F72
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | doub | 1.28Å | 1.34Å | Aromatic |
| C1 | S1 | sing | 1.71Å | 1.74Å | Aromatic |
| N1 | C2 | sing | 1.35Å | 1.35Å | Aromatic |
| S1 | C3 | sing | 1.76Å | 1.71Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.63Å | |
| C6 | C7 | doub | 1.36Å | 1.39Å | Aromatic |
| S8 | O9 | doub | 1.42Å | 1.43Å | |
| S8 | O10 | doub | 1.42Å | 1.39Å | |
| S8 | N11 | sing | 1.66Å | 1.61Å | |
| C11 | C15 | sing | 1.53Å | 1.52Å | |
| C11 | C18 | sing | 1.53Å | 1.53Å | |
| N11 | C12 | sing | 1.47Å | 1.47Å | |
| N11 | C16 | sing | 1.46Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C20 | sing | 1.53Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | O18 | sing | 1.43Å | 1.42Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | N20 | sing | 1.47Å | 1.44Å | |
| C19 | C32 | sing | 1.53Å | 1.53Å | |
| N20 | C21 | sing | 1.35Å | 1.32Å | |
| C21 | C22 | sing | 1.48Å | 1.48Å | |
| C21 | O22 | doub | 1.22Å | 1.21Å | |
| C22 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | O27 | sing | 1.36Å | 1.35Å | |
| C32 | C38 | sing | 1.51Å | 1.52Å | |
| C33 | C34 | doub | 1.38Å | 1.40Å | 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 |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | 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 | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | 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 | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| O27 | HO27 | sing | 0.97Å | 0.95Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | S1 | 115.1° | 111.5° |
| C1 | N1 | C2 | 113.5° | 117.9° |
| N1 | C1 | H1 | 122.5° | 124.3° |
| C1 | S1 | C3 | 85.9° | 90.8° |
| S1 | C1 | H1 | 122.4° | 124.2° |
| N1 | C2 | C3 | 109.6° | 111.8° |
| N1 | C2 | C7 | 129.4° | 129.7° |
| S1 | C3 | C2 | 115.9° | 108.0° |
| S1 | C3 | C4 | 126.2° | 131.7° |
| C3 | C2 | C7 | 121.0° | 118.5° |
| C2 | C3 | C4 | 118.0° | 120.3° |
| C2 | C7 | C6 | 120.6° | 120.4° |
| C2 | C7 | H7 | 119.7° | 119.8° |
| C3 | C4 | C5 | 121.8° | 119.9° |
| C3 | C4 | H4 | 119.1° | 120.0° |
| C4 | C5 | C6 | 117.7° | 120.1° |
| C4 | C5 | S8 | 123.7° | 120.0° |
| C5 | C4 | H4 | 119.1° | 120.0° |
| C6 | C5 | S8 | 118.4° | 120.0° |
| C5 | C6 | C7 | 120.9° | 120.8° |
| C5 | C6 | H6 | 119.6° | 119.6° |
| C5 | S8 | O9 | 109.4° | 106.4° |
| C5 | S8 | O10 | 111.9° | 106.4° |
| C5 | S8 | N11 | 109.0° | 107.2° |
| C7 | C6 | H6 | 119.6° | 119.6° |
| C6 | C7 | H7 | 119.7° | 119.8° |
| O9 | S8 | O10 | 111.6° | 123.2° |
| O9 | S8 | N11 | 106.2° | 106.4° |
| O10 | S8 | N11 | 108.5° | 106.4° |
| S8 | N11 | C12 | 111.5° | 120.0° |
| S8 | N11 | C16 | 112.7° | 120.0° |
| C15 | C11 | C18 | 115.5° | 109.4° |
| C11 | C15 | C13 | 112.3° | 109.5° |
| C15 | C11 | H11 | 107.5° | 109.5° |
| C15 | C11 | H11A | 107.5° | 109.5° |
| C11 | C15 | H15 | 108.6° | 109.5° |
| C11 | C15 | H15A | 108.6° | 109.4° |
| C11 | C18 | C20 | 113.6° | 109.4° |
| C18 | C11 | H11 | 107.5° | 109.5° |
| C18 | C11 | H11A | 107.5° | 109.4° |
| C11 | C18 | H18 | 108.1° | 109.5° |
| C11 | C18 | H18A | 108.1° | 109.5° |
| C12 | N11 | C16 | 111.2° | 120.0° |
| N11 | C12 | C13 | 109.6° | 109.4° |
| N11 | C12 | H12 | 109.4° | 109.4° |
| N11 | C12 | H12A | 109.4° | 109.4° |
| N11 | C16 | C17 | 109.2° | 109.5° |
| N11 | C16 | H16 | 109.5° | 109.4° |
| N11 | C16 | H16A | 109.6° | 109.5° |
| C12 | C13 | C14 | 113.0° | 109.4° |
| C12 | C13 | C15 | 114.8° | 109.5° |
| C13 | C12 | H12 | 109.4° | 109.5° |
| C13 | C12 | H12A | 109.4° | 109.5° |
| C12 | C13 | H13 | 102.8° | 109.5° |
| C14 | C13 | C15 | 108.7° | 109.4° |
| C13 | C14 | C20 | 102.4° | 109.5° |
| C14 | C13 | H13 | 109.6° | 109.5° |
| C13 | C14 | H14 | 111.9° | 109.5° |
| C13 | C14 | H14A | 111.9° | 109.5° |
| C15 | C13 | H13 | 107.6° | 109.5° |
| C13 | C15 | H15 | 108.5° | 109.5° |
| C13 | C15 | H15A | 108.5° | 109.5° |
| C14 | C20 | C18 | 110.0° | 109.4° |
| C20 | C14 | H14 | 111.9° | 109.5° |
| C20 | C14 | H14A | 111.9° | 109.5° |
| C14 | C20 | H20 | 109.3° | 109.4° |
| C14 | C20 | H20A | 109.3° | 109.5° |
| C16 | C17 | O18 | 111.4° | 109.5° |
| C16 | C17 | C19 | 110.4° | 109.5° |
| C17 | C16 | H16 | 109.6° | 109.5° |
| C17 | C16 | H16A | 109.6° | 109.5° |
| C16 | C17 | H17 | 107.9° | 109.4° |
| O18 | C17 | C19 | 110.6° | 109.5° |
| O18 | C17 | H17 | 107.7° | 109.5° |
| C17 | O18 | HO18 | 109.5° | 114.0° |
| C17 | C19 | N20 | 109.9° | 109.5° |
| C17 | C19 | C32 | 113.0° | 109.5° |
| C19 | C17 | H17 | 108.7° | 109.4° |
| C17 | C19 | H19 | 106.8° | 109.5° |
| C20 | C18 | H18 | 108.1° | 109.4° |
| C20 | C18 | H18A | 108.1° | 109.5° |
| C18 | C20 | H20 | 109.3° | 109.5° |
| C18 | C20 | H20A | 109.3° | 109.5° |
| N20 | C19 | C32 | 109.5° | 109.5° |
| C19 | N20 | C21 | 125.8° | 120.0° |
| N20 | C19 | H19 | 110.4° | 109.5° |
| C19 | N20 | HN20 | 117.1° | 119.9° |
| C19 | C32 | C38 | 108.9° | 109.5° |
| C32 | C19 | H19 | 107.2° | 109.4° |
| C19 | C32 | H32 | 109.7° | 109.5° |
| C19 | C32 | H32A | 109.7° | 109.5° |
| N20 | C21 | C22 | 116.6° | 120.0° |
| N20 | C21 | O22 | 126.1° | 120.0° |
| C21 | N20 | HN20 | 117.1° | 120.1° |
| C22 | C21 | O22 | 117.2° | 120.0° |
| C21 | C22 | C23 | 120.0° | 120.1° |
| C21 | C22 | C27 | 119.5° | 120.1° |
| C23 | C22 | C27 | 120.4° | 119.7° |
| C22 | C23 | C24 | 121.1° | 120.0° |
| C22 | C23 | H23 | 119.4° | 120.0° |
| C22 | C27 | C26 | 118.2° | 119.8° |
| C22 | C27 | H27 | 120.9° | 120.1° |
| C23 | C24 | C25 | 118.8° | 120.2° |
| C24 | C23 | H23 | 119.4° | 120.1° |
| C23 | C24 | H24 | 120.6° | 119.9° |
| C24 | C25 | C26 | 119.5° | 120.2° |
| C25 | C24 | H24 | 120.6° | 119.9° |
| C24 | C25 | H25 | 120.2° | 119.9° |
| C25 | C26 | C27 | 121.9° | 120.0° |
| C25 | C26 | O27 | 119.0° | 120.0° |
| C26 | C25 | H25 | 120.3° | 119.9° |
| C27 | C26 | O27 | 119.1° | 120.0° |
| C26 | C27 | H27 | 120.9° | 120.1° |
| C26 | O27 | HO27 | 109.5° | 114.0° |
| C32 | C38 | C33 | 119.3° | 120.0° |
| C32 | C38 | C37 | 122.0° | 120.0° |
| C38 | C32 | H32 | 109.7° | 109.4° |
| C38 | C32 | H32A | 109.7° | 109.4° |
| C34 | C33 | C38 | 121.3° | 120.0° |
| C33 | C34 | C35 | 119.6° | 120.0° |
| C34 | C33 | H33 | 119.3° | 120.0° |
| C33 | C34 | H34 | 120.2° | 120.0° |
| C33 | C38 | C37 | 118.7° | 120.0° |
| C38 | C33 | H33 | 119.4° | 120.0° |
| C34 | C35 | C36 | 119.2° | 120.0° |
| C35 | C34 | H34 | 120.2° | 120.0° |
| C34 | C35 | H35 | 120.4° | 120.0° |
| C35 | C36 | C37 | 120.9° | 120.0° |
| C36 | C35 | H35 | 120.4° | 120.0° |
| C35 | C36 | H36 | 119.5° | 120.0° |
| C36 | C37 | C38 | 120.4° | 120.0° |
| C37 | C36 | H36 | 119.6° | 119.9° |
| C36 | C37 | H37 | 119.8° | 120.0° |
| C38 | C37 | H37 | 119.8° | 120.0° |
| H11 | C11 | H11A | 111.3° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H14 | C14 | H14A | 106.9° | 109.5° |
| H15 | C15 | H15A | 110.4° | 109.5° |
| H16 | C16 | H16A | 109.4° | 109.5° |
| H18 | C18 | H18A | 110.8° | 109.5° |
| H20 | C20 | H20A | 109.7° | 109.5° |
| H32 | C32 | H32A | 109.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | S1 | H1 | 180.0° | 179.7° |
| N1 | C1 | S1 | C3 | 0.2° | 0.0° |
| C1 | N1 | C2 | C3 | 2.0° | 0.1° |
| C1 | N1 | C2 | C7 | 179.8° | 179.9° |
| S1 | C1 | N1 | C2 | 1.1° | 0.1° |
| C1 | S1 | C3 | C2 | 1.4° | 0.0° |
| C1 | S1 | C3 | C4 | 179.6° | 180.0° |
| N1 | C2 | C3 | S1 | 2.2° | 0.0° |
| N1 | C2 | C3 | C7 | 178.0° | 179.9° |
| N1 | C2 | C3 | C4 | 178.7° | 180.0° |
| N1 | C2 | C7 | C6 | 179.0° | 179.9° |
| C2 | N1 | C1 | H1 | 178.9° | 179.7° |
| N1 | C2 | C7 | H7 | 1.0° | 0.1° |
| S1 | C3 | C2 | C4 | 179.1° | 180.0° |
| S1 | C3 | C2 | C7 | 179.8° | 179.9° |
| S1 | C3 | C4 | C5 | 178.0° | 180.0° |
| C3 | S1 | C1 | H1 | 179.8° | 179.7° |
| S1 | C3 | C4 | H4 | 2.0° | 0.0° |
| C2 | C3 | C4 | C5 | 1.0° | 0.0° |
| C3 | C2 | C7 | C6 | 1.4° | 0.2° |
| C2 | C3 | C4 | H4 | 179.0° | 180.0° |
| C3 | C2 | C7 | H7 | 178.6° | 180.0° |
| C7 | C2 | C3 | C4 | 0.6° | 0.1° |
| C2 | C7 | C6 | C5 | 0.4° | 0.2° |
| C2 | C7 | C6 | H7 | 180.0° | 179.8° |
| C2 | C7 | C6 | H6 | 179.6° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.9° | 0.0° |
| C3 | C4 | C5 | S8 | 177.0° | 180.0° |
| C4 | C5 | C6 | S8 | 175.4° | 180.0° |
| C4 | C5 | C6 | C7 | 1.2° | 0.1° |
| C4 | C5 | S8 | O9 | 24.4° | 156.5° |
| C4 | C5 | S8 | O10 | 148.7° | 23.5° |
| C4 | C5 | S8 | N11 | 91.3° | 90.0° |
| C4 | C5 | C6 | H6 | 178.8° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C6 | C5 | S8 | O9 | 160.5° | 23.5° |
| C6 | C5 | S8 | O10 | 36.2° | 156.4° |
| C6 | C5 | S8 | N11 | 83.8° | 90.0° |
| C6 | C5 | C4 | H4 | 178.1° | 180.0° |
| C5 | C6 | C7 | H7 | 179.6° | 180.0° |
| S8 | C5 | C6 | C7 | 176.6° | 179.9° |
| C5 | S8 | O9 | O10 | 124.5° | 123.0° |
| C5 | S8 | O9 | N11 | 117.5° | 114.1° |
| C5 | S8 | O10 | N11 | 120.3° | 114.1° |
| C5 | S8 | N11 | C12 | 37.9° | 90.0° |
| C5 | S8 | N11 | C16 | 87.9° | 90.0° |
| S8 | C5 | C4 | H4 | 3.0° | 0.0° |
| S8 | C5 | C6 | H6 | 3.4° | 0.0° |
| O9 | S8 | O10 | N11 | 116.6° | 123.0° |
| O9 | S8 | N11 | C12 | 79.9° | 23.5° |
| O9 | S8 | N11 | C16 | 154.3° | 156.5° |
| O10 | S8 | N11 | C12 | 160.0° | 156.5° |
| O10 | S8 | N11 | C16 | 34.2° | 23.5° |
| S8 | N11 | C12 | C16 | 126.7° | 180.0° |
| S8 | N11 | C12 | C13 | 111.3° | 92.4° |
| S8 | N11 | C16 | C17 | 121.6° | 93.6° |
| S8 | N11 | C12 | H12 | 8.7° | 147.6° |
| S8 | N11 | C12 | H12A | 128.7° | 27.6° |
| S8 | N11 | C16 | H16 | 118.3° | 146.5° |
| S8 | N11 | C16 | H16A | 1.6° | 26.5° |
| C15 | C11 | C18 | H11 | 120.0° | 120.0° |
| C15 | C11 | C18 | H11A | 120.0° | 119.9° |
| C11 | C15 | C13 | C12 | 155.0° | 180.0° |
| C11 | C15 | C13 | C14 | 27.4° | 60.1° |
| C11 | C15 | C13 | H15 | 120.0° | 120.0° |
| C11 | C15 | C13 | H15A | 120.0° | 120.0° |
| C15 | C11 | C18 | C20 | 38.1° | 60.1° |
| C15 | C11 | H11 | H11A | 117.5° | 120.0° |
| C11 | C15 | C13 | H13 | 91.2° | 60.0° |
| C11 | C15 | H15 | H15A | 118.9° | 119.9° |
| C15 | C11 | C18 | H18 | 81.8° | 180.0° |
| C15 | C11 | C18 | H18A | 158.1° | 60.0° |
| C18 | C11 | C15 | C13 | 29.1° | 60.1° |
| C11 | C18 | C20 | C14 | 11.3° | 60.1° |
| C11 | C18 | C20 | H18 | 120.0° | 120.0° |
| C11 | C18 | C20 | H18A | 120.0° | 120.0° |
| C18 | C11 | H11 | H11A | 117.6° | 120.0° |
| C18 | C11 | C15 | H15 | 149.1° | 60.0° |
| C18 | C11 | C15 | H15A | 90.9° | 180.0° |
| C11 | C18 | H18 | H18A | 118.3° | 120.0° |
| C11 | C18 | C20 | H20 | 131.2° | 180.0° |
| C11 | C18 | C20 | H20A | 108.7° | 59.9° |
| N11 | C12 | C13 | H12 | 120.0° | 120.0° |
| N11 | C12 | C13 | H12A | 120.0° | 120.0° |
| N11 | C12 | C13 | C14 | 42.8° | 175.1° |
| N11 | C12 | C13 | C15 | 168.2° | 65.0° |
| C12 | N11 | C16 | C17 | 112.3° | 86.5° |
| N11 | C12 | H12 | H12A | 119.9° | 120.0° |
| N11 | C12 | C13 | H13 | 75.3° | 55.1° |
| C12 | N11 | C16 | H16 | 7.7° | 33.5° |
| C12 | N11 | C16 | H16A | 127.7° | 153.5° |
| C16 | N11 | C12 | C13 | 122.0° | 87.6° |
| N11 | C16 | C17 | H16 | 120.0° | 119.9° |
| N11 | C16 | C17 | H16A | 120.0° | 120.0° |
| N11 | C16 | C17 | O18 | 161.4° | 64.9° |
| N11 | C16 | C17 | C19 | 75.2° | 175.0° |
| C16 | N11 | C12 | H12 | 118.0° | 32.4° |
| C16 | N11 | C12 | H12A | 2.0° | 152.4° |
| N11 | C16 | H16 | H16A | 120.1° | 120.0° |
| N11 | C16 | C17 | H17 | 43.4° | 55.1° |
| C12 | C13 | C14 | C15 | 128.6° | 120.0° |
| C12 | C13 | C14 | H13 | 114.0° | 120.0° |
| C12 | C13 | C15 | H13 | 113.7° | 120.0° |
| C12 | C13 | C14 | C20 | 154.8° | 180.0° |
| C13 | C12 | H12 | H12A | 119.9° | 120.1° |
| C12 | C13 | C14 | H14 | 85.2° | 60.0° |
| C12 | C13 | C14 | H14A | 34.8° | 60.0° |
| C12 | C13 | C15 | H15 | 35.0° | 60.0° |
| C12 | C13 | C15 | H15A | 84.9° | 60.0° |
| C14 | C13 | C15 | H13 | 118.7° | 120.0° |
| C13 | C14 | C20 | H14 | 120.0° | 120.0° |
| C13 | C14 | C20 | H14A | 120.0° | 120.0° |
| C13 | C14 | C20 | C18 | 66.6° | 60.1° |
| C14 | C13 | C12 | H12 | 162.8° | 65.0° |
| C14 | C13 | C12 | H12A | 77.2° | 55.1° |
| C13 | C14 | H14 | H14A | 122.9° | 120.0° |
| C14 | C13 | C15 | H15 | 92.6° | 60.0° |
| C14 | C13 | C15 | H15A | 147.5° | 180.0° |
| C13 | C14 | C20 | H20 | 173.4° | 180.0° |
| C13 | C14 | C20 | H20A | 53.4° | 59.9° |
| C15 | C13 | C14 | C20 | 76.6° | 60.1° |
| C13 | C15 | C11 | H11 | 149.1° | 59.9° |
| C13 | C15 | C11 | H11A | 90.9° | 180.0° |
| C15 | C13 | C12 | H12 | 71.8° | 55.0° |
| C15 | C13 | C12 | H12A | 48.2° | 175.0° |
| C15 | C13 | C14 | H14 | 43.4° | 60.0° |
| C15 | C13 | C14 | H14A | 163.4° | 180.0° |
| C13 | C15 | H15 | H15A | 118.8° | 120.0° |
| C14 | C20 | C18 | H20 | 120.0° | 119.9° |
| C14 | C20 | C18 | H20A | 120.0° | 120.0° |
| C20 | C14 | C13 | H13 | 40.8° | 60.0° |
| C20 | C14 | H14 | H14A | 122.9° | 120.0° |
| C14 | C20 | C18 | H18 | 131.2° | 180.0° |
| C14 | C20 | C18 | H18A | 108.7° | 60.0° |
| C14 | C20 | H20 | H20A | 119.8° | 120.0° |
| C16 | C17 | O18 | C19 | 123.2° | 120.0° |
| C16 | C17 | O18 | H17 | 118.1° | 120.0° |
| C16 | C17 | C19 | H17 | 118.1° | 119.9° |
| C16 | C17 | C19 | N20 | 171.0° | 175.0° |
| C16 | C17 | C19 | C32 | 66.4° | 65.0° |
| C17 | C16 | H16 | H16A | 120.1° | 120.1° |
| C16 | C17 | O18 | HO18 | 180.0° | 60.0° |
| C16 | C17 | C19 | H19 | 51.2° | 54.9° |
| O18 | C17 | C19 | H17 | 118.1° | 120.0° |
| O18 | C17 | C19 | N20 | 65.2° | 65.0° |
| O18 | C17 | C19 | C32 | 57.4° | 55.0° |
| O18 | C17 | C16 | H16 | 41.4° | 55.0° |
| O18 | C17 | C16 | H16A | 78.6° | 175.1° |
| O18 | C17 | C19 | H19 | 175.0° | 175.0° |
| C17 | C19 | N20 | C32 | 124.7° | 120.0° |
| C17 | C19 | N20 | H19 | 117.5° | 120.0° |
| C17 | C19 | C32 | H19 | 117.3° | 120.0° |
| C17 | C19 | N20 | C21 | 111.7° | 155.0° |
| C17 | C19 | C32 | C38 | 179.8° | 175.0° |
| C19 | C17 | C16 | H16 | 164.8° | 65.0° |
| C19 | C17 | C16 | H16A | 44.8° | 55.0° |
| C19 | C17 | O18 | HO18 | 56.8° | 60.0° |
| C17 | C19 | N20 | HN20 | 68.4° | 25.0° |
| C17 | C19 | C32 | H32 | 59.8° | 65.0° |
| C17 | C19 | C32 | H32A | 60.2° | 55.0° |
| C20 | C18 | C11 | H11 | 158.1° | 59.9° |
| C20 | C18 | C11 | H11A | 81.8° | 180.0° |
| C18 | C20 | C14 | H14 | 53.4° | 60.0° |
| C18 | C20 | C14 | H14A | 173.4° | 180.0° |
| C20 | C18 | H18 | H18A | 118.3° | 120.0° |
| C18 | C20 | H20 | H20A | 119.8° | 120.1° |
| N20 | C19 | C32 | H19 | 119.8° | 120.0° |
| C19 | N20 | C21 | HN20 | 180.0° | 180.0° |
| C19 | N20 | C21 | C22 | 161.2° | 180.0° |
| C19 | N20 | C21 | O22 | 15.2° | 0.0° |
| N20 | C19 | C32 | C38 | 56.9° | 65.0° |
| N20 | C19 | C17 | H17 | 52.9° | 55.0° |
| N20 | C19 | C32 | H32 | 63.1° | 55.0° |
| N20 | C19 | C32 | H32A | 176.9° | 175.1° |
| C32 | C19 | N20 | C21 | 123.7° | 85.0° |
| C19 | C32 | C38 | H32 | 120.0° | 120.0° |
| C19 | C32 | C38 | H32A | 120.0° | 120.0° |
| C19 | C32 | C38 | C33 | 102.8° | 90.0° |
| C19 | C32 | C38 | C37 | 76.2° | 90.0° |
| C32 | C19 | C17 | H17 | 175.5° | 175.0° |
| C32 | C19 | N20 | HN20 | 56.3° | 95.0° |
| C19 | C32 | H32 | H32A | 120.3° | 120.1° |
| N20 | C21 | C22 | O22 | 176.8° | 180.0° |
| N20 | C21 | C22 | C23 | 44.4° | 0.0° |
| N20 | C21 | C22 | C27 | 135.0° | 179.7° |
| C21 | N20 | C19 | H19 | 5.8° | 34.9° |
| C21 | C22 | C23 | C27 | 179.4° | 179.8° |
| C21 | C22 | C23 | C24 | 179.4° | 180.0° |
| C21 | C22 | C27 | C26 | 179.6° | 179.7° |
| C22 | C21 | N20 | HN20 | 18.7° | 0.0° |
| C21 | C22 | C23 | H23 | 0.5° | 0.0° |
| C21 | C22 | C27 | H27 | 0.4° | 0.1° |
| O22 | C21 | C22 | C23 | 132.4° | 180.0° |
| O22 | C21 | C22 | C27 | 48.2° | 0.2° |
| O22 | C21 | N20 | HN20 | 164.8° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 1.0° | 0.1° |
| C23 | C22 | C27 | C26 | 1.0° | 0.6° |
| C22 | C23 | C24 | H24 | 179.0° | 179.9° |
| C23 | C22 | C27 | H27 | 179.0° | 179.7° |
| C27 | C22 | C23 | C24 | 0.1° | 0.2° |
| C22 | C27 | C26 | C25 | 1.0° | 0.6° |
| C22 | C27 | C26 | H27 | 180.0° | 179.8° |
| C22 | C27 | C26 | O27 | 178.9° | 179.7° |
| C27 | C22 | C23 | H23 | 179.9° | 179.8° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 1.0° | 0.0° |
| C23 | C24 | C25 | H25 | 179.0° | 179.9° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.3° |
| C24 | C25 | C26 | O27 | 180.0° | 180.0° |
| C25 | C24 | C23 | H23 | 179.1° | 179.9° |
| C25 | C26 | C27 | O27 | 179.9° | 179.7° |
| C26 | C25 | C24 | H24 | 179.0° | 179.9° |
| C25 | C26 | C27 | H27 | 179.0° | 179.6° |
| C25 | C26 | O27 | HO27 | 180.0° | 89.9° |
| C27 | C26 | C25 | H25 | 180.0° | 179.7° |
| C27 | C26 | O27 | HO27 | 0.1° | 89.7° |
| O27 | C26 | C25 | H25 | 0.0° | 0.0° |
| O27 | C26 | C27 | H27 | 1.1° | 0.1° |
| C32 | C38 | C33 | C34 | 179.1° | 180.0° |
| C32 | C38 | C33 | C37 | 179.1° | 180.0° |
| C32 | C38 | C37 | C36 | 178.7° | 180.0° |
| C38 | C32 | C19 | H19 | 62.9° | 55.0° |
| C38 | C32 | H32 | H32A | 120.2° | 120.0° |
| C32 | C38 | C33 | H33 | 0.9° | 0.3° |
| C32 | C38 | C37 | H37 | 1.3° | 0.1° |
| C34 | C33 | C38 | H33 | 180.0° | 179.7° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.6° | NaN° |
| C34 | C33 | C38 | C37 | 0.1° | 0.0° |
| C33 | C34 | C35 | H35 | 179.4° | 179.9° |
| C38 | C33 | C34 | C35 | 0.1° | NaN° |
| C33 | C38 | C37 | C36 | 0.3° | 0.0° |
| C33 | C38 | C32 | H32 | 17.2° | 30.0° |
| C33 | C38 | C32 | H32A | 137.2° | 150.0° |
| C38 | C33 | C34 | H34 | 179.9° | 180.0° |
| C33 | C38 | C37 | H37 | 179.7° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 1.0° | 0.0° |
| C35 | C34 | C33 | H33 | 179.9° | 179.7° |
| C34 | C35 | C36 | H36 | 179.0° | 179.9° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.8° | 0.0° |
| C36 | C35 | C34 | H34 | 179.4° | 180.0° |
| C35 | C36 | C37 | H37 | 179.1° | 180.0° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C37 | C36 | C35 | H35 | 179.0° | 179.9° |
| C37 | C38 | C32 | H32 | 163.8° | 150.0° |
| C37 | C38 | C32 | H32A | 43.8° | 30.0° |
| C37 | C38 | C33 | H33 | 180.0° | 179.7° |
| C38 | C37 | C36 | H36 | 179.1° | 180.0° |
| H6 | C6 | C7 | H7 | 0.4° | 0.1° |
| H11 | C11 | C15 | H15 | 90.9° | 180.0° |
| H11 | C11 | C15 | H15A | 29.1° | 60.0° |
| H11 | C11 | C18 | H18 | 38.2° | 60.0° |
| H11 | C11 | C18 | H18A | 81.9° | 180.0° |
| H11A | C11 | C15 | H15 | 29.1° | 59.9° |
| H11A | C11 | C15 | H15A | 149.0° | 60.0° |
| H11A | C11 | C18 | H18 | 158.2° | 60.1° |
| H11A | C11 | C18 | H18A | 38.1° | 60.0° |
| H12 | C12 | C13 | H13 | 44.8° | 175.0° |
| H12A | C12 | C13 | H13 | 164.8° | 64.9° |
| H13 | C13 | C14 | H14 | 160.8° | NaN° |
| H13 | C13 | C14 | H14A | 79.2° | 60.0° |
| H13 | C13 | C15 | H15 | 148.8° | 180.0° |
| H13 | C13 | C15 | H15A | 28.8° | 60.0° |
| H14 | C14 | C20 | H20 | 66.6° | 60.0° |
| H14 | C14 | C20 | H20A | 173.4° | 180.0° |
| H14A | C14 | C20 | H20 | 53.4° | 60.0° |
| H14A | C14 | C20 | H20A | 66.7° | 60.0° |
| H16 | C16 | C17 | H17 | 76.6° | 175.0° |
| H16A | C16 | C17 | H17 | 163.4° | 64.9° |
| H17 | C17 | O18 | HO18 | 61.9° | 180.0° |
| H17 | C17 | C19 | H19 | 66.9° | 65.0° |
| H18 | C18 | C20 | H20 | 108.8° | 60.1° |
| H18 | C18 | C20 | H20A | 11.2° | 60.0° |
| H18A | C18 | C20 | H20 | 11.3° | 59.9° |
| H18A | C18 | C20 | H20A | 131.3° | 180.0° |
| H19 | C19 | N20 | HN20 | 174.1° | 145.0° |
| H19 | C19 | C32 | H32 | 177.1° | 175.0° |
| H19 | C19 | C32 | H32A | 57.1° | 64.9° |
| H23 | C23 | C24 | H24 | 1.0° | 0.1° |
| H24 | C24 | C25 | H25 | 1.0° | 0.1° |
| H33 | C33 | C34 | H34 | 0.1° | 0.3° |
| H34 | C34 | C35 | H35 | 0.6° | 0.1° |
| H35 | C35 | C36 | H36 | 1.0° | 0.1° |
| H36 | C36 | C37 | H37 | 0.9° | 0.1° |
