Obsolete: FWT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | S65 | doub | 1.45Å | 1.48Å | |
| O13 | S65 | doub | 1.45Å | 1.47Å | |
| S65 | O14 | sing | 1.45Å | 1.47Å | |
| S65 | C34 | sing | 1.76Å | 1.62Å | |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| O17 | S66 | doub | 1.46Å | 1.48Å | |
| C35 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| O15 | S66 | doub | 1.45Å | 1.49Å | |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| S66 | C26 | sing | 1.76Å | 1.63Å | |
| S66 | O16 | sing | 1.45Å | 1.48Å | |
| C28 | C30 | sing | 1.50Å | 1.51Å | |
| C28 | C24 | sing | 1.50Å | 1.52Å | |
| C30 | C31 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.38Å | Aromatic |
| C32 | C42 | sing | 1.50Å | 1.53Å | |
| C31 | O2 | sing | 1.36Å | 1.36Å | |
| O9 | S64 | doub | 1.45Å | 1.47Å | |
| C27 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | O3 | sing | 1.36Å | 1.36Å | |
| C42 | C44 | sing | 1.50Å | 1.52Å | |
| C22 | C14 | sing | 1.50Å | 1.52Å | |
| C49 | C44 | doub | 1.38Å | 1.40Å | Aromatic |
| C49 | C48 | sing | 1.39Å | 1.41Å | Aromatic |
| C44 | C45 | sing | 1.39Å | 1.40Å | Aromatic |
| S64 | C48 | sing | 1.76Å | 1.63Å | |
| S64 | O11 | doub | 1.46Å | 1.48Å | |
| S64 | O10 | sing | 1.46Å | 1.47Å | |
| C48 | C47 | doub | 1.39Å | 1.40Å | Aromatic |
| O30 | S71 | doub | 1.45Å | 1.48Å | |
| C45 | O1 | sing | 1.36Å | 1.36Å | |
| C45 | C46 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C12 | sing | 1.50Å | 1.52Å | |
| C47 | C46 | sing | 1.39Å | 1.41Å | Aromatic |
| C46 | C72 | sing | 1.49Å | 1.52Å | |
| O4 | C13 | sing | 1.36Å | 1.37Å | |
| S71 | O31 | doub | 1.46Å | 1.48Å | |
| S71 | O32 | sing | 1.45Å | 1.48Å | |
| S71 | C52 | sing | 1.76Å | 1.62Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C53 | C52 | doub | 1.39Å | 1.40Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.39Å | Aromatic |
| C72 | C54 | sing | 1.50Å | 1.51Å | |
| C13 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C52 | C51 | sing | 1.38Å | 1.40Å | Aromatic |
| C54 | C55 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.50Å | 1.51Å | |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| O19 | S67 | doub | 1.45Å | 1.48Å | |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | S67 | sing | 1.76Å | 1.61Å | |
| C51 | C50 | doub | 1.38Å | 1.39Å | Aromatic |
| C55 | C50 | sing | 1.39Å | 1.40Å | Aromatic |
| C55 | O8 | sing | 1.36Å | 1.35Å | |
| C7 | C2 | sing | 1.50Å | 1.52Å | |
| S67 | O20 | doub | 1.46Å | 1.49Å | |
| S67 | O18 | sing | 1.45Å | 1.48Å | |
| C50 | C43 | sing | 1.49Å | 1.52Å | |
| C2 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| O21 | S68 | doub | 1.46Å | 1.47Å | |
| C43 | C40 | sing | 1.49Å | 1.51Å | |
| O5 | C3 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | S68 | sing | 1.76Å | 1.63Å | |
| C6 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| S68 | O22 | doub | 1.46Å | 1.48Å | |
| S68 | O23 | sing | 1.46Å | 1.47Å | |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C15 | sing | 1.50Å | 1.53Å | |
| O7 | C41 | sing | 1.36Å | 1.37Å | |
| C40 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C41 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.50Å | 1.53Å | |
| O6 | C21 | sing | 1.36Å | 1.36Å | |
| C39 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C41 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| O29 | S70 | doub | 1.46Å | 1.48Å | |
| C38 | C37 | doub | 1.38Å | 1.41Å | Aromatic |
| C38 | S70 | sing | 1.76Å | 1.64Å | |
| C36 | C37 | sing | 1.38Å | 1.41Å | Aromatic |
| C36 | C29 | sing | 1.49Å | 1.53Å | |
| S70 | O28 | doub | 1.45Å | 1.49Å | |
| S70 | O27 | sing | 1.45Å | 1.48Å | |
| C20 | C29 | sing | 1.50Å | 1.52Å | |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | S69 | sing | 1.76Å | 1.63Å | |
| O26 | S69 | doub | 1.45Å | 1.48Å | |
| S69 | O24 | doub | 1.45Å | 1.47Å | |
| S69 | O25 | sing | 1.46Å | 1.48Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.08Å | 1.08Å | |
| C35 | H20 | sing | 1.08Å | 1.08Å | |
| C37 | H21 | sing | 1.08Å | 1.08Å | |
| C39 | H22 | sing | 1.08Å | 1.08Å | |
| C42 | H23 | sing | 1.09Å | 1.10Å | |
| C42 | H24 | sing | 1.09Å | 1.10Å | |
| C43 | H25 | sing | 1.09Å | 1.10Å | |
| C43 | H26 | sing | 1.09Å | 1.10Å | |
| C47 | H27 | sing | 1.08Å | 1.08Å | |
| C49 | H28 | sing | 1.08Å | 1.08Å | |
| C51 | H29 | sing | 1.08Å | 1.08Å | |
| C53 | H30 | sing | 1.08Å | 1.08Å | |
| O1 | H31 | sing | 0.97Å | 0.95Å | |
| O2 | H32 | sing | 0.97Å | 0.95Å | |
| O3 | H33 | sing | 0.97Å | 0.95Å | |
| O4 | H34 | sing | 0.97Å | 0.95Å | |
| O5 | H35 | sing | 0.97Å | 0.95Å | |
| O6 | H36 | sing | 0.97Å | 0.95Å | |
| O7 | H37 | sing | 0.97Å | 0.95Å | |
| O8 | H38 | sing | 0.97Å | 0.95Å | |
| C72 | H39 | sing | 1.09Å | 1.10Å | |
| C72 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | S65 | O13 | 110.1° | 112.0° |
| O12 | S65 | O14 | 106.9° | 112.1° |
| O12 | S65 | C34 | 110.7° | 106.8° |
| O13 | S65 | O14 | 109.2° | 112.0° |
| O13 | S65 | C34 | 107.8° | 106.8° |
| O14 | S65 | C34 | 112.0° | 106.8° |
| S65 | C34 | C35 | 120.4° | 120.2° |
| S65 | C34 | C33 | 120.1° | 120.2° |
| C35 | C34 | C33 | 119.2° | 119.6° |
| C34 | C35 | C30 | 121.0° | 120.5° |
| C34 | C35 | H20 | 119.5° | 119.8° |
| C34 | C33 | C32 | 119.7° | 120.5° |
| C34 | C33 | H19 | 120.2° | 119.7° |
| O17 | S66 | O15 | 110.5° | 112.0° |
| O17 | S66 | C26 | 106.6° | 106.7° |
| O17 | S66 | O16 | 110.9° | 112.0° |
| C35 | C30 | C28 | 118.4° | 119.5° |
| C35 | C30 | C31 | 118.6° | 119.7° |
| C30 | C35 | H20 | 119.5° | 119.7° |
| O15 | S66 | C26 | 108.9° | 106.8° |
| O15 | S66 | O16 | 107.2° | 112.1° |
| C33 | C32 | C31 | 120.6° | 119.8° |
| C33 | C32 | C42 | 121.0° | 119.9° |
| C32 | C33 | H19 | 120.2° | 119.8° |
| C26 | S66 | O16 | 112.8° | 106.8° |
| S66 | C26 | C25 | 122.2° | 119.8° |
| S66 | C26 | C27 | 119.0° | 119.9° |
| C30 | C28 | C24 | 118.3° | 114.5° |
| C28 | C30 | C31 | 122.2° | 120.8° |
| C30 | C28 | H15 | 107.2° | 108.5° |
| C30 | C28 | H16 | 107.2° | 108.5° |
| C28 | C24 | C25 | 119.9° | 122.2° |
| C28 | C24 | C23 | 120.5° | 117.6° |
| C24 | C28 | H15 | 107.2° | 108.4° |
| C24 | C28 | H16 | 107.2° | 108.5° |
| C30 | C31 | C32 | 120.4° | 119.9° |
| C30 | C31 | O2 | 120.9° | 120.0° |
| C26 | C25 | C24 | 122.2° | 119.8° |
| C25 | C26 | C27 | 118.6° | 120.3° |
| C26 | C25 | H13 | 118.9° | 120.1° |
| C25 | C24 | C23 | 117.3° | 120.0° |
| C24 | C25 | H13 | 118.9° | 120.1° |
| C26 | C27 | C22 | 120.1° | 120.0° |
| C26 | C27 | H14 | 120.0° | 120.0° |
| C24 | C23 | C22 | 120.7° | 119.8° |
| C24 | C23 | O3 | 122.4° | 120.1° |
| C31 | C32 | C42 | 118.3° | 120.3° |
| C32 | C31 | O2 | 118.7° | 120.1° |
| C32 | C42 | C44 | 112.4° | 114.1° |
| C32 | C42 | H23 | 108.7° | 108.6° |
| C32 | C42 | H24 | 108.7° | 108.5° |
| C31 | O2 | H32 | 109.5° | 114.0° |
| O9 | S64 | C48 | 108.4° | 106.8° |
| O9 | S64 | O11 | 109.7° | 112.1° |
| O9 | S64 | O10 | 111.6° | 112.0° |
| C27 | C22 | C23 | 120.8° | 119.8° |
| C27 | C22 | C14 | 119.2° | 119.9° |
| C22 | C27 | H14 | 120.0° | 120.0° |
| C22 | C23 | O3 | 116.9° | 120.1° |
| C23 | C22 | C14 | 119.6° | 120.3° |
| C23 | O3 | H33 | 109.5° | 114.0° |
| C42 | C44 | C49 | 119.7° | 121.2° |
| C42 | C44 | C45 | 120.3° | 118.7° |
| C44 | C42 | H23 | 108.7° | 108.5° |
| C44 | C42 | H24 | 108.7° | 108.6° |
| C22 | C14 | C12 | 113.4° | 115.9° |
| C22 | C14 | H2 | 108.5° | 108.2° |
| C22 | C14 | H3 | 108.5° | 108.1° |
| C44 | C49 | C48 | 121.2° | 120.2° |
| C49 | C44 | C45 | 119.9° | 120.1° |
| C44 | C49 | H28 | 119.4° | 119.9° |
| C49 | C48 | S64 | 120.5° | 120.2° |
| C49 | C48 | C47 | 118.0° | 119.7° |
| C48 | C49 | H28 | 119.4° | 119.9° |
| C44 | C45 | O1 | 122.9° | 120.0° |
| C44 | C45 | C46 | 119.7° | 120.0° |
| C48 | S64 | O11 | 106.9° | 106.8° |
| C48 | S64 | O10 | 108.8° | 106.7° |
| S64 | C48 | C47 | 121.5° | 120.2° |
| O11 | S64 | O10 | 111.4° | 112.0° |
| C48 | C47 | C46 | 120.9° | 120.4° |
| C48 | C47 | H27 | 119.6° | 119.8° |
| O30 | S71 | O31 | 107.8° | 112.0° |
| O30 | S71 | O32 | 108.8° | 112.1° |
| O30 | S71 | C52 | 109.8° | 106.8° |
| O1 | C45 | C46 | 117.1° | 120.0° |
| C45 | O1 | H31 | 109.5° | 114.0° |
| C45 | C46 | C47 | 119.7° | 119.4° |
| C45 | C46 | C72 | 115.6° | 121.2° |
| C14 | C12 | C13 | 121.8° | 119.2° |
| C14 | C12 | C11 | 118.7° | 120.5° |
| C12 | C14 | H2 | 108.5° | 108.2° |
| C12 | C14 | H3 | 108.5° | 108.2° |
| C47 | C46 | C72 | 124.0° | 119.3° |
| C46 | C47 | H27 | 119.5° | 119.8° |
| C46 | C72 | C54 | 108.9° | 116.7° |
| C46 | C72 | H39 | 109.6° | 108.0° |
| C46 | C72 | H40 | 109.6° | 108.0° |
| O4 | C13 | C12 | 123.0° | 120.0° |
| O4 | C13 | C8 | 119.0° | 119.9° |
| C13 | O4 | H34 | 109.5° | 114.1° |
| O31 | S71 | O32 | 112.6° | 112.1° |
| O31 | S71 | C52 | 109.3° | 106.8° |
| O32 | S71 | C52 | 108.5° | 106.8° |
| S71 | C52 | C53 | 119.5° | 119.7° |
| S71 | C52 | C51 | 122.1° | 119.7° |
| C13 | C12 | C11 | 119.3° | 119.9° |
| C12 | C13 | C8 | 117.9° | 120.1° |
| C12 | C11 | C10 | 122.6° | 119.7° |
| C12 | C11 | H1 | 118.7° | 120.2° |
| C52 | C53 | C54 | 119.3° | 119.5° |
| C53 | C52 | C51 | 118.4° | 120.6° |
| C52 | C53 | H30 | 120.3° | 120.2° |
| C53 | C54 | C72 | 119.5° | 122.5° |
| C53 | C54 | C55 | 121.8° | 120.1° |
| C54 | C53 | H30 | 120.3° | 120.3° |
| C72 | C54 | C55 | 118.4° | 117.2° |
| C54 | C72 | H39 | 109.6° | 108.0° |
| C54 | C72 | H40 | 109.6° | 108.0° |
| C13 | C8 | C7 | 117.9° | 119.7° |
| C13 | C8 | C9 | 122.4° | 119.6° |
| C11 | C10 | C9 | 118.2° | 120.5° |
| C11 | C10 | S67 | 120.1° | 119.7° |
| C10 | C11 | H1 | 118.7° | 120.2° |
| C52 | C51 | C50 | 121.9° | 119.6° |
| C52 | C51 | H29 | 119.0° | 120.2° |
| C54 | C55 | C50 | 119.0° | 120.0° |
| C54 | C55 | O8 | 118.6° | 120.0° |
| C7 | C8 | C9 | 119.3° | 120.6° |
| C8 | C7 | C2 | 109.5° | 113.8° |
| C8 | C7 | H10 | 109.5° | 108.6° |
| C8 | C7 | H11 | 109.5° | 108.6° |
| C8 | C9 | C10 | 119.3° | 119.9° |
| C8 | C9 | H12 | 120.3° | 120.0° |
| O19 | S67 | C10 | 109.2° | 106.8° |
| O19 | S67 | O20 | 110.7° | 112.0° |
| O19 | S67 | O18 | 107.4° | 112.1° |
| C9 | C10 | S67 | 121.7° | 119.7° |
| C10 | C9 | H12 | 120.4° | 120.0° |
| C10 | S67 | O20 | 107.0° | 106.8° |
| C10 | S67 | O18 | 113.7° | 106.7° |
| C51 | C50 | C55 | 119.2° | 119.8° |
| C51 | C50 | C43 | 120.4° | 121.0° |
| C50 | C51 | H29 | 119.0° | 120.2° |
| C50 | C55 | O8 | 122.1° | 120.0° |
| C55 | C50 | C43 | 120.3° | 119.2° |
| C55 | O8 | H38 | 109.5° | 114.0° |
| C7 | C2 | C1 | 122.9° | 120.3° |
| C7 | C2 | C3 | 117.4° | 119.5° |
| C2 | C7 | H10 | 109.5° | 108.6° |
| C2 | C7 | H11 | 109.5° | 108.6° |
| O20 | S67 | O18 | 108.8° | 112.1° |
| C50 | C43 | C40 | 112.5° | 119.4° |
| C50 | C43 | H25 | 108.7° | 107.4° |
| C50 | C43 | H26 | 108.7° | 107.4° |
| C1 | C2 | C3 | 119.7° | 119.9° |
| C2 | C1 | C6 | 120.3° | 120.2° |
| C2 | C1 | H8 | 119.8° | 119.9° |
| C2 | C3 | O5 | 117.8° | 120.2° |
| C2 | C3 | C4 | 120.6° | 119.6° |
| C1 | C6 | S68 | 121.4° | 120.1° |
| C1 | C6 | C5 | 118.7° | 119.9° |
| C6 | C1 | H8 | 119.9° | 119.9° |
| O21 | S68 | C6 | 110.9° | 106.8° |
| O21 | S68 | O22 | 111.5° | 112.1° |
| O21 | S68 | O23 | 108.1° | 112.0° |
| C43 | C40 | C39 | 119.1° | 120.5° |
| C43 | C40 | C41 | 119.6° | 119.4° |
| C40 | C43 | H25 | 108.7° | 107.5° |
| C40 | C43 | H26 | 108.7° | 107.5° |
| O5 | C3 | C4 | 121.6° | 120.2° |
| C3 | O5 | H35 | 109.5° | 114.0° |
| C3 | C4 | C5 | 119.4° | 119.9° |
| C3 | C4 | C15 | 120.6° | 118.9° |
| S68 | C6 | C5 | 119.9° | 120.1° |
| C6 | S68 | O22 | 105.0° | 106.8° |
| C6 | S68 | O23 | 108.3° | 106.8° |
| C6 | C5 | C4 | 121.1° | 120.4° |
| C6 | C5 | H9 | 119.4° | 119.8° |
| O22 | S68 | O23 | 112.9° | 112.0° |
| C5 | C4 | C15 | 119.7° | 121.2° |
| C4 | C5 | H9 | 119.5° | 119.8° |
| C4 | C15 | C16 | 112.4° | 114.9° |
| C4 | C15 | H4 | 108.7° | 108.4° |
| C4 | C15 | H5 | 108.7° | 108.4° |
| O7 | C41 | C40 | 118.0° | 120.1° |
| O7 | C41 | C36 | 122.0° | 120.0° |
| C41 | O7 | H37 | 109.5° | 114.0° |
| C39 | C40 | C41 | 121.2° | 119.5° |
| C40 | C39 | C38 | 120.4° | 119.6° |
| C40 | C39 | H22 | 119.8° | 120.2° |
| C40 | C41 | C36 | 120.0° | 119.9° |
| C15 | C16 | C21 | 119.0° | 119.6° |
| C15 | C16 | C17 | 120.9° | 120.8° |
| C16 | C15 | H4 | 108.8° | 108.4° |
| C16 | C15 | H5 | 108.7° | 108.4° |
| O6 | C21 | C16 | 119.9° | 119.9° |
| O6 | C21 | C20 | 118.8° | 119.9° |
| C21 | O6 | H36 | 109.5° | 114.0° |
| C39 | C38 | C37 | 118.8° | 120.7° |
| C39 | C38 | S70 | 119.1° | 119.6° |
| C38 | C39 | H22 | 119.8° | 120.2° |
| C41 | C36 | C37 | 118.0° | 119.9° |
| C41 | C36 | C29 | 119.2° | 118.7° |
| C16 | C21 | C20 | 120.9° | 120.2° |
| C21 | C16 | C17 | 119.7° | 119.6° |
| C21 | C20 | C29 | 121.3° | 121.0° |
| C21 | C20 | C19 | 118.1° | 119.7° |
| C16 | C17 | C18 | 120.1° | 120.7° |
| C16 | C17 | H6 | 120.0° | 119.7° |
| O29 | S70 | C38 | 111.6° | 106.7° |
| O29 | S70 | O28 | 108.7° | 112.0° |
| O29 | S70 | O27 | 110.8° | 112.0° |
| C37 | C38 | S70 | 122.0° | 119.7° |
| C38 | C37 | C36 | 121.6° | 119.6° |
| C38 | C37 | H21 | 119.2° | 120.2° |
| C38 | S70 | O28 | 107.3° | 106.8° |
| C38 | S70 | O27 | 107.9° | 106.8° |
| C37 | C36 | C29 | 121.9° | 121.2° |
| C36 | C37 | H21 | 119.2° | 120.2° |
| C36 | C29 | C20 | 119.8° | 117.1° |
| C36 | C29 | H17 | 106.8° | 107.9° |
| C36 | C29 | H18 | 106.8° | 107.8° |
| O28 | S70 | O27 | 110.6° | 112.1° |
| C29 | C20 | C19 | 119.4° | 119.3° |
| C20 | C29 | H17 | 106.8° | 108.0° |
| C20 | C29 | H18 | 106.8° | 107.9° |
| C20 | C19 | C18 | 121.9° | 120.7° |
| C20 | C19 | H7 | 119.0° | 119.7° |
| C17 | C18 | C19 | 118.7° | 119.0° |
| C17 | C18 | S69 | 121.3° | 120.5° |
| C18 | C17 | H6 | 119.9° | 119.7° |
| C19 | C18 | S69 | 119.8° | 120.5° |
| C18 | C19 | H7 | 119.0° | 119.7° |
| C18 | S69 | O26 | 110.2° | 106.8° |
| C18 | S69 | O24 | 110.6° | 106.8° |
| C18 | S69 | O25 | 110.4° | 106.8° |
| O26 | S69 | O24 | 108.4° | 112.0° |
| O26 | S69 | O25 | 107.8° | 112.0° |
| O24 | S69 | O25 | 109.4° | 112.0° |
| H2 | C14 | H3 | 109.5° | 108.0° |
| H4 | C15 | H5 | 109.5° | 108.2° |
| H10 | C7 | H11 | 109.4° | 108.4° |
| H15 | C28 | H16 | 109.5° | 108.3° |
| H17 | C29 | H18 | 109.5° | 107.7° |
| H23 | C42 | H24 | 109.5° | 108.4° |
| H25 | C43 | H26 | 109.5° | 107.1° |
| H39 | C72 | H40 | 109.5° | 107.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | S65 | O13 | O14 | 117.1° | 126.9° |
| O12 | S65 | O13 | C34 | 120.9° | 116.6° |
| O12 | S65 | O14 | C34 | 121.5° | 116.6° |
| O12 | S65 | C34 | C35 | 25.3° | 150.0° |
| O12 | S65 | C34 | C33 | 149.3° | 30.0° |
| O13 | S65 | O14 | C34 | 119.4° | 116.6° |
| O13 | S65 | C34 | C35 | 145.8° | 30.0° |
| O13 | S65 | C34 | C33 | 28.7° | 150.0° |
| O14 | S65 | C34 | C35 | 94.0° | 90.0° |
| O14 | S65 | C34 | C33 | 91.5° | 90.0° |
| S65 | C34 | C35 | C33 | 174.6° | 180.0° |
| S65 | C34 | C35 | C30 | 176.6° | 179.3° |
| S65 | C34 | C33 | C32 | 179.0° | 178.1° |
| S65 | C34 | C33 | H19 | 0.9° | 1.9° |
| S65 | C34 | C35 | H20 | 3.4° | 0.7° |
| C34 | C35 | C30 | H20 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 6.4° | 1.9° |
| C34 | C35 | C30 | C28 | 176.7° | 176.3° |
| C34 | C35 | C30 | C31 | 7.4° | 2.6° |
| C35 | C34 | C33 | H19 | 173.6° | 178.1° |
| C33 | C34 | C35 | C30 | 8.8° | 0.7° |
| C34 | C33 | C32 | H19 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 2.7° | 2.6° |
| C34 | C33 | C32 | C42 | 177.7° | 175.6° |
| C33 | C34 | C35 | H20 | 171.2° | 179.3° |
| O17 | S66 | O15 | C26 | 116.7° | 116.5° |
| O17 | S66 | O15 | O16 | 120.9° | 126.9° |
| O17 | S66 | C26 | O16 | 122.0° | 120.0° |
| O17 | S66 | C26 | C25 | 27.0° | 150.0° |
| O17 | S66 | C26 | C27 | 157.5° | 30.0° |
| C35 | C30 | C28 | C31 | 168.8° | 178.9° |
| C35 | C30 | C28 | C24 | 111.2° | 98.1° |
| C35 | C30 | C31 | C32 | 3.7° | 1.9° |
| C35 | C30 | C31 | O2 | 177.2° | 178.0° |
| C35 | C30 | C28 | H15 | 127.6° | 140.6° |
| C35 | C30 | C28 | H16 | 10.1° | 23.2° |
| O15 | S66 | C26 | O16 | 118.8° | 120.0° |
| O15 | S66 | C26 | C25 | 92.2° | 30.0° |
| O15 | S66 | C26 | C27 | 83.3° | 150.0° |
| C33 | C32 | C31 | C30 | 1.4° | 0.7° |
| C33 | C32 | C31 | C42 | 179.6° | 178.2° |
| C33 | C32 | C31 | O2 | 179.5° | 179.4° |
| C33 | C32 | C42 | C44 | 71.4° | 70.3° |
| C33 | C32 | C42 | H23 | 49.1° | 50.9° |
| C33 | C32 | C42 | H24 | 168.2° | 168.5° |
| S66 | C26 | C25 | C27 | 175.5° | 180.0° |
| S66 | C26 | C25 | C24 | 174.2° | 179.7° |
| S66 | C26 | C27 | C22 | 172.0° | 178.1° |
| S66 | C26 | C25 | H13 | 5.8° | 0.3° |
| S66 | C26 | C27 | H14 | 8.0° | 1.9° |
| O16 | S66 | C26 | C25 | 149.0° | 90.0° |
| O16 | S66 | C26 | C27 | 35.5° | 90.0° |
| C30 | C28 | C24 | H15 | 121.3° | 121.3° |
| C30 | C28 | C24 | H16 | 121.2° | 121.3° |
| C30 | C28 | C24 | C25 | 102.6° | 36.5° |
| C30 | C28 | C24 | C23 | 95.3° | 148.2° |
| C28 | C30 | C31 | C32 | 172.5° | 177.0° |
| C28 | C30 | C31 | O2 | 8.4° | 3.1° |
| C30 | C28 | H15 | H16 | 116.0° | 117.6° |
| C28 | C30 | C35 | H20 | 3.3° | 3.7° |
| C24 | C28 | C30 | C31 | 80.0° | 83.0° |
| C28 | C24 | C25 | C26 | 166.4° | 171.5° |
| C28 | C24 | C25 | C23 | 162.6° | 175.2° |
| C28 | C24 | C23 | C22 | 169.0° | 169.3° |
| C28 | C24 | C23 | O3 | 10.0° | 10.7° |
| C28 | C24 | C25 | H13 | 13.7° | 8.5° |
| C24 | C28 | H15 | H16 | 116.0° | 117.5° |
| C30 | C31 | C32 | O2 | 179.1° | 179.9° |
| C30 | C31 | C32 | C42 | 179.1° | 177.5° |
| C31 | C30 | C28 | H15 | 41.2° | 38.3° |
| C31 | C30 | C28 | H16 | 158.7° | 155.7° |
| C31 | C30 | C35 | H20 | 172.6° | 177.4° |
| C30 | C31 | O2 | H32 | 180.0° | 90.0° |
| C26 | C25 | C24 | H13 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 3.8° | 3.7° |
| C25 | C26 | C27 | C22 | 3.6° | 1.8° |
| C25 | C26 | C27 | H14 | 176.4° | 178.1° |
| C24 | C25 | C26 | C27 | 1.3° | 0.3° |
| C25 | C24 | C23 | C22 | 6.5° | 6.1° |
| C25 | C24 | C23 | O3 | 172.5° | 173.9° |
| C25 | C24 | C28 | H15 | 136.1° | 157.8° |
| C25 | C24 | C28 | H16 | 18.6° | 84.8° |
| C26 | C27 | C22 | H14 | 180.0° | 180.0° |
| C26 | C27 | C22 | C23 | 0.9° | 0.6° |
| C26 | C27 | C22 | C14 | 171.5° | 177.7° |
| C27 | C26 | C25 | H13 | 178.7° | 179.7° |
| C24 | C23 | C22 | C27 | 4.4° | 4.6° |
| C24 | C23 | C22 | O3 | 179.1° | 180.0° |
| C24 | C23 | C22 | C14 | 176.8° | 173.8° |
| C23 | C24 | C25 | H13 | 176.3° | 176.3° |
| C23 | C24 | C28 | H15 | 25.9° | 26.9° |
| C23 | C24 | C28 | H16 | 143.4° | 90.5° |
| C24 | C23 | O3 | H33 | 180.0° | 90.0° |
| C31 | C32 | C42 | C44 | 109.1° | 111.5° |
| C31 | C32 | C33 | H19 | 177.3° | 177.4° |
| C31 | C32 | C42 | H23 | 130.5° | 127.3° |
| C31 | C32 | C42 | H24 | 11.4° | 9.7° |
| C32 | C31 | O2 | H32 | 0.9° | 90.1° |
| C42 | C32 | C31 | O2 | 0.1° | 2.4° |
| C32 | C42 | C44 | H23 | 120.5° | 121.2° |
| C32 | C42 | C44 | H24 | 120.4° | 121.2° |
| C32 | C42 | C44 | C49 | 101.5° | 66.6° |
| C32 | C42 | C44 | C45 | 83.1° | 114.0° |
| C42 | C32 | C33 | H19 | 2.3° | 4.4° |
| C32 | C42 | H23 | H24 | 118.6° | 117.7° |
| O9 | S64 | C48 | C49 | 52.1° | 150.0° |
| O9 | S64 | C48 | O11 | 118.2° | 120.0° |
| O9 | S64 | C48 | O10 | 121.5° | 120.0° |
| O9 | S64 | O11 | O10 | 124.0° | 126.9° |
| O9 | S64 | C48 | C47 | 130.3° | 30.0° |
| C27 | C22 | C23 | C14 | 172.4° | 178.4° |
| C27 | C22 | C23 | O3 | 174.7° | 175.5° |
| C27 | C22 | C14 | C12 | 88.8° | 75.9° |
| C27 | C22 | C14 | H2 | 150.6° | 162.4° |
| C27 | C22 | C14 | H3 | 31.8° | 45.7° |
| C23 | C22 | C14 | C12 | 98.7° | 105.7° |
| C23 | C22 | C14 | H2 | 21.8° | 15.9° |
| C23 | C22 | C14 | H3 | 140.7° | 132.7° |
| C23 | C22 | C27 | H14 | 179.1° | 179.4° |
| C22 | C23 | O3 | H33 | 0.9° | 90.0° |
| O3 | C23 | C22 | C14 | 2.3° | 6.2° |
| C42 | C44 | C49 | C45 | 175.4° | 179.5° |
| C42 | C44 | C49 | C48 | 175.3° | 176.5° |
| C42 | C44 | C45 | O1 | 6.7° | 2.2° |
| C42 | C44 | C45 | C46 | 178.9° | 177.7° |
| C44 | C42 | H23 | H24 | 118.7° | 117.7° |
| C42 | C44 | C49 | H28 | 4.7° | 3.6° |
| C22 | C14 | C12 | H2 | 120.6° | 121.7° |
| C22 | C14 | C12 | H3 | 120.6° | 121.5° |
| C22 | C14 | C12 | C13 | 75.3° | 107.8° |
| C22 | C14 | C12 | C11 | 99.9° | 79.6° |
| C22 | C14 | H2 | H3 | 118.2° | 116.7° |
| C14 | C22 | C27 | H14 | 8.5° | 2.2° |
| C44 | C49 | C48 | H28 | 180.0° | 179.9° |
| C44 | C49 | C48 | S64 | 178.5° | 179.1° |
| C44 | C49 | C48 | C47 | 0.8° | 0.8° |
| C49 | C44 | C45 | O1 | 178.0° | 178.3° |
| C49 | C44 | C45 | C46 | 3.6° | 1.8° |
| C49 | C44 | C42 | H23 | 18.9° | 54.6° |
| C49 | C44 | C42 | H24 | 138.0° | 172.2° |
| C48 | C49 | C44 | C45 | 0.1° | 3.0° |
| C49 | C48 | S64 | C47 | 177.7° | 179.9° |
| C49 | C48 | S64 | O11 | 66.1° | 29.9° |
| C49 | C48 | S64 | O10 | 173.5° | 90.0° |
| C49 | C48 | C47 | C46 | 5.3° | 2.5° |
| C49 | C48 | C47 | H27 | 174.7° | 177.4° |
| C44 | C45 | O1 | C46 | 174.5° | 179.9° |
| C44 | C45 | C46 | C47 | 8.0° | 1.6° |
| C44 | C45 | C46 | C72 | 179.3° | 175.4° |
| C45 | C44 | C42 | H23 | 156.4° | 124.8° |
| C45 | C44 | C42 | H24 | 37.3° | 7.2° |
| C45 | C44 | C49 | H28 | 179.9° | 177.0° |
| C44 | C45 | O1 | H31 | 180.0° | 90.1° |
| C48 | S64 | O11 | O10 | 118.7° | 116.5° |
| S64 | C48 | C47 | C46 | 176.9° | 177.5° |
| S64 | C48 | C47 | H27 | 3.0° | 2.5° |
| S64 | C48 | C49 | H28 | 1.5° | 0.9° |
| O11 | S64 | C48 | C47 | 111.6° | 150.0° |
| O10 | S64 | C48 | C47 | 8.8° | 90.0° |
| C48 | C47 | C46 | C45 | 9.0° | 3.7° |
| C48 | C47 | C46 | H27 | 180.0° | 180.0° |
| C48 | C47 | C46 | C72 | 179.5° | 173.3° |
| C47 | C48 | C49 | H28 | 179.3° | 179.1° |
| O30 | S71 | O31 | O32 | 120.0° | 126.9° |
| O30 | S71 | O31 | C52 | 119.3° | 116.5° |
| O30 | S71 | O32 | C52 | 119.4° | 116.6° |
| O30 | S71 | C52 | C53 | 32.3° | 30.0° |
| O30 | S71 | C52 | C51 | 145.9° | 150.0° |
| O1 | C45 | C46 | C47 | 177.3° | 178.3° |
| O1 | C45 | C46 | C72 | 6.0° | 4.7° |
| C45 | C46 | C47 | C72 | 170.4° | 177.0° |
| C45 | C46 | C72 | C54 | 171.1° | 81.0° |
| C45 | C46 | C47 | H27 | 171.0° | 176.3° |
| C46 | C45 | O1 | H31 | 5.5° | 90.0° |
| C45 | C46 | C72 | H39 | 69.0° | 40.8° |
| C45 | C46 | C72 | H40 | 51.2° | 157.2° |
| C14 | C12 | C13 | O4 | 2.8° | 14.0° |
| C14 | C12 | C13 | C11 | 175.2° | 172.6° |
| C14 | C12 | C13 | C8 | 178.0° | 166.1° |
| C14 | C12 | C11 | C10 | 179.3° | 168.9° |
| C14 | C12 | C11 | H1 | 0.7° | 11.4° |
| C12 | C14 | H2 | H3 | 118.2° | 116.9° |
| C47 | C46 | C72 | C54 | 18.1° | 102.1° |
| C47 | C46 | C72 | H39 | 101.8° | 136.1° |
| C47 | C46 | C72 | H40 | 138.0° | 19.7° |
| C46 | C72 | C54 | C53 | 89.7° | 45.1° |
| C46 | C72 | C54 | H39 | 119.9° | 121.8° |
| C46 | C72 | C54 | H40 | 119.9° | 121.8° |
| C46 | C72 | C54 | C55 | 83.8° | 141.0° |
| C72 | C46 | C47 | H27 | 0.5° | 6.8° |
| C46 | C72 | H39 | H40 | 120.3° | 116.5° |
| O4 | C13 | C12 | C8 | 179.2° | 180.0° |
| O4 | C13 | C12 | C11 | 178.0° | 173.4° |
| O4 | C13 | C8 | C7 | 4.7° | 7.4° |
| O4 | C13 | C8 | C9 | 176.7° | 174.5° |
| O31 | S71 | O32 | C52 | 121.1° | 116.5° |
| O31 | S71 | C52 | C53 | 150.3° | 150.0° |
| O31 | S71 | C52 | C51 | 27.9° | 30.0° |
| O32 | S71 | C52 | C53 | 86.5° | 90.0° |
| O32 | S71 | C52 | C51 | 95.3° | 90.0° |
| S71 | C52 | C53 | C51 | 178.3° | 180.0° |
| S71 | C52 | C53 | C54 | 179.9° | 179.3° |
| S71 | C52 | C51 | C50 | 176.0° | 179.3° |
| S71 | C52 | C51 | H29 | 4.0° | 0.6° |
| S71 | C52 | C53 | H30 | 0.2° | 0.7° |
| C13 | C12 | C11 | C10 | 5.3° | 3.7° |
| C12 | C13 | C8 | C7 | 174.5° | 172.6° |
| C12 | C13 | C8 | C9 | 2.5° | 5.5° |
| C13 | C12 | C11 | H1 | 174.6° | 176.1° |
| C13 | C12 | C14 | H2 | 45.2° | 13.9° |
| C13 | C12 | C14 | H3 | 164.1° | 130.7° |
| C12 | C13 | O4 | H34 | 180.0° | 89.9° |
| C11 | C12 | C13 | C8 | 2.8° | 6.6° |
| C12 | C11 | C10 | H1 | 180.0° | 179.7° |
| C12 | C11 | C10 | C9 | 2.4° | 0.3° |
| C12 | C11 | C10 | S67 | 177.5° | 179.4° |
| C11 | C12 | C14 | H2 | 139.5° | 158.7° |
| C11 | C12 | C14 | H3 | 20.7° | 41.9° |
| C52 | C53 | C54 | H30 | 180.0° | 180.0° |
| C52 | C53 | C54 | C72 | 179.4° | 171.0° |
| C52 | C53 | C54 | C55 | 6.1° | 2.8° |
| C53 | C52 | C51 | C50 | 2.2° | 0.7° |
| C53 | C52 | C51 | H29 | 177.8° | 179.3° |
| C53 | C54 | C72 | C55 | 173.5° | 174.0° |
| C54 | C53 | C52 | C51 | 1.6° | 0.7° |
| C53 | C54 | C55 | C50 | 6.7° | 6.4° |
| C53 | C54 | C55 | O8 | 179.6° | 173.6° |
| C53 | C54 | C72 | H39 | 150.4° | 166.9° |
| C53 | C54 | C72 | H40 | 30.2° | 76.8° |
| C72 | C54 | C55 | C50 | 179.9° | 167.8° |
| C72 | C54 | C55 | O8 | 6.2° | 12.2° |
| C72 | C54 | C53 | H30 | 0.6° | 9.0° |
| C54 | C72 | H39 | H40 | 120.3° | 116.5° |
| C13 | C8 | C7 | C9 | 172.2° | 178.0° |
| C13 | C8 | C9 | C10 | 5.4° | 1.5° |
| C13 | C8 | C7 | C2 | 80.8° | 144.5° |
| C13 | C8 | C7 | H10 | 159.1° | 23.3° |
| C13 | C8 | C7 | H11 | 39.2° | 94.4° |
| C13 | C8 | C9 | H12 | 174.5° | 178.5° |
| C8 | C13 | O4 | H34 | 0.8° | 90.0° |
| C11 | C10 | C9 | C8 | 2.9° | 1.4° |
| C11 | C10 | S67 | O19 | 80.6° | 150.0° |
| C11 | C10 | C9 | S67 | 179.9° | 179.7° |
| C11 | C10 | S67 | O20 | 39.3° | 30.0° |
| C11 | C10 | S67 | O18 | 159.5° | 90.0° |
| C11 | C10 | C9 | H12 | 177.0° | 178.7° |
| C52 | C51 | C50 | H29 | 180.0° | 180.0° |
| C52 | C51 | C50 | C55 | 1.6° | 2.9° |
| C52 | C51 | C50 | C43 | 175.0° | 174.8° |
| C51 | C52 | C53 | H30 | 178.4° | 179.2° |
| C54 | C55 | C50 | C51 | 2.8° | 6.4° |
| C54 | C55 | C50 | O8 | 173.5° | 180.0° |
| C54 | C55 | C50 | C43 | 179.4° | 171.3° |
| C55 | C54 | C53 | H30 | 173.9° | 177.2° |
| C54 | C55 | O8 | H38 | 180.0° | 90.0° |
| C55 | C54 | C72 | H39 | 36.1° | 19.2° |
| C55 | C54 | C72 | H40 | 156.3° | 97.2° |
| C7 | C8 | C9 | C10 | 177.3° | 176.5° |
| C8 | C7 | C2 | H10 | 120.0° | 121.2° |
| C8 | C7 | C2 | H11 | 120.0° | 121.1° |
| C8 | C7 | C2 | C1 | 10.7° | 98.4° |
| C8 | C7 | C2 | C3 | 169.4° | 88.2° |
| C8 | C7 | H10 | H11 | 120.0° | 117.8° |
| C7 | C8 | C9 | H12 | 2.6° | 3.5° |
| C8 | C9 | C10 | H12 | 180.0° | 180.0° |
| C8 | C9 | C10 | S67 | 177.2° | 178.3° |
| C9 | C8 | C7 | C2 | 91.4° | 37.5° |
| C9 | C8 | C7 | H10 | 28.6° | 158.6° |
| C9 | C8 | C7 | H11 | 148.6° | 83.7° |
| O19 | S67 | C10 | C9 | 99.5° | 29.7° |
| O19 | S67 | C10 | O20 | 119.9° | 120.0° |
| O19 | S67 | C10 | O18 | 119.9° | 120.0° |
| O19 | S67 | O20 | O18 | 117.9° | 127.0° |
| C9 | C10 | S67 | O20 | 140.6° | 149.7° |
| C9 | C10 | S67 | O18 | 20.4° | 90.3° |
| C9 | C10 | C11 | H1 | 177.6° | 180.0° |
| C10 | S67 | O20 | O18 | 123.3° | 116.5° |
| S67 | C10 | C11 | H1 | 2.5° | 0.4° |
| S67 | C10 | C9 | H12 | 2.9° | 1.7° |
| C51 | C50 | C55 | C43 | 176.6° | 177.7° |
| C51 | C50 | C55 | O8 | 176.3° | 173.6° |
| C51 | C50 | C43 | C40 | 100.6° | 70.5° |
| C51 | C50 | C43 | H25 | 19.8° | 52.0° |
| C51 | C50 | C43 | H26 | 138.9° | 166.9° |
| C55 | C50 | C43 | C40 | 82.8° | 111.8° |
| C55 | C50 | C43 | H25 | 156.8° | 125.7° |
| C55 | C50 | C43 | H26 | 37.7° | 10.8° |
| C55 | C50 | C51 | H29 | 178.4° | 177.1° |
| C50 | C55 | O8 | H38 | 6.5° | 90.0° |
| O8 | C55 | C50 | C43 | 7.1° | 8.7° |
| C7 | C2 | C1 | C3 | 179.9° | 173.4° |
| C7 | C2 | C1 | C6 | 178.8° | 168.4° |
| C7 | C2 | C3 | O5 | 0.5° | 11.3° |
| C7 | C2 | C3 | C4 | 178.2° | 168.7° |
| C7 | C2 | C1 | H8 | 1.2° | 11.5° |
| C2 | C7 | H10 | H11 | 120.0° | 117.9° |
| C50 | C43 | C40 | H25 | 120.5° | 122.5° |
| C50 | C43 | C40 | H26 | 120.4° | 122.5° |
| C50 | C43 | C40 | C39 | 85.7° | 74.4° |
| C50 | C43 | C40 | C41 | 98.8° | 114.3° |
| C50 | C43 | H25 | H26 | 118.6° | 115.2° |
| C43 | C50 | C51 | H29 | 5.0° | 5.2° |
| C2 | C1 | C6 | H8 | 180.0° | 179.9° |
| C1 | C2 | C3 | O5 | 179.6° | 175.3° |
| C1 | C2 | C3 | C4 | 1.9° | 4.7° |
| C2 | C1 | C6 | S68 | 179.0° | 178.3° |
| C2 | C1 | C6 | C5 | 1.4° | 1.8° |
| C1 | C2 | C7 | H10 | 130.8° | 140.5° |
| C1 | C2 | C7 | H11 | 109.3° | 22.7° |
| C3 | C2 | C1 | C6 | 1.2° | 5.0° |
| C2 | C3 | O5 | C4 | 177.6° | 180.0° |
| C2 | C3 | C4 | C5 | 2.8° | 1.2° |
| C2 | C3 | C4 | C15 | 177.0° | 178.6° |
| C3 | C2 | C1 | H8 | 178.7° | 175.1° |
| C3 | C2 | C7 | H10 | 49.3° | 32.9° |
| C3 | C2 | C7 | H11 | 70.6° | 150.7° |
| C2 | C3 | O5 | H35 | 180.0° | 90.0° |
| C1 | C6 | S68 | O21 | 19.0° | 150.0° |
| C1 | C6 | S68 | C5 | 179.6° | 180.0° |
| C1 | C6 | S68 | O22 | 139.6° | 30.0° |
| C1 | C6 | S68 | O23 | 99.5° | 90.0° |
| C1 | C6 | C5 | C4 | 2.3° | 1.7° |
| C1 | C6 | C5 | H9 | 177.7° | 178.3° |
| O21 | S68 | C6 | O22 | 120.6° | 120.0° |
| O21 | S68 | C6 | O23 | 118.5° | 120.0° |
| O21 | S68 | C6 | C5 | 160.6° | 30.0° |
| O21 | S68 | O22 | O23 | 122.0° | 126.9° |
| C43 | C40 | C41 | O7 | 1.1° | 18.6° |
| C43 | C40 | C39 | C41 | 175.5° | 171.3° |
| C43 | C40 | C39 | C38 | 173.5° | 166.1° |
| C43 | C40 | C41 | C36 | 175.5° | 161.5° |
| C43 | C40 | C39 | H22 | 6.5° | 14.0° |
| C40 | C43 | H25 | H26 | 118.6° | 115.2° |
| O5 | C3 | C4 | C5 | 179.7° | 178.8° |
| O5 | C3 | C4 | C15 | 5.4° | 1.4° |
| C3 | C4 | C5 | C6 | 3.0° | 2.0° |
| C3 | C4 | C5 | C15 | 174.3° | 177.3° |
| C3 | C4 | C15 | C16 | 81.1° | 119.2° |
| C3 | C4 | C15 | H4 | 39.3° | 2.2° |
| C3 | C4 | C15 | H5 | 158.4° | 119.4° |
| C3 | C4 | C5 | H9 | 177.0° | 178.0° |
| C4 | C3 | O5 | H35 | 2.4° | 90.0° |
| C6 | S68 | O22 | O23 | 117.8° | 116.6° |
| S68 | C6 | C5 | C4 | 178.2° | 178.2° |
| S68 | C6 | C1 | H8 | 1.0° | 1.7° |
| S68 | C6 | C5 | H9 | 1.9° | 1.7° |
| C5 | C6 | S68 | O22 | 40.0° | 150.0° |
| C5 | C6 | S68 | O23 | 81.0° | 90.0° |
| C6 | C5 | C4 | H9 | 180.0° | 180.0° |
| C6 | C5 | C4 | C15 | 177.3° | 175.3° |
| C5 | C6 | C1 | H8 | 178.6° | 178.3° |
| C5 | C4 | C15 | C16 | 104.6° | 63.5° |
| C5 | C4 | C15 | H4 | 134.9° | 175.1° |
| C5 | C4 | C15 | H5 | 15.8° | 57.9° |
| C4 | C15 | C16 | H4 | 120.4° | 121.4° |
| C4 | C15 | C16 | H5 | 120.5° | 121.4° |
| C4 | C15 | C16 | C21 | 110.4° | 115.8° |
| C4 | C15 | C16 | C17 | 75.7° | 64.8° |
| C4 | C15 | H4 | H5 | 118.6° | 117.3° |
| C15 | C4 | C5 | H9 | 2.7° | 4.7° |
| O7 | C41 | C40 | C39 | 176.5° | 170.0° |
| O7 | C41 | C40 | C36 | 176.5° | 179.9° |
| O7 | C41 | C36 | C37 | 175.6° | 171.3° |
| O7 | C41 | C36 | C29 | 5.8° | 14.0° |
| C40 | C39 | C38 | H22 | 180.0° | 179.9° |
| C39 | C40 | C41 | C36 | 0.0° | 9.9° |
| C40 | C39 | C38 | C37 | 3.1° | 0.8° |
| C40 | C39 | C38 | S70 | 173.3° | 179.2° |
| C39 | C40 | C43 | H25 | 34.8° | 48.2° |
| C39 | C40 | C43 | H26 | 153.9° | 163.1° |
| C41 | C40 | C39 | C38 | 2.0° | 5.2° |
| C40 | C41 | C36 | C37 | 0.8° | 8.6° |
| C40 | C41 | C36 | C29 | 170.6° | 166.0° |
| C41 | C40 | C39 | H22 | 178.0° | 174.7° |
| C41 | C40 | C43 | H25 | 140.7° | 123.2° |
| C41 | C40 | C43 | H26 | 21.6° | 8.2° |
| C40 | C41 | O7 | H37 | 180.0° | 90.0° |
| C15 | C16 | C21 | O6 | 4.7° | 5.1° |
| C15 | C16 | C21 | C17 | 174.0° | 179.5° |
| C15 | C16 | C21 | C20 | 177.3° | 174.8° |
| C15 | C16 | C17 | C18 | 179.2° | 174.3° |
| C16 | C15 | H4 | H5 | 118.7° | 117.3° |
| C15 | C16 | C17 | H6 | 0.8° | 5.7° |
| O6 | C21 | C16 | C20 | 172.6° | 179.9° |
| O6 | C21 | C16 | C17 | 178.7° | 175.5° |
| O6 | C21 | C20 | C29 | 12.9° | 2.5° |
| O6 | C21 | C20 | C19 | 179.8° | 179.9° |
| C39 | C38 | S70 | O29 | 36.9° | 150.0° |
| C39 | C38 | C37 | S70 | 176.3° | 180.0° |
| C39 | C38 | C37 | C36 | 2.3° | 2.1° |
| C39 | C38 | S70 | O28 | 82.0° | 30.0° |
| C39 | C38 | S70 | O27 | 158.8° | 90.0° |
| C39 | C38 | C37 | H21 | 177.7° | 178.0° |
| C41 | C36 | C37 | C38 | 0.4° | 2.6° |
| C41 | C36 | C37 | C29 | 169.5° | 174.6° |
| C41 | C36 | C29 | C20 | 93.6° | 130.1° |
| C41 | C36 | C29 | H17 | 144.9° | 107.9° |
| C41 | C36 | C29 | H18 | 27.8° | 8.2° |
| C41 | C36 | C37 | H21 | 179.6° | 177.3° |
| C36 | C41 | O7 | H37 | 3.5° | 90.1° |
| C16 | C21 | C20 | C29 | 174.4° | 177.7° |
| C16 | C21 | C20 | C19 | 7.2° | 0.0° |
| C21 | C16 | C17 | C18 | 6.9° | 5.1° |
| C21 | C16 | C15 | H4 | 10.0° | 5.6° |
| C21 | C16 | C15 | H5 | 129.1° | 122.9° |
| C21 | C16 | C17 | H6 | 173.1° | 174.9° |
| C16 | C21 | O6 | H36 | 180.0° | 89.9° |
| C20 | C21 | C16 | C17 | 8.7° | 4.7° |
| C21 | C20 | C29 | C36 | 84.8° | 79.0° |
| C21 | C20 | C29 | C19 | 167.1° | 177.6° |
| C21 | C20 | C19 | C18 | 4.0° | 4.2° |
| C21 | C20 | C19 | H7 | 176.0° | 175.7° |
| C21 | C20 | C29 | H17 | 153.7° | 159.0° |
| C21 | C20 | C29 | H18 | 36.7° | 42.8° |
| C20 | C21 | O6 | H36 | 7.3° | 90.0° |
| C16 | C17 | C18 | H6 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 3.8° | 0.9° |
| C16 | C17 | C18 | S69 | 172.0° | 179.1° |
| C17 | C16 | C15 | H4 | 163.9° | 173.8° |
| C17 | C16 | C15 | H5 | 44.8° | 56.6° |
| O29 | S70 | C38 | C37 | 146.8° | 30.0° |
| O29 | S70 | C38 | O28 | 118.9° | 119.9° |
| O29 | S70 | C38 | O27 | 121.9° | 120.0° |
| O29 | S70 | O28 | O27 | 121.8° | 126.9° |
| C38 | C37 | C36 | H21 | 180.0° | 180.0° |
| C38 | C37 | C36 | C29 | 169.1° | 171.9° |
| C37 | C38 | S70 | O28 | 94.3° | 150.0° |
| C37 | C38 | S70 | O27 | 24.9° | 90.0° |
| C37 | C38 | C39 | H22 | 176.9° | 179.4° |
| S70 | C38 | C37 | C36 | 174.0° | 177.9° |
| C38 | S70 | O28 | O27 | 117.4° | 116.6° |
| S70 | C38 | C37 | H21 | 6.0° | 2.0° |
| S70 | C38 | C39 | H22 | 6.7° | 0.6° |
| C37 | C36 | C29 | C20 | 97.0° | 55.3° |
| C37 | C36 | C29 | H17 | 24.5° | 66.7° |
| C37 | C36 | C29 | H18 | 141.6° | 177.2° |
| C36 | C29 | C20 | H17 | 121.4° | 122.0° |
| C36 | C29 | C20 | H18 | 121.5° | 121.8° |
| C36 | C29 | C20 | C19 | 108.1° | 103.4° |
| C36 | C29 | H17 | H18 | 115.3° | 116.2° |
| C29 | C36 | C37 | H21 | 10.9° | 8.1° |
| C29 | C20 | C19 | C18 | 171.5° | 173.5° |
| C29 | C20 | C19 | H7 | 8.5° | 6.6° |
| C20 | C29 | H17 | H18 | 115.3° | 116.3° |
| C20 | C19 | C18 | C17 | 2.4° | 3.8° |
| C20 | C19 | C18 | H7 | 180.0° | 179.9° |
| C20 | C19 | C18 | S69 | 173.5° | 176.2° |
| C19 | C20 | C29 | H17 | 13.4° | 18.6° |
| C19 | C20 | C29 | H18 | 130.4° | 134.8° |
| C17 | C18 | C19 | S69 | 175.8° | 180.0° |
| C17 | C18 | S69 | O26 | 107.1° | 150.0° |
| C17 | C18 | S69 | O24 | 12.8° | 30.0° |
| C17 | C18 | S69 | O25 | 134.0° | 90.0° |
| C17 | C18 | C19 | H7 | 177.6° | 176.1° |
| C19 | C18 | S69 | O26 | 68.7° | 30.0° |
| C19 | C18 | S69 | O24 | 171.5° | 150.0° |
| C19 | C18 | S69 | O25 | 50.3° | 90.0° |
| C19 | C18 | C17 | H6 | 176.2° | 179.1° |
| C18 | S69 | O26 | O24 | 121.1° | 116.6° |
| C18 | S69 | O26 | O25 | 120.5° | 116.5° |
| C18 | S69 | O24 | O25 | 121.8° | 116.6° |
| S69 | C18 | C17 | H6 | 8.0° | 0.9° |
| S69 | C18 | C19 | H7 | 6.5° | 3.9° |
| O26 | S69 | O24 | O25 | 117.3° | 126.9° |
