FWQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | S71 | doub | 1.45Å | 1.48Å | |
| C43 | C50 | sing | 1.50Å | 1.52Å | |
| C43 | C40 | sing | 1.50Å | 1.51Å | |
| C51 | C52 | doub | 1.39Å | 1.40Å | Aromatic |
| C51 | C50 | sing | 1.38Å | 1.40Å | Aromatic |
| S71 | O23 | doub | 1.45Å | 1.48Å | |
| S71 | C52 | sing | 1.76Å | 1.60Å | |
| S71 | O22 | sing | 1.45Å | 1.48Å | |
| C52 | C53 | sing | 1.38Å | 1.39Å | Aromatic |
| C50 | C55 | doub | 1.39Å | 1.40Å | Aromatic |
| O19 | S70 | doub | 1.45Å | 1.48Å | |
| C39 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| O20 | S70 | doub | 1.45Å | 1.47Å | |
| C40 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| C55 | O6 | sing | 1.36Å | 1.35Å | |
| C55 | C54 | sing | 1.39Å | 1.40Å | Aromatic |
| C53 | C54 | doub | 1.38Å | 1.39Å | Aromatic |
| C54 | C72 | sing | 1.50Å | 1.51Å | |
| S70 | C38 | sing | 1.76Å | 1.61Å | |
| S70 | O21 | sing | 1.45Å | 1.47Å | |
| C38 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | O5 | sing | 1.36Å | 1.35Å | |
| C41 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C72 | C46 | sing | 1.50Å | 1.52Å | |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C29 | sing | 1.50Å | 1.53Å | |
| C29 | C20 | sing | 1.50Å | 1.53Å | |
| C46 | C45 | doub | 1.39Å | 1.40Å | Aromatic |
| C46 | C47 | sing | 1.38Å | 1.40Å | Aromatic |
| O1 | C45 | sing | 1.36Å | 1.37Å | |
| O17 | S69 | doub | 1.45Å | 1.47Å | |
| C45 | C44 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C47 | C48 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| O16 | S69 | doub | 1.45Å | 1.47Å | |
| S69 | C18 | sing | 1.76Å | 1.61Å | |
| S69 | O18 | sing | 1.46Å | 1.48Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | O4 | sing | 1.36Å | 1.35Å | |
| C21 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C44 | C14 | sing | 1.50Å | 1.53Å | |
| C44 | C49 | doub | 1.38Å | 1.41Å | Aromatic |
| C48 | C49 | sing | 1.38Å | 1.41Å | Aromatic |
| C48 | S64 | sing | 1.76Å | 1.62Å | |
| O9 | S64 | doub | 1.45Å | 1.47Å | |
| C14 | C12 | sing | 1.50Å | 1.52Å | |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| S64 | O7 | doub | 1.45Å | 1.47Å | |
| S64 | O8 | sing | 1.46Å | 1.48Å | |
| C16 | C15 | sing | 1.50Å | 1.51Å | |
| O2 | C13 | sing | 1.36Å | 1.34Å | |
| C15 | C4 | sing | 1.50Å | 1.53Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| O3 | C3 | sing | 1.36Å | 1.35Å | |
| C13 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.50Å | 1.51Å | |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | S67 | sing | 1.76Å | 1.60Å | |
| C2 | C7 | sing | 1.50Å | 1.52Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| O10 | S67 | doub | 1.45Å | 1.48Å | |
| S67 | O11 | doub | 1.45Å | 1.48Å | |
| S67 | O12 | sing | 1.45Å | 1.48Å | |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | S68 | sing | 1.76Å | 1.61Å | |
| O15 | S68 | doub | 1.45Å | 1.49Å | |
| S68 | O13 | doub | 1.46Å | 1.46Å | |
| S68 | O14 | sing | 1.45Å | 1.50Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C37 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C39 | H16 | sing | 1.08Å | 1.08Å | |
| C43 | H17 | sing | 1.09Å | 1.10Å | |
| C43 | H18 | sing | 1.09Å | 1.10Å | |
| C47 | H19 | sing | 1.08Å | 1.08Å | |
| C49 | H20 | sing | 1.08Å | 1.08Å | |
| C51 | H21 | sing | 1.08Å | 1.08Å | |
| C53 | H22 | sing | 1.08Å | 1.08Å | |
| O1 | H23 | sing | 0.97Å | 0.95Å | |
| O2 | H24 | sing | 0.97Å | 0.95Å | |
| O3 | H25 | sing | 0.97Å | 0.95Å | |
| O4 | H26 | sing | 0.97Å | 0.95Å | |
| O5 | H27 | sing | 0.97Å | 0.95Å | |
| O6 | H28 | sing | 0.97Å | 0.95Å | |
| C72 | H29 | sing | 1.09Å | 1.10Å | |
| C72 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | S71 | O23 | 109.5° | 112.1° |
| O24 | S71 | C52 | 109.0° | 106.7° |
| O24 | S71 | O22 | 110.0° | 112.0° |
| C50 | C43 | C40 | 113.3° | 111.4° |
| C43 | C50 | C51 | 117.0° | 120.6° |
| C43 | C50 | C55 | 122.6° | 119.3° |
| C50 | C43 | H17 | 108.5° | 109.1° |
| C50 | C43 | H18 | 108.5° | 109.1° |
| C43 | C40 | C39 | 119.1° | 120.6° |
| C43 | C40 | C41 | 120.8° | 119.5° |
| C40 | C43 | H17 | 108.5° | 109.1° |
| C40 | C43 | H18 | 108.5° | 109.1° |
| C52 | C51 | C50 | 120.5° | 120.0° |
| C51 | C52 | S71 | 120.8° | 120.0° |
| C51 | C52 | C53 | 119.3° | 120.1° |
| C52 | C51 | H21 | 119.8° | 120.0° |
| C51 | C50 | C55 | 119.5° | 120.1° |
| C50 | C51 | H21 | 119.7° | 120.0° |
| O23 | S71 | C52 | 109.5° | 106.8° |
| O23 | S71 | O22 | 109.1° | 112.1° |
| C52 | S71 | O22 | 109.7° | 106.8° |
| S71 | C52 | C53 | 119.9° | 119.9° |
| C52 | C53 | C54 | 120.6° | 120.1° |
| C52 | C53 | H22 | 119.7° | 120.0° |
| C50 | C55 | O6 | 122.0° | 120.1° |
| C50 | C55 | C54 | 119.7° | 119.9° |
| O19 | S70 | O20 | 107.6° | 112.0° |
| O19 | S70 | C38 | 107.1° | 106.7° |
| O19 | S70 | O21 | 110.4° | 112.1° |
| C40 | C39 | C38 | 120.9° | 120.2° |
| C39 | C40 | C41 | 119.3° | 119.9° |
| C40 | C39 | H16 | 119.5° | 119.9° |
| C39 | C38 | S70 | 120.7° | 120.0° |
| C39 | C38 | C37 | 118.2° | 120.0° |
| C38 | C39 | H16 | 119.6° | 119.9° |
| O20 | S70 | C38 | 111.8° | 106.7° |
| O20 | S70 | O21 | 110.0° | 112.1° |
| C40 | C41 | O5 | 121.8° | 120.1° |
| C40 | C41 | C36 | 120.7° | 119.9° |
| O6 | C55 | C54 | 118.2° | 120.0° |
| C55 | O6 | H28 | 109.5° | 114.0° |
| C55 | C54 | C53 | 120.0° | 119.8° |
| C55 | C54 | C72 | 120.5° | 119.4° |
| C53 | C54 | C72 | 119.4° | 120.7° |
| C54 | C53 | H22 | 119.7° | 119.9° |
| C54 | C72 | C46 | 112.3° | 111.6° |
| C54 | C72 | H29 | 108.7° | 109.0° |
| C54 | C72 | H30 | 108.7° | 109.1° |
| C38 | S70 | O21 | 109.9° | 106.8° |
| S70 | C38 | C37 | 120.9° | 120.0° |
| C38 | C37 | C36 | 121.7° | 120.1° |
| C38 | C37 | H13 | 119.2° | 119.9° |
| O5 | C41 | C36 | 116.9° | 120.0° |
| C41 | O5 | H27 | 109.5° | 114.0° |
| C41 | C36 | C37 | 118.7° | 119.9° |
| C41 | C36 | C29 | 117.4° | 119.3° |
| C72 | C46 | C45 | 122.1° | 119.3° |
| C72 | C46 | C47 | 118.6° | 120.7° |
| C46 | C72 | H29 | 108.7° | 109.1° |
| C46 | C72 | H30 | 108.8° | 109.1° |
| C37 | C36 | C29 | 123.8° | 120.7° |
| C36 | C37 | H13 | 119.1° | 120.0° |
| C36 | C29 | C20 | 116.9° | 111.7° |
| C36 | C29 | H14 | 107.6° | 109.0° |
| C36 | C29 | H15 | 107.6° | 109.0° |
| C29 | C20 | C19 | 121.7° | 120.6° |
| C29 | C20 | C21 | 117.7° | 119.5° |
| C20 | C29 | H14 | 107.6° | 109.0° |
| C20 | C29 | H15 | 107.6° | 109.0° |
| C45 | C46 | C47 | 118.6° | 120.0° |
| C46 | C45 | O1 | 122.7° | 120.0° |
| C46 | C45 | C44 | 120.6° | 120.0° |
| C46 | C47 | C48 | 121.4° | 120.1° |
| C46 | C47 | H19 | 119.3° | 119.9° |
| O1 | C45 | C44 | 116.6° | 120.0° |
| C45 | O1 | H23 | 109.5° | 114.0° |
| O17 | S69 | O16 | 107.3° | 112.1° |
| O17 | S69 | C18 | 107.0° | 106.8° |
| O17 | S69 | O18 | 114.3° | 112.1° |
| C45 | C44 | C14 | 117.7° | 119.3° |
| C45 | C44 | C49 | 119.5° | 119.8° |
| C20 | C19 | C18 | 118.7° | 120.1° |
| C19 | C20 | C21 | 119.9° | 119.9° |
| C20 | C19 | H12 | 120.7° | 120.0° |
| C19 | C18 | S69 | 121.3° | 120.0° |
| C19 | C18 | C17 | 120.2° | 120.0° |
| C18 | C19 | H12 | 120.7° | 119.9° |
| C47 | C48 | C49 | 118.2° | 120.0° |
| C47 | C48 | S64 | 120.1° | 120.0° |
| C48 | C47 | H19 | 119.3° | 120.0° |
| C20 | C21 | O4 | 116.9° | 120.1° |
| C20 | C21 | C16 | 121.5° | 119.9° |
| O16 | S69 | C18 | 108.5° | 106.7° |
| O16 | S69 | O18 | 109.1° | 112.0° |
| C18 | S69 | O18 | 110.5° | 106.7° |
| S69 | C18 | C17 | 118.3° | 120.0° |
| C18 | C17 | C16 | 121.6° | 120.0° |
| C18 | C17 | H11 | 119.2° | 120.0° |
| O4 | C21 | C16 | 121.5° | 120.1° |
| C21 | O4 | H26 | 109.5° | 114.0° |
| C21 | C16 | C17 | 117.9° | 120.0° |
| C21 | C16 | C15 | 123.4° | 119.1° |
| C14 | C44 | C49 | 122.6° | 120.9° |
| C44 | C14 | C12 | 115.6° | 111.7° |
| C44 | C14 | H7 | 107.9° | 109.0° |
| C44 | C14 | H8 | 107.9° | 109.0° |
| C44 | C49 | C48 | 120.4° | 120.2° |
| C44 | C49 | H20 | 119.8° | 119.9° |
| C49 | C48 | S64 | 120.9° | 120.0° |
| C48 | C49 | H20 | 119.8° | 119.9° |
| C48 | S64 | O9 | 109.6° | 106.7° |
| C48 | S64 | O7 | 106.7° | 106.8° |
| C48 | S64 | O8 | 109.7° | 106.8° |
| O9 | S64 | O7 | 113.0° | 112.1° |
| O9 | S64 | O8 | 109.3° | 112.0° |
| C14 | C12 | C13 | 119.5° | 119.2° |
| C14 | C12 | C11 | 120.7° | 120.9° |
| C12 | C14 | H7 | 107.9° | 109.1° |
| C12 | C14 | H8 | 107.9° | 109.0° |
| C17 | C16 | C15 | 116.8° | 120.8° |
| C16 | C17 | H11 | 119.2° | 120.0° |
| O7 | S64 | O8 | 108.4° | 112.0° |
| C16 | C15 | C4 | 115.4° | 111.8° |
| C16 | C15 | H9 | 108.0° | 109.0° |
| C16 | C15 | H10 | 108.0° | 109.0° |
| O2 | C13 | C12 | 117.8° | 120.1° |
| O2 | C13 | C8 | 120.9° | 120.1° |
| C13 | O2 | H24 | 109.5° | 114.0° |
| C15 | C4 | C3 | 119.7° | 119.2° |
| C15 | C4 | C5 | 121.2° | 120.9° |
| C4 | C15 | H9 | 108.0° | 109.0° |
| C4 | C15 | H10 | 108.0° | 109.0° |
| C13 | C12 | C11 | 119.1° | 120.0° |
| C12 | C13 | C8 | 120.0° | 119.8° |
| C12 | C11 | C10 | 121.2° | 120.2° |
| C12 | C11 | H6 | 119.4° | 120.0° |
| O3 | C3 | C4 | 117.7° | 120.0° |
| O3 | C3 | C2 | 119.9° | 120.0° |
| C3 | O3 | H25 | 109.5° | 114.0° |
| C13 | C8 | C7 | 119.5° | 119.4° |
| C13 | C8 | C9 | 120.9° | 120.0° |
| C11 | C10 | C9 | 119.2° | 120.0° |
| C11 | C10 | S67 | 120.4° | 120.0° |
| C10 | C11 | H6 | 119.4° | 119.9° |
| C3 | C4 | C5 | 118.3° | 119.8° |
| C4 | C3 | C2 | 122.1° | 120.0° |
| C4 | C5 | C6 | 120.1° | 120.3° |
| C4 | C5 | H2 | 119.9° | 119.9° |
| C3 | C2 | C7 | 121.7° | 119.5° |
| C3 | C2 | C1 | 118.7° | 119.9° |
| C7 | C8 | C9 | 119.6° | 120.5° |
| C8 | C7 | C2 | 112.1° | 111.2° |
| C8 | C7 | H3 | 108.8° | 109.2° |
| C8 | C7 | H4 | 108.8° | 109.0° |
| C8 | C9 | C10 | 119.0° | 120.1° |
| C8 | C9 | H5 | 120.5° | 120.0° |
| C9 | C10 | S67 | 120.4° | 120.0° |
| C10 | C9 | H5 | 120.5° | 119.9° |
| C10 | S67 | O10 | 110.0° | 106.8° |
| C10 | S67 | O11 | 109.2° | 106.8° |
| C10 | S67 | O12 | 110.8° | 106.8° |
| C7 | C2 | C1 | 118.9° | 120.6° |
| C2 | C7 | H3 | 108.8° | 109.2° |
| C2 | C7 | H4 | 108.8° | 109.1° |
| C2 | C1 | C6 | 120.6° | 120.1° |
| C2 | C1 | H1 | 119.7° | 119.9° |
| C5 | C6 | C1 | 120.1° | 119.9° |
| C5 | C6 | S68 | 121.3° | 120.1° |
| C6 | C5 | H2 | 119.9° | 119.8° |
| O10 | S67 | O11 | 110.1° | 112.0° |
| O10 | S67 | O12 | 109.2° | 112.1° |
| O11 | S67 | O12 | 107.6° | 112.0° |
| C1 | C6 | S68 | 118.7° | 120.1° |
| C6 | C1 | H1 | 119.7° | 120.0° |
| C6 | S68 | O15 | 108.2° | 106.8° |
| C6 | S68 | O13 | 109.2° | 106.8° |
| C6 | S68 | O14 | 112.2° | 106.7° |
| O15 | S68 | O13 | 107.1° | 112.1° |
| O15 | S68 | O14 | 110.0° | 112.1° |
| O13 | S68 | O14 | 110.0° | 112.0° |
| H3 | C7 | H4 | 109.4° | 109.1° |
| H7 | C14 | H8 | 109.5° | 109.1° |
| H9 | C15 | H10 | 109.5° | 109.0° |
| H14 | C29 | H15 | 109.5° | 109.0° |
| H17 | C43 | H18 | 109.5° | 109.0° |
| H29 | C72 | H30 | 109.5° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | S71 | C52 | C51 | 84.9° | 30.0° |
| O24 | S71 | O23 | C52 | 119.5° | 116.5° |
| O24 | S71 | O23 | O22 | 120.4° | 126.9° |
| O24 | S71 | C52 | O22 | 120.5° | 119.9° |
| O24 | S71 | C52 | C53 | 97.9° | 150.0° |
| C50 | C43 | C40 | H17 | 120.6° | 120.5° |
| C50 | C43 | C40 | H18 | 120.6° | 120.5° |
| C43 | C50 | C51 | C52 | 176.2° | 179.3° |
| C43 | C50 | C51 | C55 | 169.9° | 179.6° |
| C50 | C43 | C40 | C39 | 99.8° | 59.0° |
| C50 | C43 | C40 | C41 | 90.5° | 122.4° |
| C43 | C50 | C55 | O6 | 4.5° | 1.1° |
| C43 | C50 | C55 | C54 | 176.2° | 179.0° |
| C50 | C43 | H17 | H18 | 118.3° | 119.0° |
| C43 | C50 | C51 | H21 | 3.8° | 0.7° |
| C40 | C43 | C50 | C51 | 102.1° | 57.4° |
| C40 | C43 | C50 | C55 | 88.3° | 123.1° |
| C43 | C40 | C39 | C41 | 169.9° | 178.6° |
| C43 | C40 | C39 | C38 | 176.5° | 178.1° |
| C43 | C40 | C41 | O5 | 11.8° | 2.4° |
| C43 | C40 | C41 | C36 | 176.8° | 177.6° |
| C43 | C40 | C39 | H16 | 3.4° | 1.9° |
| C40 | C43 | H17 | H18 | 118.3° | 119.0° |
| C52 | C51 | C50 | H21 | 180.0° | 180.0° |
| C51 | C52 | S71 | O23 | 34.9° | 150.0° |
| C51 | C52 | S71 | C53 | 177.2° | 179.9° |
| C51 | C52 | S71 | O22 | 154.5° | 90.0° |
| C52 | C51 | C50 | C55 | 6.3° | 0.3° |
| C51 | C52 | C53 | C54 | 0.7° | 0.5° |
| C51 | C52 | C53 | H22 | 179.3° | 179.7° |
| C50 | C51 | C52 | S71 | 174.0° | 179.8° |
| C50 | C51 | C52 | C53 | 3.2° | 0.3° |
| C51 | C50 | C55 | O6 | 173.9° | 179.3° |
| C51 | C50 | C55 | C54 | 6.8° | 0.6° |
| C51 | C50 | C43 | H17 | 18.4° | 177.9° |
| C51 | C50 | C43 | H18 | 137.3° | 63.1° |
| O23 | S71 | C52 | O22 | 119.7° | 120.0° |
| O23 | S71 | C52 | C53 | 142.3° | 29.9° |
| S71 | C52 | C53 | C54 | 176.5° | 179.6° |
| S71 | C52 | C51 | H21 | 6.0° | 0.2° |
| S71 | C52 | C53 | H22 | 3.5° | 0.3° |
| O22 | S71 | C52 | C53 | 22.6° | 90.1° |
| C52 | C53 | C54 | C55 | 1.3° | 0.2° |
| C52 | C53 | C54 | H22 | 180.0° | 179.8° |
| C52 | C53 | C54 | C72 | 178.1° | 178.5° |
| C53 | C52 | C51 | H21 | 176.8° | 179.8° |
| C50 | C55 | O6 | C54 | 179.3° | 179.9° |
| C50 | C55 | C54 | C53 | 4.4° | 0.3° |
| C50 | C55 | C54 | C72 | 178.8° | 178.0° |
| C55 | C50 | C43 | H17 | 151.2° | 2.5° |
| C55 | C50 | C43 | H18 | 32.3° | 116.5° |
| C55 | C50 | C51 | H21 | 173.7° | 179.7° |
| C50 | C55 | O6 | H28 | 180.0° | 90.0° |
| O19 | S70 | C38 | C39 | 97.7° | 30.0° |
| O19 | S70 | O20 | C38 | 117.3° | 116.5° |
| O19 | S70 | O20 | O21 | 120.3° | 127.0° |
| O19 | S70 | C38 | O21 | 120.0° | 120.0° |
| O19 | S70 | C38 | C37 | 77.9° | 150.0° |
| C40 | C39 | C38 | H16 | 180.0° | 179.9° |
| C40 | C39 | C38 | S70 | 178.5° | 180.0° |
| C40 | C39 | C38 | C37 | 2.7° | 0.0° |
| C39 | C40 | C41 | O5 | 178.5° | 179.0° |
| C39 | C40 | C41 | C36 | 7.2° | 1.1° |
| C39 | C40 | C43 | H17 | 20.8° | 179.5° |
| C39 | C40 | C43 | H18 | 139.7° | 61.4° |
| C39 | C38 | S70 | O20 | 19.9° | 150.0° |
| C38 | C39 | C40 | C41 | 6.7° | 0.5° |
| C39 | C38 | S70 | C37 | 175.6° | 180.0° |
| C39 | C38 | S70 | O21 | 142.3° | 90.0° |
| C39 | C38 | C37 | C36 | 0.9° | 0.1° |
| C39 | C38 | C37 | H13 | 179.2° | 179.9° |
| O20 | S70 | C38 | O21 | 122.4° | 120.0° |
| O20 | S70 | C38 | C37 | 164.5° | 30.1° |
| C40 | C41 | O5 | C36 | 171.7° | 180.0° |
| C40 | C41 | C36 | C37 | 3.7° | 1.1° |
| C40 | C41 | C36 | C29 | 177.7° | 178.5° |
| C41 | C40 | C39 | H16 | 173.3° | 179.5° |
| C41 | C40 | C43 | H17 | 148.9° | 1.9° |
| C41 | C40 | C43 | H18 | 30.0° | 117.2° |
| C40 | C41 | O5 | H27 | 180.0° | 90.0° |
| O6 | C55 | C54 | C53 | 176.3° | 179.6° |
| O6 | C55 | C54 | C72 | 0.5° | 2.1° |
| C55 | C54 | C53 | C72 | 176.8° | 178.3° |
| C55 | C54 | C72 | C46 | 88.2° | 118.7° |
| C55 | C54 | C53 | H22 | 178.7° | 180.0° |
| C54 | C55 | O6 | H28 | 0.6° | 90.1° |
| C55 | C54 | C72 | H29 | 32.2° | 120.8° |
| C55 | C54 | C72 | H30 | 151.4° | 1.8° |
| C53 | C54 | C72 | C46 | 95.0° | 62.9° |
| C53 | C54 | C72 | H29 | 144.6° | 57.6° |
| C53 | C54 | C72 | H30 | 25.4° | 176.5° |
| C54 | C72 | C46 | H29 | 120.4° | 120.5° |
| C54 | C72 | C46 | H30 | 120.4° | 120.6° |
| C54 | C72 | C46 | C45 | 89.1° | 118.7° |
| C54 | C72 | C46 | C47 | 100.6° | 62.8° |
| C72 | C54 | C53 | H22 | 1.9° | 1.6° |
| C54 | C72 | H29 | H30 | 118.7° | 119.0° |
| S70 | C38 | C37 | C36 | 174.9° | 179.9° |
| S70 | C38 | C37 | H13 | 5.1° | 0.0° |
| S70 | C38 | C39 | H16 | 1.5° | 0.1° |
| O21 | S70 | C38 | C37 | 42.1° | 90.0° |
| C38 | C37 | C36 | C41 | 0.4° | 0.6° |
| C38 | C37 | C36 | H13 | 180.0° | 180.0° |
| C38 | C37 | C36 | C29 | 178.1° | 178.9° |
| C37 | C38 | C39 | H16 | 177.3° | 180.0° |
| O5 | C41 | C36 | C37 | 175.4° | 178.9° |
| O5 | C41 | C36 | C29 | 6.0° | 1.5° |
| C41 | C36 | C37 | C29 | 178.5° | 179.6° |
| C41 | C36 | C29 | C20 | 177.6° | 115.9° |
| C41 | C36 | C37 | H13 | 179.6° | 179.4° |
| C41 | C36 | C29 | H14 | 61.4° | 4.6° |
| C41 | C36 | C29 | H15 | 56.5° | 123.5° |
| C36 | C41 | O5 | H27 | 8.4° | 90.0° |
| C72 | C46 | C45 | C47 | 170.4° | 178.5° |
| C72 | C46 | C45 | O1 | 4.0° | 2.4° |
| C72 | C46 | C45 | C44 | 179.6° | 177.7° |
| C72 | C46 | C47 | C48 | 179.9° | 177.9° |
| C72 | C46 | C47 | H19 | 0.2° | 2.0° |
| C46 | C72 | H29 | H30 | 118.7° | 119.0° |
| C37 | C36 | C29 | C20 | 3.9° | 64.5° |
| C37 | C36 | C29 | H14 | 117.1° | 174.9° |
| C37 | C36 | C29 | H15 | 125.0° | 56.0° |
| C36 | C29 | C20 | H14 | 121.1° | 120.6° |
| C36 | C29 | C20 | H15 | 121.1° | 120.5° |
| C36 | C29 | C20 | C19 | 110.1° | 63.4° |
| C36 | C29 | C20 | C21 | 79.9° | 118.1° |
| C29 | C36 | C37 | H13 | 1.9° | 1.0° |
| C36 | C29 | H14 | H15 | 116.7° | 118.9° |
| C29 | C20 | C19 | C21 | 169.8° | 178.5° |
| C29 | C20 | C19 | C18 | 176.3° | 178.2° |
| C29 | C20 | C21 | O4 | 10.4° | 2.1° |
| C29 | C20 | C21 | C16 | 172.7° | 177.8° |
| C29 | C20 | C19 | H12 | 3.8° | 1.8° |
| C20 | C29 | H14 | H15 | 116.6° | 118.9° |
| C46 | C45 | O1 | C44 | 176.5° | 180.0° |
| C45 | C46 | C47 | C48 | 9.4° | 0.5° |
| C46 | C45 | C44 | C14 | 176.7° | 178.7° |
| C46 | C45 | C44 | C49 | 9.0° | 0.6° |
| C45 | C46 | C47 | H19 | 170.6° | 179.5° |
| C46 | C45 | O1 | H23 | 180.0° | 90.0° |
| C45 | C46 | C72 | H29 | 31.4° | 120.8° |
| C45 | C46 | C72 | H30 | 150.5° | 1.8° |
| C47 | C46 | C45 | O1 | 174.4° | 179.1° |
| C47 | C46 | C45 | C44 | 9.3° | 0.8° |
| C46 | C47 | C48 | H19 | 180.0° | 179.9° |
| C46 | C47 | C48 | C49 | 9.2° | 0.1° |
| C46 | C47 | C48 | S64 | 178.9° | 179.9° |
| C47 | C46 | C72 | H29 | 139.0° | 57.7° |
| C47 | C46 | C72 | H30 | 19.9° | 176.6° |
| O1 | C45 | C44 | C14 | 0.2° | 1.4° |
| O1 | C45 | C44 | C49 | 174.4° | 179.3° |
| O17 | S69 | C18 | C19 | 56.7° | 30.0° |
| O17 | S69 | O16 | C18 | 115.3° | 116.6° |
| O17 | S69 | O16 | O18 | 124.3° | 127.0° |
| O17 | S69 | C18 | O18 | 125.0° | 120.0° |
| O17 | S69 | C18 | C17 | 129.3° | 150.1° |
| C45 | C44 | C14 | C49 | 174.1° | 179.3° |
| C45 | C44 | C49 | C48 | 8.8° | 0.2° |
| C45 | C44 | C14 | C12 | 178.5° | 125.5° |
| C45 | C44 | C14 | H7 | 57.6° | 113.9° |
| C45 | C44 | C14 | H8 | 60.6° | 5.0° |
| C45 | C44 | C49 | H20 | 171.2° | 179.7° |
| C44 | C45 | O1 | H23 | 3.6° | 90.0° |
| C20 | C19 | C18 | H12 | 180.0° | 180.0° |
| C20 | C19 | C18 | S69 | 179.9° | 179.9° |
| C20 | C19 | C18 | C17 | 6.0° | 0.0° |
| C19 | C20 | C21 | O4 | 179.5° | 179.4° |
| C19 | C20 | C21 | C16 | 2.6° | 0.6° |
| C19 | C20 | C29 | H14 | 10.9° | 176.0° |
| C19 | C20 | C29 | H15 | 128.8° | 57.1° |
| C18 | C19 | C20 | C21 | 6.5° | 0.3° |
| C19 | C18 | S69 | O16 | 58.7° | 150.0° |
| C19 | C18 | S69 | C17 | 174.0° | 180.0° |
| C19 | C18 | S69 | O18 | 178.3° | 90.0° |
| C19 | C18 | C17 | C16 | 1.5° | 0.2° |
| C19 | C18 | C17 | H11 | 178.5° | 179.9° |
| C47 | C48 | C49 | C44 | 8.8° | 0.1° |
| C47 | C48 | C49 | S64 | 169.7° | 180.0° |
| C47 | C48 | S64 | O9 | 26.7° | 150.1° |
| C47 | C48 | S64 | O7 | 96.0° | 30.0° |
| C47 | C48 | S64 | O8 | 146.8° | 90.0° |
| C47 | C48 | C49 | H20 | 171.3° | 180.0° |
| C20 | C21 | O4 | C16 | 176.9° | 179.9° |
| C20 | C21 | C16 | C17 | 1.9° | 0.8° |
| C20 | C21 | C16 | C15 | 165.9° | 178.8° |
| C21 | C20 | C19 | H12 | 173.5° | 179.8° |
| C21 | C20 | C29 | H14 | 159.0° | 2.4° |
| C21 | C20 | C29 | H15 | 41.2° | 121.3° |
| C20 | C21 | O4 | H26 | 180.0° | 90.0° |
| O16 | S69 | C18 | O18 | 119.6° | 119.9° |
| O16 | S69 | C18 | C17 | 115.3° | 30.0° |
| S69 | C18 | C17 | C16 | 175.6° | 179.8° |
| S69 | C18 | C17 | H11 | 4.4° | 0.2° |
| S69 | C18 | C19 | H12 | 0.1° | 0.0° |
| O18 | S69 | C18 | C17 | 4.3° | 89.9° |
| C18 | C17 | C16 | C21 | 2.4° | 0.6° |
| C18 | C17 | C16 | H11 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 167.5° | 179.0° |
| C17 | C18 | C19 | H12 | 174.0° | 180.0° |
| O4 | C21 | C16 | C17 | 174.8° | 179.3° |
| O4 | C21 | C16 | C15 | 10.9° | 1.2° |
| C21 | C16 | C17 | C15 | 165.0° | 179.5° |
| C21 | C16 | C15 | C4 | 89.4° | 125.7° |
| C21 | C16 | C15 | H9 | 31.5° | 5.2° |
| C21 | C16 | C15 | H10 | 149.8° | 113.7° |
| C21 | C16 | C17 | H11 | 177.5° | 179.5° |
| C16 | C21 | O4 | H26 | 3.1° | 90.0° |
| C14 | C44 | C49 | C48 | 177.3° | 179.1° |
| C44 | C14 | C12 | H7 | 120.9° | 120.6° |
| C44 | C14 | C12 | H8 | 120.9° | 120.4° |
| C44 | C14 | C12 | C13 | 89.8° | 125.0° |
| C44 | C14 | C12 | C11 | 100.2° | 56.4° |
| C44 | C14 | H7 | H8 | 117.2° | 118.9° |
| C14 | C44 | C49 | H20 | 2.7° | 1.0° |
| C44 | C49 | C48 | H20 | 180.0° | 179.9° |
| C44 | C49 | C48 | S64 | 178.4° | 179.9° |
| C49 | C44 | C14 | C12 | 7.4° | 55.2° |
| C49 | C44 | C14 | H7 | 128.3° | 65.4° |
| C49 | C44 | C14 | H8 | 113.4° | 175.7° |
| C49 | C48 | S64 | O9 | 163.8° | 29.9° |
| C49 | C48 | S64 | O7 | 73.5° | 150.0° |
| C49 | C48 | S64 | O8 | 43.7° | 90.0° |
| C49 | C48 | C47 | H19 | 170.8° | 180.0° |
| C48 | S64 | O9 | O7 | 118.9° | 116.6° |
| C48 | S64 | O9 | O8 | 120.3° | 116.5° |
| C48 | S64 | O7 | O8 | 118.1° | 116.5° |
| S64 | C48 | C47 | H19 | 1.1° | 0.0° |
| S64 | C48 | C49 | H20 | 1.6° | 0.0° |
| O9 | S64 | O7 | O8 | 121.4° | 126.9° |
| C14 | C12 | C13 | O2 | 15.9° | 2.0° |
| C14 | C12 | C13 | C11 | 170.1° | 178.6° |
| C14 | C12 | C13 | C8 | 176.9° | 178.1° |
| C14 | C12 | C11 | C10 | 177.9° | 178.1° |
| C14 | C12 | C11 | H6 | 2.1° | 1.9° |
| C12 | C14 | H7 | H8 | 117.2° | 119.0° |
| C17 | C16 | C15 | C4 | 106.6° | 54.7° |
| C17 | C16 | C15 | H9 | 132.6° | 175.3° |
| C17 | C16 | C15 | H10 | 14.3° | 65.8° |
| C16 | C15 | C4 | H9 | 120.9° | 120.6° |
| C16 | C15 | C4 | H10 | 120.8° | 120.5° |
| C16 | C15 | C4 | C3 | 84.8° | 127.6° |
| C16 | C15 | C4 | C5 | 106.0° | 53.5° |
| C16 | C15 | H9 | H10 | 117.3° | 118.8° |
| C15 | C16 | C17 | H11 | 12.5° | 1.0° |
| O2 | C13 | C12 | C8 | 167.2° | 180.0° |
| O2 | C13 | C12 | C11 | 174.0° | 179.4° |
| O2 | C13 | C8 | C7 | 8.0° | 0.9° |
| O2 | C13 | C8 | C9 | 171.6° | 179.5° |
| C15 | C4 | C3 | O3 | 1.6° | 1.6° |
| C15 | C4 | C3 | C5 | 169.5° | 178.9° |
| C15 | C4 | C3 | C2 | 173.1° | 178.5° |
| C15 | C4 | C5 | C6 | 171.5° | 178.3° |
| C15 | C4 | C5 | H2 | 8.6° | 1.7° |
| C4 | C15 | H9 | H10 | 117.3° | 118.9° |
| C13 | C12 | C11 | C10 | 7.8° | 0.5° |
| C12 | C13 | C8 | C7 | 174.8° | 179.2° |
| C12 | C13 | C8 | C9 | 4.8° | 0.4° |
| C13 | C12 | C11 | H6 | 172.1° | 179.5° |
| C13 | C12 | C14 | H7 | 31.1° | 114.5° |
| C13 | C12 | C14 | H8 | 149.3° | 4.5° |
| C12 | C13 | O2 | H24 | 180.0° | 90.1° |
| C11 | C12 | C13 | C8 | 6.8° | 0.6° |
| C12 | C11 | C10 | H6 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 6.8° | 0.3° |
| C12 | C11 | C10 | S67 | 173.1° | 179.8° |
| C11 | C12 | C14 | H7 | 138.9° | 64.2° |
| C11 | C12 | C14 | H8 | 20.6° | 176.8° |
| O3 | C3 | C4 | C2 | 174.7° | 179.9° |
| O3 | C3 | C4 | C5 | 171.1° | 179.4° |
| O3 | C3 | C2 | C7 | 2.4° | 1.1° |
| O3 | C3 | C2 | C1 | 172.6° | 179.9° |
| C13 | C8 | C7 | C9 | 179.7° | 179.6° |
| C13 | C8 | C9 | C10 | 3.7° | 0.2° |
| C13 | C8 | C7 | C2 | 83.0° | 114.1° |
| C13 | C8 | C7 | H3 | 156.6° | 125.3° |
| C13 | C8 | C7 | H4 | 37.4° | 6.2° |
| C13 | C8 | C9 | H5 | 176.3° | 179.9° |
| C8 | C13 | O2 | H24 | 12.9° | 90.0° |
| C11 | C10 | C9 | C8 | 4.6° | 0.2° |
| C11 | C10 | C9 | S67 | 179.9° | 179.9° |
| C11 | C10 | S67 | O10 | 16.7° | 30.0° |
| C11 | C10 | S67 | O11 | 104.3° | 149.9° |
| C11 | C10 | S67 | O12 | 137.4° | 90.0° |
| C11 | C10 | C9 | H5 | 175.4° | 179.9° |
| C4 | C3 | C2 | C7 | 172.2° | 179.0° |
| C4 | C3 | C2 | C1 | 2.0° | 0.0° |
| C3 | C4 | C5 | C6 | 2.1° | 0.6° |
| C3 | C4 | C5 | H2 | 177.9° | 179.4° |
| C3 | C4 | C15 | H9 | 36.0° | 7.0° |
| C3 | C4 | C15 | H10 | 154.3° | 111.9° |
| C4 | C3 | O3 | H25 | 180.0° | 90.1° |
| C5 | C4 | C3 | C2 | 3.7° | 0.5° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 1.0° | 0.2° |
| C4 | C5 | C6 | S68 | 178.3° | 179.4° |
| C5 | C4 | C15 | H9 | 133.2° | 174.1° |
| C5 | C4 | C15 | H10 | 14.9° | 67.0° |
| C3 | C2 | C7 | C8 | 87.3° | 116.6° |
| C3 | C2 | C7 | C1 | 170.2° | 179.0° |
| C3 | C2 | C1 | C6 | 1.3° | 0.4° |
| C3 | C2 | C1 | H1 | 178.7° | 179.4° |
| C3 | C2 | C7 | H3 | 152.3° | 122.9° |
| C3 | C2 | C7 | H4 | 33.1° | 3.7° |
| C2 | C3 | O3 | H25 | 5.2° | 90.0° |
| C7 | C8 | C9 | C10 | 176.0° | 179.4° |
| C8 | C7 | C2 | H3 | 120.4° | 120.5° |
| C8 | C7 | C2 | H4 | 120.4° | 120.3° |
| C8 | C7 | C2 | C1 | 102.5° | 64.4° |
| C8 | C7 | H3 | H4 | 118.8° | 119.1° |
| C7 | C8 | C9 | H5 | 4.0° | 0.6° |
| C8 | C9 | C10 | H5 | 180.0° | 179.9° |
| C8 | C9 | C10 | S67 | 175.3° | 179.9° |
| C9 | C8 | C7 | C2 | 97.4° | 66.3° |
| C9 | C8 | C7 | H3 | 23.1° | 54.2° |
| C9 | C8 | C7 | H4 | 142.2° | 173.4° |
| C9 | C10 | S67 | O10 | 163.4° | 149.9° |
| C9 | C10 | S67 | O11 | 75.6° | 30.0° |
| C9 | C10 | S67 | O12 | 42.7° | 90.0° |
| C9 | C10 | C11 | H6 | 173.2° | 179.7° |
| C10 | S67 | O10 | O11 | 120.4° | 116.5° |
| C10 | S67 | O10 | O12 | 121.7° | 116.6° |
| C10 | S67 | O11 | O12 | 120.3° | 116.6° |
| S67 | C10 | C9 | H5 | 4.7° | 0.0° |
| S67 | C10 | C11 | H6 | 6.9° | 0.2° |
| C7 | C2 | C1 | C6 | 169.2° | 179.3° |
| C7 | C2 | C1 | H1 | 10.8° | 0.5° |
| C2 | C7 | H3 | H4 | 118.8° | 119.2° |
| C2 | C1 | C6 | C5 | 2.7° | 0.3° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | S68 | 176.6° | 179.9° |
| C1 | C2 | C7 | H3 | 17.9° | 56.1° |
| C1 | C2 | C7 | H4 | 137.1° | 175.3° |
| C5 | C6 | C1 | S68 | 179.4° | 179.7° |
| C5 | C6 | S68 | O15 | 12.8° | 29.7° |
| C5 | C6 | S68 | O13 | 103.4° | 149.7° |
| C5 | C6 | S68 | O14 | 134.3° | 90.3° |
| C5 | C6 | C1 | H1 | 177.2° | 179.6° |
| O10 | S67 | O11 | O12 | 118.8° | 126.9° |
| C1 | C6 | S68 | O15 | 166.5° | 150.0° |
| C1 | C6 | S68 | O13 | 77.3° | 29.9° |
| C1 | C6 | S68 | O14 | 45.0° | 90.0° |
| C1 | C6 | C5 | H2 | 179.0° | 179.8° |
| C6 | S68 | O15 | O13 | 117.6° | 116.6° |
| C6 | S68 | O15 | O14 | 122.9° | 116.5° |
| C6 | S68 | O13 | O14 | 123.6° | 116.5° |
| S68 | C6 | C1 | H1 | 3.4° | 0.1° |
| S68 | C6 | C5 | H2 | 1.7° | 0.6° |
| O15 | S68 | O13 | O14 | 119.5° | 126.9° |
