D78
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | S8 | doub | 1.42Å | 1.44Å | |
| S8 | O10 | doub | 1.42Å | 1.43Å | |
| S8 | C5 | sing | 1.76Å | 1.62Å | |
| S8 | N11 | sing | 1.66Å | 1.63Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | O19 | sing | 1.36Å | 1.37Å | |
| C2 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| O19 | C18 | sing | 1.43Å | 1.44Å | |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| N11 | C12 | sing | 1.46Å | 1.48Å | |
| N11 | C16 | sing | 1.46Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | O18 | sing | 1.43Å | 1.44Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C32 | sing | 1.53Å | 1.54Å | |
| C19 | N20 | sing | 1.47Å | 1.47Å | |
| C32 | C38 | sing | 1.51Å | 1.52Å | |
| C38 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| N20 | C21 | sing | 1.35Å | 1.34Å | |
| C21 | O22 | doub | 1.21Å | 1.23Å | |
| C21 | C29 | sing | 1.51Å | 1.51Å | |
| C29 | O28 | sing | 1.46Å | 1.44Å | |
| C29 | C25 | sing | 1.54Å | 1.54Å | |
| O28 | C26 | sing | 1.34Å | 1.44Å | |
| C26 | O27 | doub | 1.21Å | 1.22Å | |
| C26 | N24 | sing | 1.34Å | 1.34Å | |
| C25 | N24 | sing | 1.47Å | 1.45Å | |
| N24 | C43 | sing | 1.40Å | 1.38Å | |
| C43 | C44 | doub | 1.39Å | 1.40Å | Aromatic |
| C43 | C42 | sing | 1.39Å | 1.42Å | Aromatic |
| C44 | C45 | sing | 1.38Å | 1.40Å | Aromatic |
| C45 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | C46 | sing | 1.51Å | 1.51Å | |
| C46 | F1 | sing | 1.40Å | 1.31Å | |
| C46 | F2 | sing | 1.40Å | 1.31Å | |
| C46 | F3 | sing | 1.40Å | 1.32Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | 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 | |
| O18 | HO18 | sing | 0.97Å | 0.95Å | |
| C19 | H19 | 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 | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | S8 | O10 | 110.7° | 123.1° |
| O9 | S8 | C5 | 109.8° | 106.5° |
| O9 | S8 | N11 | 104.7° | 106.4° |
| O10 | S8 | C5 | 109.5° | 106.4° |
| O10 | S8 | N11 | 110.8° | 106.4° |
| C5 | S8 | N11 | 111.3° | 107.2° |
| S8 | C5 | C4 | 121.0° | 120.0° |
| S8 | C5 | C6 | 121.0° | 119.9° |
| S8 | N11 | C12 | 112.3° | 120.0° |
| S8 | N11 | C16 | 114.6° | 120.0° |
| C4 | C5 | C6 | 118.0° | 120.1° |
| C5 | C4 | C3 | 121.3° | 120.1° |
| C5 | C4 | H4 | 119.4° | 120.0° |
| C5 | C6 | C7 | 121.2° | 120.1° |
| C5 | C6 | H6 | 119.4° | 119.9° |
| C4 | C3 | C2 | 120.0° | 119.9° |
| C3 | C4 | H4 | 119.4° | 120.0° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C3 | C2 | O19 | 123.4° | 120.0° |
| C3 | C2 | C7 | 118.9° | 119.9° |
| C2 | C3 | H3 | 120.0° | 120.1° |
| O19 | C2 | C7 | 117.7° | 120.0° |
| C2 | O19 | C18 | 123.4° | 117.0° |
| C2 | C7 | C6 | 120.7° | 119.9° |
| C2 | C7 | H7 | 119.6° | 120.1° |
| O19 | C18 | H18 | 109.5° | 109.5° |
| O19 | C18 | H18A | 109.5° | 109.4° |
| O19 | C18 | H18B | 109.5° | 109.5° |
| C6 | C7 | H7 | 119.7° | 120.0° |
| C7 | C6 | H6 | 119.4° | 120.0° |
| C12 | N11 | C16 | 113.1° | 120.0° |
| N11 | C12 | C13 | 110.4° | 109.5° |
| N11 | C12 | H12 | 109.2° | 109.5° |
| N11 | C12 | H12A | 109.0° | 109.5° |
| N11 | C16 | C17 | 111.1° | 109.4° |
| N11 | C16 | H16 | 108.9° | 109.5° |
| N11 | C16 | H16A | 108.5° | 109.5° |
| C12 | C13 | C14 | 112.7° | 109.5° |
| C12 | C13 | C15 | 110.2° | 109.4° |
| C13 | C12 | H12 | 109.2° | 109.5° |
| C13 | C12 | H12A | 109.0° | 109.4° |
| C12 | C13 | H13 | 107.0° | 109.4° |
| C14 | C13 | C15 | 110.2° | 109.5° |
| C14 | C13 | H13 | 107.0° | 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 | 109.6° | 109.4° |
| C13 | C15 | H15 | 109.5° | 109.5° |
| C13 | C15 | H15A | 109.4° | 109.4° |
| C13 | C15 | H15B | 109.5° | 109.5° |
| C16 | C17 | O18 | 107.5° | 109.5° |
| C16 | C17 | C19 | 110.4° | 109.5° |
| C17 | C16 | H16 | 108.9° | 109.4° |
| C17 | C16 | H16A | 108.6° | 109.5° |
| C16 | C17 | H17 | 111.6° | 109.5° |
| O18 | C17 | C19 | 113.5° | 109.5° |
| O18 | C17 | H17 | 108.4° | 109.5° |
| C17 | O18 | HO18 | 109.5° | 114.0° |
| C17 | C19 | C32 | 114.2° | 109.5° |
| C17 | C19 | N20 | 115.1° | 109.5° |
| C19 | C17 | H17 | 105.4° | 109.5° |
| C17 | C19 | H19 | 100.0° | 109.5° |
| C32 | C19 | N20 | 102.0° | 109.5° |
| C19 | C32 | C38 | 110.5° | 109.5° |
| C32 | C19 | H19 | 113.6° | 109.5° |
| C19 | C32 | H32 | 109.1° | 109.4° |
| C19 | C32 | H32A | 108.9° | 109.4° |
| C19 | N20 | C21 | 122.8° | 120.0° |
| N20 | C19 | H19 | 112.6° | 109.5° |
| C19 | N20 | HN20 | 118.6° | 120.0° |
| C32 | C38 | C33 | 120.5° | 120.0° |
| C32 | C38 | C37 | 120.9° | 120.0° |
| C38 | C32 | H32 | 109.1° | 109.5° |
| C38 | C32 | H32A | 108.9° | 109.5° |
| C33 | C38 | C37 | 118.6° | 120.0° |
| C38 | C33 | C34 | 120.7° | 120.0° |
| C38 | C33 | H33 | 119.6° | 120.0° |
| C38 | C37 | C36 | 120.4° | 120.0° |
| C38 | C37 | H37 | 119.8° | 119.9° |
| C33 | C34 | C35 | 120.5° | 120.0° |
| C34 | C33 | H33 | 119.6° | 120.0° |
| C33 | C34 | H34 | 119.7° | 120.0° |
| C34 | C35 | C36 | 119.1° | 119.9° |
| C35 | C34 | H34 | 119.7° | 120.0° |
| C34 | C35 | H35 | 120.5° | 120.1° |
| C35 | C36 | C37 | 120.6° | 120.1° |
| C36 | C35 | H35 | 120.4° | 120.0° |
| C35 | C36 | H36 | 119.7° | 120.0° |
| C37 | C36 | H36 | 119.7° | 120.0° |
| C36 | C37 | H37 | 119.8° | 120.1° |
| N20 | C21 | O22 | 124.8° | 120.0° |
| N20 | C21 | C29 | 117.1° | 120.0° |
| C21 | N20 | HN20 | 118.6° | 120.0° |
| O22 | C21 | C29 | 118.1° | 120.0° |
| C21 | C29 | O28 | 113.6° | 110.5° |
| C21 | C29 | C25 | 107.2° | 110.5° |
| C21 | C29 | H29 | 107.3° | 110.5° |
| O28 | C29 | C25 | 106.5° | 104.0° |
| C29 | O28 | C26 | 106.5° | 109.5° |
| O28 | C29 | H29 | 108.0° | 110.5° |
| C29 | C25 | N24 | 103.3° | 103.8° |
| C25 | C29 | H29 | 114.3° | 110.6° |
| C29 | C25 | H25 | 111.6° | 110.5° |
| C29 | C25 | H25A | 112.9° | 110.6° |
| O28 | C26 | O27 | 118.2° | 123.1° |
| O28 | C26 | N24 | 111.0° | 113.8° |
| O27 | C26 | N24 | 130.8° | 123.1° |
| C26 | N24 | C25 | 111.2° | 108.9° |
| C26 | N24 | C43 | 127.6° | 125.5° |
| C25 | N24 | C43 | 121.1° | 125.6° |
| N24 | C25 | H25 | 111.6° | 110.6° |
| N24 | C25 | H25A | 112.9° | 110.6° |
| N24 | C43 | C44 | 121.7° | 120.0° |
| N24 | C43 | C42 | 121.1° | 120.1° |
| C44 | C43 | C42 | 117.2° | 119.9° |
| C43 | C44 | C45 | 121.2° | 119.9° |
| C43 | C44 | H44 | 119.4° | 120.1° |
| C43 | C42 | C41 | 121.7° | 119.9° |
| C43 | C42 | H42 | 119.1° | 120.1° |
| C44 | C45 | C40 | 120.6° | 120.1° |
| C45 | C44 | H44 | 119.4° | 120.1° |
| C44 | C45 | H45 | 119.7° | 119.9° |
| C45 | C40 | C41 | 119.9° | 120.1° |
| C40 | C45 | H45 | 119.7° | 120.0° |
| C45 | C40 | H40 | 120.1° | 119.9° |
| C40 | C41 | C42 | 119.3° | 120.1° |
| C40 | C41 | C46 | 119.7° | 119.9° |
| C41 | C40 | H40 | 120.1° | 120.0° |
| C42 | C41 | C46 | 120.9° | 120.0° |
| C41 | C42 | H42 | 119.1° | 120.0° |
| C41 | C46 | F1 | 110.4° | 109.5° |
| C41 | C46 | F2 | 111.4° | 109.4° |
| C41 | C46 | F3 | 111.0° | 109.5° |
| F1 | C46 | F2 | 107.0° | 109.5° |
| F1 | C46 | F3 | 108.6° | 109.5° |
| F2 | C46 | F3 | 108.2° | 109.4° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H18 | C18 | H18B | 109.4° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| H12 | C12 | H12A | 110.2° | 109.4° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.4° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.4° |
| H16 | C16 | H16A | 110.8° | 109.5° |
| H32 | C32 | H32A | 110.3° | 109.4° |
| H25 | C25 | H25A | 104.8° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | S8 | O10 | C5 | 121.1° | 123.0° |
| O9 | S8 | O10 | N11 | 115.7° | 122.9° |
| O9 | S8 | C5 | N11 | 115.4° | 113.5° |
| O9 | S8 | C5 | C4 | 24.7° | 156.5° |
| O9 | S8 | C5 | C6 | 156.7° | 23.2° |
| O9 | S8 | N11 | C12 | 72.4° | 23.6° |
| O9 | S8 | N11 | C16 | 156.8° | 156.4° |
| O10 | S8 | C5 | N11 | 122.8° | 113.6° |
| O10 | S8 | C5 | C4 | 146.4° | 23.5° |
| O10 | S8 | C5 | C6 | 35.0° | 156.2° |
| O10 | S8 | N11 | C12 | 168.2° | 156.4° |
| O10 | S8 | N11 | C16 | 37.4° | 23.5° |
| S8 | C5 | C4 | C6 | 178.7° | 179.7° |
| S8 | C5 | C4 | C3 | 179.1° | 180.0° |
| S8 | C5 | C6 | C7 | 178.8° | 179.7° |
| C5 | S8 | N11 | C12 | 46.1° | 90.0° |
| C5 | S8 | N11 | C16 | 84.7° | 90.0° |
| S8 | C5 | C4 | H4 | 0.9° | 0.0° |
| S8 | C5 | C6 | H6 | 1.2° | 0.0° |
| N11 | S8 | C5 | C4 | 90.7° | 90.0° |
| N11 | S8 | C5 | C6 | 87.9° | 90.3° |
| S8 | N11 | C12 | C16 | 131.5° | 180.0° |
| S8 | N11 | C12 | C13 | 150.7° | 95.0° |
| S8 | N11 | C16 | C17 | 119.3° | 95.0° |
| S8 | N11 | C12 | H12 | 30.7° | 145.0° |
| S8 | N11 | C12 | H12A | 89.7° | 25.0° |
| S8 | N11 | C16 | H16 | 120.7° | 145.1° |
| S8 | N11 | C16 | H16A | 0.0° | 25.0° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.7° | 0.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.6° |
| C5 | C4 | C3 | H3 | 179.3° | 179.9° |
| C4 | C5 | C6 | H6 | 179.9° | 179.7° |
| C6 | C5 | C4 | C3 | 0.4° | 0.3° |
| C5 | C6 | C7 | C2 | 0.1° | 0.5° |
| C5 | C6 | C7 | H6 | 180.0° | 179.7° |
| C6 | C5 | C4 | H4 | 179.5° | 179.7° |
| C5 | C6 | C7 | H7 | 179.9° | 179.7° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | O19 | 179.1° | 180.0° |
| C4 | C3 | C2 | C7 | 0.6° | 0.0° |
| C3 | C2 | O19 | C7 | 179.7° | 180.0° |
| C3 | C2 | O19 | C18 | 1.9° | 180.0° |
| C3 | C2 | C7 | C6 | 0.3° | 0.2° |
| C2 | C3 | C4 | H4 | 179.3° | 180.0° |
| C3 | C2 | C7 | H7 | 179.7° | 180.0° |
| O19 | C2 | C7 | C6 | 179.4° | 179.7° |
| O19 | C2 | C3 | H3 | 0.9° | 0.1° |
| C2 | O19 | C18 | H18 | 132.4° | 60.0° |
| C2 | O19 | C18 | H18A | 12.3° | 60.0° |
| C2 | O19 | C18 | H18B | 107.7° | 180.0° |
| O19 | C2 | C7 | H7 | 0.5° | 0.0° |
| C7 | C2 | O19 | C18 | 177.8° | 0.0° |
| C2 | C7 | C6 | H7 | 180.0° | 179.8° |
| C7 | C2 | C3 | H3 | 179.4° | 179.9° |
| C2 | C7 | C6 | H6 | 179.9° | 179.7° |
| O19 | C18 | H18 | H18A | 120.0° | 120.0° |
| O19 | C18 | H18 | H18B | 120.0° | 120.0° |
| O19 | C18 | H18A | H18B | 120.0° | 120.0° |
| N11 | C12 | C13 | H12 | 120.0° | 120.0° |
| N11 | C12 | C13 | H12A | 119.6° | 120.0° |
| N11 | C12 | C13 | C14 | 58.4° | 175.0° |
| N11 | C12 | C13 | C15 | 178.1° | 64.9° |
| C12 | N11 | C16 | C17 | 110.3° | 85.0° |
| N11 | C12 | H12 | H12A | 119.6° | 120.0° |
| N11 | C12 | C13 | H13 | 59.0° | 55.0° |
| C12 | N11 | C16 | H16 | 9.7° | 34.9° |
| C12 | N11 | C16 | H16A | 130.4° | 155.0° |
| C16 | N11 | C12 | C13 | 77.8° | 85.0° |
| N11 | C16 | C17 | H16 | 120.0° | 120.0° |
| N11 | C16 | C17 | H16A | 119.3° | 120.1° |
| N11 | C16 | C17 | O18 | 169.2° | 65.0° |
| N11 | C16 | C17 | C19 | 66.5° | 175.0° |
| C16 | N11 | C12 | H12 | 162.2° | 35.1° |
| C16 | N11 | C12 | H12A | 41.9° | 155.0° |
| N11 | C16 | H16 | H16A | 119.3° | 120.1° |
| N11 | C16 | C17 | H17 | 50.4° | 55.0° |
| C12 | C13 | C14 | C15 | 123.5° | 120.0° |
| C12 | C13 | C14 | H13 | 117.3° | 120.0° |
| C12 | C13 | C15 | H13 | 117.5° | 119.9° |
| C13 | C12 | H12 | H12A | 119.6° | 120.0° |
| C12 | C13 | C14 | H14 | 13.1° | 60.0° |
| C12 | C13 | C14 | H14A | 106.8° | 180.0° |
| C12 | C13 | C14 | H14B | 133.2° | 60.0° |
| C12 | C13 | C15 | H15 | 100.6° | 60.0° |
| C12 | C13 | C15 | H15A | 139.4° | 180.0° |
| C12 | C13 | C15 | H15B | 19.3° | 60.1° |
| C14 | C13 | C15 | H13 | 117.5° | 120.1° |
| C14 | C13 | C12 | H12 | 61.7° | 55.0° |
| C14 | C13 | C12 | H12A | 178.0° | 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 | 134.4° | 180.0° |
| C14 | C13 | C15 | H15A | 14.4° | 60.0° |
| C14 | C13 | C15 | H15B | 105.6° | 59.9° |
| C15 | C13 | C12 | H12 | 61.9° | 175.0° |
| C15 | C13 | C12 | H12A | 58.5° | 55.1° |
| C15 | C13 | C14 | H14 | 136.7° | 60.0° |
| C15 | C13 | C14 | H14A | 16.7° | 60.0° |
| C15 | C13 | C14 | H14B | 103.3° | 180.0° |
| C13 | C15 | H15 | H15A | 120.0° | 120.0° |
| C13 | C15 | H15 | H15B | 120.0° | 120.0° |
| C13 | C15 | H15A | H15B | 120.0° | 119.9° |
| C16 | C17 | O18 | C19 | 122.5° | 120.0° |
| C16 | C17 | O18 | H17 | 120.8° | 120.0° |
| C16 | C17 | C19 | H17 | 120.7° | 120.0° |
| C16 | C17 | C19 | C32 | 75.6° | 65.0° |
| C16 | C17 | C19 | N20 | 167.0° | 175.0° |
| C17 | C16 | H16 | H16A | 119.4° | 120.0° |
| C16 | C17 | O18 | HO18 | 143.2° | 60.0° |
| C16 | C17 | C19 | H19 | 46.0° | 55.0° |
| O18 | C17 | C19 | H17 | 118.5° | 120.0° |
| O18 | C17 | C19 | C32 | 45.2° | 55.0° |
| O18 | C17 | C19 | N20 | 72.2° | 65.0° |
| O18 | C17 | C16 | H16 | 49.1° | 55.0° |
| O18 | C17 | C16 | H16A | 71.6° | 175.0° |
| O18 | C17 | C19 | H19 | 166.9° | 175.0° |
| C17 | C19 | C32 | N20 | 124.8° | 120.0° |
| C17 | C19 | C32 | H19 | 113.8° | 120.0° |
| C17 | C19 | N20 | H19 | 113.8° | 120.0° |
| C17 | C19 | C32 | C38 | 177.6° | 175.0° |
| C17 | C19 | N20 | C21 | 109.7° | 155.0° |
| C19 | C17 | C16 | H16 | 173.5° | 65.0° |
| C19 | C17 | C16 | H16A | 52.8° | 55.0° |
| C19 | C17 | O18 | HO18 | 20.8° | 60.0° |
| C17 | C19 | C32 | H32 | 57.6° | 65.0° |
| C17 | C19 | C32 | H32A | 62.9° | 55.0° |
| C17 | C19 | N20 | HN20 | 70.3° | 25.0° |
| C32 | C19 | N20 | H19 | 122.1° | 120.0° |
| C19 | C32 | C38 | H32 | 120.0° | 120.0° |
| C19 | C32 | C38 | H32A | 119.6° | 120.0° |
| C19 | C32 | C38 | C33 | 106.7° | 90.0° |
| C19 | C32 | C38 | C37 | 72.2° | 90.2° |
| C32 | C19 | N20 | C21 | 126.1° | 85.0° |
| C32 | C19 | C17 | H17 | 163.7° | 175.0° |
| C19 | C32 | H32 | H32A | 119.6° | 119.9° |
| C32 | C19 | N20 | HN20 | 53.9° | 95.0° |
| N20 | C19 | C32 | C38 | 52.8° | 65.0° |
| C19 | N20 | C21 | HN20 | 180.0° | 179.9° |
| C19 | N20 | C21 | O22 | 5.6° | 0.1° |
| C19 | N20 | C21 | C29 | 173.8° | 180.0° |
| N20 | C19 | C17 | H17 | 46.3° | 55.0° |
| N20 | C19 | C32 | H32 | 67.2° | 55.0° |
| N20 | C19 | C32 | H32A | 172.4° | 175.0° |
| C32 | C38 | C33 | C37 | 178.9° | 179.8° |
| C32 | C38 | C33 | C34 | 179.0° | 180.0° |
| C32 | C38 | C37 | C36 | 179.2° | 179.8° |
| C38 | C32 | C19 | H19 | 68.7° | 55.0° |
| C38 | C32 | H32 | H32A | 119.6° | 120.0° |
| C32 | C38 | C33 | H33 | 1.0° | 0.1° |
| C32 | C38 | C37 | H37 | 0.8° | 0.1° |
| C38 | C33 | C34 | H33 | 180.0° | 179.9° |
| C38 | C33 | C34 | C35 | 0.0° | 0.0° |
| C33 | C38 | C37 | C36 | 0.3° | 0.4° |
| C33 | C38 | C32 | H32 | 13.3° | 30.0° |
| C33 | C38 | C32 | H32A | 133.8° | 150.0° |
| C38 | C33 | C34 | H34 | 180.0° | 179.9° |
| C33 | C38 | C37 | H37 | 179.7° | 179.7° |
| C37 | C38 | C33 | C34 | 0.1° | 0.2° |
| C38 | C37 | C36 | C35 | 0.3° | 0.4° |
| C38 | C37 | C36 | H37 | 180.0° | 179.9° |
| C37 | C38 | C32 | H32 | 167.8° | 149.8° |
| C37 | C38 | C32 | H32A | 47.4° | 29.8° |
| C37 | C38 | C33 | H33 | 179.9° | 179.7° |
| C38 | C37 | C36 | H36 | 179.7° | 179.7° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.0° | 0.0° |
| C33 | C34 | C35 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.2° | 0.2° |
| C35 | C34 | C33 | H33 | 180.0° | 179.9° |
| C34 | C35 | C36 | H36 | 179.9° | 179.9° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C36 | C35 | C34 | H34 | 180.0° | 179.9° |
| C35 | C36 | C37 | H37 | 179.7° | 179.7° |
| C37 | C36 | C35 | H35 | 179.8° | 179.8° |
| N20 | C21 | O22 | C29 | 179.4° | 180.0° |
| N20 | C21 | C29 | O28 | 5.9° | 176.5° |
| N20 | C21 | C29 | C25 | 111.5° | 69.0° |
| C21 | N20 | C19 | H19 | 4.0° | 35.1° |
| N20 | C21 | C29 | H29 | 125.2° | 53.8° |
| O22 | C21 | C29 | O28 | 174.6° | 3.5° |
| O22 | C21 | C29 | C25 | 68.0° | 111.0° |
| O22 | C21 | N20 | HN20 | 174.4° | 180.0° |
| O22 | C21 | C29 | H29 | 55.3° | 126.2° |
| C21 | C29 | O28 | C25 | 117.8° | 118.6° |
| C21 | C29 | O28 | H29 | 118.9° | 122.6° |
| C21 | C29 | C25 | H29 | 118.8° | 122.7° |
| C21 | C29 | O28 | C26 | 130.5° | 118.6° |
| C21 | C29 | C25 | N24 | 132.8° | 118.6° |
| C29 | C21 | N20 | HN20 | 6.2° | 0.0° |
| C21 | C29 | C25 | H25 | 12.8° | 0.0° |
| C21 | C29 | C25 | H25A | 105.0° | 122.8° |
| O28 | C29 | C25 | H29 | 119.2° | 118.7° |
| C29 | O28 | C26 | O27 | 168.1° | 180.0° |
| C29 | O28 | C26 | N24 | 10.2° | 0.0° |
| O28 | C29 | C25 | N24 | 10.8° | 0.0° |
| O28 | C29 | C25 | H25 | 109.2° | 118.6° |
| O28 | C29 | C25 | H25A | 133.0° | 118.6° |
| C25 | C29 | O28 | C26 | 12.7° | 0.0° |
| C29 | C25 | N24 | C26 | 4.8° | 0.0° |
| C29 | C25 | N24 | H25 | 120.0° | 118.5° |
| C29 | C25 | N24 | H25A | 122.3° | 118.6° |
| C29 | C25 | N24 | C43 | 171.5° | 180.0° |
| C29 | C25 | H25 | H25A | 122.6° | 122.8° |
| O28 | C26 | O27 | N24 | 178.0° | 180.0° |
| O28 | C26 | N24 | C25 | 3.1° | 0.0° |
| O28 | C26 | N24 | C43 | 179.1° | 179.9° |
| C26 | O28 | C29 | H29 | 110.5° | 118.8° |
| O27 | C26 | N24 | C25 | 175.0° | 180.0° |
| O27 | C26 | N24 | C43 | 1.1° | 0.0° |
| C26 | N24 | C25 | C43 | 176.3° | 180.0° |
| C26 | N24 | C43 | C44 | 23.9° | 180.0° |
| C26 | N24 | C43 | C42 | 157.4° | 0.3° |
| C26 | N24 | C25 | H25 | 115.2° | 118.5° |
| C26 | N24 | C25 | H25A | 127.1° | 118.6° |
| C25 | N24 | C43 | C44 | 151.8° | 0.0° |
| C25 | N24 | C43 | C42 | 26.9° | 179.7° |
| N24 | C25 | C29 | H29 | 108.4° | 118.7° |
| N24 | C25 | H25 | H25A | 122.5° | 122.9° |
| N24 | C43 | C44 | C42 | 178.8° | 179.7° |
| N24 | C43 | C44 | C45 | 179.8° | 180.0° |
| N24 | C43 | C42 | C41 | 179.7° | 179.7° |
| C43 | N24 | C25 | H25 | 68.5° | 61.5° |
| C43 | N24 | C25 | H25A | 49.3° | 61.4° |
| N24 | C43 | C44 | H44 | 0.2° | 0.0° |
| N24 | C43 | C42 | H42 | 0.3° | 0.0° |
| C43 | C44 | C45 | H44 | 180.0° | 180.0° |
| C43 | C44 | C45 | C40 | 1.0° | 0.0° |
| C44 | C43 | C42 | C41 | 0.9° | 0.6° |
| C43 | C44 | C45 | H45 | 179.0° | 180.0° |
| C44 | C43 | C42 | H42 | 179.1° | 179.7° |
| C42 | C43 | C44 | C45 | 1.0° | 0.3° |
| C43 | C42 | C41 | C40 | 0.8° | 0.6° |
| C43 | C42 | C41 | H42 | 180.0° | 179.7° |
| C43 | C42 | C41 | C46 | 179.4° | 179.6° |
| C42 | C43 | C44 | H44 | 179.0° | 179.7° |
| C44 | C45 | C40 | H45 | 180.0° | 179.9° |
| C44 | C45 | C40 | C41 | 0.9° | 0.0° |
| C44 | C45 | C40 | H40 | 179.1° | 180.0° |
| C45 | C40 | C41 | H40 | 180.0° | 180.0° |
| C45 | C40 | C41 | C42 | 0.8° | 0.3° |
| C45 | C40 | C41 | C46 | 179.4° | 180.0° |
| C40 | C45 | C44 | H44 | 179.0° | 179.9° |
| C40 | C41 | C42 | C46 | 179.8° | 179.8° |
| C40 | C41 | C46 | F1 | 99.8° | 0.1° |
| C40 | C41 | C46 | F2 | 19.0° | 120.1° |
| C40 | C41 | C46 | F3 | 139.7° | 120.0° |
| C41 | C40 | C45 | H45 | 179.1° | 180.0° |
| C40 | C41 | C42 | H42 | 179.2° | 179.7° |
| C42 | C41 | C46 | F1 | 80.4° | 179.7° |
| C42 | C41 | C46 | F2 | 160.8° | 59.7° |
| C42 | C41 | C46 | F3 | 40.1° | 60.2° |
| C42 | C41 | C40 | H40 | 179.2° | 179.7° |
| C41 | C46 | F1 | F2 | 121.5° | 120.0° |
| C41 | C46 | F1 | F3 | 121.9° | 120.0° |
| C41 | C46 | F2 | F3 | 122.3° | 120.0° |
| C46 | C41 | C40 | H40 | 0.6° | 0.1° |
| C46 | C41 | C42 | H42 | 0.6° | 0.1° |
| F1 | C46 | F2 | F3 | 116.9° | 120.0° |
| H4 | C4 | C3 | H3 | 0.7° | 0.1° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| H7 | C7 | C6 | H6 | 0.0° | 0.0° |
| H12 | C12 | C13 | H13 | 179.0° | 65.1° |
| H12A | C12 | C13 | H13 | 60.7° | 175.0° |
| H13 | C13 | C14 | H14 | 104.2° | 180.0° |
| H13 | C13 | C14 | H14A | 135.8° | 60.0° |
| H13 | C13 | C14 | H14B | 15.8° | 60.0° |
| H13 | C13 | C15 | H15 | 16.9° | 60.0° |
| H13 | C13 | C15 | H15A | 103.1° | 60.1° |
| H13 | C13 | C15 | H15B | 136.9° | 180.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H16 | C16 | C17 | H17 | 69.7° | 175.0° |
| H16A | C16 | C17 | H17 | 169.6° | 65.0° |
| H17 | C17 | O18 | HO18 | 96.0° | 180.0° |
| H17 | C17 | C19 | H19 | 74.7° | 65.0° |
| H19 | C19 | C32 | H32 | 171.4° | 175.0° |
| H19 | C19 | C32 | H32A | 50.9° | 65.0° |
| H19 | C19 | N20 | HN20 | 176.0° | 145.0° |
| H33 | C33 | C34 | H34 | 0.0° | 0.0° |
| H34 | C34 | C35 | H35 | 0.0° | 0.1° |
| H35 | C35 | C36 | H36 | 0.1° | 0.0° |
| H36 | C36 | C37 | H37 | 0.3° | 0.1° |
| H29 | C29 | C25 | H25 | 131.6° | 122.7° |
| H29 | C29 | C25 | H25A | 13.8° | 0.1° |
| H44 | C44 | C45 | H45 | 1.0° | 0.0° |
| H45 | C45 | C40 | H40 | 0.9° | 0.1° |
