K62
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O45 | C46 | doub | 1.21Å | 1.22Å | |
| C46 | C47 | sing | 1.51Å | 1.50Å | |
| C46 | C41 | sing | 1.47Å | 1.50Å | |
| C41 | C40 | doub | 1.40Å | 1.39Å | Aromatic |
| C41 | C42 | sing | 1.40Å | 1.40Å | Aromatic |
| C40 | C45 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| C44 | C43 | sing | 1.39Å | 1.40Å | Aromatic |
| C42 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C43 | N24 | sing | 1.40Å | 1.41Å | |
| N24 | C26 | sing | 1.34Å | 1.33Å | |
| N24 | C25 | sing | 1.47Å | 1.46Å | |
| C26 | O27 | doub | 1.22Å | 1.22Å | |
| C26 | O28 | sing | 1.34Å | 1.44Å | |
| O28 | C29 | sing | 1.46Å | 1.43Å | |
| C25 | C29 | sing | 1.54Å | 1.55Å | |
| C29 | C21 | sing | 1.51Å | 1.50Å | |
| C21 | O22 | doub | 1.21Å | 1.22Å | |
| C21 | N20 | sing | 1.35Å | 1.35Å | |
| N20 | C19 | sing | 1.46Å | 1.47Å | |
| C19 | C32 | sing | 1.53Å | 1.54Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C32 | C38 | sing | 1.51Å | 1.53Å | |
| C38 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | O18 | sing | 1.43Å | 1.45Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | N11 | sing | 1.46Å | 1.49Å | |
| N11 | C12 | sing | 1.47Å | 1.49Å | |
| N11 | S8 | sing | 1.66Å | 1.63Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| S8 | O9 | doub | 1.42Å | 1.43Å | |
| S8 | O10 | doub | 1.42Å | 1.45Å | |
| S8 | C5 | sing | 1.76Å | 1.62Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | O29 | sing | 1.37Å | 1.37Å | |
| C3 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| O29 | C18 | sing | 1.44Å | 1.44Å | |
| C2 | O19 | sing | 1.37Å | 1.36Å | |
| O19 | C18 | sing | 1.44Å | 1.44Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C47 | H47B | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| O18 | HO18 | sing | 0.97Å | 0.95Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O45 | C46 | C47 | 121.5° | 120.0° |
| O45 | C46 | C41 | 118.5° | 120.0° |
| C47 | C46 | C41 | 120.0° | 120.0° |
| C46 | C47 | H47 | 109.5° | 109.5° |
| C46 | C47 | H47A | 109.5° | 109.5° |
| C46 | C47 | H47B | 109.4° | 109.4° |
| C46 | C41 | C40 | 120.1° | 120.1° |
| C46 | C41 | C42 | 119.7° | 120.1° |
| C40 | C41 | C42 | 120.2° | 119.8° |
| C41 | C40 | C45 | 119.5° | 119.9° |
| C41 | C40 | H40 | 120.3° | 120.0° |
| C41 | C42 | C43 | 120.8° | 119.7° |
| C41 | C42 | H42 | 119.6° | 120.2° |
| C40 | C45 | C44 | 120.5° | 120.3° |
| C45 | C40 | H40 | 120.2° | 120.1° |
| C40 | C45 | H45 | 119.8° | 119.8° |
| C45 | C44 | C43 | 121.0° | 120.3° |
| C44 | C45 | H45 | 119.8° | 119.9° |
| C45 | C44 | H44 | 119.5° | 119.9° |
| C44 | C43 | C42 | 118.1° | 120.0° |
| C44 | C43 | N24 | 121.3° | 120.0° |
| C43 | C44 | H44 | 119.5° | 119.9° |
| C42 | C43 | N24 | 120.6° | 120.0° |
| C43 | C42 | H42 | 119.6° | 120.1° |
| C43 | N24 | C26 | 124.9° | 125.5° |
| C43 | N24 | C25 | 122.7° | 125.6° |
| C26 | N24 | C25 | 112.4° | 108.9° |
| N24 | C26 | O27 | 129.4° | 123.0° |
| N24 | C26 | O28 | 110.5° | 113.9° |
| N24 | C25 | C29 | 101.9° | 103.8° |
| N24 | C25 | H25 | 112.1° | 110.6° |
| N24 | C25 | H25A | 113.7° | 110.6° |
| O27 | C26 | O28 | 120.1° | 123.1° |
| C26 | O28 | C29 | 106.9° | 109.4° |
| O28 | C29 | C25 | 106.8° | 104.0° |
| O28 | C29 | C21 | 113.6° | 110.5° |
| O28 | C29 | H29 | 107.9° | 110.5° |
| C25 | C29 | C21 | 107.4° | 110.7° |
| C29 | C25 | H25 | 112.1° | 110.7° |
| C29 | C25 | H25A | 113.7° | 110.4° |
| C25 | C29 | H29 | 114.1° | 110.3° |
| C29 | C21 | O22 | 117.1° | 119.9° |
| C29 | C21 | N20 | 118.4° | 120.0° |
| C21 | C29 | H29 | 107.3° | 110.5° |
| O22 | C21 | N20 | 124.5° | 120.0° |
| C21 | N20 | C19 | 122.5° | 120.0° |
| C21 | N20 | HN20 | 118.7° | 120.0° |
| N20 | C19 | C32 | 102.2° | 109.5° |
| N20 | C19 | C17 | 114.0° | 109.5° |
| C19 | N20 | HN20 | 118.8° | 120.0° |
| N20 | C19 | H19 | 113.2° | 109.5° |
| C32 | C19 | C17 | 114.3° | 109.5° |
| C19 | C32 | C38 | 109.8° | 109.5° |
| C32 | C19 | H19 | 112.9° | 109.5° |
| C19 | C32 | H32 | 109.4° | 109.5° |
| C19 | C32 | H32A | 109.3° | 109.4° |
| C19 | C17 | O18 | 112.5° | 109.5° |
| C19 | C17 | C16 | 109.7° | 109.5° |
| C17 | C19 | H19 | 100.8° | 109.5° |
| C19 | C17 | H17 | 107.4° | 109.5° |
| C32 | C38 | C37 | 121.5° | 120.0° |
| C32 | C38 | C33 | 120.3° | 120.0° |
| C38 | C32 | H32 | 109.4° | 109.5° |
| C38 | C32 | H32A | 109.3° | 109.5° |
| C37 | C38 | C33 | 118.2° | 120.0° |
| C38 | C37 | C36 | 120.6° | 120.0° |
| C38 | C37 | H37 | 119.7° | 119.9° |
| C38 | C33 | C34 | 120.9° | 120.0° |
| C38 | C33 | H33 | 119.5° | 120.1° |
| C37 | C36 | C35 | 120.7° | 120.0° |
| C36 | C37 | H37 | 119.7° | 120.0° |
| C37 | C36 | H36 | 119.7° | 120.0° |
| C36 | C35 | C34 | 118.8° | 120.0° |
| C35 | C36 | H36 | 119.7° | 120.0° |
| C36 | C35 | H35 | 120.6° | 120.0° |
| C35 | C34 | C33 | 120.7° | 120.0° |
| C34 | C35 | H35 | 120.6° | 120.0° |
| C35 | C34 | H34 | 119.7° | 120.0° |
| C33 | C34 | H34 | 119.6° | 120.0° |
| C34 | C33 | H33 | 119.5° | 120.0° |
| O18 | C17 | C16 | 109.9° | 109.4° |
| O18 | C17 | H17 | 107.2° | 109.5° |
| C17 | O18 | HO18 | 109.5° | 114.0° |
| C17 | C16 | N11 | 111.6° | 109.5° |
| C16 | C17 | H17 | 110.2° | 109.5° |
| C17 | C16 | H16 | 108.8° | 109.4° |
| C17 | C16 | H16A | 108.3° | 109.5° |
| C16 | N11 | C12 | 112.8° | 120.0° |
| C16 | N11 | S8 | 114.8° | 120.0° |
| N11 | C16 | H16 | 108.7° | 109.5° |
| N11 | C16 | H16A | 108.3° | 109.5° |
| C12 | N11 | S8 | 114.3° | 120.0° |
| N11 | C12 | C13 | 110.9° | 109.5° |
| N11 | C12 | H12 | 109.0° | 109.5° |
| N11 | C12 | H12A | 108.7° | 109.4° |
| N11 | S8 | O9 | 105.7° | 106.4° |
| N11 | S8 | O10 | 108.3° | 106.4° |
| N11 | S8 | C5 | 110.6° | 107.2° |
| C12 | C13 | C15 | 110.1° | 109.5° |
| C12 | C13 | C14 | 111.6° | 109.5° |
| C13 | C12 | H12 | 109.0° | 109.5° |
| C13 | C12 | H12A | 108.7° | 109.5° |
| C12 | C13 | H13 | 107.7° | 109.5° |
| C15 | C13 | C14 | 109.9° | 109.5° |
| C15 | C13 | H13 | 109.5° | 109.5° |
| C13 | C15 | H15 | 109.5° | 109.5° |
| C13 | C15 | H15A | 109.5° | 109.5° |
| C13 | C15 | H15B | 109.5° | 109.4° |
| C14 | C13 | H13 | 108.0° | 109.4° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.5° | 109.5° |
| C13 | C14 | H14B | 109.5° | 109.4° |
| O9 | S8 | O10 | 111.6° | 123.2° |
| O9 | S8 | C5 | 109.3° | 106.4° |
| O10 | S8 | C5 | 111.2° | 106.4° |
| S8 | C5 | C6 | 119.1° | 120.0° |
| S8 | C5 | C4 | 122.0° | 119.9° |
| C6 | C5 | C4 | 118.8° | 120.1° |
| C5 | C6 | C7 | 121.1° | 120.1° |
| C5 | C6 | H6 | 119.5° | 119.9° |
| C5 | C4 | C3 | 119.6° | 120.0° |
| C5 | C4 | H4 | 120.2° | 120.0° |
| C6 | C7 | C2 | 118.9° | 120.1° |
| C7 | C6 | H6 | 119.5° | 120.0° |
| C6 | C7 | H7 | 120.5° | 119.9° |
| C7 | C2 | C3 | 121.1° | 119.8° |
| C7 | C2 | O19 | 128.9° | 131.5° |
| C2 | C7 | H7 | 120.5° | 120.0° |
| C4 | C3 | O29 | 130.5° | 131.6° |
| C4 | C3 | C2 | 120.6° | 119.8° |
| C3 | C4 | H4 | 120.2° | 120.0° |
| O29 | C3 | C2 | 108.9° | 108.6° |
| C3 | O29 | C18 | 108.1° | 105.5° |
| C3 | C2 | O19 | 110.0° | 108.6° |
| O29 | C18 | O19 | 105.1° | 103.8° |
| O29 | C18 | H18 | 111.0° | 110.5° |
| O29 | C18 | H18A | 111.9° | 110.6° |
| C2 | O19 | C18 | 107.8° | 105.5° |
| O19 | C18 | H18 | 111.0° | 110.6° |
| O19 | C18 | H18A | 111.9° | 110.6° |
| H47 | C47 | H47A | 109.5° | 109.5° |
| H47 | C47 | H47B | 109.5° | 109.5° |
| H47A | C47 | H47B | 109.5° | 109.5° |
| H25 | C25 | H25A | 103.8° | 110.6° |
| H32 | C32 | H32A | 109.7° | 109.5° |
| H16 | C16 | H16A | 111.2° | 109.5° |
| H12 | C12 | H12A | 110.6° | 109.5° |
| H15 | C15 | H15A | 109.4° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.4° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H18 | C18 | H18A | 106.1° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O45 | C46 | C47 | C41 | 180.0° | 179.7° |
| O45 | C46 | C41 | C40 | 166.7° | 180.0° |
| O45 | C46 | C41 | C42 | 12.6° | 0.2° |
| O45 | C46 | C47 | H47 | 31.4° | 0.0° |
| O45 | C46 | C47 | H47A | 151.4° | 120.0° |
| O45 | C46 | C47 | H47B | 88.6° | 120.0° |
| C47 | C46 | C41 | C40 | 13.2° | 0.3° |
| C47 | C46 | C41 | C42 | 167.4° | 179.4° |
| C46 | C47 | H47 | H47A | 120.0° | 120.0° |
| C46 | C47 | H47 | H47B | 120.0° | 120.0° |
| C46 | C47 | H47A | H47B | 120.0° | 119.9° |
| C46 | C41 | C40 | C42 | 179.3° | 179.8° |
| C46 | C41 | C40 | C45 | 179.8° | 180.0° |
| C46 | C41 | C42 | C43 | 179.9° | 179.7° |
| C41 | C46 | C47 | H47 | 148.6° | 179.7° |
| C41 | C46 | C47 | H47A | 28.5° | 59.7° |
| C41 | C46 | C47 | H47B | 91.5° | 60.3° |
| C46 | C41 | C40 | H40 | 0.2° | 0.0° |
| C46 | C41 | C42 | H42 | 0.1° | 0.1° |
| C41 | C40 | C45 | H40 | 180.0° | 180.0° |
| C41 | C40 | C45 | C44 | 1.0° | 0.0° |
| C40 | C41 | C42 | C43 | 0.8° | 0.6° |
| C41 | C40 | C45 | H45 | 179.0° | 180.0° |
| C40 | C41 | C42 | H42 | 179.3° | 179.7° |
| C42 | C41 | C40 | C45 | 0.9° | 0.2° |
| C41 | C42 | C43 | C44 | 0.7° | 0.6° |
| C41 | C42 | C43 | H42 | 180.0° | 179.7° |
| C41 | C42 | C43 | N24 | 179.5° | 179.8° |
| C42 | C41 | C40 | H40 | 179.1° | 179.8° |
| C40 | C45 | C44 | H45 | 180.0° | 179.9° |
| C40 | C45 | C44 | C43 | 1.0° | 0.0° |
| C40 | C45 | C44 | H44 | 179.0° | 180.0° |
| C45 | C44 | C43 | H44 | 180.0° | 180.0° |
| C45 | C44 | C43 | C42 | 0.8° | 0.3° |
| C45 | C44 | C43 | N24 | 179.3° | 180.0° |
| C44 | C45 | C40 | H40 | 179.0° | 180.0° |
| C44 | C43 | C42 | N24 | 179.9° | 179.6° |
| C44 | C43 | N24 | C26 | 27.7° | 180.0° |
| C44 | C43 | N24 | C25 | 150.7° | 0.4° |
| C43 | C44 | C45 | H45 | 179.0° | 179.9° |
| C44 | C43 | C42 | H42 | 179.3° | 179.7° |
| C42 | C43 | N24 | C26 | 152.5° | 0.4° |
| C42 | C43 | N24 | C25 | 29.1° | 180.0° |
| C42 | C43 | C44 | H44 | 179.2° | 179.7° |
| C43 | N24 | C26 | C25 | 178.6° | 179.7° |
| C43 | N24 | C26 | O27 | 0.3° | 0.1° |
| C43 | N24 | C26 | O28 | 178.1° | 180.0° |
| C43 | N24 | C25 | C29 | 171.2° | 179.9° |
| N24 | C43 | C44 | H44 | 0.7° | 0.0° |
| N24 | C43 | C42 | H42 | 0.5° | 0.0° |
| C43 | N24 | C25 | H25 | 51.2° | 61.4° |
| C43 | N24 | C25 | H25A | 66.1° | 61.5° |
| N24 | C26 | O27 | O28 | 178.2° | 179.9° |
| N24 | C26 | O28 | C29 | 7.4° | 0.0° |
| C26 | N24 | C25 | C29 | 7.4° | 0.4° |
| C26 | N24 | C25 | H25 | 127.4° | 118.3° |
| C26 | N24 | C25 | H25A | 115.3° | 118.8° |
| C25 | N24 | C26 | O27 | 178.8° | 179.7° |
| C25 | N24 | C26 | O28 | 0.5° | 0.3° |
| N24 | C25 | C29 | O28 | 11.6° | 0.4° |
| N24 | C25 | C29 | H25 | 120.0° | 118.7° |
| N24 | C25 | C29 | H25A | 122.7° | 118.5° |
| N24 | C25 | C29 | C21 | 133.7° | 118.4° |
| N24 | C25 | H25 | H25A | 123.1° | 122.9° |
| N24 | C25 | C29 | H29 | 107.5° | 119.0° |
| O27 | C26 | O28 | C29 | 171.1° | 180.0° |
| C26 | O28 | C29 | C25 | 11.7° | 0.2° |
| C26 | O28 | C29 | C21 | 129.9° | 118.7° |
| C26 | O28 | C29 | H29 | 111.3° | 118.6° |
| O28 | C29 | C25 | C21 | 122.1° | 118.8° |
| O28 | C29 | C25 | H29 | 119.1° | 118.6° |
| O28 | C29 | C21 | H29 | 119.1° | 122.7° |
| O28 | C29 | C21 | O22 | 176.4° | 3.5° |
| O28 | C29 | C21 | N20 | 4.2° | 176.4° |
| O28 | C29 | C25 | H25 | 131.6° | 118.3° |
| O28 | C29 | C25 | H25A | 111.2° | 118.9° |
| C25 | C29 | C21 | H29 | 123.0° | 122.5° |
| C25 | C29 | C21 | O22 | 65.8° | 111.2° |
| C25 | C29 | C21 | N20 | 113.7° | 68.8° |
| C29 | C25 | H25 | H25A | 123.1° | 122.7° |
| C29 | C21 | O22 | N20 | 179.4° | 180.0° |
| C29 | C21 | N20 | C19 | 173.9° | 180.0° |
| C21 | C29 | C25 | H25 | 106.3° | 122.9° |
| C21 | C29 | C25 | H25A | 11.0° | 0.1° |
| C29 | C21 | N20 | HN20 | 6.0° | 0.0° |
| O22 | C21 | N20 | C19 | 5.4° | 0.0° |
| O22 | C21 | C29 | H29 | 57.3° | 126.3° |
| O22 | C21 | N20 | HN20 | 174.6° | 179.9° |
| C21 | N20 | C19 | HN20 | 180.0° | 180.0° |
| C21 | N20 | C19 | C32 | 123.3° | 85.0° |
| C21 | N20 | C19 | C17 | 112.8° | 155.0° |
| N20 | C21 | C29 | H29 | 123.3° | 53.7° |
| C21 | N20 | C19 | H19 | 1.6° | 35.0° |
| N20 | C19 | C32 | C17 | 123.6° | 120.0° |
| N20 | C19 | C32 | H19 | 121.9° | 120.0° |
| N20 | C19 | C17 | H19 | 121.6° | 120.0° |
| N20 | C19 | C32 | C38 | 53.3° | 65.0° |
| N20 | C19 | C17 | O18 | 70.5° | 65.0° |
| N20 | C19 | C17 | C16 | 167.0° | 175.0° |
| N20 | C19 | C32 | H32 | 66.7° | 55.0° |
| N20 | C19 | C32 | H32A | 173.2° | 175.0° |
| N20 | C19 | C17 | H17 | 47.2° | 55.0° |
| C32 | C19 | C17 | H19 | 121.3° | 120.0° |
| C19 | C32 | C38 | H32 | 120.0° | 120.0° |
| C19 | C32 | C38 | H32A | 119.8° | 120.0° |
| C19 | C32 | C38 | C37 | 71.3° | 90.0° |
| C19 | C32 | C38 | C33 | 107.5° | 90.3° |
| C32 | C19 | C17 | O18 | 46.6° | 55.0° |
| C32 | C19 | C17 | C16 | 76.0° | 65.0° |
| C32 | C19 | N20 | HN20 | 56.7° | 95.0° |
| C19 | C32 | H32 | H32A | 119.8° | 120.0° |
| C32 | C19 | C17 | H17 | 164.3° | 175.0° |
| C17 | C19 | C32 | C38 | 177.0° | 175.0° |
| C19 | C17 | O18 | C16 | 122.5° | 120.0° |
| C19 | C17 | O18 | H17 | 117.8° | 120.0° |
| C19 | C17 | C16 | H17 | 118.0° | 120.0° |
| C19 | C17 | C16 | N11 | 66.0° | 174.3° |
| C17 | C19 | N20 | HN20 | 67.2° | 25.0° |
| C17 | C19 | C32 | H32 | 57.0° | 65.0° |
| C17 | C19 | C32 | H32A | 63.2° | 55.0° |
| C19 | C17 | O18 | HO18 | 20.0° | 63.2° |
| C19 | C17 | C16 | H16 | 54.0° | 54.3° |
| C19 | C17 | C16 | H16A | 174.9° | 65.6° |
| C32 | C38 | C37 | C33 | 178.8° | 179.7° |
| C32 | C38 | C37 | C36 | 179.0° | 180.0° |
| C32 | C38 | C33 | C34 | 178.9° | 179.8° |
| C38 | C32 | C19 | H19 | 68.6° | 55.0° |
| C38 | C32 | H32 | H32A | 119.9° | 120.0° |
| C32 | C38 | C37 | H37 | 1.0° | 0.0° |
| C32 | C38 | C33 | H33 | 1.1° | 0.0° |
| C38 | C37 | C36 | H37 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 0.6° | 0.0° |
| C37 | C38 | C33 | C34 | 0.1° | 0.5° |
| C37 | C38 | C32 | H32 | 168.7° | 30.0° |
| C37 | C38 | C32 | H32A | 48.6° | 150.0° |
| C38 | C37 | C36 | H36 | 179.4° | 180.0° |
| C37 | C38 | C33 | H33 | 179.9° | 179.8° |
| C33 | C38 | C37 | C36 | 0.2° | 0.3° |
| C38 | C33 | C34 | C35 | 0.4° | 0.4° |
| C38 | C33 | C34 | H33 | 180.0° | 179.8° |
| C33 | C38 | C32 | H32 | 12.5° | 149.7° |
| C33 | C38 | C32 | H32A | 132.7° | 29.7° |
| C33 | C38 | C37 | H37 | 179.8° | 179.8° |
| C38 | C33 | C34 | H34 | 179.6° | 179.7° |
| C37 | C36 | C35 | H36 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 0.9° | 0.0° |
| C37 | C36 | C35 | H35 | 179.1° | 180.0° |
| C36 | C35 | C34 | H35 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.7° | 0.2° |
| C35 | C36 | C37 | H37 | 179.4° | 180.0° |
| C36 | C35 | C34 | H34 | 179.2° | 180.0° |
| C35 | C34 | C33 | H34 | 180.0° | 179.8° |
| C34 | C35 | C36 | H36 | 179.1° | 180.0° |
| C35 | C34 | C33 | H33 | 179.6° | 179.8° |
| C33 | C34 | C35 | H35 | 179.3° | 179.8° |
| O18 | C17 | C16 | H17 | 117.9° | 120.0° |
| O18 | C17 | C16 | N11 | 169.9° | 65.7° |
| O18 | C17 | C19 | H19 | 167.9° | 175.0° |
| O18 | C17 | C16 | H16 | 70.1° | 174.3° |
| O18 | C17 | C16 | H16A | 50.8° | 54.4° |
| C17 | C16 | N11 | H16 | 120.0° | 120.0° |
| C17 | C16 | N11 | H16A | 119.1° | 120.0° |
| C17 | C16 | N11 | C12 | 107.4° | 66.9° |
| C17 | C16 | N11 | S8 | 119.3° | 113.2° |
| C16 | C17 | C19 | H19 | 45.3° | 55.0° |
| C16 | C17 | O18 | HO18 | 142.5° | 56.8° |
| C17 | C16 | H16 | H16A | 119.1° | 120.0° |
| C16 | N11 | C12 | S8 | 133.6° | 180.0° |
| C16 | N11 | C12 | C13 | 74.9° | 85.0° |
| C16 | N11 | S8 | O9 | 159.8° | 164.1° |
| C16 | N11 | S8 | O10 | 40.1° | 31.1° |
| C16 | N11 | S8 | C5 | 82.0° | 82.4° |
| N11 | C16 | C17 | H17 | 52.0° | 54.3° |
| N11 | C16 | H16 | H16A | 119.1° | 120.0° |
| C16 | N11 | C12 | H12 | 165.1° | 155.0° |
| C16 | N11 | C12 | H12A | 44.5° | 35.0° |
| N11 | C12 | C13 | H12 | 120.0° | 120.0° |
| N11 | C12 | C13 | H12A | 119.4° | 120.0° |
| N11 | C12 | C13 | C15 | 177.1° | 65.0° |
| N11 | C12 | C13 | C14 | 60.5° | 175.0° |
| C12 | N11 | S8 | O9 | 67.5° | 15.9° |
| C12 | N11 | S8 | O10 | 172.8° | 148.8° |
| C12 | N11 | S8 | C5 | 50.7° | 97.6° |
| C12 | N11 | C16 | H16 | 132.6° | 53.1° |
| C12 | N11 | C16 | H16A | 11.7° | 173.1° |
| N11 | C12 | H12 | H12A | 119.4° | 120.0° |
| N11 | C12 | C13 | H13 | 57.8° | 55.0° |
| S8 | N11 | C12 | C13 | 151.4° | 95.0° |
| N11 | S8 | O9 | O10 | 117.5° | 122.9° |
| N11 | S8 | O9 | C5 | 119.1° | 114.1° |
| N11 | S8 | O10 | C5 | 121.7° | 114.1° |
| N11 | S8 | C5 | C6 | 88.3° | 83.8° |
| N11 | S8 | C5 | C4 | 90.0° | 96.5° |
| S8 | N11 | C16 | H16 | 0.7° | 126.8° |
| S8 | N11 | C16 | H16A | 121.6° | 6.8° |
| S8 | N11 | C12 | H12 | 31.5° | 25.0° |
| S8 | N11 | C12 | H12A | 89.1° | 145.0° |
| C12 | C13 | C15 | C14 | 123.4° | 120.0° |
| C12 | C13 | C15 | H13 | 118.2° | 120.0° |
| C12 | C13 | C14 | H13 | 118.2° | 120.0° |
| C13 | C12 | H12 | H12A | 119.4° | 120.0° |
| C12 | C13 | C15 | H15 | 103.0° | 60.0° |
| C12 | C13 | C15 | H15A | 137.0° | 180.0° |
| C12 | C13 | C15 | H15B | 17.0° | 60.0° |
| C12 | C13 | C14 | H14 | 16.2° | 60.0° |
| C12 | C13 | C14 | H14A | 103.9° | 180.0° |
| C12 | C13 | C14 | H14B | 136.1° | 60.0° |
| C15 | C13 | C14 | H13 | 119.4° | 120.0° |
| C15 | C13 | C12 | H12 | 62.9° | 55.0° |
| C15 | C13 | C12 | H12A | 57.7° | 175.0° |
| C13 | C15 | H15 | H15A | 120.0° | 120.0° |
| C13 | C15 | H15 | H15B | 120.0° | 119.9° |
| C13 | C15 | H15A | H15B | 120.0° | 119.9° |
| C15 | C13 | C14 | H14 | 138.7° | 180.0° |
| C15 | C13 | C14 | H14A | 18.6° | 59.9° |
| C15 | C13 | C14 | H14B | 101.4° | 60.0° |
| C14 | C13 | C12 | H12 | 59.4° | 65.0° |
| C14 | C13 | C12 | H12A | 179.9° | 55.0° |
| C14 | C13 | C15 | H15 | 133.6° | 60.1° |
| C14 | C13 | C15 | H15A | 13.6° | 60.0° |
| C14 | C13 | C15 | H15B | 106.4° | 180.0° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14B | 120.0° | 119.9° |
| C13 | C14 | H14A | H14B | 120.0° | 120.0° |
| O9 | S8 | O10 | C5 | 122.4° | 123.0° |
| O9 | S8 | C5 | C6 | 155.8° | 29.7° |
| O9 | S8 | C5 | C4 | 26.0° | 150.0° |
| O10 | S8 | C5 | C6 | 32.1° | 162.7° |
| O10 | S8 | C5 | C4 | 149.7° | 17.0° |
| S8 | C5 | C6 | C4 | 178.3° | 179.7° |
| S8 | C5 | C6 | C7 | 178.2° | 180.0° |
| S8 | C5 | C4 | C3 | 177.9° | 180.0° |
| S8 | C5 | C6 | H6 | 1.8° | 0.0° |
| S8 | C5 | C4 | H4 | 2.1° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.2° | 0.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.3° |
| C5 | C6 | C7 | H7 | 179.8° | 180.0° |
| C6 | C5 | C4 | H4 | 179.7° | 179.7° |
| C4 | C5 | C6 | C7 | 0.1° | 0.3° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | O29 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.1° |
| C4 | C5 | C6 | H6 | 179.9° | 179.7° |
| C6 | C7 | C2 | H7 | 180.0° | 180.0° |
| C6 | C7 | C2 | C3 | 0.3° | 0.2° |
| C6 | C7 | C2 | O19 | 179.4° | 180.0° |
| C7 | C2 | C3 | C4 | 0.1° | 0.2° |
| C7 | C2 | C3 | O29 | 179.8° | 179.7° |
| C7 | C2 | C3 | O19 | 179.8° | 179.8° |
| C7 | C2 | O19 | C18 | 177.3° | 162.4° |
| C2 | C7 | C6 | H6 | 179.8° | 179.9° |
| C4 | C3 | O29 | C2 | 179.8° | 179.9° |
| C4 | C3 | O29 | C18 | 177.0° | 162.7° |
| C4 | C3 | C2 | O19 | 179.7° | 180.0° |
| O29 | C3 | C2 | O19 | 0.5° | 0.1° |
| C3 | O29 | C18 | O19 | 4.5° | 27.2° |
| O29 | C3 | C4 | H4 | 0.0° | 0.0° |
| C3 | O29 | C18 | H18 | 115.6° | 91.5° |
| C3 | O29 | C18 | H18A | 126.1° | 145.7° |
| C2 | C3 | O29 | C18 | 3.2° | 17.2° |
| C3 | C2 | O19 | C18 | 2.4° | 17.4° |
| C3 | C2 | C7 | H7 | 179.8° | 179.8° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| O29 | C18 | O19 | C2 | 4.2° | 27.2° |
| O29 | C18 | O19 | H18 | 120.0° | 118.5° |
| O29 | C18 | O19 | H18A | 121.7° | 118.6° |
| O29 | C18 | H18 | H18A | 121.8° | 122.8° |
| O19 | C2 | C7 | H7 | 0.5° | 0.1° |
| C2 | O19 | C18 | H18 | 115.8° | 91.3° |
| C2 | O19 | C18 | H18A | 125.9° | 145.8° |
| O19 | C18 | H18 | H18A | 121.8° | 122.8° |
| H47 | C47 | H47A | H47B | 120.0° | 120.1° |
| H40 | C40 | C45 | H45 | 1.0° | 0.0° |
| H45 | C45 | C44 | H44 | 1.0° | 0.1° |
| H25 | C25 | C29 | H29 | 12.5° | 0.3° |
| H25A | C25 | C29 | H29 | 129.8° | 122.6° |
| HN20 | N20 | C19 | H19 | 178.3° | 145.0° |
| H19 | C19 | C32 | H32 | 171.4° | 175.0° |
| H19 | C19 | C32 | H32A | 51.3° | 65.0° |
| H19 | C19 | C17 | H17 | 74.4° | 65.0° |
| H37 | C37 | C36 | H36 | 0.6° | 0.0° |
| H36 | C36 | C35 | H35 | 0.9° | 0.0° |
| H35 | C35 | C34 | H34 | 0.8° | 0.0° |
| H34 | C34 | C33 | H33 | 0.4° | 0.0° |
| H17 | C17 | O18 | HO18 | 97.8° | 176.8° |
| H17 | C17 | C16 | H16 | 172.0° | 65.7° |
| H17 | C17 | C16 | H16A | 67.1° | 174.3° |
| H12 | C12 | C13 | H13 | 177.8° | 175.0° |
| H12A | C12 | C13 | H13 | 61.6° | 65.0° |
| H13 | C13 | C15 | H15 | 15.2° | NaN° |
| H13 | C13 | C15 | H15A | 104.8° | 60.0° |
| H13 | C13 | C15 | H15B | 135.2° | 60.0° |
| H13 | C13 | C14 | H14 | 102.0° | 60.1° |
| H13 | C13 | C14 | H14A | 138.0° | 60.0° |
| H13 | C13 | C14 | H14B | 18.0° | 180.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| H6 | C6 | C7 | H7 | 0.2° | 0.0° |
