33 | C28 | C29 | 121.7° | 118.3° |
| C28 | C33 | H16 | 109.5° | 109.4° |
| C28 | C33 | H17 | 109.5° | 109.4° |
| C28 | C33 | H18 | 109.5° | 109.4° |
| C28 | C29 | C30 | 122.1° | 122.1° |
| C28 | C29 | CL1 | 118.8° | 120.1° |
| C34 | C27 | C38 | 118.3° | 116.2° |
| C27 | C34 | C35 | 120.7° | 117.5° |
| C27 | C34 | H19 | 119.7° | 120.6° |
| C27 | C38 | O1 | 115.6° | 114.3° |
| C27 | C38 | C37 | 120.7° | 124.7° |
| C29 | C30 | O5 | 120.8° | 121.0° |
| C30 | C29 | CL1 | 118.9° | 117.7° |
| C30 | O5 | C40 | 121.3° | 120.8° |
| C6 | C7 | N1 | 116.8° | 119.2° |
| C7 | C6 | C5 | 121.2° | 120.1° |
| C7 | C6 | C1 | 120.7° | 120.1° |
| C7 | N1 | C8 | 116.5° | 120.7° |
| C4 | C5 | C6 | 121.2° | 120.0° |
| C5 | C4 | C3 | 119.9° | 120.1° |
| C5 | C4 | H1 | 120.1° | 120.0° |
| C4 | C5 | H2 | 119.4° | 120.0° |
| C5 | C6 | C1 | 118.1° | 119.9° |
| C6 | C5 | H2 | 119.4° | 120.0° |
| N1 | C8 | C11 | 115.8° | 120.4° |
| C8 | C11 | O1 | 108.7° | 109.5° |
| C8 | C11 | H10 | 109.7° | 109.5° |
| C8 | C11 | H11 | 109.6° | 109.5° |
| C38 | O1 | C11 | 119.6° | 117.0° |
| O1 | C38 | C37 | 123.5° | 120.8° |
| O1 | C11 | H10 | 109.6° | 109.4° |
| O1 | C11 | H11 | 109.7° | 109.5° |
| C34 | C35 | C36 | 120.2° | 120.5° |
| C34 | C35 | O6 | 127.8° | 116.6° |
| C35 | C34 | H19 | 119.6° | 121.8° |
| C38 | C37 | C36 | 119.9° | 118.6° |
| C38 | C37 | H21 | 120.0° | 123.4° |
| C4 | C3 | C2 | 119.7° | 120.1° |
| C4 | C3 | O7 | 116.6° | 119.9° |
| C3 | C4 | H1 | 120.0° | 119.9° |
| C6 | C1 | C2 | 121.3° | 119.9° |
| C6 | C1 | H7 | 119.3° | 120.1° |
| O5 | C40 | C41 | 109.6° | 108.4° |
| O5 | C40 | C42 | 113.9° | 113.5° |
| O5 | C40 | H24 | 107.3° | 107.0° |
| C36 | C35 | O6 | 110.8° | 122.8° |
| C35 | C36 | C37 | 119.9° | 122.3° |
| C35 | C36 | H20 | 120.0° | 118.2° |
| C35 | O6 | C41 | 118.6° | 118.4° |
| C37 | C36 | H20 | 120.0° | 119.3° |
| C36 | C37 | H21 | 120.0° | 117.9° |
| C1 | C2 | C3 | 119.8° | 120.1° |
| C2 | C1 | H7 | 119.4° | 120.1° |
| C1 | C2 | H8 | 120.1° | 119.9° |
| C40 | C41 | O6 | 108.5° | 109.2° |
| C41 | C40 | C42 | 111.9° | 109.8° |
| C41 | C40 | H24 | 106.9° | 105.8° |
| C40 | C41 | H25 | 109.7° | 107.7° |
| C40 | C41 | H26 | 109.7° | 109.6° |
| O6 | C41 | H25 | 109.7° | 107.7° |
| O6 | C41 | H26 | 109.7° | 110.1° |
| C2 | C3 | O7 | 123.4° | 120.0° |
| C3 | C2 | H8 | 120.1° | 119.9° |
| C3 | O7 | C48 | 119.6° | 117.0° |
| C40 | C42 | N5 | 120.5° | 109.5° |
| C42 | C40 | H24 | 106.7° | 111.9° |
| C40 | C42 | H27 | 106.6° | 109.5° |
| C40 | C42 | H28 | 106.6° | 109.5° |
| O7 | C48 | C50 | 108.3° | 109.5° |
| O7 | C48 | H42 | 109.7° | 109.5° |
| O7 | C48 | H43 | 109.8° | 109.5° |
| C42 | N5 | C46 | 111.8° | 111.0° |
| C42 | N5 | C43 | 112.5° | 111.0° |
| N5 | C42 | H27 | 106.7° | 109.5° |
| N5 | C42 | H28 | 106.7° | 109.4° |
| C46 | N5 | C43 | 109.0° | 110.9° |
| N5 | C46 | C45 | 109.9° | 109.4° |
| N5 | C46 | H37 | 109.4° | 109.5° |
| N5 | C46 | H38 | 109.4° | 109.4° |
| N5 | C43 | C44 | 110.5° | 109.3° |
| N5 | C43 | H30 | 109.2° | 109.5° |
| N5 | C43 | H31 | 109.2° | 109.5° |
| C46 | C45 | N6 | 110.9° | 109.4° |
| C46 | C45 | H35 | 109.1° | 109.6° |
| C46 | C45 | H36 | 109.1° | 109.4° |
| C45 | C46 | H37 | 109.4° | 109.5° |
| C45 | C46 | H38 | 109.3° | 109.5° |
| C45 | N6 | C47 | 110.5° | 111.0° |
| C45 | N6 | C44 | 110.0° | 110.9° |
| N6 | C45 | H35 | 109.1° | 109.5° |
| N6 | C45 | H36 | 109.1° | 109.5° |
| O8 | C51 | C52 | 110.2° | 109.2° |
| C51 | O8 | C50 | 120.8° | 113.6° |
| O8 | C51 | H48 | 109.3° | 109.5° |
| O8 | C51 | H49 | 109.3° | 109.5° |
| C51 | C52 | O9 | 112.3° | 109.2° |
| C52 | C51 | H48 | 109.3° | 109.5° |
| C52 | C51 | H49 | 109.3° | 109.6° |
| C51 | C52 | H50 | 108.7° | 109.6° |
| C51 | C52 | H51 | 108.7° | 109.6° |
| O8 | C50 | C48 | 107.6° | 109.5° |
| O8 | C50 | C53 | 109.5° | 109.2° |
| O8 | C50 | H47 | 109.4° | 109.6° |
| C47 | N6 | C44 | 110.6° | 111.0° |
| N6 | C47 | H39 | 109.5° | 109.5° |
| N6 | C47 | H40 | 109.5° | 109.5° |
| N6 | C47 | H41 | 109.5° | 109.5° |
| C43 | C44 | N6 | 111.2° | 109.4° |
| C44 | C43 | H30 | 109.2° | 109.5° |
| C44 | C43 | H31 | 109.2° | 109.5° |
| C43 | C44 | H32 | 109.0° | 109.5° |
| C43 | C44 | H33 | 109.1° | 109.5° |
| N6 | C44 | H32 | 109.1° | 109.5° |
| N6 | C44 | H33 | 109.0° | 109.5° |
| C52 | O9 | C53 | 111.5° | 113.6° |
| O9 | C52 | H50 | 108.8° | 109.5° |
| O9 | C52 | H51 | 108.8° | 109.5° |
| C48 | C50 | C53 | 113.7° | 109.5° |
| C50 | C48 | H42 | 109.8° | 109.4° |
| C50 | C48 | H43 | 109.8° | 109.5° |
| C48 | C50 | H47 | 108.3° | 109.5° |
| C50 | C53 | O9 | 111.2° | 109.1° |
| C53 | C50 | H47 | 108.3° | 109.5° |
| C50 | C53 | H52 | 109.0° | 109.5° |
| C50 | C53 | H53 | 109.1° | 109.5° |
| O9 | C53 | H52 | 109.0° | 109.6° |
| O9 | C53 | H53 | 109.0° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H16 | C33 | H17 | 109.4° | 109.5° |
| H16 | C33 | H18 | 109.5° | 109.5° |
| H17 | C33 | H18 | 109.5° | 109.5° |
| H22 | C39 | H23 | 109.5° | 110.3° |
| H25 | C41 | H26 | 109.5° | 112.4° |
| H27 | C42 | H28 | 109.5° | 109.4° |
| H30 | C43 | H31 | 109.5° | 109.6° |
| H32 | C44 | H33 | 109.5° | 109.5° |
| H35 | C45 | H36 | 109.4° | 109.5° |
| H37 | C46 | H38 | 109.5° | 109.5° |
| H39 | C47 | H40 | 109.4° | 109.5° |
| H39 | C47 | H41 | 109.5° | 109.5° |
| H40 | C47 | H41 | 109.5° | 109.5° |
| H42 | C48 | H43 | 109.5° | 109.4° |
| H44 | C49 | H45 | 109.5° | 109.5° |
| H44 | C49 | H46 | 109.4° | 109.5° |
| H45 | C49 | H46 | 109.5° | 109.5° |
| H48 | C51 | H49 | 109.5° | 109.5° |
| H50 | C52 | H51 | 109.5° | 109.6° |
| H52 | C53 | H53 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C15 | N4 | H4 | 180.0° | 174.0° |
| C15 | N3 | C13 | S1 | 174.3° | 175.2° |
| C15 | N3 | C13 | C12 | 1.5° | 0.3° |
| N3 | C15 | N4 | C14 | 1.0° | 4.3° |
| C13 | N3 | C15 | N4 | 1.2° | 3.0° |
| N3 | C13 | S1 | C12 | 176.3° | 175.1° |
| N3 | C13 | S1 | C16 | 176.2° | 179.1° |
| N3 | C13 | C12 | C14 | 0.1° | 2.0° |
| N3 | C13 | C12 | C17 | 179.7° | 179.1° |
| C13 | N3 | C15 | H4 | 178.9° | 177.0° |
| C15 | N4 | C14 | C12 | 2.9° | 2.2° |
| C15 | N4 | C14 | O2 | 173.5° | 176.7° |
| C13 | S1 | C16 | C18 | 176.1° | 176.6° |
| C13 | S1 | C16 | C17 | 9.0° | 5.4° |
| S1 | C13 | C12 | C14 | 176.3° | 177.9° |
| S1 | C13 | C12 | C17 | 4.2° | 5.1° |
| C16 | S1 | C13 | C12 | 7.4° | 5.8° |
| S1 | C16 | C18 | C17 | 173.9° | 177.9° |
| S1 | C16 | C18 | C19 | 130.9° | 127.6° |
| S1 | C16 | C18 | C23 | 46.5° | 51.6° |
| S1 | C16 | C17 | C12 | 8.1° | 3.2° |
| S1 | C16 | C17 | C24 | 170.9° | 179.5° |
| O4 | C26 | O3 | C25 | 178.1° | 180.0° |
| O4 | C26 | C25 | O2 | 4.5° | 5.1° |
| O4 | C26 | C25 | C39 | 127.0° | 120.4° |
| O4 | C26 | C25 | H14 | 115.3° | 124.4° |
| O4 | C26 | O3 | H15 | 0.0° | 0.0° |
| C13 | C12 | C14 | N4 | 2.5° | 0.8° |
| C13 | C12 | C17 | C16 | 2.5° | 1.2° |
| C13 | C12 | C14 | C17 | 179.4° | 176.4° |
| C13 | C12 | C14 | O2 | 174.0° | 179.7° |
| C13 | C12 | C17 | C24 | 176.5° | 176.0° |
| O3 | C26 | C25 | O2 | 177.3° | 175.0° |
| O3 | C26 | C25 | C39 | 54.8° | 59.6° |
| O3 | C26 | C25 | H14 | 62.9° | 55.7° |
| N4 | C14 | C12 | O2 | 176.5° | 178.9° |
| N4 | C14 | C12 | C17 | 178.1° | 177.3° |
| N4 | C14 | O2 | C25 | 25.0° | 7.3° |
| C14 | N4 | C15 | H4 | 179.0° | 178.3° |
| C26 | C25 | O2 | C14 | 59.9° | 122.1° |
| C26 | C25 | O2 | C39 | 124.3° | 126.7° |
| C26 | C25 | O2 | H14 | 119.2° | 116.6° |
| C26 | C25 | C39 | H14 | 117.7° | 115.4° |
| C26 | C25 | C39 | C27 | 161.4° | 17.5° |
| C25 | C26 | O3 | H15 | 178.1° | 180.0° |
| C26 | C25 | C39 | H22 | 77.7° | 136.1° |
| C26 | C25 | C39 | H23 | 40.6° | 100.1° |
| C16 | C18 | C19 | C20 | 175.8° | 179.8° |
| C16 | C18 | C19 | C23 | 177.4° | 179.2° |
| C18 | C16 | C17 | C12 | 177.9° | 178.6° |
| C16 | C18 | C23 | C22 | 175.6° | 180.0° |
| C18 | C16 | C17 | C24 | 3.2° | 1.3° |
| C16 | C18 | C19 | H12 | 4.2° | 0.2° |
| C16 | C18 | C23 | H13 | 4.4° | 0.8° |
| C17 | C16 | C18 | C19 | 55.2° | 54.5° |
| C17 | C16 | C18 | C23 | 127.4° | 126.3° |
| C16 | C17 | C12 | C14 | 176.9° | 177.8° |
| C16 | C17 | C12 | C24 | 179.0° | 177.1° |
| C16 | C17 | C24 | C32 | 97.1° | 94.7° |
| C16 | C17 | C24 | C28 | 64.6° | 83.1° |
| C20 | C19 | C18 | H12 | 180.0° | 180.0° |
| C19 | C20 | C21 | H5 | 180.0° | 179.8° |
| C20 | C19 | C18 | C23 | 1.6° | 0.5° |
| C19 | C20 | C21 | F1 | 174.7° | 179.8° |
| C19 | C20 | C21 | C22 | 1.7° | 0.3° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C19 | C18 | C23 | C22 | 1.8° | 0.8° |
| C18 | C19 | C20 | H5 | 179.9° | 179.8° |
| C19 | C18 | C23 | H13 | 178.2° | 180.0° |
| C20 | C21 | F1 | C22 | 176.6° | 180.0° |
| C20 | C21 | C22 | C23 | 1.6° | 0.0° |
| C20 | C21 | C22 | H6 | 178.5° | 180.0° |
| C21 | C20 | C19 | H12 | 179.9° | 180.0° |
| C18 | C23 | C22 | C21 | 0.3° | 0.5° |
| C18 | C23 | C22 | H13 | 180.0° | 179.2° |
| C18 | C23 | C22 | H6 | 179.7° | 179.5° |
| C23 | C18 | C19 | H12 | 178.4° | 179.5° |
| C14 | C12 | C17 | C24 | 4.1° | 0.7° |
| C12 | C14 | O2 | C25 | 151.8° | 171.6° |
| C17 | C12 | C14 | O2 | 5.4° | 3.9° |
| C12 | C17 | C24 | C32 | 84.1° | 82.1° |
| C12 | C17 | C24 | C28 | 114.2° | 100.1° |
| F1 | C21 | C22 | C23 | 174.9° | 180.0° |
| F1 | C21 | C20 | H5 | 5.4° | 0.1° |
| F1 | C21 | C22 | H6 | 5.1° | 0.0° |
| C21 | C22 | C23 | H6 | 180.0° | 180.0° |
| C22 | C21 | C20 | H5 | 178.2° | 179.9° |
| C21 | C22 | C23 | H13 | 179.7° | 179.7° |
| C14 | O2 | C25 | C39 | 175.8° | 111.2° |
| C14 | O2 | C25 | H14 | 59.3° | 5.5° |
| C49 | C32 | C24 | C17 | 21.8° | 0.8° |
| C49 | C32 | C24 | C31 | 177.6° | 176.6° |
| C49 | C32 | C24 | C28 | 177.9° | 178.6° |
| C49 | C32 | C31 | CL2 | 1.2° | 3.3° |
| C49 | C32 | C31 | C30 | 177.8° | 179.2° |
| C32 | C49 | H44 | H45 | 120.0° | 120.0° |
| C32 | C49 | H44 | H46 | 120.0° | 120.0° |
| C32 | C49 | H45 | H46 | 120.0° | 120.0° |
| C17 | C24 | C32 | C28 | 160.3° | 177.9° |
| C17 | C24 | C32 | C31 | 160.6° | 175.8° |
| C17 | C24 | C28 | C33 | 24.5° | 5.9° |
| C17 | C24 | C28 | C29 | 159.8° | 177.7° |
| O2 | C25 | C39 | H14 | 117.2° | 119.6° |
| O2 | C25 | C39 | C27 | 36.4° | 107.5° |
| O2 | C25 | C39 | H22 | 157.3° | 11.1° |
| O2 | C25 | C39 | H23 | 84.5° | 134.9° |
| C25 | C39 | C27 | H22 | 120.9° | 121.2° |
| C25 | C39 | C27 | H23 | 120.9° | 121.3° |
| C25 | C39 | C27 | C34 | 103.7° | 74.6° |
| C25 | C39 | C27 | C38 | 78.0° | 104.5° |
| C25 | C39 | H22 | H23 | 117.3° | 124.7° |
| C24 | C32 | C31 | CL2 | 178.8° | 179.9° |
| C24 | C32 | C31 | C30 | 0.2° | 4.2° |
| C32 | C24 | C28 | C33 | 174.1° | 176.4° |
| C32 | C24 | C28 | C29 | 1.6° | 0.1° |
| C24 | C32 | C49 | H44 | 91.3° | 90.0° |
| C24 | C32 | C49 | H45 | 148.7° | 150.0° |
| C24 | C32 | C49 | H46 | 28.7° | 30.0° |
| C31 | C32 | C24 | C28 | 0.3° | 2.0° |
| C32 | C31 | CL2 | C30 | 179.1° | 175.9° |
| C32 | C31 | C30 | C29 | 1.8° | 4.4° |
| C32 | C31 | C30 | O5 | 176.8° | 179.8° |
| C31 | C32 | C49 | H44 | 91.3° | 93.3° |
| C31 | C32 | C49 | H45 | 28.7° | 26.7° |
| C31 | C32 | C49 | H46 | 148.7° | 146.7° |
| C24 | C28 | C33 | C29 | 175.5° | 176.4° |
| C24 | C28 | C29 | C30 | 3.7° | 0.4° |
| C24 | C28 | C29 | CL1 | 171.3° | 176.6° |
| C24 | C28 | C33 | H16 | 87.8° | 90.0° |
| C24 | C28 | C33 | H17 | 152.2° | 150.0° |
| C24 | C28 | C33 | H18 | 32.2° | 29.9° |
| N2 | C10 | C9 | H3 | 180.0° | 180.0° |
| N2 | C10 | C9 | C8 | 0.5° | 0.0° |
| C10 | N2 | C7 | C6 | 179.5° | 180.0° |
| C10 | N2 | C7 | N1 | 0.7° | 0.0° |
| N2 | C10 | C9 | H9 | 179.5° | 180.0° |
| C9 | C10 | N2 | C7 | 0.3° | 0.0° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | N1 | 0.9° | 0.0° |
| C10 | C9 | C8 | C11 | 179.5° | 180.0° |
| C39 | C27 | C34 | C38 | 178.3° | 179.1° |
| C39 | C27 | C38 | O1 | 6.5° | 3.0° |
| C39 | C27 | C34 | C35 | 178.8° | 178.8° |
| C39 | C27 | C38 | C37 | 177.8° | 177.5° |
| C27 | C39 | C25 | H14 | 80.8° | 132.9° |
| C39 | C27 | C34 | H19 | 1.2° | 4.0° |
| C27 | C39 | H22 | H23 | 117.3° | 114.4° |
| CL2 | C31 | C30 | C29 | 179.2° | 179.8° |
| CL2 | C31 | C30 | O5 | 2.2° | 4.3° |
| C31 | C30 | C29 | C28 | 3.8° | 2.5° |
| C31 | C30 | C29 | O5 | 178.6° | 175.5° |
| C31 | C30 | C29 | CL1 | 171.2° | 178.8° |
| C31 | C30 | O5 | C40 | 103.9° | 69.1° |
| N2 | C7 | C6 | N1 | 179.8° | 180.0° |
| N2 | C7 | C6 | C5 | 0.6° | 0.0° |
| N2 | C7 | N1 | C8 | 0.2° | 0.0° |
| N2 | C7 | C6 | C1 | 179.4° | 179.9° |
| C7 | N2 | C10 | H3 | 179.7° | 180.0° |
| C9 | C8 | N1 | C7 | 0.6° | 0.0° |
| C9 | C8 | N1 | C11 | 179.6° | 180.0° |
| C9 | C8 | C11 | O1 | 4.1° | 0.0° |
| C8 | C9 | C10 | H3 | 179.6° | 180.0° |
| C9 | C8 | C11 | H10 | 115.8° | 119.9° |
| C9 | C8 | C11 | H11 | 124.0° | 120.0° |
| C33 | C28 | C29 | C30 | 172.0° | 176.2° |
| C33 | C28 | C29 | CL1 | 13.0° | 0.0° |
| C28 | C33 | H16 | H17 | 120.0° | 119.9° |
| C28 | C33 | H16 | H18 | 120.0° | 119.9° |
| C28 | C33 | H17 | H18 | 120.0° | 120.0° |
| C28 | C29 | C30 | CL1 | 175.0° | 176.3° |
| C28 | C29 | C30 | O5 | 174.8° | 178.0° |
| C29 | C28 | C33 | H16 | 87.7° | 93.6° |
| C29 | C28 | C33 | H17 | 32.3° | 26.4° |
| C29 | C28 | C33 | H18 | 152.3° | 146.5° |
| C34 | C27 | C38 | O1 | 171.8° | 176.1° |
| C27 | C34 | C35 | H19 | 180.0° | 177.2° |
| C34 | C27 | C38 | C37 | 3.9° | 1.6° |
| C27 | C34 | C35 | C36 | 3.8° | 3.1° |
| C27 | C34 | C35 | O6 | 162.3° | 179.5° |
| C34 | C27 | C39 | H22 | 135.4° | 46.7° |
| C34 | C27 | C39 | H23 | 17.1° | 164.1° |
| C27 | C38 | O1 | C37 | 175.6° | 174.7° |
| C27 | C38 | O1 | C11 | 175.7° | 180.0° |
| C38 | C27 | C34 | C35 | 0.5° | 0.3° |
| C27 | C38 | C37 | C36 | 3.0° | 0.6° |
| C38 | C27 | C34 | H19 | 179.5° | 176.9° |
| C27 | C38 | C37 | H21 | 177.0° | 177.7° |
| C38 | C27 | C39 | H22 | 42.9° | 134.3° |
| C38 | C27 | C39 | H23 | 161.1° | 16.8° |
| C29 | C30 | O5 | C40 | 74.7° | 115.6° |
| O5 | C30 | C29 | CL1 | 10.2° | 5.7° |
| C30 | O5 | C40 | C41 | 37.4° | 51.9° |
| C30 | O5 | C40 | C42 | 163.8° | 174.2° |
| C30 | O5 | C40 | H24 | 78.4° | 61.8° |
| C7 | C6 | C5 | C4 | 179.8° | 180.0° |
| C7 | C6 | C5 | C1 | 179.9° | 179.9° |
| C6 | C7 | N1 | C8 | 180.0° | 180.0° |
| C7 | C6 | C1 | C2 | 179.6° | 179.9° |
| C7 | C6 | C5 | H2 | 0.2° | 0.1° |
| C7 | C6 | C1 | H7 | 0.4° | 0.1° |
| N1 | C7 | C6 | C5 | 179.2° | 180.0° |
| C7 | N1 | C8 | C11 | 179.8° | 180.0° |
| N1 | C7 | C6 | C1 | 0.7° | 0.0° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C4 | C5 | C6 | C1 | 0.1° | 0.1° |
| C5 | C4 | C3 | C2 | 1.7° | 0.1° |
| C5 | C4 | C3 | O7 | 172.8° | 179.7° |
| C6 | C5 | C4 | C3 | 0.8° | 0.1° |
| C5 | C6 | C1 | C2 | 0.3° | 0.0° |
| C6 | C5 | C4 | H1 | 179.2° | 179.8° |
| C5 | C6 | C1 | H7 | 179.7° | 180.0° |
| N1 | C8 | C11 | O1 | 176.3° | 180.0° |
| N1 | C8 | C9 | H9 | 179.0° | 180.0° |
| N1 | C8 | C11 | H10 | 63.9° | 60.1° |
| N1 | C8 | C11 | H11 | 56.4° | 60.0° |
| C8 | C11 | O1 | C38 | 173.8° | 180.0° |
| C8 | C11 | O1 | H10 | 119.9° | 120.0° |
| C8 | C11 | O1 | H11 | 119.9° | 120.0° |
| C11 | C8 | C9 | H9 | 0.6° | 0.0° |
| C8 | C11 | H10 | H11 | 120.3° | 120.0° |
| O1 | C38 | C37 | C36 | 172.4° | 173.6° |
| C38 | O1 | C11 | H10 | 54.0° | 60.0° |
| C38 | O1 | C11 | H11 | 66.3° | 60.0° |
| O1 | C38 | C37 | H21 | 7.6° | 3.5° |
| C11 | O1 | C38 | C37 | 8.7° | 5.3° |
| O1 | C11 | H10 | H11 | 120.4° | 120.0° |
| C34 | C35 | C36 | O6 | 168.3° | 176.1° |
| C34 | C35 | C36 | C37 | 4.7° | 5.6° |
| C34 | C35 | O6 | C41 | 8.0° | 39.3° |
| C34 | C35 | C36 | H20 | 175.3° | 179.7° |
| C38 | C37 | C36 | C35 | 1.3° | 4.3° |
| C38 | C37 | C36 | H21 | 180.0° | 177.3° |
| C38 | C37 | C36 | H20 | 178.7° | 179.0° |
| C4 | C3 | C2 | C1 | 1.5° | 0.0° |
| C4 | C3 | C2 | O7 | 174.1° | 179.8° |
| C4 | C3 | O7 | C48 | 170.8° | 180.0° |
| C3 | C4 | C5 | H2 | 179.2° | 180.0° |
| C4 | C3 | C2 | H8 | 178.5° | 179.9° |
| C6 | C1 | C2 | H7 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.5° | 0.0° |
| C1 | C6 | C5 | H2 | 179.9° | 180.0° |
| C6 | C1 | C2 | H8 | 179.5° | 180.0° |
| O5 | C40 | C41 | C42 | 127.4° | 124.6° |
| O5 | C40 | C41 | H24 | 116.0° | 114.5° |
| O5 | C40 | C41 | O6 | 101.3° | 160.6° |
| O5 | C40 | C42 | H24 | 118.2° | 121.2° |
| O5 | C40 | C42 | N5 | 27.0° | 65.0° |
| O5 | C40 | C41 | H25 | 18.6° | 82.7° |
| O5 | C40 | C41 | H26 | 138.9° | 39.9° |
| O5 | C40 | C42 | H27 | 148.6° | 175.0° |
| O5 | C40 | C42 | H28 | 94.6° | 55.0° |
| C35 | C36 | C37 | H20 | 180.0° | 174.7° |
| C36 | C35 | O6 | C41 | 159.1° | 137.0° |
| C36 | C35 | C34 | H19 | 176.2° | 179.7° |
| C35 | C36 | C37 | H21 | 178.7° | 178.5° |
| O6 | C35 | C36 | C37 | 163.6° | 178.3° |
| C35 | O6 | C41 | C40 | 142.9° | 134.5° |
| O6 | C35 | C34 | H19 | 17.7° | 3.3° |
| O6 | C35 | C36 | H20 | 16.4° | 3.5° |
| C35 | O6 | C41 | H25 | 23.0° | 108.8° |
| C35 | O6 | C41 | H26 | 97.3° | 14.2° |
| C1 | C2 | C3 | H8 | 180.0° | 179.9° |
| C1 | C2 | C3 | O7 | 172.6° | 179.8° |
| C40 | C41 | O6 | H25 | 119.9° | 116.7° |
| C40 | C41 | O6 | H26 | 119.9° | 120.4° |
| C41 | C40 | C42 | H24 | 116.7° | 117.2° |
| C41 | C40 | C42 | N5 | 152.1° | 173.4° |
| C40 | C41 | H25 | H26 | 120.5° | 120.8° |
| C41 | C40 | C42 | H27 | 86.4° | 53.4° |
| C41 | C40 | C42 | H28 | 30.5° | 66.6° |
| O6 | C41 | C40 | C42 | 131.3° | 74.8° |
| O6 | C41 | C40 | H24 | 14.8° | 46.1° |
| O6 | C41 | H25 | H26 | 120.4° | 121.5° |
| C2 | C3 | O7 | C48 | 3.4° | 0.2° |
| C2 | C3 | C4 | H1 | 178.4° | 179.7° |
| C3 | C2 | C1 | H7 | 179.5° | 180.0° |
| C3 | O7 | C48 | C50 | 175.6° | 180.0° |
| O7 | C3 | C4 | H1 | 7.2° | 0.0° |
| O7 | C3 | C2 | H8 | 7.4° | 0.3° |
| C3 | O7 | C48 | H42 | 64.6° | 60.0° |
| C3 | O7 | C48 | H43 | 55.8° | 60.0° |
| C40 | C42 | N5 | H27 | 121.6° | 120.0° |
| C40 | C42 | N5 | H28 | 121.5° | 120.0° |
| C40 | C42 | N5 | C46 | 59.4° | 170.0° |
| C40 | C42 | N5 | C43 | 177.5° | 66.1° |
| C42 | C40 | C41 | H25 | 108.9° | 41.9° |
| C42 | C40 | C41 | H26 | 11.4° | 164.5° |
| C40 | C42 | H27 | H28 | 115.0° | 120.0° |
| O7 | C48 | C50 | O8 | 6.7° | 65.4° |
| O7 | C48 | C50 | H42 | 119.8° | 120.0° |
| O7 | C48 | C50 | H43 | 119.8° | 120.0° |
| O7 | C48 | C50 | C53 | 114.7° | 175.0° |
| O7 | C48 | H42 | H43 | 120.6° | 120.0° |
| O7 | C48 | C50 | H47 | 124.9° | 54.9° |
| C42 | N5 | C46 | C43 | 125.0° | 123.9° |
| C42 | N5 | C46 | C45 | 174.9° | 176.8° |
| C42 | N5 | C43 | C44 | 177.2° | 176.8° |
| N5 | C42 | C40 | H24 | 91.3° | 56.3° |
| N5 | C42 | H27 | H28 | 115.0° | 120.0° |
| C42 | N5 | C43 | H30 | 62.7° | 63.3° |
| C42 | N5 | C43 | H31 | 57.0° | 56.8° |
| C42 | N5 | C46 | H37 | 54.8° | 56.8° |
| C42 | N5 | C46 | H38 | 65.1° | 63.3° |
| N5 | C46 | C45 | H37 | 120.1° | 120.0° |
| N5 | C46 | C45 | H38 | 120.1° | 119.9° |
| N5 | C46 | C45 | N6 | 60.4° | 58.3° |
| C46 | N5 | C43 | C44 | 58.2° | 59.3° |
| C46 | N5 | C42 | H27 | 62.2° | 49.9° |
| C46 | N5 | C42 | H28 | 179.0° | 70.0° |
| C46 | N5 | C43 | H30 | 61.9° | 60.6° |
| C46 | N5 | C43 | H31 | 178.4° | 179.3° |
| N5 | C46 | C45 | H35 | 59.8° | 178.4° |
| N5 | C46 | C45 | H36 | 179.3° | 61.6° |
| N5 | C46 | H37 | H38 | 119.8° | 120.0° |
| C43 | N5 | C46 | C45 | 60.1° | 59.3° |
| N5 | C43 | C44 | H30 | 120.2° | 119.9° |
| N5 | C43 | C44 | H31 | 120.2° | 120.0° |
| N5 | C43 | C44 | N6 | 56.4° | 58.4° |
| C43 | N5 | C42 | H27 | 60.9° | 173.8° |
| C43 | N5 | C42 | H28 | 56.0° | 53.8° |
| N5 | C43 | H30 | H31 | 119.5° | 120.1° |
| N5 | C43 | C44 | H32 | 176.7° | 178.3° |
| N5 | C43 | C44 | H33 | 63.8° | 61.6° |
| C43 | N5 | C46 | H37 | 179.8° | 179.3° |
| C43 | N5 | C46 | H38 | 59.9° | 60.6° |
| C46 | C45 | N6 | H35 | 120.3° | 120.1° |
| C46 | C45 | N6 | H36 | 120.3° | 119.9° |
| C46 | C45 | N6 | C47 | 179.9° | 176.8° |
| C46 | C45 | N6 | C44 | 57.5° | 59.3° |
| C46 | C45 | H35 | H36 | 119.3° | 120.0° |
| C45 | C46 | H37 | H38 | 119.8° | 120.0° |
| C45 | N6 | C47 | C44 | 122.1° | 123.8° |
| C45 | N6 | C44 | C43 | 55.3° | 59.3° |
| C45 | N6 | C44 | H32 | 175.6° | 179.3° |
| C45 | N6 | C44 | H33 | 64.9° | 60.6° |
| N6 | C45 | H35 | H36 | 119.3° | 120.0° |
| N6 | C45 | C46 | H37 | 179.5° | 178.3° |
| N6 | C45 | C46 | H38 | 59.6° | 61.6° |
| C45 | N6 | C47 | H39 | 180.0° | 63.8° |
| C45 | N6 | C47 | H40 | 60.0° | 56.2° |
| C45 | N6 | C47 | H41 | 60.0° | 176.2° |
| O8 | C51 | C52 | H48 | 120.1° | 119.9° |
| O8 | C51 | C52 | H49 | 120.1° | 119.9° |
| O8 | C51 | C52 | O9 | 44.0° | 55.4° |
| C51 | O8 | C50 | C48 | 171.1° | 177.9° |
| C51 | O8 | C50 | C53 | 47.1° | 58.0° |
| C51 | O8 | C50 | H47 | 71.4° | 61.9° |
| O8 | C51 | H48 | H49 | 119.7° | 120.1° |
| O8 | C51 | C52 | H50 | 76.5° | 64.5° |
| O8 | C51 | C52 | H51 | 164.4° | 175.2° |
| C52 | C51 | O8 | C50 | 41.9° | 58.0° |
| C51 | C52 | O9 | H50 | 120.4° | 119.9° |
| C51 | C52 | O9 | H51 | 120.4° | 119.9° |
| C51 | C52 | O9 | C53 | 55.7° | 58.0° |
| C52 | C51 | H48 | H49 | 119.7° | 120.2° |
| C51 | C52 | H50 | H51 | 118.7° | 120.2° |
| O8 | C50 | C48 | C53 | 121.4° | 119.7° |
| O8 | C50 | C48 | H47 | 118.1° | 120.2° |
| O8 | C50 | C53 | H47 | 119.2° | 120.0° |
| O8 | C50 | C53 | O9 | 54.0° | 55.3° |
| O8 | C50 | C48 | H42 | 113.1° | 174.6° |
| O8 | C50 | C48 | H43 | 126.6° | 54.7° |
| C50 | O8 | C51 | H48 | 162.0° | 177.9° |
| C50 | O8 | C51 | H49 | 78.2° | 62.0° |
| O8 | C50 | C53 | H52 | 174.2° | 175.2° |
| O8 | C50 | C53 | H53 | 66.3° | 64.6° |
| C47 | N6 | C44 | C43 | 177.7° | 176.8° |
| C47 | N6 | C44 | H32 | 62.1° | 56.9° |
| C47 | N6 | C44 | H33 | 57.4° | 63.2° |
| C47 | N6 | C45 | H35 | 59.6° | 56.8° |
| C47 | N6 | C45 | H36 | 59.8° | 63.3° |
| N6 | C47 | H39 | H40 | 120.0° | 120.0° |
| N6 | C47 | H39 | H41 | 120.0° | 120.0° |
| N6 | C47 | H40 | H41 | 120.0° | 120.0° |
| C43 | C44 | N6 | H32 | 120.3° | 119.9° |
| C43 | C44 | N6 | H33 | 120.3° | 120.0° |
| C44 | C43 | H30 | H31 | 119.5° | 120.1° |
| C43 | C44 | H32 | H33 | 119.3° | 120.1° |
| N6 | C44 | C43 | H30 | 63.7° | 61.5° |
| N6 | C44 | C43 | H31 | 176.6° | 178.3° |
| N6 | C44 | H32 | H33 | 119.2° | 120.1° |
| C44 | N6 | C45 | H35 | 62.8° | 179.4° |
| C44 | N6 | C45 | H36 | 177.7° | 60.6° |
| C44 | N6 | C47 | H39 | 57.9° | 60.0° |
| C44 | N6 | C47 | H40 | 62.1° | 180.0° |
| C44 | N6 | C47 | H41 | 177.9° | 60.0° |
| C52 | O9 | C53 | C50 | 61.3° | 57.9° |
| O9 | C52 | C51 | H48 | 164.1° | 175.2° |
| O9 | C52 | C51 | H49 | 76.1° | 64.6° |
| O9 | C52 | H50 | H51 | 118.8° | 120.1° |
| C52 | O9 | C53 | H52 | 178.4° | 177.8° |
| C52 | O9 | C53 | H53 | 58.9° | 62.0° |
| C48 | C50 | C53 | H47 | 120.5° | 120.1° |
| C48 | C50 | C53 | O9 | 174.3° | 175.2° |
| C50 | C48 | H42 | H43 | 120.6° | 120.0° |
| C48 | C50 | C53 | H52 | 65.4° | 64.9° |
| C48 | C50 | C53 | H53 | 54.1° | 55.3° |
| C50 | C53 | O9 | H52 | 120.2° | 119.9° |
| C50 | C53 | O9 | H53 | 120.3° | 119.9° |
| C53 | C50 | C48 | H42 | 125.5° | 55.0° |
| C53 | C50 | C48 | H43 | 5.1° | 65.0° |
| C50 | C53 | H52 | H53 | 119.2° | 120.1° |
| O9 | C53 | C50 | H47 | 65.2° | 64.7° |
| C53 | O9 | C52 | H50 | 64.7° | 62.0° |
| C53 | O9 | C52 | H51 | 176.1° | 177.9° |
| O9 | C53 | H52 | H53 | 119.2° | 120.2° |
| H1 | C4 | C5 | H2 | 0.8° | 0.3° |
| H3 | C10 | C9 | H9 | 0.5° | 0.0° |
| H5 | C20 | C19 | H12 | 0.1° | 0.2° |
| H6 | C22 | C23 | H13 | 0.3° | 0.3° |
| H7 | C1 | C2 | H8 | 0.5° | 0.0° |
| H14 | C25 | C39 | H22 | 40.1° | 108.5° |
| H14 | C25 | C39 | H23 | 158.3° | 15.3° |
| H16 | C33 | H17 | H18 | 120.0° | 120.1° |
| H20 | C36 | C37 | H21 | 1.3° | 3.8° |
| H24 | C40 | C41 | H25 | 134.6° | 162.9° |
| H24 | C40 | C41 | H26 | 105.1° | 74.5° |
| H24 | C40 | C42 | H27 | 30.3° | 63.8° |
| H24 | C40 | C42 | H28 | 147.2° | 176.2° |
| H30 | C43 | C44 | H32 | 56.5° | 58.4° |
| H30 | C43 | C44 | H33 | 176.1° | 178.5° |
| H31 | C43 | C44 | H32 | 63.1° | 61.7° |
| H31 | C43 | C44 | H33 | 56.4° | 58.4° |
| H35 | C45 | C46 | H37 | 60.3° | 61.6° |
| H35 | C45 | C46 | H38 | 179.9° | 58.5° |
| H36 | C45 | C46 | H37 | 59.3° | 58.4° |
| H36 | C45 | C46 | H38 | 60.6° | 178.5° |
| H39 | C47 | H40 | H41 | 120.0° | 120.0° |
| H42 | C48 | C50 | H47 | 5.1° | 65.1° |
| H43 | C48 | C50 | H47 | 115.3° | 174.9° |
| H44 | C49 | H45 | H46 | 120.0° | 120.1° |
| H47 | C50 | C53 | H52 | 55.0° | 55.2° |
| H47 | C50 | C53 | H53 | 174.5° | 175.4° |
| H48 | C51 | C52 | H50 | 43.6° | 55.3° |
| H48 | C51 | C52 | H51 | 75.5° | 64.9° |
| H49 | C51 | C52 | H50 | 163.4° | 175.5° |
| H49 | C51 | C52 | H51 | 44.3° | 55.3° |
