EVB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | S64 | doub | 1.42Å | 1.48Å | |
| O9 | S64 | doub | 1.42Å | 1.48Å | |
| S64 | O10 | sing | 1.52Å | 1.48Å | |
| S64 | C48 | sing | 1.76Å | 1.60Å | |
| O12 | S65 | doub | 1.42Å | 1.48Å | |
| O13 | S65 | doub | 1.42Å | 1.49Å | |
| C49 | C48 | doub | 1.38Å | 1.39Å | Aromatic |
| C49 | C44 | sing | 1.38Å | 1.39Å | Aromatic |
| C48 | C47 | sing | 1.38Å | 1.41Å | Aromatic |
| C42 | C44 | sing | 1.50Å | 1.51Å | |
| C42 | C32 | sing | 1.49Å | 1.52Å | |
| S65 | C34 | sing | 1.76Å | 1.61Å | |
| S65 | O14 | sing | 1.52Å | 1.48Å | |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C44 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| O15 | S66 | doub | 1.42Å | 1.49Å | |
| C47 | C46 | doub | 1.39Å | 1.41Å | Aromatic |
| O17 | S66 | doub | 1.42Å | 1.48Å | |
| C45 | C46 | sing | 1.39Å | 1.40Å | Aromatic |
| C45 | O1 | sing | 1.36Å | 1.36Å | |
| C35 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | O2 | sing | 1.36Å | 1.36Å | |
| C31 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| S66 | C26 | sing | 1.76Å | 1.61Å | |
| S66 | O16 | sing | 1.52Å | 1.48Å | |
| C46 | C72 | sing | 1.49Å | 1.52Å | |
| O32 | S71 | doub | 1.42Å | 1.48Å | |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C22 | sing | 1.50Å | 1.52Å | |
| C14 | C12 | sing | 1.50Å | 1.51Å | |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C28 | sing | 1.51Å | 1.51Å | |
| O30 | S71 | doub | 1.42Å | 1.49Å | |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | O3 | sing | 1.36Å | 1.36Å | |
| C24 | C28 | sing | 1.50Å | 1.52Å | |
| S71 | C52 | sing | 1.76Å | 1.60Å | |
| S71 | O31 | sing | 1.52Å | 1.48Å | |
| C53 | C52 | doub | 1.38Å | 1.40Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C52 | C51 | sing | 1.39Å | 1.40Å | Aromatic |
| C72 | C54 | sing | 1.50Å | 1.52Å | |
| O19 | S67 | doub | 1.42Å | 1.48Å | |
| C54 | C55 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C51 | C50 | doub | 1.39Å | 1.40Å | Aromatic |
| C55 | C50 | sing | 1.39Å | 1.40Å | Aromatic |
| C55 | O8 | sing | 1.36Å | 1.36Å | |
| C50 | C43 | sing | 1.49Å | 1.51Å | |
| O4 | C13 | sing | 1.36Å | 1.36Å | |
| O23 | S68 | doub | 1.42Å | 1.49Å | |
| C43 | C40 | sing | 1.49Å | 1.52Å | |
| C13 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C4 | sing | 1.50Å | 1.50Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C10 | S67 | sing | 1.76Å | 1.60Å | |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| S67 | O18 | doub | 1.42Å | 1.48Å | |
| S67 | O20 | sing | 1.52Å | 1.48Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| O5 | C3 | sing | 1.36Å | 1.36Å | |
| O7 | C41 | sing | 1.36Å | 1.36Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.50Å | 1.51Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | S68 | sing | 1.76Å | 1.59Å | |
| C6 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| S68 | O22 | doub | 1.42Å | 1.48Å | |
| S68 | O21 | sing | 1.52Å | 1.48Å | |
| O6 | C21 | sing | 1.36Å | 1.37Å | |
| C40 | C41 | doub | 1.39Å | 1.40Å | Aromatic |
| C40 | C39 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.50Å | 1.51Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C41 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| O26 | S69 | doub | 1.42Å | 1.47Å | |
| C39 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | S69 | sing | 1.76Å | 1.60Å | |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C29 | sing | 1.49Å | 1.53Å | |
| S69 | O24 | doub | 1.42Å | 1.48Å | |
| S69 | O25 | sing | 1.52Å | 1.48Å | |
| C36 | C29 | sing | 1.50Å | 1.52Å | |
| C36 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C38 | S70 | sing | 1.76Å | 1.61Å | |
| O29 | S70 | doub | 1.42Å | 1.48Å | |
| S70 | O27 | doub | 1.42Å | 1.48Å | |
| S70 | O28 | sing | 1.52Å | 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 | |
| O14 | H41 | sing | 0.97Å | 0.95Å | |
| O16 | H42 | sing | 0.97Å | 0.95Å | |
| O20 | H43 | sing | 0.97Å | 0.95Å | |
| O21 | H44 | sing | 0.97Å | 0.95Å | |
| O10 | H45 | sing | 0.97Å | 0.95Å | |
| O31 | H46 | sing | 0.97Å | 0.95Å | |
| O28 | H47 | sing | 0.97Å | 0.95Å | |
| O25 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | S64 | O9 | 107.2° | 123.2° |
| O11 | S64 | O10 | 108.5° | 106.4° |
| O11 | S64 | C48 | 110.7° | 106.4° |
| O9 | S64 | O10 | 110.9° | 106.4° |
| O9 | S64 | C48 | 107.4° | 106.4° |
| O10 | S64 | C48 | 112.0° | 107.2° |
| S64 | O10 | H45 | 109.5° | 114.0° |
| S64 | C48 | C49 | 116.1° | 119.7° |
| S64 | C48 | C47 | 124.2° | 119.7° |
| O12 | S65 | O13 | 108.4° | 123.1° |
| O12 | S65 | C34 | 112.7° | 106.4° |
| O12 | S65 | O14 | 108.1° | 106.4° |
| O13 | S65 | C34 | 108.6° | 106.4° |
| O13 | S65 | O14 | 110.7° | 106.4° |
| C48 | C49 | C44 | 120.3° | 119.7° |
| C49 | C48 | C47 | 119.6° | 120.6° |
| C48 | C49 | H28 | 119.9° | 120.1° |
| C49 | C44 | C42 | 117.5° | 121.2° |
| C49 | C44 | C45 | 120.6° | 119.9° |
| C44 | C49 | H28 | 119.8° | 120.2° |
| C48 | C47 | C46 | 120.2° | 119.8° |
| C48 | C47 | H27 | 119.9° | 120.1° |
| C44 | C42 | C32 | 111.1° | 116.4° |
| C42 | C44 | C45 | 122.0° | 118.9° |
| C44 | C42 | H23 | 109.1° | 108.1° |
| C44 | C42 | H24 | 109.1° | 108.1° |
| C42 | C32 | C33 | 119.6° | 117.9° |
| C42 | C32 | C31 | 120.6° | 122.2° |
| C32 | C42 | H23 | 109.1° | 108.1° |
| C32 | C42 | H24 | 109.0° | 108.0° |
| C34 | S65 | O14 | 108.4° | 107.2° |
| S65 | C34 | C33 | 122.3° | 120.0° |
| S65 | C34 | C35 | 118.5° | 120.0° |
| S65 | O14 | H41 | 109.5° | 114.0° |
| C34 | C33 | C32 | 120.5° | 120.1° |
| C33 | C34 | C35 | 119.2° | 120.1° |
| C34 | C33 | H19 | 119.7° | 119.9° |
| C33 | C32 | C31 | 119.8° | 119.8° |
| C32 | C33 | H19 | 119.8° | 120.0° |
| C44 | C45 | C46 | 120.2° | 120.5° |
| C44 | C45 | O1 | 119.0° | 119.7° |
| C34 | C35 | C30 | 120.6° | 120.3° |
| C34 | C35 | H20 | 119.7° | 119.8° |
| C32 | C31 | O2 | 119.7° | 120.0° |
| C32 | C31 | C30 | 120.0° | 120.0° |
| O15 | S66 | O17 | 108.2° | 123.2° |
| O15 | S66 | C26 | 110.9° | 106.4° |
| O15 | S66 | O16 | 109.8° | 106.4° |
| C47 | C46 | C45 | 119.1° | 119.4° |
| C47 | C46 | C72 | 119.6° | 121.4° |
| C46 | C47 | H27 | 119.9° | 120.1° |
| O17 | S66 | C26 | 109.7° | 106.4° |
| O17 | S66 | O16 | 109.4° | 106.4° |
| C46 | C45 | O1 | 120.7° | 119.8° |
| C45 | C46 | C72 | 121.3° | 119.1° |
| C45 | O1 | H31 | 109.5° | 114.1° |
| C35 | C30 | C31 | 120.0° | 119.8° |
| C35 | C30 | C28 | 118.6° | 121.2° |
| C30 | C35 | H20 | 119.7° | 119.9° |
| O2 | C31 | C30 | 120.4° | 120.0° |
| C31 | O2 | H32 | 109.5° | 114.0° |
| C31 | C30 | C28 | 121.4° | 119.0° |
| C26 | S66 | O16 | 108.7° | 107.2° |
| S66 | C26 | C27 | 121.2° | 120.0° |
| S66 | C26 | C25 | 119.8° | 120.1° |
| S66 | O16 | H42 | 109.5° | 114.0° |
| C46 | C72 | C54 | 116.9° | 119.6° |
| C46 | C72 | H39 | 107.6° | 107.4° |
| C46 | C72 | H40 | 107.6° | 107.4° |
| O32 | S71 | O30 | 108.4° | 123.1° |
| O32 | S71 | C52 | 107.3° | 106.4° |
| O32 | S71 | O31 | 110.4° | 106.4° |
| C26 | C27 | C22 | 120.5° | 120.1° |
| C27 | C26 | C25 | 119.0° | 119.9° |
| C26 | C27 | H14 | 119.7° | 119.9° |
| C27 | C22 | C14 | 118.9° | 117.0° |
| C27 | C22 | C23 | 119.8° | 120.1° |
| C22 | C27 | H14 | 119.7° | 119.9° |
| C22 | C14 | C12 | 114.4° | 112.5° |
| C14 | C22 | C23 | 121.2° | 122.9° |
| C22 | C14 | H2 | 108.2° | 108.9° |
| C22 | C14 | H3 | 108.3° | 108.9° |
| C14 | C12 | C11 | 117.6° | 124.4° |
| C14 | C12 | C13 | 122.3° | 115.5° |
| C12 | C14 | H2 | 108.2° | 108.9° |
| C12 | C14 | H3 | 108.2° | 108.8° |
| C26 | C25 | C24 | 120.9° | 120.6° |
| C26 | C25 | H13 | 119.6° | 119.8° |
| C22 | C23 | C24 | 120.2° | 119.9° |
| C22 | C23 | O3 | 119.2° | 120.0° |
| C30 | C28 | C24 | 108.0° | 114.0° |
| C30 | C28 | H15 | 109.9° | 108.6° |
| C30 | C28 | H16 | 109.9° | 108.5° |
| O30 | S71 | C52 | 111.9° | 106.4° |
| O30 | S71 | O31 | 109.1° | 106.5° |
| C25 | C24 | C23 | 119.6° | 119.4° |
| C25 | C24 | C28 | 118.0° | 119.6° |
| C24 | C25 | H13 | 119.6° | 119.7° |
| C24 | C23 | O3 | 120.6° | 120.1° |
| C23 | C24 | C28 | 122.4° | 121.0° |
| C23 | O3 | H33 | 109.5° | 114.0° |
| C24 | C28 | H15 | 109.8° | 108.6° |
| C24 | C28 | H16 | 109.8° | 108.6° |
| C52 | S71 | O31 | 109.6° | 107.2° |
| S71 | C52 | C53 | 122.7° | 119.8° |
| S71 | C52 | C51 | 117.8° | 119.8° |
| S71 | O31 | H46 | 109.5° | 113.9° |
| C52 | C53 | C54 | 120.5° | 119.7° |
| C53 | C52 | C51 | 119.5° | 120.3° |
| C52 | C53 | H30 | 119.7° | 120.2° |
| C53 | C54 | C72 | 118.0° | 121.2° |
| C53 | C54 | C55 | 119.5° | 120.1° |
| C54 | C53 | H30 | 119.7° | 120.1° |
| C11 | C12 | C13 | 120.1° | 120.1° |
| C12 | C11 | C10 | 120.2° | 120.1° |
| C12 | C11 | H1 | 119.9° | 119.9° |
| C12 | C13 | O4 | 120.6° | 120.2° |
| C12 | C13 | C8 | 119.6° | 119.8° |
| C52 | C51 | C50 | 120.5° | 119.9° |
| C52 | C51 | H29 | 119.8° | 120.0° |
| C72 | C54 | C55 | 122.5° | 118.4° |
| C54 | C72 | H39 | 107.6° | 107.4° |
| C54 | C72 | H40 | 107.6° | 107.4° |
| O19 | S67 | C10 | 110.2° | 106.4° |
| O19 | S67 | O18 | 109.5° | 123.2° |
| O19 | S67 | O20 | 109.8° | 106.4° |
| C54 | C55 | C50 | 119.9° | 120.1° |
| C54 | C55 | O8 | 120.4° | 120.0° |
| C11 | C10 | S67 | 120.8° | 120.2° |
| C11 | C10 | C9 | 119.8° | 119.7° |
| C10 | C11 | H1 | 119.9° | 120.0° |
| C51 | C50 | C55 | 120.0° | 119.6° |
| C51 | C50 | C43 | 117.5° | 120.9° |
| C50 | C51 | H29 | 119.8° | 120.1° |
| C50 | C55 | O8 | 119.7° | 120.0° |
| C55 | C50 | C43 | 122.3° | 119.4° |
| C55 | O8 | H38 | 109.5° | 114.0° |
| C50 | C43 | C40 | 117.1° | 119.5° |
| C50 | C43 | H25 | 107.5° | 107.5° |
| C50 | C43 | H26 | 107.5° | 107.4° |
| O4 | C13 | C8 | 119.8° | 120.1° |
| C13 | O4 | H34 | 109.5° | 114.0° |
| O23 | S68 | C6 | 107.4° | 106.4° |
| O23 | S68 | O22 | 110.8° | 123.1° |
| O23 | S68 | O21 | 109.7° | 106.4° |
| C43 | C40 | C41 | 120.2° | 119.7° |
| C43 | C40 | C39 | 120.2° | 120.8° |
| C40 | C43 | H25 | 107.5° | 107.4° |
| C40 | C43 | H26 | 107.5° | 107.4° |
| C13 | C8 | C9 | 120.3° | 120.1° |
| C13 | C8 | C7 | 121.6° | 115.1° |
| C4 | C15 | C16 | 106.6° | 113.4° |
| C15 | C4 | C5 | 118.5° | 120.2° |
| C15 | C4 | C3 | 120.8° | 120.2° |
| C4 | C15 | H4 | 110.2° | 108.7° |
| C4 | C15 | H5 | 110.2° | 108.7° |
| C15 | C16 | C17 | 117.3° | 120.1° |
| C15 | C16 | C21 | 122.6° | 120.1° |
| C16 | C15 | H4 | 110.2° | 108.7° |
| C16 | C15 | H5 | 110.2° | 108.7° |
| S67 | C10 | C9 | 119.5° | 120.1° |
| C10 | S67 | O18 | 109.4° | 106.4° |
| C10 | S67 | O20 | 108.3° | 107.2° |
| C10 | C9 | C8 | 120.0° | 120.2° |
| C10 | C9 | H12 | 120.0° | 119.9° |
| O18 | S67 | O20 | 109.6° | 106.4° |
| S67 | O20 | H43 | 109.5° | 114.0° |
| C5 | C4 | C3 | 120.7° | 119.5° |
| C4 | C5 | C6 | 119.9° | 120.3° |
| C4 | C5 | H9 | 120.0° | 119.9° |
| C4 | C3 | O5 | 120.3° | 120.0° |
| C4 | C3 | C2 | 119.8° | 119.9° |
| C5 | C6 | S68 | 118.7° | 119.9° |
| C5 | C6 | C1 | 119.6° | 120.1° |
| C6 | C5 | H9 | 120.1° | 119.8° |
| O5 | C3 | C2 | 119.9° | 120.1° |
| C3 | O5 | H35 | 109.5° | 114.1° |
| O7 | C41 | C40 | 118.7° | 119.9° |
| O7 | C41 | C36 | 120.2° | 120.0° |
| C41 | O7 | H37 | 109.5° | 114.0° |
| C3 | C2 | C1 | 119.8° | 120.1° |
| C3 | C2 | C7 | 120.7° | 122.5° |
| C9 | C8 | C7 | 118.1° | 124.8° |
| C8 | C9 | H12 | 120.0° | 119.9° |
| C8 | C7 | C2 | 115.5° | 112.5° |
| C8 | C7 | H10 | 108.0° | 108.9° |
| C8 | C7 | H11 | 107.9° | 108.8° |
| C17 | C16 | C21 | 120.1° | 119.8° |
| C16 | C17 | C18 | 120.4° | 120.1° |
| C16 | C17 | H6 | 119.8° | 119.9° |
| C16 | C21 | O6 | 119.1° | 119.9° |
| C16 | C21 | C20 | 120.5° | 120.2° |
| S68 | C6 | C1 | 121.7° | 119.9° |
| C6 | S68 | O22 | 109.5° | 106.4° |
| C6 | S68 | O21 | 111.7° | 107.2° |
| C6 | C1 | C2 | 120.2° | 119.9° |
| C6 | C1 | H8 | 119.9° | 120.0° |
| O22 | S68 | O21 | 107.8° | 106.4° |
| S68 | O21 | H44 | 109.5° | 114.0° |
| O6 | C21 | C20 | 120.3° | 119.9° |
| C21 | O6 | H36 | 109.5° | 114.0° |
| C41 | C40 | C39 | 119.6° | 119.3° |
| C40 | C41 | C36 | 121.0° | 120.1° |
| C40 | C39 | C38 | 120.3° | 119.9° |
| C40 | C39 | H22 | 119.8° | 120.0° |
| C1 | C2 | C7 | 119.5° | 117.4° |
| C2 | C1 | H8 | 119.9° | 120.0° |
| C2 | C7 | H10 | 107.9° | 108.9° |
| C2 | C7 | H11 | 107.9° | 108.9° |
| C17 | C18 | S69 | 116.2° | 120.0° |
| C17 | C18 | C19 | 119.7° | 120.1° |
| C18 | C17 | H6 | 119.8° | 119.9° |
| C21 | C20 | C19 | 118.9° | 119.6° |
| C21 | C20 | C29 | 121.1° | 122.0° |
| C41 | C36 | C29 | 121.3° | 118.6° |
| C41 | C36 | C37 | 118.9° | 120.3° |
| O26 | S69 | C18 | 107.1° | 106.4° |
| O26 | S69 | O24 | 108.8° | 123.2° |
| O26 | S69 | O25 | 109.0° | 106.4° |
| C39 | C38 | C37 | 119.3° | 120.7° |
| C39 | C38 | S70 | 121.0° | 119.6° |
| C38 | C39 | H22 | 119.8° | 120.0° |
| S69 | C18 | C19 | 124.1° | 119.9° |
| C18 | S69 | O24 | 109.0° | 106.4° |
| C18 | S69 | O25 | 112.6° | 107.2° |
| C18 | C19 | C20 | 120.3° | 120.1° |
| C18 | C19 | H7 | 119.9° | 119.9° |
| C19 | C20 | C29 | 120.0° | 118.3° |
| C20 | C19 | H7 | 119.8° | 120.0° |
| C20 | C29 | C36 | 111.8° | 117.2° |
| C20 | C29 | H17 | 108.9° | 107.9° |
| C20 | C29 | H18 | 108.9° | 107.9° |
| O24 | S69 | O25 | 110.2° | 106.4° |
| S69 | O25 | H48 | 109.5° | 114.0° |
| C29 | C36 | C37 | 119.8° | 121.1° |
| C36 | C29 | H17 | 108.9° | 107.9° |
| C36 | C29 | H18 | 108.9° | 107.9° |
| C36 | C37 | C38 | 120.9° | 119.5° |
| C36 | C37 | H21 | 119.6° | 120.3° |
| C37 | C38 | S70 | 119.7° | 119.7° |
| C38 | C37 | H21 | 119.5° | 120.2° |
| C38 | S70 | O29 | 111.8° | 106.4° |
| C38 | S70 | O27 | 109.5° | 106.4° |
| C38 | S70 | O28 | 110.1° | 107.3° |
| O29 | S70 | O27 | 108.7° | 123.1° |
| O29 | S70 | O28 | 107.9° | 106.4° |
| O27 | S70 | O28 | 108.8° | 106.4° |
| S70 | O28 | H47 | 109.5° | 114.0° |
| H2 | C14 | H3 | 109.5° | 108.8° |
| H4 | C15 | H5 | 109.5° | 108.5° |
| H10 | C7 | H11 | 109.5° | 108.8° |
| H15 | C28 | H16 | 109.5° | 108.5° |
| H17 | C29 | H18 | 109.5° | 107.7° |
| H23 | C42 | H24 | 109.5° | 107.9° |
| H25 | C43 | H26 | 109.5° | 107.0° |
| H39 | C72 | H40 | 109.5° | 107.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | S64 | O9 | O10 | 118.3° | 123.0° |
| O11 | S64 | O9 | C48 | 119.0° | 122.9° |
| O11 | S64 | O10 | C48 | 122.5° | 113.5° |
| O11 | S64 | C48 | C49 | 58.7° | 23.5° |
| O11 | S64 | C48 | C47 | 121.0° | 156.4° |
| O11 | S64 | O10 | H45 | 0.0° | 66.5° |
| O9 | S64 | O10 | C48 | 120.0° | 113.5° |
| O9 | S64 | C48 | C49 | 58.0° | 156.4° |
| O9 | S64 | C48 | C47 | 122.3° | 23.5° |
| O9 | S64 | O10 | H45 | 117.5° | 66.4° |
| O10 | S64 | C48 | C49 | 179.9° | 90.0° |
| O10 | S64 | C48 | C47 | 0.2° | 90.0° |
| S64 | C48 | C49 | C47 | 179.7° | 180.0° |
| S64 | C48 | C49 | C44 | 179.9° | 180.0° |
| S64 | C48 | C47 | C46 | 178.8° | 179.6° |
| S64 | C48 | C47 | H27 | 1.2° | 0.4° |
| S64 | C48 | C49 | H28 | 0.1° | 0.0° |
| C48 | S64 | O10 | H45 | 122.5° | 180.0° |
| O12 | S65 | O13 | C34 | 122.8° | 122.9° |
| O12 | S65 | O13 | O14 | 118.4° | 123.0° |
| O12 | S65 | C34 | O14 | 119.6° | 113.5° |
| O12 | S65 | C34 | C33 | 15.8° | 156.4° |
| O12 | S65 | C34 | C35 | 164.6° | 23.5° |
| O12 | S65 | O14 | H41 | 0.0° | 66.5° |
| O13 | S65 | C34 | O14 | 120.3° | 113.6° |
| O13 | S65 | C34 | C33 | 104.3° | 23.5° |
| O13 | S65 | C34 | C35 | 75.3° | 156.4° |
| O13 | S65 | O14 | H41 | 118.6° | 66.4° |
| C48 | C49 | C44 | H28 | 180.0° | 180.0° |
| C48 | C49 | C44 | C42 | 179.7° | 177.7° |
| C48 | C49 | C44 | C45 | 0.5° | 0.4° |
| C49 | C48 | C47 | C46 | 0.9° | 0.4° |
| C49 | C48 | C47 | H27 | 179.1° | 179.5° |
| C44 | C49 | C48 | C47 | 0.2° | 0.1° |
| C49 | C44 | C42 | C45 | 179.8° | 178.1° |
| C49 | C44 | C42 | C32 | 100.4° | 56.2° |
| C49 | C44 | C45 | C46 | 0.3° | 1.1° |
| C49 | C44 | C45 | O1 | 179.8° | 179.0° |
| C49 | C44 | C42 | H23 | 19.9° | 177.9° |
| C49 | C44 | C42 | H24 | 139.4° | 65.5° |
| C48 | C47 | C46 | H27 | 180.0° | 179.9° |
| C48 | C47 | C46 | C45 | 1.7° | 1.1° |
| C48 | C47 | C46 | C72 | 179.0° | 176.5° |
| C47 | C48 | C49 | H28 | 179.8° | 179.9° |
| C44 | C42 | C32 | H23 | 120.3° | 121.8° |
| C44 | C42 | C32 | H24 | 120.2° | 121.7° |
| C44 | C42 | C32 | C33 | 75.0° | 113.5° |
| C44 | C42 | C32 | C31 | 106.1° | 69.7° |
| C42 | C44 | C45 | C46 | 179.5° | 177.0° |
| C42 | C44 | C45 | O1 | 0.1° | 2.9° |
| C44 | C42 | H23 | H24 | 119.3° | 116.7° |
| C42 | C44 | C49 | H28 | 0.3° | 2.3° |
| C42 | C32 | C33 | C34 | 179.4° | 175.3° |
| C42 | C32 | C33 | C31 | 178.9° | 176.9° |
| C32 | C42 | C44 | C45 | 79.9° | 125.7° |
| C42 | C32 | C31 | O2 | 1.0° | 4.6° |
| C42 | C32 | C31 | C30 | 179.3° | 175.5° |
| C42 | C32 | C33 | H19 | 0.6° | 4.6° |
| C32 | C42 | H23 | H24 | 119.2° | 116.6° |
| S65 | C34 | C33 | C35 | 179.5° | 179.9° |
| S65 | C34 | C33 | C32 | 179.9° | 179.0° |
| S65 | C34 | C35 | C30 | 180.0° | 179.9° |
| S65 | C34 | C33 | H19 | 0.1° | 0.9° |
| S65 | C34 | C35 | H20 | 0.0° | 0.1° |
| C34 | S65 | O14 | H41 | 122.5° | 180.0° |
| O14 | S65 | C34 | C33 | 135.4° | 90.1° |
| O14 | S65 | C34 | C35 | 45.0° | 90.0° |
| C34 | C33 | C32 | H19 | 180.0° | 179.9° |
| C34 | C33 | C32 | C31 | 0.5° | 1.6° |
| C33 | C34 | C35 | C30 | 0.4° | 0.2° |
| C33 | C34 | C35 | H20 | 179.5° | 179.8° |
| C32 | C33 | C34 | C35 | 0.5° | 1.1° |
| C33 | C32 | C31 | O2 | 179.9° | 178.7° |
| C33 | C32 | C31 | C30 | 0.4° | 1.2° |
| C33 | C32 | C42 | H23 | 45.3° | 124.7° |
| C33 | C32 | C42 | H24 | 164.8° | 8.2° |
| C44 | C45 | C46 | C47 | 1.4° | 1.5° |
| C44 | C45 | C46 | O1 | 179.5° | 179.9° |
| C44 | C45 | C46 | C72 | 178.7° | 176.2° |
| C45 | C44 | C42 | H23 | 159.9° | 3.9° |
| C45 | C44 | C42 | H24 | 40.4° | 112.6° |
| C45 | C44 | C49 | H28 | 179.5° | 179.6° |
| C44 | C45 | O1 | H31 | 180.0° | 90.0° |
| C34 | C35 | C30 | H20 | 180.0° | 180.0° |
| C34 | C35 | C30 | C31 | 0.3° | 0.2° |
| C34 | C35 | C30 | C28 | 179.4° | 178.4° |
| C35 | C34 | C33 | H19 | 179.5° | 179.0° |
| C32 | C31 | C30 | C35 | 0.3° | 0.4° |
| C32 | C31 | O2 | C30 | 179.6° | 179.9° |
| C32 | C31 | C30 | C28 | 179.4° | 179.0° |
| C31 | C32 | C33 | H19 | 179.5° | 178.5° |
| C31 | C32 | C42 | H23 | 133.6° | 52.1° |
| C31 | C32 | C42 | H24 | 14.1° | 168.5° |
| C32 | C31 | O2 | H32 | 180.0° | 90.1° |
| O15 | S66 | O17 | C26 | 121.2° | 122.9° |
| O15 | S66 | O17 | O16 | 119.6° | 123.0° |
| O15 | S66 | C26 | O16 | 120.8° | 113.5° |
| O15 | S66 | C26 | C27 | 27.5° | 156.5° |
| O15 | S66 | C26 | C25 | 153.3° | 23.5° |
| O15 | S66 | O16 | H42 | 118.7° | 66.5° |
| C47 | C46 | C45 | C72 | 177.3° | 177.7° |
| C47 | C46 | C45 | O1 | 179.1° | 178.6° |
| C47 | C46 | C72 | C54 | 86.5° | 47.6° |
| C47 | C46 | C72 | H39 | 34.6° | 170.1° |
| C47 | C46 | C72 | H40 | 152.4° | 75.0° |
| O17 | S66 | C26 | O16 | 119.6° | 113.5° |
| O17 | S66 | C26 | C27 | 147.0° | 23.5° |
| O17 | S66 | C26 | C25 | 33.7° | 156.5° |
| O17 | S66 | O16 | H42 | 0.0° | 66.5° |
| C45 | C46 | C72 | C54 | 96.2° | 134.8° |
| C45 | C46 | C47 | H27 | 178.4° | 178.8° |
| C46 | C45 | O1 | H31 | 0.5° | 89.9° |
| C45 | C46 | C72 | H39 | 142.7° | 12.3° |
| C45 | C46 | C72 | H40 | 24.9° | 102.6° |
| O1 | C45 | C46 | C72 | 1.8° | 3.7° |
| C35 | C30 | C31 | O2 | 180.0° | 179.6° |
| C35 | C30 | C31 | C28 | 179.1° | 178.6° |
| C35 | C30 | C28 | C24 | 93.4° | 51.5° |
| C35 | C30 | C28 | H15 | 146.9° | 69.7° |
| C35 | C30 | C28 | H16 | 26.4° | 172.6° |
| O2 | C31 | C30 | C28 | 1.0° | 0.9° |
| C31 | C30 | C28 | C24 | 85.7° | 129.9° |
| C31 | C30 | C28 | H15 | 34.1° | 108.9° |
| C31 | C30 | C28 | H16 | 154.5° | 8.8° |
| C31 | C30 | C35 | H20 | 179.6° | 179.8° |
| C30 | C31 | O2 | H32 | 0.4° | 90.0° |
| S66 | C26 | C27 | C25 | 179.2° | 180.0° |
| S66 | C26 | C27 | C22 | 179.5° | 179.2° |
| S66 | C26 | C25 | C24 | 179.7° | 178.7° |
| S66 | C26 | C25 | H13 | 0.3° | 1.3° |
| S66 | C26 | C27 | H14 | 0.5° | 0.7° |
| C26 | S66 | O16 | H42 | 119.8° | 180.0° |
| O16 | S66 | C26 | C27 | 93.3° | 90.0° |
| O16 | S66 | C26 | C25 | 85.9° | 90.0° |
| C46 | C72 | C54 | C53 | 94.8° | 51.4° |
| C46 | C72 | C54 | H39 | 121.1° | 122.5° |
| C46 | C72 | C54 | H40 | 121.1° | 122.6° |
| C46 | C72 | C54 | C55 | 87.8° | 135.4° |
| C72 | C46 | C47 | H27 | 1.0° | 3.6° |
| C46 | C72 | H39 | H40 | 116.6° | 115.1° |
| O32 | S71 | O30 | C52 | 118.2° | 122.9° |
| O32 | S71 | O30 | O31 | 120.3° | 123.0° |
| O32 | S71 | C52 | O31 | 120.0° | 113.5° |
| O32 | S71 | C52 | C53 | 124.1° | 23.6° |
| O32 | S71 | C52 | C51 | 55.1° | 156.4° |
| O32 | S71 | O31 | H46 | 119.1° | 66.5° |
| C26 | C27 | C22 | H14 | 180.0° | 179.9° |
| C26 | C27 | C22 | C14 | 178.4° | 178.2° |
| C26 | C27 | C22 | C23 | 0.3° | 2.8° |
| C27 | C26 | C25 | C24 | 0.4° | 1.3° |
| C27 | C26 | C25 | H13 | 179.5° | 178.7° |
| C27 | C22 | C14 | C23 | 178.0° | 179.1° |
| C27 | C22 | C14 | C12 | 88.8° | 111.4° |
| C22 | C27 | C26 | C25 | 0.3° | 0.8° |
| C27 | C22 | C23 | C24 | 0.8° | 2.6° |
| C27 | C22 | C23 | O3 | 179.8° | 177.5° |
| C27 | C22 | C14 | H2 | 31.9° | 127.8° |
| C27 | C22 | C14 | H3 | 150.5° | 9.3° |
| C22 | C14 | C12 | H2 | 120.7° | 120.8° |
| C22 | C14 | C12 | H3 | 120.7° | 120.7° |
| C14 | C22 | C23 | C24 | 178.8° | 178.3° |
| C14 | C22 | C23 | O3 | 1.8° | 1.6° |
| C22 | C14 | C12 | C11 | 81.8° | 60.7° |
| C22 | C14 | C12 | C13 | 99.4° | 123.0° |
| C22 | C14 | H2 | H3 | 117.8° | 118.5° |
| C14 | C22 | C27 | H14 | 1.6° | 1.8° |
| C12 | C14 | C22 | C23 | 93.2° | 69.5° |
| C14 | C12 | C11 | C13 | 178.8° | 176.2° |
| C14 | C12 | C11 | C10 | 179.4° | 173.4° |
| C14 | C12 | C13 | O4 | 1.1° | 7.6° |
| C14 | C12 | C13 | C8 | 178.8° | 172.3° |
| C14 | C12 | C11 | H1 | 0.6° | 6.9° |
| C12 | C14 | H2 | H3 | 117.8° | 118.5° |
| C26 | C25 | C24 | H13 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.0° | 1.4° |
| C26 | C25 | C24 | C28 | 179.6° | 179.5° |
| C25 | C26 | C27 | H14 | 179.7° | 179.3° |
| C22 | C23 | C24 | C25 | 0.6° | 0.6° |
| C22 | C23 | C24 | O3 | 179.4° | 179.9° |
| C22 | C23 | C24 | C28 | 179.8° | 177.6° |
| C23 | C22 | C14 | H2 | 146.1° | 51.3° |
| C23 | C22 | C14 | H3 | 27.5° | 169.7° |
| C23 | C22 | C27 | H14 | 179.7° | 177.3° |
| C22 | C23 | O3 | H33 | 180.0° | 90.0° |
| C30 | C28 | C24 | C25 | 90.7° | 57.7° |
| C30 | C28 | C24 | C23 | 88.9° | 124.1° |
| C30 | C28 | C24 | H15 | 119.8° | 121.2° |
| C30 | C28 | C24 | H16 | 119.8° | 121.0° |
| C30 | C28 | H15 | H16 | 120.7° | 117.7° |
| C28 | C30 | C35 | H20 | 0.6° | 1.6° |
| O30 | S71 | C52 | O31 | 121.2° | 113.6° |
| O30 | S71 | C52 | C53 | 5.2° | 156.4° |
| O30 | S71 | C52 | C51 | 173.9° | 23.6° |
| O30 | S71 | O31 | H46 | 0.0° | 66.4° |
| C25 | C24 | C23 | C28 | 179.6° | 178.1° |
| C25 | C24 | C23 | O3 | 180.0° | 179.5° |
| C25 | C24 | C28 | H15 | 149.6° | 63.4° |
| C25 | C24 | C28 | H16 | 29.1° | 178.8° |
| C23 | C24 | C25 | H13 | 180.0° | 178.6° |
| C23 | C24 | C28 | H15 | 30.8° | 114.7° |
| C23 | C24 | C28 | H16 | 151.3° | 3.1° |
| C24 | C23 | O3 | H33 | 0.6° | 90.0° |
| O3 | C23 | C24 | C28 | 0.4° | 2.4° |
| C28 | C24 | C25 | H13 | 0.4° | 0.4° |
| C24 | C28 | H15 | H16 | 120.7° | 117.8° |
| S71 | C52 | C53 | C51 | 179.2° | 180.0° |
| S71 | C52 | C53 | C54 | 178.6° | 178.6° |
| S71 | C52 | C51 | C50 | 179.6° | 178.7° |
| S71 | C52 | C51 | H29 | 0.4° | 1.3° |
| S71 | C52 | C53 | H30 | 1.4° | 1.4° |
| C52 | S71 | O31 | H46 | 122.8° | 179.9° |
| O31 | S71 | C52 | C53 | 116.0° | 90.0° |
| O31 | S71 | C52 | C51 | 64.9° | 90.0° |
| C52 | C53 | C54 | H30 | 180.0° | 180.0° |
| C52 | C53 | C54 | C72 | 179.0° | 167.8° |
| C52 | C53 | C54 | C55 | 1.6° | 5.3° |
| C53 | C52 | C51 | C50 | 1.2° | 1.3° |
| C53 | C52 | C51 | H29 | 178.8° | 178.7° |
| C54 | C53 | C52 | C51 | 0.6° | 1.4° |
| C53 | C54 | C72 | C55 | 177.4° | 173.2° |
| C53 | C54 | C55 | C50 | 0.8° | 6.6° |
| C53 | C54 | C55 | O8 | 179.3° | 173.3° |
| C53 | C54 | C72 | H39 | 26.3° | 173.9° |
| C53 | C54 | C72 | H40 | 144.1° | 71.2° |
| C12 | C11 | C10 | H1 | 180.0° | 179.7° |
| C11 | C12 | C13 | O4 | 179.8° | 175.8° |
| C11 | C12 | C13 | C8 | 0.1° | 4.2° |
| C12 | C11 | C10 | S67 | 179.3° | 179.8° |
| C12 | C11 | C10 | C9 | 0.3° | 0.5° |
| C11 | C12 | C14 | H2 | 38.9° | 178.5° |
| C11 | C12 | C14 | H3 | 157.5° | 60.1° |
| C13 | C12 | C11 | C10 | 0.6° | 2.9° |
| C12 | C13 | O4 | C8 | 179.9° | 179.9° |
| C12 | C13 | C8 | C9 | 0.9° | 3.2° |
| C12 | C13 | C8 | C7 | 178.5° | 174.1° |
| C13 | C12 | C11 | H1 | 179.4° | 176.9° |
| C13 | C12 | C14 | H2 | 139.9° | 2.1° |
| C13 | C12 | C14 | H3 | 21.3° | 116.3° |
| C12 | C13 | O4 | H34 | 180.0° | 89.9° |
| C52 | C51 | C50 | H29 | 180.0° | 180.0° |
| C52 | C51 | C50 | C55 | 2.0° | 0.1° |
| C52 | C51 | C50 | C43 | 179.1° | 177.4° |
| C51 | C52 | C53 | H30 | 179.4° | 178.6° |
| C72 | C54 | C55 | C50 | 178.1° | 166.7° |
| C72 | C54 | C55 | O8 | 1.9° | 13.4° |
| C72 | C54 | C53 | H30 | 1.0° | 12.2° |
| C54 | C72 | H39 | H40 | 116.7° | 115.1° |
| O19 | S67 | C10 | C11 | 27.7° | 23.5° |
| O19 | S67 | C10 | O18 | 120.5° | 132.9° |
| O19 | S67 | C10 | O20 | 120.1° | 113.5° |
| O19 | S67 | C10 | C9 | 152.7° | 156.2° |
| O19 | S67 | O18 | O20 | 120.5° | 123.0° |
| O19 | S67 | O20 | H43 | 120.3° | 66.5° |
| C54 | C55 | C50 | C51 | 1.0° | 3.9° |
| C54 | C55 | C50 | O8 | 180.0° | 180.0° |
| C54 | C55 | C50 | C43 | 177.9° | 173.5° |
| C55 | C54 | C53 | H30 | 178.4° | 174.7° |
| C54 | C55 | O8 | H38 | 180.0° | 90.0° |
| C55 | C54 | C72 | H39 | 151.1° | 12.9° |
| C55 | C54 | C72 | H40 | 33.3° | 102.0° |
| C11 | C10 | S67 | C9 | 179.5° | 179.7° |
| C11 | C10 | S67 | O18 | 148.2° | 156.5° |
| C11 | C10 | S67 | O20 | 92.4° | 90.0° |
| C11 | C10 | C9 | C8 | 0.7° | 0.5° |
| C11 | C10 | C9 | H12 | 179.4° | 179.5° |
| C51 | C50 | C55 | C43 | 176.9° | 177.4° |
| C51 | C50 | C55 | O8 | 179.0° | 176.1° |
| C51 | C50 | C43 | C40 | 99.0° | 66.0° |
| C51 | C50 | C43 | H25 | 139.9° | 56.6° |
| C51 | C50 | C43 | H26 | 22.1° | 171.5° |
| C55 | C50 | C43 | C40 | 84.0° | 116.7° |
| C55 | C50 | C43 | H25 | 37.1° | 120.7° |
| C55 | C50 | C43 | H26 | 154.9° | 5.8° |
| C55 | C50 | C51 | H29 | 178.0° | 179.9° |
| C50 | C55 | O8 | H38 | 0.0° | 90.0° |
| O8 | C55 | C50 | C43 | 2.1° | 6.6° |
| C50 | C43 | C40 | H25 | 121.1° | 122.6° |
| C50 | C43 | C40 | H26 | 121.1° | 122.5° |
| C50 | C43 | C40 | C41 | 120.7° | 122.1° |
| C50 | C43 | C40 | C39 | 62.0° | 63.8° |
| C50 | C43 | H25 | H26 | 116.5° | 115.1° |
| C43 | C50 | C51 | H29 | 0.9° | 2.6° |
| O4 | C13 | C8 | C9 | 179.3° | 176.8° |
| O4 | C13 | C8 | C7 | 1.7° | 5.8° |
| O23 | S68 | C6 | C5 | 79.8° | 23.5° |
| O23 | S68 | C6 | O22 | 120.4° | 132.9° |
| O23 | S68 | C6 | O21 | 120.3° | 113.5° |
| O23 | S68 | C6 | C1 | 99.9° | 156.4° |
| O23 | S68 | O22 | O21 | 120.1° | 122.9° |
| O23 | S68 | O21 | H44 | 120.8° | 66.5° |
| C43 | C40 | C41 | O7 | 1.9° | 11.0° |
| C43 | C40 | C41 | C39 | 177.3° | 174.2° |
| C43 | C40 | C41 | C36 | 178.5° | 168.7° |
| C43 | C40 | C39 | C38 | 178.9° | 170.1° |
| C43 | C40 | C39 | H22 | 1.1° | 9.9° |
| C40 | C43 | H25 | H26 | 116.5° | 115.1° |
| C13 | C8 | C9 | C10 | 1.2° | 0.9° |
| C13 | C8 | C9 | C7 | 177.7° | 177.1° |
| C13 | C8 | C7 | C2 | 75.5° | 139.9° |
| C13 | C8 | C7 | H10 | 45.3° | 19.1° |
| C13 | C8 | C7 | H11 | 163.6° | 99.3° |
| C13 | C8 | C9 | H12 | 178.8° | 179.1° |
| C8 | C13 | O4 | H34 | 0.1° | 90.1° |
| C4 | C15 | C16 | H4 | 119.5° | 121.0° |
| C4 | C15 | C16 | H5 | 119.5° | 121.0° |
| C15 | C4 | C5 | C3 | 178.9° | 178.0° |
| C15 | C4 | C5 | C6 | 179.1° | 179.4° |
| C15 | C4 | C3 | O5 | 1.1° | 0.5° |
| C15 | C4 | C3 | C2 | 179.9° | 179.6° |
| C4 | C15 | C16 | C17 | 90.3° | 61.3° |
| C4 | C15 | C16 | C21 | 89.0° | 120.2° |
| C4 | C15 | H4 | H5 | 121.3° | 118.0° |
| C15 | C4 | C5 | H9 | 0.9° | 0.7° |
| C16 | C15 | C4 | C5 | 94.4° | 64.5° |
| C16 | C15 | C4 | C3 | 84.5° | 117.5° |
| C15 | C16 | C17 | C21 | 179.3° | 178.6° |
| C15 | C16 | C21 | O6 | 0.4° | 3.0° |
| C15 | C16 | C17 | C18 | 179.8° | 177.0° |
| C15 | C16 | C21 | C20 | 180.0° | 176.9° |
| C16 | C15 | H4 | H5 | 121.4° | 118.1° |
| C15 | C16 | C17 | H6 | 0.2° | 3.0° |
| C10 | S67 | O18 | O20 | 118.6° | 114.1° |
| S67 | C10 | C9 | C8 | 179.8° | 179.2° |
| S67 | C10 | C11 | H1 | 0.7° | 0.5° |
| S67 | C10 | C9 | H12 | 0.2° | 0.8° |
| C10 | S67 | O20 | H43 | 119.3° | 180.0° |
| C9 | C10 | S67 | O18 | 32.3° | 23.2° |
| C9 | C10 | S67 | O20 | 87.2° | 90.3° |
| C10 | C9 | C8 | H12 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 178.9° | 176.2° |
| C9 | C10 | C11 | H1 | 179.8° | 179.2° |
| O18 | S67 | O20 | H43 | 0.0° | 66.4° |
| C4 | C5 | C6 | H9 | 180.0° | 179.9° |
| C5 | C4 | C3 | O5 | 179.9° | 177.5° |
| C5 | C4 | C3 | C2 | 1.0° | 2.5° |
| C4 | C5 | C6 | S68 | 179.9° | 179.2° |
| C4 | C5 | C6 | C1 | 0.3° | 0.8° |
| C5 | C4 | C15 | H4 | 25.1° | 174.4° |
| C5 | C4 | C15 | H5 | 146.0° | 56.4° |
| C3 | C4 | C5 | C6 | 0.2° | 2.7° |
| C4 | C3 | O5 | C2 | 179.0° | 180.0° |
| C4 | C3 | C2 | C1 | 1.4° | 0.4° |
| C4 | C3 | C2 | C7 | 179.0° | 177.9° |
| C3 | C4 | C15 | H4 | 156.0° | 3.6° |
| C3 | C4 | C15 | H5 | 35.1° | 121.5° |
| C3 | C4 | C5 | H9 | 179.8° | 177.3° |
| C4 | C3 | O5 | H35 | 180.0° | 90.0° |
| C5 | C6 | S68 | C1 | 179.7° | 179.9° |
| C5 | C6 | S68 | O22 | 40.6° | 156.4° |
| C5 | C6 | S68 | O21 | 159.9° | 90.0° |
| C5 | C6 | C1 | C2 | 0.0° | 1.3° |
| C5 | C6 | C1 | H8 | 180.0° | 178.7° |
| O5 | C3 | C2 | C1 | 179.6° | 179.6° |
| O5 | C3 | C2 | C7 | 2.0° | 2.1° |
| O7 | C41 | C40 | C36 | 179.6° | 179.8° |
| O7 | C41 | C40 | C39 | 179.2° | 174.8° |
| O7 | C41 | C36 | C29 | 0.0° | 5.8° |
| O7 | C41 | C36 | C37 | 179.8° | 176.9° |
| C3 | C2 | C7 | C8 | 94.8° | 80.0° |
| C3 | C2 | C1 | C6 | 0.8° | 1.5° |
| C3 | C2 | C1 | C7 | 177.7° | 178.4° |
| C3 | C2 | C1 | H8 | 179.2° | 178.6° |
| C3 | C2 | C7 | H10 | 26.1° | 40.8° |
| C3 | C2 | C7 | H11 | 144.3° | 159.2° |
| C2 | C3 | O5 | H35 | 1.0° | 90.0° |
| C9 | C8 | C7 | C2 | 106.8° | 42.8° |
| C9 | C8 | C7 | H10 | 132.3° | 163.7° |
| C9 | C8 | C7 | H11 | 14.1° | 77.9° |
| C8 | C7 | C2 | C1 | 87.6° | 101.6° |
| C8 | C7 | C2 | H10 | 120.9° | 120.8° |
| C8 | C7 | C2 | H11 | 120.9° | 120.7° |
| C8 | C7 | H10 | H11 | 117.3° | 118.4° |
| C7 | C8 | C9 | H12 | 1.1° | 3.8° |
| C17 | C16 | C21 | O6 | 179.6° | 178.4° |
| C16 | C17 | C18 | H6 | 180.0° | 180.0° |
| C17 | C16 | C21 | C20 | 0.7° | 1.7° |
| C16 | C17 | C18 | S69 | 179.5° | 179.9° |
| C16 | C17 | C18 | C19 | 0.0° | 0.1° |
| C17 | C16 | C15 | H4 | 29.3° | 177.7° |
| C17 | C16 | C15 | H5 | 150.2° | 59.7° |
| C16 | C21 | O6 | C20 | 179.6° | 179.9° |
| C21 | C16 | C17 | C18 | 0.5° | 1.5° |
| C16 | C21 | C20 | C19 | 0.4° | 0.1° |
| C16 | C21 | C20 | C29 | 179.4° | 177.8° |
| C21 | C16 | C15 | H4 | 151.4° | 0.9° |
| C21 | C16 | C15 | H5 | 30.5° | 118.9° |
| C21 | C16 | C17 | H6 | 179.5° | 178.5° |
| C16 | C21 | O6 | H36 | 180.0° | 90.0° |
| C6 | S68 | O22 | O21 | 121.7° | 114.1° |
| S68 | C6 | C1 | C2 | 179.7° | 178.8° |
| S68 | C6 | C1 | H8 | 0.3° | 1.2° |
| S68 | C6 | C5 | H9 | 0.1° | 0.9° |
| C6 | S68 | O21 | H44 | 120.3° | 179.9° |
| C1 | C6 | S68 | O22 | 139.7° | 23.5° |
| C1 | C6 | S68 | O21 | 20.4° | 90.0° |
| C6 | C1 | C2 | H8 | 180.0° | 180.0° |
| C6 | C1 | C2 | C7 | 178.5° | 179.9° |
| C1 | C6 | C5 | H9 | 179.6° | 179.1° |
| O22 | S68 | O21 | H44 | 0.0° | 66.4° |
| O6 | C21 | C20 | C19 | 179.9° | 179.9° |
| O6 | C21 | C20 | C29 | 0.2° | 2.3° |
| C41 | C40 | C39 | C38 | 1.6° | 4.1° |
| C40 | C41 | C36 | C29 | 179.6° | 174.0° |
| C40 | C41 | C36 | C37 | 0.2° | 3.3° |
| C41 | C40 | C39 | H22 | 178.4° | 175.9° |
| C41 | C40 | C43 | H25 | 0.4° | 115.3° |
| C41 | C40 | C43 | H26 | 118.2° | 0.5° |
| C40 | C41 | O7 | H37 | 180.0° | 90.0° |
| C39 | C40 | C41 | C36 | 1.2° | 5.5° |
| C40 | C39 | C38 | H22 | 180.0° | 180.0° |
| C40 | C39 | C38 | C37 | 0.9° | 0.5° |
| C40 | C39 | C38 | S70 | 179.2° | 179.4° |
| C39 | C40 | C43 | H25 | 176.9° | 58.8° |
| C39 | C40 | C43 | H26 | 59.1° | 173.7° |
| C1 | C2 | C7 | H10 | 151.5° | 137.6° |
| C1 | C2 | C7 | H11 | 33.3° | 19.1° |
| C7 | C2 | C1 | H8 | 1.5° | 0.1° |
| C2 | C7 | H10 | H11 | 117.2° | 118.5° |
| C17 | C18 | S69 | O26 | 59.8° | 156.4° |
| C17 | C18 | S69 | C19 | 179.4° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 1.6° |
| C17 | C18 | S69 | O24 | 57.8° | 23.5° |
| C17 | C18 | S69 | O25 | 179.6° | 90.0° |
| C17 | C18 | C19 | H7 | 179.6° | 178.3° |
| C21 | C20 | C19 | C18 | 0.1° | 1.5° |
| C21 | C20 | C19 | C29 | 179.8° | 177.7° |
| C21 | C20 | C29 | C36 | 97.6° | 73.3° |
| C21 | C20 | C19 | H7 | 179.9° | 178.4° |
| C21 | C20 | C29 | H17 | 22.7° | 164.7° |
| C21 | C20 | C29 | H18 | 142.0° | 48.6° |
| C20 | C21 | O6 | H36 | 0.4° | 90.0° |
| C41 | C36 | C29 | C20 | 60.9° | 129.2° |
| C41 | C36 | C29 | C37 | 179.8° | 177.2° |
| C41 | C36 | C37 | C38 | 0.4° | 0.3° |
| C41 | C36 | C29 | H17 | 59.4° | 108.8° |
| C41 | C36 | C29 | H18 | 178.7° | 7.3° |
| C41 | C36 | C37 | H21 | 179.6° | 179.7° |
| C36 | C41 | O7 | H37 | 0.4° | 89.8° |
| O26 | S69 | C18 | O24 | 117.6° | 132.9° |
| O26 | S69 | C18 | O25 | 119.8° | 113.6° |
| O26 | S69 | C18 | C19 | 119.6° | 23.5° |
| O26 | S69 | O24 | O25 | 119.5° | 122.9° |
| O26 | S69 | O25 | H48 | 0.0° | 66.4° |
| C39 | C38 | C37 | C36 | 0.1° | 1.7° |
| C39 | C38 | C37 | S70 | 179.9° | 180.0° |
| C39 | C38 | S70 | O29 | 20.9° | 23.6° |
| C39 | C38 | S70 | O27 | 99.7° | 156.5° |
| C39 | C38 | S70 | O28 | 140.8° | 90.0° |
| C39 | C38 | C37 | H21 | 179.9° | 178.3° |
| S69 | C18 | C19 | C20 | 179.7° | 178.4° |
| C18 | S69 | O24 | O25 | 124.0° | 114.1° |
| S69 | C18 | C17 | H6 | 0.5° | 0.1° |
| S69 | C18 | C19 | H7 | 0.3° | 1.7° |
| C18 | S69 | O25 | H48 | 118.7° | 180.0° |
| C18 | C19 | C20 | H7 | 180.0° | 179.9° |
| C18 | C19 | C20 | C29 | 179.9° | 176.2° |
| C19 | C18 | S69 | O24 | 122.8° | 156.5° |
| C19 | C18 | S69 | O25 | 0.2° | 90.1° |
| C19 | C18 | C17 | H6 | 180.0° | 179.9° |
| C19 | C20 | C29 | C36 | 82.2° | 109.0° |
| C19 | C20 | C29 | H17 | 157.5° | 12.9° |
| C19 | C20 | C29 | H18 | 38.2° | 129.1° |
| C20 | C29 | C36 | H17 | 120.3° | 121.9° |
| C20 | C29 | C36 | H18 | 120.3° | 121.9° |
| C20 | C29 | C36 | C37 | 119.3° | 53.5° |
| C29 | C20 | C19 | H7 | 0.0° | 3.9° |
| C20 | C29 | H17 | H18 | 118.9° | 116.3° |
| O24 | S69 | O25 | H48 | 119.4° | 66.5° |
| C29 | C36 | C37 | C38 | 179.8° | 177.5° |
| C36 | C29 | H17 | H18 | 119.0° | 116.2° |
| C29 | C36 | C37 | H21 | 0.2° | 2.5° |
| C36 | C37 | C38 | H21 | 180.0° | 180.0° |
| C36 | C37 | C38 | S70 | 179.8° | 178.4° |
| C37 | C36 | C29 | H17 | 120.4° | 68.4° |
| C37 | C36 | C29 | H18 | 1.1° | 175.5° |
| C37 | C38 | S70 | O29 | 159.2° | 156.4° |
| C37 | C38 | S70 | O27 | 80.2° | 23.6° |
| C37 | C38 | S70 | O28 | 39.3° | 90.0° |
| C37 | C38 | C39 | H22 | 179.1° | 179.5° |
| C38 | S70 | O29 | O27 | 121.0° | 122.9° |
| C38 | S70 | O29 | O28 | 121.2° | 114.2° |
| C38 | S70 | O27 | O28 | 120.3° | 114.1° |
| S70 | C38 | C37 | H21 | 0.2° | 1.6° |
| S70 | C38 | C39 | H22 | 0.8° | 0.5° |
| C38 | S70 | O28 | H47 | 122.2° | 180.0° |
| O29 | S70 | O27 | O28 | 117.2° | 123.0° |
| O29 | S70 | O28 | H47 | 0.0° | 66.4° |
| O27 | S70 | O28 | H47 | 117.8° | 66.5° |
