K53
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.39Å | 1.36Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | O19 | sing | 1.37Å | 1.36Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | O29 | sing | 1.37Å | 1.37Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.63Å | |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| S8 | O9 | doub | 1.42Å | 1.43Å | |
| S8 | O10 | doub | 1.42Å | 1.43Å | |
| S8 | N11 | sing | 1.66Å | 1.62Å | |
| N11 | C12 | sing | 1.46Å | 1.49Å | |
| N11 | C16 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | O18 | sing | 1.43Å | 1.44Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | O19 | sing | 1.44Å | 1.45Å | |
| C18 | O29 | sing | 1.44Å | 1.43Å | |
| C19 | N20 | sing | 1.47Å | 1.46Å | |
| C19 | C32 | sing | 1.53Å | 1.54Å | |
| N20 | C21 | sing | 1.35Å | 1.34Å | |
| C21 | O22 | doub | 1.21Å | 1.22Å | |
| C21 | C29 | sing | 1.51Å | 1.51Å | |
| N24 | C25 | sing | 1.47Å | 1.47Å | |
| N24 | C26 | sing | 1.34Å | 1.32Å | |
| N24 | C43 | sing | 1.40Å | 1.40Å | |
| C25 | C29 | sing | 1.54Å | 1.53Å | |
| C26 | O27 | doub | 1.21Å | 1.22Å | |
| C26 | O28 | sing | 1.34Å | 1.43Å | |
| O28 | C29 | sing | 1.46Å | 1.44Å | |
| C32 | C38 | sing | 1.51Å | 1.51Å | |
| C33 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C40 | C45 | sing | 1.38Å | 1.40Å | Aromatic |
| C41 | C42 | sing | 1.39Å | 1.40Å | Aromatic |
| C42 | C43 | doub | 1.39Å | 1.38Å | Aromatic |
| C42 | O46 | sing | 1.36Å | 1.37Å | |
| C43 | C44 | sing | 1.39Å | 1.39Å | Aromatic |
| C44 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | 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 | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| O18 | HO18 | sing | 0.97Å | 0.95Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| O46 | HO46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C7 | 121.2° | 119.9° |
| C3 | C2 | O19 | 109.0° | 108.6° |
| C2 | C3 | C4 | 121.2° | 119.8° |
| C2 | C3 | O29 | 109.7° | 108.7° |
| C7 | C2 | O19 | 129.7° | 131.5° |
| C2 | C7 | C6 | 118.3° | 120.0° |
| C2 | C7 | H7 | 120.8° | 120.0° |
| C2 | O19 | C18 | 108.7° | 105.5° |
| C4 | C3 | O29 | 129.1° | 131.5° |
| C3 | C4 | C5 | 119.7° | 120.0° |
| C3 | C4 | H4 | 120.1° | 120.0° |
| C3 | O29 | C18 | 108.3° | 105.4° |
| C4 | C5 | C6 | 118.5° | 120.1° |
| C4 | C5 | S8 | 120.8° | 119.9° |
| C5 | C4 | H4 | 120.2° | 120.0° |
| C6 | C5 | S8 | 120.7° | 119.9° |
| C5 | C6 | C7 | 121.0° | 120.2° |
| C5 | C6 | H6 | 119.5° | 120.0° |
| C5 | S8 | O9 | 110.7° | 106.4° |
| C5 | S8 | O10 | 110.7° | 106.4° |
| C5 | S8 | N11 | 112.3° | 107.2° |
| C7 | C6 | H6 | 119.5° | 119.9° |
| C6 | C7 | H7 | 120.8° | 120.0° |
| O9 | S8 | O10 | 111.0° | 123.1° |
| O9 | S8 | N11 | 105.9° | 106.4° |
| O10 | S8 | N11 | 106.0° | 106.4° |
| S8 | N11 | C12 | 112.6° | 120.0° |
| S8 | N11 | C16 | 113.6° | 120.0° |
| C12 | N11 | C16 | 112.9° | 120.0° |
| N11 | C12 | C13 | 111.1° | 109.5° |
| N11 | C12 | H12 | 108.9° | 109.5° |
| N11 | C12 | H12A | 108.9° | 109.5° |
| N11 | C16 | C17 | 107.9° | 109.5° |
| N11 | C16 | H16 | 110.0° | 109.5° |
| N11 | C16 | H16A | 110.0° | 109.5° |
| C12 | C13 | C14 | 112.8° | 109.5° |
| C12 | C13 | C15 | 110.3° | 109.4° |
| C13 | C12 | H12 | 108.9° | 109.4° |
| C13 | C12 | H12A | 108.9° | 109.4° |
| C12 | C13 | H13 | 107.2° | 109.4° |
| C14 | C13 | C15 | 111.0° | 109.5° |
| C14 | C13 | H13 | 106.4° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.4° | 109.4° |
| C13 | C14 | H14B | 109.5° | 109.5° |
| C15 | C13 | H13 | 109.1° | 109.4° |
| C13 | C15 | H15 | 109.5° | 109.4° |
| C13 | C15 | H15A | 109.5° | 109.5° |
| C13 | C15 | H15B | 109.4° | 109.4° |
| C16 | C17 | O18 | 109.5° | 109.5° |
| C16 | C17 | C19 | 112.8° | 109.4° |
| C17 | C16 | H16 | 110.0° | 109.4° |
| C17 | C16 | H16A | 110.0° | 109.5° |
| C16 | C17 | H17 | 107.8° | 109.5° |
| O18 | C17 | C19 | 111.1° | 109.5° |
| O18 | C17 | H17 | 109.5° | 109.5° |
| C17 | O18 | HO18 | 109.5° | 114.0° |
| C17 | C19 | N20 | 109.3° | 109.4° |
| C17 | C19 | C32 | 113.1° | 109.5° |
| C19 | C17 | H17 | 106.0° | 109.5° |
| C17 | C19 | H19 | 107.7° | 109.5° |
| O19 | C18 | O29 | 104.1° | 103.7° |
| O19 | C18 | H18 | 111.3° | 110.6° |
| O19 | C18 | H18A | 111.3° | 110.5° |
| O29 | C18 | H18 | 111.3° | 110.5° |
| O29 | C18 | H18A | 111.3° | 110.7° |
| N20 | C19 | C32 | 111.1° | 109.5° |
| C19 | N20 | C21 | 124.6° | 120.0° |
| N20 | C19 | H19 | 109.8° | 109.4° |
| C19 | N20 | HN20 | 117.7° | 120.1° |
| C19 | C32 | C38 | 108.5° | 109.5° |
| C32 | C19 | H19 | 105.7° | 109.5° |
| C19 | C32 | H32 | 109.8° | 109.5° |
| C19 | C32 | H32A | 109.8° | 109.4° |
| N20 | C21 | O22 | 123.9° | 120.0° |
| N20 | C21 | C29 | 116.8° | 120.0° |
| C21 | N20 | HN20 | 117.7° | 120.0° |
| O22 | C21 | C29 | 119.3° | 120.0° |
| C21 | C29 | C25 | 113.2° | 110.6° |
| C21 | C29 | O28 | 109.5° | 110.5° |
| C21 | C29 | H29 | 105.8° | 110.5° |
| C25 | N24 | C26 | 111.5° | 108.9° |
| C25 | N24 | C43 | 124.5° | 125.6° |
| N24 | C25 | C29 | 103.0° | 103.8° |
| N24 | C25 | H25 | 111.7° | 110.6° |
| N24 | C25 | H25A | 111.7° | 110.6° |
| C26 | N24 | C43 | 123.9° | 125.5° |
| N24 | C26 | O27 | 126.7° | 123.1° |
| N24 | C26 | O28 | 110.8° | 113.8° |
| N24 | C43 | C42 | 117.9° | 120.1° |
| N24 | C43 | C44 | 121.3° | 120.1° |
| C25 | C29 | O28 | 105.5° | 104.0° |
| C29 | C25 | H25 | 111.7° | 110.5° |
| C29 | C25 | H25A | 111.7° | 110.6° |
| C25 | C29 | H29 | 109.7° | 110.5° |
| O27 | C26 | O28 | 122.4° | 123.1° |
| C26 | O28 | C29 | 107.9° | 109.5° |
| O28 | C29 | H29 | 113.4° | 110.6° |
| C32 | C38 | C33 | 119.9° | 120.0° |
| C32 | C38 | C37 | 120.4° | 120.0° |
| C38 | C32 | H32 | 109.8° | 109.5° |
| C38 | C32 | H32A | 109.8° | 109.5° |
| C34 | C33 | C38 | 120.5° | 120.0° |
| C33 | C34 | C35 | 119.6° | 120.0° |
| C34 | C33 | H33 | 119.7° | 120.0° |
| C33 | C34 | H34 | 120.2° | 120.0° |
| C33 | C38 | C37 | 119.6° | 120.0° |
| C38 | C33 | H33 | 119.7° | 120.0° |
| C34 | C35 | C36 | 120.0° | 120.0° |
| C35 | C34 | H34 | 120.2° | 120.0° |
| C34 | C35 | H35 | 120.0° | 120.0° |
| C35 | C36 | C37 | 120.2° | 120.0° |
| C36 | C35 | H35 | 120.0° | 120.0° |
| C35 | C36 | H36 | 119.9° | 120.0° |
| C36 | C37 | C38 | 120.0° | 120.0° |
| C37 | C36 | H36 | 119.9° | 120.0° |
| C36 | C37 | H37 | 120.0° | 120.1° |
| C38 | C37 | H37 | 120.0° | 120.0° |
| C41 | C40 | C45 | 120.1° | 120.2° |
| C40 | C41 | C42 | 119.9° | 120.0° |
| C41 | C40 | H40 | 119.9° | 119.9° |
| C40 | C41 | H41 | 120.0° | 120.0° |
| C40 | C45 | C44 | 119.6° | 120.2° |
| C45 | C40 | H40 | 120.0° | 119.9° |
| C40 | C45 | H45 | 120.2° | 119.9° |
| C41 | C42 | C43 | 119.6° | 119.9° |
| C41 | C42 | O46 | 120.7° | 120.1° |
| C42 | C41 | H41 | 120.0° | 120.0° |
| C43 | C42 | O46 | 119.7° | 120.1° |
| C42 | C43 | C44 | 120.7° | 119.8° |
| C42 | O46 | HO46 | 109.5° | 114.0° |
| C43 | C44 | C45 | 120.0° | 120.0° |
| C43 | C44 | H44 | 120.0° | 120.0° |
| C45 | C44 | H44 | 120.0° | 120.0° |
| C44 | C45 | H45 | 120.2° | 119.9° |
| H12 | C12 | H12A | 110.0° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.4° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.4° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.0° | 109.5° |
| H18 | C18 | H18A | 107.5° | 110.6° |
| H25 | C25 | H25A | 107.2° | 110.6° |
| H32 | C32 | H32A | 109.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C7 | O19 | 178.5° | 179.7° |
| C2 | C3 | C4 | O29 | 179.2° | 180.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.1° |
| C3 | C2 | C7 | C6 | 0.2° | 0.1° |
| C3 | C2 | O19 | C18 | 1.4° | 17.3° |
| C2 | C3 | O29 | C18 | 3.6° | 17.6° |
| C2 | C3 | C4 | H4 | 179.3° | 180.0° |
| C3 | C2 | C7 | H7 | 179.8° | 180.0° |
| C7 | C2 | C3 | C4 | 0.5° | 0.0° |
| C7 | C2 | C3 | O29 | 179.9° | 180.0° |
| C2 | C7 | C6 | C5 | 0.0° | 0.1° |
| C2 | C7 | C6 | H7 | 180.0° | 180.0° |
| C7 | C2 | O19 | C18 | 177.2° | 162.5° |
| C2 | C7 | C6 | H6 | 179.9° | 180.0° |
| O19 | C2 | C3 | C4 | 179.3° | 179.8° |
| O19 | C2 | C3 | O29 | 1.3° | 0.2° |
| O19 | C2 | C7 | C6 | 178.7° | 179.8° |
| C2 | O19 | C18 | O29 | 3.4° | 27.3° |
| O19 | C2 | C7 | H7 | 1.3° | 0.2° |
| C2 | O19 | C18 | H18 | 123.4° | 145.7° |
| C2 | O19 | C18 | H18A | 116.6° | 91.4° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C3 | C4 | C5 | S8 | 178.7° | 180.0° |
| C4 | C3 | O29 | C18 | 177.1° | 162.5° |
| O29 | C3 | C4 | C5 | 179.9° | 180.0° |
| C3 | O29 | C18 | O19 | 4.2° | 27.4° |
| O29 | C3 | C4 | H4 | 0.1° | 0.1° |
| C3 | O29 | C18 | H18 | 124.2° | 145.9° |
| C3 | O29 | C18 | H18A | 115.8° | 91.2° |
| C4 | C5 | C6 | S8 | 179.2° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.1° |
| C4 | C5 | S8 | O9 | 149.9° | 156.4° |
| C4 | C5 | S8 | O10 | 26.3° | 23.5° |
| C4 | C5 | S8 | N11 | 92.0° | 90.1° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C6 | C5 | S8 | O9 | 31.0° | 23.5° |
| C6 | C5 | S8 | O10 | 154.6° | 156.4° |
| C6 | C5 | S8 | N11 | 87.1° | 90.0° |
| C6 | C5 | C4 | H4 | 179.5° | 180.0° |
| C5 | C6 | C7 | H7 | 179.9° | 179.9° |
| S8 | C5 | C6 | C7 | 179.0° | 179.9° |
| C5 | S8 | O9 | O10 | 123.4° | 123.0° |
| C5 | S8 | O9 | N11 | 122.0° | 114.1° |
| C5 | S8 | O10 | N11 | 122.0° | 114.1° |
| C5 | S8 | N11 | C12 | 49.8° | 90.0° |
| C5 | S8 | N11 | C16 | 80.1° | 90.0° |
| S8 | C5 | C4 | H4 | 1.3° | 0.0° |
| S8 | C5 | C6 | H6 | 1.0° | 0.0° |
| O9 | S8 | O10 | N11 | 114.6° | 122.9° |
| O9 | S8 | N11 | C12 | 170.7° | 23.6° |
| O9 | S8 | N11 | C16 | 40.8° | 156.5° |
| O10 | S8 | N11 | C12 | 71.2° | 156.5° |
| O10 | S8 | N11 | C16 | 158.8° | 23.6° |
| S8 | N11 | C12 | C16 | 130.3° | 180.0° |
| S8 | N11 | C12 | C13 | 145.6° | 95.0° |
| S8 | N11 | C16 | C17 | 123.3° | 95.0° |
| S8 | N11 | C12 | H12 | 25.6° | 145.0° |
| S8 | N11 | C12 | H12A | 94.4° | 25.0° |
| S8 | N11 | C16 | H16 | 116.7° | 145.0° |
| S8 | N11 | C16 | H16A | 3.3° | 25.0° |
| N11 | C12 | C13 | H12 | 120.0° | 120.1° |
| N11 | C12 | C13 | H12A | 120.0° | 120.0° |
| N11 | C12 | C13 | C14 | 55.6° | 175.0° |
| N11 | C12 | C13 | C15 | 179.8° | 64.9° |
| C12 | N11 | C16 | C17 | 106.9° | 85.0° |
| N11 | C12 | H12 | H12A | 119.3° | 120.0° |
| N11 | C12 | C13 | H13 | 61.2° | 55.0° |
| C12 | N11 | C16 | H16 | 13.1° | 35.0° |
| C12 | N11 | C16 | H16A | 133.1° | 155.0° |
| C16 | N11 | C12 | C13 | 84.1° | 85.0° |
| N11 | C16 | C17 | H16 | 120.0° | 120.0° |
| N11 | C16 | C17 | H16A | 120.0° | 120.0° |
| N11 | C16 | C17 | O18 | 166.8° | 65.0° |
| N11 | C16 | C17 | C19 | 68.9° | 175.0° |
| C16 | N11 | C12 | H12 | 155.8° | 35.0° |
| C16 | N11 | C12 | H12A | 35.9° | 155.0° |
| N11 | C16 | H16 | H16A | 120.6° | 120.0° |
| N11 | C16 | C17 | H17 | 47.8° | 55.0° |
| C12 | C13 | C14 | C15 | 124.3° | 120.0° |
| C12 | C13 | C14 | H13 | 117.2° | 120.0° |
| C12 | C13 | C15 | H13 | 117.4° | 119.9° |
| C13 | C12 | H12 | H12A | 119.3° | 119.9° |
| C12 | C13 | C14 | H14 | 180.0° | 60.0° |
| C12 | C13 | C14 | H14A | 60.0° | 180.0° |
| C12 | C13 | C14 | H14B | 60.0° | 60.0° |
| C12 | C13 | C15 | H15 | 180.0° | 60.1° |
| C12 | C13 | C15 | H15A | 60.0° | 60.0° |
| C12 | C13 | C15 | H15B | 60.0° | 180.0° |
| C14 | C13 | C15 | H13 | 116.9° | 120.1° |
| C14 | C13 | C12 | H12 | 64.4° | 55.0° |
| C14 | C13 | C12 | H12A | 175.6° | 65.0° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14B | 120.0° | 120.1° |
| C13 | C14 | H14A | H14B | 120.0° | 120.0° |
| C14 | C13 | C15 | H15 | 54.3° | 59.9° |
| C14 | C13 | C15 | H15A | 65.7° | 180.0° |
| C14 | C13 | C15 | H15B | 174.3° | 60.0° |
| C15 | C13 | C12 | H12 | 60.2° | 175.0° |
| C15 | C13 | C12 | H12A | 59.8° | 55.1° |
| C15 | C13 | C14 | H14 | 55.7° | 59.9° |
| C15 | C13 | C14 | H14A | 175.7° | 60.0° |
| C15 | C13 | C14 | H14B | 64.3° | 180.0° |
| C13 | C15 | H15 | H15A | 120.0° | 120.0° |
| C13 | C15 | H15 | H15B | 120.0° | 119.9° |
| C13 | C15 | H15A | H15B | 120.0° | 119.9° |
| C16 | C17 | O18 | C19 | 125.3° | 120.0° |
| C16 | C17 | O18 | H17 | 118.0° | 120.0° |
| C16 | C17 | C19 | H17 | 117.7° | 120.0° |
| C16 | C17 | C19 | N20 | 165.2° | 175.0° |
| C16 | C17 | C19 | C32 | 70.5° | 65.0° |
| C17 | C16 | H16 | H16A | 120.6° | 120.0° |
| C16 | C17 | O18 | HO18 | 180.0° | 60.0° |
| C16 | C17 | C19 | H19 | 45.9° | 55.1° |
| O18 | C17 | C19 | H17 | 118.9° | 120.0° |
| O18 | C17 | C19 | N20 | 71.4° | 65.0° |
| O18 | C17 | C19 | C32 | 52.9° | 55.0° |
| O18 | C17 | C16 | H16 | 46.8° | 55.0° |
| O18 | C17 | C16 | H16A | 73.2° | 175.0° |
| O18 | C17 | C19 | H19 | 169.3° | 175.0° |
| C17 | C19 | N20 | C32 | 125.5° | 120.0° |
| C17 | C19 | N20 | H19 | 117.9° | 119.9° |
| C17 | C19 | C32 | H19 | 117.6° | 120.0° |
| C17 | C19 | N20 | C21 | 116.0° | 155.0° |
| C17 | C19 | C32 | C38 | 177.9° | 175.0° |
| C19 | C17 | C16 | H16 | 171.1° | 65.0° |
| C19 | C17 | C16 | H16A | 51.1° | 55.0° |
| C19 | C17 | O18 | HO18 | 54.7° | 59.9° |
| C17 | C19 | N20 | HN20 | 63.9° | 25.0° |
| C17 | C19 | C32 | H32 | 57.9° | 65.0° |
| C17 | C19 | C32 | H32A | 62.0° | 55.0° |
| O19 | C18 | O29 | H18 | 120.0° | 118.5° |
| O19 | C18 | O29 | H18A | 120.0° | 118.6° |
| O19 | C18 | H18 | H18A | 122.2° | 122.8° |
| O29 | C18 | H18 | H18A | 122.2° | 123.0° |
| N20 | C19 | C32 | H19 | 119.1° | 120.0° |
| C19 | N20 | C21 | HN20 | 180.0° | 180.0° |
| C19 | N20 | C21 | O22 | 4.7° | 0.1° |
| C19 | N20 | C21 | C29 | 174.7° | 180.0° |
| N20 | C19 | C32 | C38 | 54.6° | 65.0° |
| N20 | C19 | C17 | H17 | 47.5° | 55.0° |
| N20 | C19 | C32 | H32 | 65.4° | 55.0° |
| N20 | C19 | C32 | H32A | 174.7° | 175.0° |
| C32 | C19 | N20 | C21 | 118.5° | 85.0° |
| C19 | C32 | C38 | H32 | 120.0° | 120.0° |
| C19 | C32 | C38 | H32A | 120.0° | 119.9° |
| C19 | C32 | C38 | C33 | 96.7° | 90.1° |
| C19 | C32 | C38 | C37 | 81.4° | 90.0° |
| C32 | C19 | C17 | H17 | 171.8° | 175.0° |
| C32 | C19 | N20 | HN20 | 61.5° | 95.0° |
| C19 | C32 | H32 | H32A | 120.4° | 119.9° |
| N20 | C21 | O22 | C29 | 179.4° | 179.9° |
| N20 | C21 | C29 | C25 | 136.6° | 65.0° |
| N20 | C21 | C29 | O28 | 19.2° | 179.5° |
| C21 | N20 | C19 | H19 | 1.9° | 35.1° |
| N20 | C21 | C29 | H29 | 103.3° | 57.7° |
| O22 | C21 | C29 | C25 | 42.8° | 114.9° |
| O22 | C21 | C29 | O28 | 160.2° | 0.4° |
| O22 | C21 | N20 | HN20 | 175.3° | 180.0° |
| O22 | C21 | C29 | H29 | 77.3° | 122.4° |
| C21 | C29 | C25 | N24 | 130.2° | 118.6° |
| C21 | C29 | C25 | O28 | 119.7° | 118.6° |
| C21 | C29 | C25 | H29 | 117.9° | 122.7° |
| C21 | C29 | O28 | C26 | 132.3° | 118.7° |
| C21 | C29 | O28 | H29 | 117.8° | 122.7° |
| C29 | C21 | N20 | HN20 | 5.3° | 0.1° |
| C21 | C29 | C25 | H25 | 109.8° | 122.8° |
| C21 | C29 | C25 | H25A | 10.2° | 0.0° |
| C25 | N24 | C26 | C43 | 176.4° | 179.7° |
| N24 | C25 | C29 | H25 | 120.0° | 118.6° |
| N24 | C25 | C29 | H25A | 120.0° | 118.6° |
| C25 | N24 | C26 | O27 | 178.4° | 180.0° |
| C25 | N24 | C26 | O28 | 1.2° | 0.0° |
| N24 | C25 | C29 | O28 | 10.5° | 0.0° |
| C25 | N24 | C43 | C42 | 95.0° | 90.0° |
| C25 | N24 | C43 | C44 | 84.1° | 90.0° |
| N24 | C25 | H25 | H25A | 122.6° | 122.8° |
| N24 | C25 | C29 | H29 | 112.0° | 118.7° |
| C26 | N24 | C25 | C29 | 7.4° | 0.0° |
| N24 | C26 | O27 | O28 | 176.9° | 179.9° |
| N24 | C26 | O28 | C29 | 6.0° | 0.1° |
| C26 | N24 | C43 | C42 | 80.9° | 89.7° |
| C26 | N24 | C43 | C44 | 100.0° | 90.3° |
| C26 | N24 | C25 | H25 | 127.4° | 118.6° |
| C26 | N24 | C25 | H25A | 112.6° | 118.6° |
| C43 | N24 | C25 | C29 | 169.0° | 179.7° |
| C43 | N24 | C26 | O27 | 2.1° | 0.3° |
| C43 | N24 | C26 | O28 | 175.1° | 179.7° |
| N24 | C43 | C42 | C41 | 179.8° | 180.0° |
| N24 | C43 | C42 | C44 | 179.1° | 179.9° |
| N24 | C43 | C42 | O46 | 0.8° | 0.1° |
| N24 | C43 | C44 | C45 | 179.9° | 180.0° |
| C43 | N24 | C25 | H25 | 48.9° | 61.7° |
| C43 | N24 | C25 | H25A | 71.1° | 61.1° |
| N24 | C43 | C44 | H44 | 0.1° | 0.0° |
| C25 | C29 | O28 | C26 | 10.2° | 0.1° |
| C25 | C29 | O28 | H29 | 120.1° | 118.7° |
| C29 | C25 | H25 | H25A | 122.6° | 122.8° |
| O27 | C26 | O28 | C29 | 171.3° | 180.0° |
| C26 | O28 | C29 | H29 | 109.8° | 118.6° |
| O28 | C29 | C25 | H25 | 130.5° | 118.6° |
| O28 | C29 | C25 | H25A | 109.5° | 118.6° |
| C32 | C38 | C33 | C34 | 178.1° | 180.0° |
| C32 | C38 | C33 | C37 | 178.1° | 179.9° |
| C32 | C38 | C37 | C36 | 178.0° | 180.0° |
| C38 | C32 | C19 | H19 | 64.5° | 54.9° |
| C38 | C32 | H32 | H32A | 120.4° | 120.0° |
| C32 | C38 | C33 | H33 | 1.9° | 0.3° |
| C32 | C38 | C37 | H37 | 2.0° | 0.1° |
| C34 | C33 | C38 | H33 | 180.0° | 179.8° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.8° | 0.0° |
| C34 | C33 | C38 | C37 | 0.0° | 0.1° |
| C33 | C34 | C35 | H35 | 179.2° | 179.9° |
| C38 | C33 | C34 | C35 | 0.4° | 0.1° |
| C33 | C38 | C37 | C36 | 0.1° | 0.0° |
| C33 | C38 | C32 | H32 | 23.3° | 30.0° |
| C33 | C38 | C32 | H32A | 143.2° | 150.0° |
| C38 | C33 | C34 | H34 | 179.6° | 180.0° |
| C33 | C38 | C37 | H37 | 179.9° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.9° | 0.0° |
| C35 | C34 | C33 | H33 | 179.6° | 179.7° |
| C34 | C35 | C36 | H36 | 179.1° | 179.9° |
| C35 | C36 | C37 | H36 | 180.0° | 179.8° |
| C35 | C36 | C37 | C38 | 0.6° | 0.0° |
| C36 | C35 | C34 | H34 | 179.1° | 180.0° |
| C35 | C36 | C37 | H37 | 179.4° | 179.9° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C37 | C36 | C35 | H35 | 179.1° | 179.9° |
| C37 | C38 | C32 | H32 | 158.6° | 150.0° |
| C37 | C38 | C32 | H32A | 38.6° | 30.0° |
| C37 | C38 | C33 | H33 | 180.0° | 179.7° |
| C38 | C37 | C36 | H36 | 179.5° | 179.9° |
| C41 | C40 | C45 | H40 | 180.0° | 179.8° |
| C40 | C41 | C42 | H41 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 1.0° | 0.0° |
| C40 | C41 | C42 | O46 | 180.0° | 180.0° |
| C41 | C40 | C45 | C44 | 0.7° | 0.1° |
| C41 | C40 | C45 | H45 | 179.3° | 180.0° |
| C45 | C40 | C41 | C42 | 0.8° | 0.0° |
| C40 | C45 | C44 | C43 | 0.8° | 0.0° |
| C40 | C45 | C44 | H45 | 180.0° | 180.0° |
| C45 | C40 | C41 | H41 | 179.2° | 180.0° |
| C40 | C45 | C44 | H44 | 179.2° | 180.0° |
| C41 | C42 | C43 | O46 | 179.0° | 179.9° |
| C41 | C42 | C43 | C44 | 1.1° | 0.1° |
| C42 | C41 | C40 | H40 | 179.2° | 179.8° |
| C41 | C42 | O46 | HO46 | 180.0° | 90.0° |
| C42 | C43 | C44 | C45 | 1.0° | 0.0° |
| C43 | C42 | C41 | H41 | 179.1° | 180.0° |
| C42 | C43 | C44 | H44 | 179.0° | 179.9° |
| C43 | C42 | O46 | HO46 | 1.0° | 90.0° |
| O46 | C42 | C43 | C44 | 179.9° | 180.0° |
| O46 | C42 | C41 | H41 | 0.1° | 0.0° |
| C43 | C44 | C45 | H44 | 180.0° | 180.0° |
| C43 | C44 | C45 | H45 | 179.2° | 180.0° |
| C44 | C45 | C40 | H40 | 179.3° | 179.8° |
| H6 | C6 | C7 | H7 | 0.1° | 0.0° |
| H12 | C12 | C13 | H13 | 178.8° | 65.1° |
| H12A | C12 | C13 | H13 | 58.8° | 175.0° |
| H13 | C13 | C14 | H14 | 62.8° | 180.0° |
| H13 | C13 | C14 | H14A | 57.2° | 60.0° |
| H13 | C13 | C14 | H14B | 177.2° | 60.0° |
| H13 | C13 | C15 | H15 | 62.6° | 180.0° |
| H13 | C13 | C15 | H15A | 177.4° | 59.9° |
| H13 | C13 | C15 | H15B | 57.4° | 60.1° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H16 | C16 | C17 | H17 | 72.2° | 175.0° |
| H16A | C16 | C17 | H17 | 167.8° | 65.0° |
| H17 | C17 | O18 | HO18 | 62.1° | 180.0° |
| H17 | C17 | C19 | H19 | 71.8° | 65.0° |
| H19 | C19 | N20 | HN20 | 178.1° | 145.0° |
| H19 | C19 | C32 | H32 | 175.5° | 175.0° |
| H19 | C19 | C32 | H32A | 55.5° | 65.0° |
| H25 | C25 | C29 | H29 | 8.0° | 0.1° |
| H25A | C25 | C29 | H29 | 128.0° | 122.7° |
| H33 | C33 | C34 | H34 | 0.4° | 0.3° |
| H34 | C34 | C35 | H35 | 0.9° | 0.1° |
| H35 | C35 | C36 | H36 | 0.9° | 0.1° |
| H36 | C36 | C37 | H37 | 0.6° | 0.1° |
| H40 | C40 | C41 | H41 | 0.8° | 0.2° |
| H40 | C40 | C45 | H45 | 0.7° | 0.2° |
| H44 | C44 | C45 | H45 | 0.8° | 0.0° |
