F53
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.64Å | |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| O8 | C27 | sing | 1.43Å | 1.43Å | |
| O8 | C29 | sing | 1.44Å | 1.44Å | |
| S8 | O9 | doub | 1.42Å | 1.42Å | |
| S8 | O10 | doub | 1.42Å | 1.44Å | |
| 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 | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C20 | sing | 1.53Å | 1.52Å | |
| C15 | C18 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | O18 | sing | 1.43Å | 1.44Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | N20 | sing | 1.46Å | 1.44Å | |
| C19 | C32 | sing | 1.53Å | 1.53Å | |
| N20 | C21 | sing | 1.35Å | 1.33Å | |
| C21 | O22 | doub | 1.22Å | 1.21Å | |
| C21 | O23 | sing | 1.35Å | 1.44Å | |
| O23 | C24 | sing | 1.45Å | 1.42Å | |
| C24 | C25 | sing | 1.55Å | 1.53Å | |
| C24 | C31 | sing | 1.55Å | 1.51Å | |
| C25 | O26 | sing | 1.44Å | 1.43Å | |
| O26 | C27 | sing | 1.43Å | 1.42Å | |
| C27 | C31 | sing | 1.55Å | 1.51Å | |
| C29 | C30 | sing | 1.55Å | 1.52Å | |
| C30 | C31 | sing | 1.55Å | 1.53Å | |
| C32 | C38 | sing | 1.51Å | 1.52Å | |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | 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 | |
| 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 | |
| C18 | H18B | 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 | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 108.4° | 109.5° |
| O1 | C1 | H1 | 109.9° | 109.5° |
| O1 | C1 | H1A | 109.8° | 109.4° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C1 | C2 | C3 | 119.5° | 120.0° |
| C1 | C2 | C7 | 121.1° | 120.0° |
| C2 | C1 | H1 | 109.8° | 109.5° |
| C2 | C1 | H1A | 109.8° | 109.4° |
| C3 | C2 | C7 | 119.5° | 120.0° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | H3 | 120.0° | 120.0° |
| C2 | C7 | C6 | 120.5° | 120.0° |
| C2 | C7 | H7 | 119.7° | 120.0° |
| C3 | C4 | C5 | 121.7° | 120.0° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C3 | C4 | H4 | 119.2° | 120.0° |
| C4 | C5 | C6 | 117.3° | 120.0° |
| C4 | C5 | S8 | 121.7° | 120.0° |
| C5 | C4 | H4 | 119.2° | 120.0° |
| C6 | C5 | S8 | 120.9° | 120.0° |
| C5 | C6 | C7 | 121.0° | 120.0° |
| C5 | C6 | H6 | 119.5° | 120.0° |
| C5 | S8 | O9 | 109.1° | 106.4° |
| C5 | S8 | O10 | 110.3° | 106.4° |
| C5 | S8 | N11 | 111.2° | 107.3° |
| C7 | C6 | H6 | 119.5° | 120.0° |
| C6 | C7 | H7 | 119.7° | 120.0° |
| C27 | O8 | C29 | 109.7° | 110.2° |
| O8 | C27 | O26 | 108.5° | 109.2° |
| O8 | C27 | C31 | 109.2° | 107.3° |
| O8 | C27 | H27 | 109.9° | 110.7° |
| O8 | C29 | C30 | 105.7° | 105.1° |
| O8 | C29 | H29 | 110.7° | 110.3° |
| O8 | C29 | H29A | 110.8° | 110.3° |
| O9 | S8 | O10 | 114.2° | 123.1° |
| O9 | S8 | N11 | 104.2° | 106.4° |
| O10 | S8 | N11 | 107.8° | 106.3° |
| S8 | N11 | C12 | 112.5° | 120.0° |
| S8 | N11 | C16 | 115.0° | 120.0° |
| C12 | N11 | C16 | 117.7° | 120.0° |
| N11 | C12 | C13 | 108.6° | 109.5° |
| N11 | C12 | H12 | 109.7° | 109.5° |
| N11 | C12 | H12A | 109.8° | 109.5° |
| N11 | C16 | C17 | 109.0° | 109.5° |
| N11 | C16 | H16 | 109.6° | 109.4° |
| N11 | C16 | H16A | 109.6° | 109.5° |
| C12 | C13 | C14 | 112.4° | 109.4° |
| C12 | C13 | C15 | 109.5° | 109.5° |
| C13 | C12 | H12 | 109.8° | 109.4° |
| C13 | C12 | H12A | 109.7° | 109.5° |
| C12 | C13 | H13 | 108.3° | 109.5° |
| C14 | C13 | C15 | 111.8° | 109.5° |
| C13 | C14 | C20 | 114.0° | 109.5° |
| C14 | C13 | H13 | 105.8° | 109.5° |
| C13 | C14 | H14 | 108.0° | 109.5° |
| C13 | C14 | H14A | 108.0° | 109.5° |
| C13 | C15 | C18 | 113.3° | 109.5° |
| C15 | C13 | H13 | 108.9° | 109.5° |
| C13 | C15 | H15 | 108.2° | 109.5° |
| C13 | C15 | H15A | 108.2° | 109.5° |
| C20 | C14 | H14 | 108.0° | 109.5° |
| C20 | C14 | H14A | 108.0° | 109.4° |
| C14 | C20 | H20 | 109.5° | 109.5° |
| C14 | C20 | H20A | 109.5° | 109.5° |
| C14 | C20 | H20B | 109.5° | 109.4° |
| C18 | C15 | H15 | 108.2° | 109.4° |
| C18 | C15 | H15A | 108.2° | 109.5° |
| C15 | C18 | H18 | 109.5° | 109.5° |
| C15 | C18 | H18A | 109.5° | 109.4° |
| C15 | C18 | H18B | 109.4° | 109.5° |
| C16 | C17 | O18 | 111.5° | 109.5° |
| C16 | C17 | C19 | 112.1° | 109.5° |
| C17 | C16 | H16 | 109.6° | 109.5° |
| C17 | C16 | H16A | 109.6° | 109.5° |
| C16 | C17 | H17 | 106.1° | 109.5° |
| O18 | C17 | C19 | 109.0° | 109.5° |
| O18 | C17 | H17 | 109.4° | 109.5° |
| C17 | O18 | HO18 | 109.5° | 114.0° |
| C17 | C19 | N20 | 108.0° | 109.5° |
| C17 | C19 | C32 | 114.4° | 109.5° |
| C19 | C17 | H17 | 108.7° | 109.5° |
| C17 | C19 | H19 | 106.5° | 109.5° |
| N20 | C19 | C32 | 107.4° | 109.5° |
| C19 | N20 | C21 | 126.4° | 120.0° |
| N20 | C19 | H19 | 113.6° | 109.5° |
| C19 | N20 | HN20 | 116.8° | 120.0° |
| C19 | C32 | C38 | 109.9° | 109.5° |
| C32 | C19 | H19 | 107.1° | 109.4° |
| C19 | C32 | H32 | 109.3° | 109.4° |
| C19 | C32 | H32A | 109.3° | 109.5° |
| N20 | C21 | O22 | 130.1° | 120.0° |
| N20 | C21 | O23 | 111.7° | 120.0° |
| C21 | N20 | HN20 | 116.8° | 120.0° |
| O22 | C21 | O23 | 118.3° | 120.0° |
| C21 | O23 | C24 | 116.9° | 117.0° |
| O23 | C24 | C25 | 101.6° | 111.0° |
| O23 | C24 | C31 | 110.5° | 111.0° |
| O23 | C24 | H24 | 112.3° | 110.9° |
| C25 | C24 | C31 | 104.2° | 101.5° |
| C24 | C25 | O26 | 103.2° | 105.0° |
| C25 | C24 | H24 | 117.8° | 111.0° |
| C24 | C25 | H25 | 111.6° | 110.3° |
| C24 | C25 | H25A | 111.6° | 110.3° |
| C24 | C31 | C27 | 103.1° | 102.9° |
| C24 | C31 | C30 | 117.1° | 108.5° |
| C31 | C24 | H24 | 110.0° | 111.1° |
| C24 | C31 | H31 | 107.1° | 113.6° |
| C25 | O26 | C27 | 109.2° | 110.0° |
| O26 | C25 | H25 | 111.6° | 110.3° |
| O26 | C25 | H25A | 111.6° | 110.3° |
| O26 | C27 | C31 | 108.4° | 107.5° |
| O26 | C27 | H27 | 110.7° | 110.7° |
| C27 | C31 | C30 | 103.5° | 102.3° |
| C31 | C27 | H27 | 110.1° | 111.4° |
| C27 | C31 | H31 | 120.0° | 114.0° |
| C29 | C30 | C31 | 104.3° | 101.0° |
| C30 | C29 | H29 | 110.7° | 110.3° |
| C30 | C29 | H29A | 110.7° | 110.3° |
| C29 | C30 | H30 | 111.2° | 111.1° |
| C29 | C30 | H30A | 111.2° | 111.1° |
| C31 | C30 | H30 | 111.2° | 111.1° |
| C31 | C30 | H30A | 111.2° | 111.1° |
| C30 | C31 | H31 | 106.7° | 114.4° |
| C32 | C38 | C33 | 119.4° | 120.0° |
| C32 | C38 | C37 | 122.4° | 120.0° |
| C38 | C32 | H32 | 109.3° | 109.5° |
| C38 | C32 | H32A | 109.3° | 109.5° |
| C34 | C33 | C38 | 122.6° | 120.0° |
| C33 | C34 | C35 | 118.9° | 120.0° |
| C34 | C33 | H33 | 118.7° | 120.0° |
| C33 | C34 | H34 | 120.5° | 120.0° |
| C33 | C38 | C37 | 118.2° | 120.0° |
| C38 | C33 | H33 | 118.7° | 120.0° |
| C34 | C35 | C36 | 119.3° | 120.0° |
| C35 | C34 | H34 | 120.5° | 120.0° |
| C34 | C35 | H35 | 120.3° | 120.0° |
| C35 | C36 | C37 | 121.5° | 120.0° |
| C36 | C35 | H35 | 120.4° | 120.0° |
| C35 | C36 | H36 | 119.2° | 120.0° |
| C36 | C37 | C38 | 119.5° | 120.0° |
| C37 | C36 | H36 | 119.3° | 120.0° |
| C36 | C37 | H37 | 120.3° | 120.0° |
| C38 | C37 | H37 | 120.3° | 120.0° |
| H1 | C1 | H1A | 109.1° | 109.5° |
| H12 | C12 | H12A | 109.2° | 109.4° |
| H14 | C14 | H14A | 110.9° | 109.4° |
| H15 | C15 | H15A | 110.7° | 109.4° |
| H16 | C16 | H16A | 109.3° | 109.5° |
| H18 | C18 | H18A | 109.5° | 109.4° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H20 | C20 | H20B | 109.5° | 109.4° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| H25 | C25 | H25A | 107.3° | 110.4° |
| H29 | C29 | H29A | 108.2° | 110.4° |
| H30 | C30 | H30A | 107.6° | 111.0° |
| H32 | C32 | H32A | 109.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H1 | 120.0° | 120.0° |
| O1 | C1 | C2 | H1A | 120.0° | 120.0° |
| O1 | C1 | C2 | C3 | 91.1° | 90.0° |
| O1 | C1 | C2 | C7 | 89.2° | 90.2° |
| O1 | C1 | H1 | H1A | 120.4° | 120.0° |
| C1 | C2 | C3 | C7 | 179.8° | 179.8° |
| C1 | C2 | C3 | C4 | 179.2° | 180.0° |
| C1 | C2 | C7 | C6 | 179.3° | 179.8° |
| C2 | C1 | H1 | H1A | 120.4° | 120.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 0.8° | 0.0° |
| C1 | C2 | C7 | H7 | 0.7° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.1° |
| C3 | C2 | C7 | C6 | 0.9° | 0.4° |
| C3 | C2 | C1 | H1 | 148.9° | 30.0° |
| C3 | C2 | C1 | H1A | 28.9° | 150.0° |
| C2 | C3 | C4 | H4 | 179.2° | 179.9° |
| C3 | C2 | C7 | H7 | 179.1° | 179.7° |
| C7 | C2 | C3 | C4 | 0.6° | 0.2° |
| C2 | C7 | C6 | C5 | 2.4° | 0.3° |
| C2 | C7 | C6 | H7 | 180.0° | 179.9° |
| C7 | C2 | C1 | H1 | 30.9° | 149.8° |
| C7 | C2 | C1 | H1A | 150.8° | 29.8° |
| C7 | C2 | C3 | H3 | 179.4° | 179.8° |
| C2 | C7 | C6 | H6 | 177.6° | 179.8° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C3 | C4 | C5 | S8 | 176.9° | 179.9° |
| C4 | C5 | C6 | S8 | 176.3° | 179.9° |
| C4 | C5 | C6 | C7 | 2.2° | 0.1° |
| C4 | C5 | S8 | O9 | 20.4° | 156.5° |
| C4 | C5 | S8 | O10 | 146.6° | 23.6° |
| C4 | C5 | S8 | N11 | 94.0° | 89.9° |
| C5 | C4 | C3 | H3 | 179.2° | 180.0° |
| C4 | C5 | C6 | H6 | 177.8° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C6 | C5 | S8 | O9 | 163.4° | 23.5° |
| C6 | C5 | S8 | O10 | 37.2° | 156.5° |
| C6 | C5 | S8 | N11 | 82.2° | 90.0° |
| C6 | C5 | C4 | H4 | 179.4° | 180.0° |
| C5 | C6 | C7 | H7 | 177.6° | 179.8° |
| S8 | C5 | C6 | C7 | 178.5° | 179.9° |
| C5 | S8 | O9 | O10 | 123.9° | 123.0° |
| C5 | S8 | O9 | N11 | 118.8° | 114.2° |
| C5 | S8 | O10 | N11 | 121.5° | 114.1° |
| C5 | S8 | N11 | C12 | 49.3° | 97.5° |
| C5 | S8 | N11 | C16 | 89.2° | 82.4° |
| S8 | C5 | C4 | H4 | 3.1° | 0.1° |
| S8 | C5 | C6 | H6 | 1.5° | 0.0° |
| O8 | C27 | C31 | C24 | 110.3° | 133.7° |
| O8 | C27 | O26 | C25 | 133.1° | 109.2° |
| O8 | C27 | O26 | C31 | 118.5° | 116.0° |
| O8 | C27 | O26 | H27 | 120.7° | 122.1° |
| O8 | C27 | C31 | H27 | 120.7° | 121.3° |
| C27 | O8 | C29 | C30 | 20.8° | 24.6° |
| O8 | C27 | C31 | C30 | 12.2° | 21.2° |
| C27 | O8 | C29 | H29 | 140.8° | 94.3° |
| C27 | O8 | C29 | H29A | 99.2° | 143.6° |
| O8 | C27 | C31 | H31 | 130.9° | 102.8° |
| C29 | O8 | C27 | O26 | 112.7° | 118.2° |
| C29 | O8 | C27 | C31 | 5.3° | 2.0° |
| O8 | C29 | C30 | H29 | 120.0° | 118.9° |
| O8 | C29 | C30 | H29A | 120.0° | 118.9° |
| O8 | C29 | C30 | C31 | 27.7° | 36.6° |
| C29 | O8 | C27 | H27 | 126.2° | 119.7° |
| O8 | C29 | H29 | H29A | 121.6° | 122.1° |
| O8 | C29 | C30 | H30 | 92.3° | 154.5° |
| O8 | C29 | C30 | H30A | 147.8° | 81.3° |
| O9 | S8 | O10 | N11 | 115.3° | 122.9° |
| O9 | S8 | N11 | C12 | 68.0° | 16.1° |
| O9 | S8 | N11 | C16 | 153.4° | 164.0° |
| O10 | S8 | N11 | C12 | 170.3° | 149.0° |
| O10 | S8 | N11 | C16 | 31.7° | 31.1° |
| S8 | N11 | C12 | C16 | 137.3° | 179.9° |
| S8 | N11 | C12 | C13 | 136.4° | 96.2° |
| S8 | N11 | C16 | C17 | 116.2° | 93.3° |
| S8 | N11 | C12 | H12 | 16.4° | 143.9° |
| S8 | N11 | C12 | H12A | 103.6° | 23.9° |
| S8 | N11 | C16 | H16 | 123.9° | 146.7° |
| S8 | N11 | C16 | H16A | 3.9° | 26.7° |
| N11 | C12 | C13 | H12 | 120.0° | 120.0° |
| N11 | C12 | C13 | H12A | 120.0° | 120.1° |
| N11 | C12 | C13 | C14 | 63.5° | 65.0° |
| N11 | C12 | C13 | C15 | 171.5° | 55.0° |
| C12 | N11 | C16 | C17 | 107.6° | 86.6° |
| N11 | C12 | H12 | H12A | 120.4° | 120.1° |
| N11 | C12 | C13 | H13 | 52.9° | 175.0° |
| C12 | N11 | C16 | H16 | 12.4° | 33.4° |
| C12 | N11 | C16 | H16A | 132.4° | 153.4° |
| C16 | N11 | C12 | C13 | 86.3° | 83.9° |
| N11 | C16 | C17 | H16 | 120.0° | 120.0° |
| N11 | C16 | C17 | H16A | 120.0° | 120.0° |
| N11 | C16 | C17 | O18 | 165.2° | 65.0° |
| N11 | C16 | C17 | C19 | 72.3° | 175.0° |
| C16 | N11 | C12 | H12 | 153.7° | 36.0° |
| C16 | N11 | C12 | H12A | 33.7° | 156.1° |
| N11 | C16 | H16 | H16A | 120.2° | 120.0° |
| N11 | C16 | C17 | H17 | 46.2° | 55.0° |
| C12 | C13 | C14 | C15 | 123.7° | 120.0° |
| C12 | C13 | C14 | H13 | 117.9° | 120.0° |
| C12 | C13 | C15 | H13 | 118.2° | 120.0° |
| C12 | C13 | C14 | C20 | 174.9° | 68.1° |
| C12 | C13 | C15 | C18 | 64.6° | 65.6° |
| C13 | C12 | H12 | H12A | 120.3° | 119.9° |
| C12 | C13 | C14 | H14 | 54.9° | 52.0° |
| C12 | C13 | C14 | H14A | 65.1° | 171.9° |
| C12 | C13 | C15 | H15 | 55.4° | 174.4° |
| C12 | C13 | C15 | H15A | 175.4° | 54.4° |
| C14 | C13 | C15 | H13 | 116.5° | 120.0° |
| C13 | C14 | C20 | H14 | 120.0° | 120.1° |
| C13 | C14 | C20 | H14A | 120.0° | 120.0° |
| C14 | C13 | C15 | C18 | 60.7° | 174.4° |
| C14 | C13 | C12 | H12 | 56.5° | 175.0° |
| C14 | C13 | C12 | H12A | 176.5° | 55.1° |
| C13 | C14 | H14 | H14A | 118.1° | 120.0° |
| C14 | C13 | C15 | H15 | 179.3° | 54.5° |
| C14 | C13 | C15 | H15A | 59.3° | 65.5° |
| C13 | C14 | C20 | H20 | 180.0° | 179.3° |
| C13 | C14 | C20 | H20A | 60.0° | 60.6° |
| C13 | C14 | C20 | H20B | 60.0° | 59.4° |
| C15 | C13 | C14 | C20 | 61.4° | 172.0° |
| C13 | C15 | C18 | H15 | 120.0° | 120.0° |
| C13 | C15 | C18 | H15A | 120.0° | 120.1° |
| C15 | C13 | C12 | H12 | 68.5° | 65.0° |
| C15 | C13 | C12 | H12A | 51.5° | 175.0° |
| C15 | C13 | C14 | H14 | 178.6° | 68.0° |
| C15 | C13 | C14 | H14A | 58.6° | 52.0° |
| C13 | C15 | H15 | H15A | 118.5° | 120.0° |
| C13 | C15 | C18 | H18 | 180.0° | 180.0° |
| C13 | C15 | C18 | H18A | 60.0° | 60.0° |
| C13 | C15 | C18 | H18B | 60.0° | 60.0° |
| C20 | C14 | C13 | H13 | 57.0° | 51.9° |
| C20 | C14 | H14 | H14A | 118.1° | 119.9° |
| C14 | C20 | H20 | H20A | 120.0° | 120.0° |
| C14 | C20 | H20 | H20B | 120.0° | 119.9° |
| C14 | C20 | H20A | H20B | 120.0° | 120.0° |
| C18 | C15 | C13 | H13 | 177.2° | 54.4° |
| C18 | C15 | H15 | H15A | 118.4° | 120.0° |
| C15 | C18 | H18 | H18A | 120.0° | 120.0° |
| C15 | C18 | H18 | H18B | 120.0° | 120.1° |
| C15 | C18 | H18A | H18B | 120.0° | 120.0° |
| C16 | C17 | O18 | C19 | 124.2° | 120.0° |
| C16 | C17 | O18 | H17 | 117.0° | 120.0° |
| C16 | C17 | C19 | H17 | 117.0° | 120.0° |
| C16 | C17 | C19 | N20 | 169.1° | 175.0° |
| C16 | C17 | C19 | C32 | 71.4° | 65.0° |
| C17 | C16 | H16 | H16A | 120.2° | 120.0° |
| C16 | C17 | O18 | HO18 | 180.0° | 60.0° |
| C16 | C17 | C19 | H19 | 46.8° | 54.9° |
| O18 | C17 | C19 | H17 | 119.2° | 120.0° |
| O18 | C17 | C19 | N20 | 67.0° | 65.0° |
| O18 | C17 | C19 | C32 | 52.5° | 55.0° |
| O18 | C17 | C16 | H16 | 45.3° | 55.0° |
| O18 | C17 | C16 | H16A | 74.8° | 175.0° |
| O18 | C17 | C19 | H19 | 170.6° | 175.0° |
| C17 | C19 | N20 | C32 | 123.8° | 120.0° |
| C17 | C19 | N20 | H19 | 117.9° | 120.0° |
| C17 | C19 | C32 | H19 | 117.8° | 120.0° |
| C17 | C19 | N20 | C21 | 108.9° | 155.0° |
| C17 | C19 | C32 | C38 | 179.6° | 175.0° |
| C19 | C17 | C16 | H16 | 167.7° | 65.0° |
| C19 | C17 | C16 | H16A | 47.7° | 55.0° |
| C19 | C17 | O18 | HO18 | 55.8° | 60.0° |
| C17 | C19 | N20 | HN20 | 71.1° | 25.0° |
| C17 | C19 | C32 | H32 | 60.4° | 65.0° |
| C17 | C19 | C32 | H32A | 59.7° | 55.0° |
| N20 | C19 | C32 | H19 | 122.4° | 120.0° |
| C19 | N20 | C21 | HN20 | 180.0° | 180.0° |
| C19 | N20 | C21 | O22 | 1.1° | 0.0° |
| C19 | N20 | C21 | O23 | 178.2° | 180.0° |
| N20 | C19 | C32 | C38 | 60.5° | 65.0° |
| N20 | C19 | C17 | H17 | 52.2° | 55.0° |
| N20 | C19 | C32 | H32 | 59.5° | 55.0° |
| N20 | C19 | C32 | H32A | 179.5° | 175.0° |
| C32 | C19 | N20 | C21 | 127.3° | 85.0° |
| C19 | C32 | C38 | H32 | 120.0° | 120.0° |
| C19 | C32 | C38 | H32A | 120.0° | 120.0° |
| C19 | C32 | C38 | C33 | 111.8° | 90.0° |
| C19 | C32 | C38 | C37 | 69.3° | 90.0° |
| C32 | C19 | C17 | H17 | 171.7° | 175.0° |
| C32 | C19 | N20 | HN20 | 52.7° | 95.0° |
| C19 | C32 | H32 | H32A | 119.8° | 120.0° |
| N20 | C21 | O22 | O23 | 179.3° | 179.9° |
| N20 | C21 | O23 | C24 | 167.5° | 180.0° |
| C21 | N20 | C19 | H19 | 9.0° | 35.0° |
| O22 | C21 | O23 | C24 | 13.0° | 0.1° |
| O22 | C21 | N20 | HN20 | 178.8° | 179.9° |
| C21 | O23 | C24 | C25 | 145.3° | 91.4° |
| C21 | O23 | C24 | C31 | 104.6° | 156.5° |
| O23 | C21 | N20 | HN20 | 1.8° | 0.0° |
| C21 | O23 | C24 | H24 | 18.5° | 32.5° |
| O23 | C24 | C25 | C31 | 114.8° | 118.0° |
| O23 | C24 | C25 | H24 | 123.1° | 123.9° |
| O23 | C24 | C31 | H24 | 124.5° | 123.9° |
| O23 | C24 | C25 | O26 | 80.3° | 154.3° |
| O23 | C24 | C31 | C27 | 82.9° | 149.2° |
| O23 | C24 | C31 | C30 | 30.0° | 41.3° |
| O23 | C24 | C25 | H25 | 159.7° | 86.8° |
| O23 | C24 | C25 | H25A | 39.7° | 35.4° |
| O23 | C24 | C31 | H31 | 149.7° | 87.1° |
| C25 | C24 | C31 | H24 | 127.2° | 118.1° |
| C24 | C25 | O26 | H25 | 120.0° | 118.9° |
| C24 | C25 | O26 | H25A | 120.0° | 118.8° |
| C24 | C25 | O26 | C27 | 30.5° | 27.4° |
| C25 | C24 | C31 | C27 | 25.5° | 31.1° |
| C25 | C24 | C31 | C30 | 138.4° | 76.7° |
| C24 | C25 | H25 | H25A | 122.5° | 122.2° |
| C25 | C24 | C31 | H31 | 101.9° | 154.8° |
| C31 | C24 | C25 | O26 | 34.5° | 36.3° |
| C24 | C31 | C27 | O26 | 7.8° | 16.4° |
| C24 | C31 | C27 | C30 | 122.5° | 112.5° |
| C24 | C31 | C27 | H31 | 118.8° | 123.5° |
| C24 | C31 | C30 | C29 | 88.8° | 142.4° |
| C24 | C31 | C30 | H31 | 119.9° | 128.0° |
| C31 | C24 | C25 | H25 | 85.5° | 155.1° |
| C31 | C24 | C25 | H25A | 154.5° | 82.6° |
| C24 | C31 | C27 | H27 | 129.0° | 105.0° |
| C24 | C31 | C30 | H30 | 151.2° | 99.7° |
| C24 | C31 | C30 | H30A | 31.2° | 24.4° |
| C25 | O26 | C27 | C31 | 14.6° | 6.8° |
| O26 | C25 | C24 | H24 | 156.6° | 81.8° |
| O26 | C25 | H25 | H25A | 122.5° | 122.2° |
| C25 | O26 | C27 | H27 | 106.2° | 128.6° |
| O26 | C27 | C31 | H27 | 121.2° | 121.4° |
| O26 | C27 | C31 | C30 | 130.3° | 96.1° |
| C27 | O26 | C25 | H25 | 89.5° | 146.3° |
| C27 | O26 | C25 | H25A | 150.5° | 91.4° |
| O26 | C27 | C31 | H31 | 111.0° | 139.9° |
| C27 | C31 | C30 | C29 | 23.9° | 34.1° |
| C27 | C31 | C30 | H31 | 127.5° | 123.7° |
| C27 | C31 | C24 | H24 | 152.7° | 86.9° |
| C27 | C31 | C30 | H30 | 96.1° | 152.0° |
| C27 | C31 | C30 | H30A | 143.9° | 83.8° |
| C29 | C30 | C31 | H30 | 120.0° | 117.9° |
| C29 | C30 | C31 | H30A | 120.0° | 117.9° |
| C30 | C29 | H29 | H29A | 121.5° | 122.2° |
| C29 | C30 | H30 | H30A | 122.1° | 124.2° |
| C29 | C30 | C31 | H31 | 151.4° | 89.6° |
| C30 | C31 | C24 | H24 | 94.5° | 165.2° |
| C30 | C31 | C27 | H27 | 108.5° | 142.5° |
| C31 | C30 | C29 | H29 | 147.7° | 82.3° |
| C31 | C30 | C29 | H29A | 92.3° | 155.5° |
| C31 | C30 | H30 | H30A | 122.1° | 124.2° |
| C32 | C38 | C33 | C34 | 179.4° | 180.0° |
| C32 | C38 | C33 | C37 | 178.9° | 180.0° |
| C32 | C38 | C37 | C36 | 178.9° | 180.0° |
| C38 | C32 | C19 | H19 | 61.8° | 55.0° |
| C38 | C32 | H32 | H32A | 119.8° | 120.0° |
| C32 | C38 | C33 | H33 | 0.6° | 0.3° |
| C32 | C38 | C37 | H37 | 1.1° | 0.1° |
| C34 | C33 | C38 | H33 | 180.0° | 179.7° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.4° | 0.1° |
| C34 | C33 | C38 | C37 | 1.7° | 0.0° |
| C33 | C34 | C35 | H35 | 179.6° | 180.0° |
| C38 | C33 | C34 | C35 | 0.7° | 0.1° |
| C33 | C38 | C37 | C36 | 2.2° | 0.1° |
| C33 | C38 | C32 | H32 | 8.2° | 30.0° |
| C33 | C38 | C32 | H32A | 128.2° | 150.0° |
| C38 | C33 | C34 | H34 | 179.3° | 180.0° |
| C33 | C38 | C37 | H37 | 177.8° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 1.0° | 0.2° |
| C35 | C34 | C33 | H33 | 179.2° | 179.8° |
| C34 | C35 | C36 | H36 | 179.0° | 179.9° |
| C35 | C36 | C37 | H36 | 180.0° | 179.8° |
| C35 | C36 | C37 | C38 | 1.9° | 0.1° |
| C36 | C35 | C34 | H34 | 179.7° | 180.0° |
| C35 | C36 | C37 | H37 | 178.1° | 180.0° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C37 | C36 | C35 | H35 | 179.0° | 179.9° |
| C37 | C38 | C32 | H32 | 170.7° | 150.0° |
| C37 | C38 | C32 | H32A | 50.7° | 30.0° |
| C37 | C38 | C33 | H33 | 178.3° | 179.7° |
| C38 | C37 | C36 | H36 | 178.1° | 179.9° |
| H1 | C1 | O1 | HO1 | 60.0° | 59.9° |
| H1A | C1 | O1 | HO1 | 60.0° | 60.1° |
| H3 | C3 | C4 | H4 | 0.7° | 0.1° |
| H6 | C6 | C7 | H7 | 2.4° | 0.1° |
| H12 | C12 | C13 | H13 | 172.9° | 55.0° |
| H12A | C12 | C13 | H13 | 67.1° | 64.9° |
| H13 | C13 | C14 | H14 | 63.0° | 172.0° |
| H13 | C13 | C14 | H14A | 177.0° | 68.1° |
| H13 | C13 | C15 | H15 | 62.8° | 65.5° |
| H13 | C13 | C15 | H15A | 57.2° | 174.5° |
| H14 | C14 | C20 | H20 | 60.0° | 59.3° |
| H14 | C14 | C20 | H20A | 180.0° | 179.3° |
| H14 | C14 | C20 | H20B | 60.0° | 60.7° |
| H14A | C14 | C20 | H20 | 60.0° | 60.6° |
| H14A | C14 | C20 | H20A | 60.0° | 59.4° |
| H14A | C14 | C20 | H20B | 180.0° | 179.4° |
| H15 | C15 | C18 | H18 | 60.0° | 60.0° |
| H15 | C15 | C18 | H18A | 180.0° | 180.0° |
| H15 | C15 | C18 | H18B | 60.0° | 60.0° |
| H15A | C15 | C18 | H18 | 60.0° | 59.9° |
| H15A | C15 | C18 | H18A | 60.1° | 60.1° |
| H15A | C15 | C18 | H18B | 180.0° | 179.9° |
| H16 | C16 | C17 | H17 | 73.8° | 175.0° |
| H16A | C16 | C17 | H17 | 166.2° | 65.0° |
| H17 | C17 | O18 | HO18 | 63.0° | 180.0° |
| H17 | C17 | C19 | H19 | 70.2° | 65.1° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| H19 | C19 | N20 | HN20 | 171.0° | 145.1° |
| H19 | C19 | C32 | H32 | 178.1° | 175.0° |
| H19 | C19 | C32 | H32A | 58.1° | 65.0° |
| H20 | C20 | H20A | H20B | 120.0° | 120.0° |
| H24 | C24 | C25 | H25 | 36.6° | 37.0° |
| H24 | C24 | C25 | H25A | 83.4° | 159.3° |
| H24 | C24 | C31 | H31 | 25.2° | 36.8° |
| H27 | C27 | C31 | H31 | 10.1° | 18.5° |
| H29 | C29 | C30 | H30 | 27.7° | 35.6° |
| H29 | C29 | C30 | H30A | 92.2° | 159.8° |
| H29A | C29 | C30 | H30 | 147.7° | 86.5° |
| H29A | C29 | C30 | H30A | 27.7° | 37.6° |
| H30 | C30 | C31 | H31 | 31.3° | 28.3° |
| H30A | C30 | C31 | H31 | 88.6° | 152.5° |
| H33 | C33 | C34 | H34 | 0.7° | 0.3° |
| H34 | C34 | C35 | H35 | 0.3° | 0.0° |
| H35 | C35 | C36 | H36 | 1.0° | 0.1° |
| H36 | C36 | C37 | H37 | 1.9° | 0.2° |
