K2E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.44Å | 1.45Å | |
| C1 | O2 | sing | 1.44Å | 1.44Å | |
| O1 | C2 | sing | 1.37Å | 1.38Å | |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| O2 | C3 | sing | 1.36Å | 1.38Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | 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 |
| S8 | O9 | doub | 1.42Å | 1.44Å | |
| S8 | O10 | doub | 1.42Å | 1.44Å | |
| S8 | N11 | sing | 1.66Å | 1.63Å | |
| N11 | C12 | sing | 1.46Å | 1.48Å | |
| N11 | C16 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C20 | sing | 1.53Å | 1.51Å | |
| C15 | C18 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | O18 | sing | 1.43Å | 1.43Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | N20 | sing | 1.46Å | 1.44Å | |
| C19 | C32 | sing | 1.53Å | 1.54Å | |
| N20 | C21 | sing | 1.35Å | 1.32Å | |
| C21 | O22 | doub | 1.21Å | 1.22Å | |
| C21 | O23 | sing | 1.35Å | 1.44Å | |
| O23 | C24 | sing | 1.45Å | 1.42Å | |
| C24 | C25 | sing | 1.54Å | 1.52Å | |
| C24 | C31 | sing | 1.54Å | 1.51Å | |
| C25 | O26 | sing | 1.43Å | 1.42Å | |
| O26 | C27 | sing | 1.44Å | 1.42Å | |
| C27 | O28 | sing | 1.43Å | 1.43Å | |
| C27 | C31 | sing | 1.56Å | 1.52Å | |
| O28 | C29 | sing | 1.43Å | 1.43Å | |
| C29 | C30 | sing | 1.54Å | 1.53Å | |
| C30 | C31 | sing | 1.55Å | 1.52Å | |
| 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 | 1.38Å | 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 | |
| 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 | O2 | 105.8° | 103.8° |
| C1 | O1 | C2 | 106.7° | 105.5° |
| O1 | C1 | H1 | 110.7° | 110.6° |
| O1 | C1 | H1A | 110.7° | 110.6° |
| C1 | O2 | C3 | 107.3° | 105.5° |
| O2 | C1 | H1 | 110.7° | 110.6° |
| O2 | C1 | H1A | 110.7° | 110.6° |
| O1 | C2 | C3 | 109.8° | 108.6° |
| O1 | C2 | C7 | 130.1° | 131.5° |
| C3 | C2 | C7 | 120.0° | 119.8° |
| C2 | C3 | O2 | 109.6° | 108.6° |
| C2 | C3 | C4 | 121.4° | 119.8° |
| C2 | C7 | C6 | 118.9° | 120.1° |
| C2 | C7 | H7 | 120.6° | 120.0° |
| O2 | C3 | C4 | 129.0° | 131.5° |
| C3 | C4 | C5 | 120.8° | 120.0° |
| C3 | C4 | H4 | 119.6° | 120.0° |
| C4 | C5 | C6 | 116.9° | 120.1° |
| C4 | C5 | S8 | 120.5° | 119.9° |
| C5 | C4 | H4 | 119.6° | 120.0° |
| C6 | C5 | S8 | 122.6° | 120.0° |
| C5 | C6 | C7 | 122.0° | 120.1° |
| C5 | C6 | H6 | 119.0° | 119.9° |
| C5 | S8 | O9 | 109.6° | 106.4° |
| C5 | S8 | O10 | 111.7° | 106.4° |
| C5 | S8 | N11 | 107.4° | 107.2° |
| C7 | C6 | H6 | 119.0° | 119.9° |
| C6 | C7 | H7 | 120.5° | 120.0° |
| O9 | S8 | O10 | 114.2° | 123.2° |
| O9 | S8 | N11 | 106.3° | 106.4° |
| O10 | S8 | N11 | 107.3° | 106.4° |
| S8 | N11 | C12 | 114.0° | 120.0° |
| S8 | N11 | C16 | 113.9° | 120.0° |
| C12 | N11 | C16 | 112.5° | 120.0° |
| N11 | C12 | C13 | 112.6° | 109.5° |
| N11 | C12 | H12 | 108.5° | 109.5° |
| N11 | C12 | H12A | 108.5° | 109.5° |
| N11 | C16 | C17 | 106.3° | 109.5° |
| N11 | C16 | H16 | 110.6° | 109.4° |
| N11 | C16 | H16A | 110.6° | 109.5° |
| C12 | C13 | C14 | 112.0° | 109.4° |
| C12 | C13 | C15 | 109.8° | 109.5° |
| C13 | C12 | H12 | 108.4° | 109.4° |
| C13 | C12 | H12A | 108.4° | 109.5° |
| C12 | C13 | H13 | 108.3° | 109.5° |
| C14 | C13 | C15 | 111.6° | 109.5° |
| C13 | C14 | C20 | 112.4° | 109.5° |
| C14 | C13 | H13 | 106.4° | 109.5° |
| C13 | C14 | H14 | 108.5° | 109.5° |
| C13 | C14 | H14A | 108.5° | 109.5° |
| C13 | C15 | C18 | 114.9° | 109.5° |
| C15 | C13 | H13 | 108.6° | 109.5° |
| C13 | C15 | H15 | 107.7° | 109.5° |
| C13 | C15 | H15A | 107.7° | 109.5° |
| C20 | C14 | H14 | 108.5° | 109.4° |
| C20 | C14 | H14A | 108.5° | 109.5° |
| C14 | C20 | H20 | 109.5° | 109.5° |
| C14 | C20 | H20A | 109.5° | 109.5° |
| C14 | C20 | H20B | 109.5° | 109.4° |
| C18 | C15 | H15 | 107.7° | 109.4° |
| C18 | C15 | H15A | 107.7° | 109.5° |
| C15 | C18 | H18 | 109.5° | 109.5° |
| C15 | C18 | H18A | 109.4° | 109.5° |
| C15 | C18 | H18B | 109.5° | 109.5° |
| C16 | C17 | O18 | 110.8° | 109.5° |
| C16 | C17 | C19 | 113.9° | 109.5° |
| C17 | C16 | H16 | 110.5° | 109.5° |
| C17 | C16 | H16A | 110.5° | 109.5° |
| C16 | C17 | H17 | 105.9° | 109.5° |
| O18 | C17 | C19 | 110.9° | 109.4° |
| O18 | C17 | H17 | 109.2° | 109.5° |
| C17 | O18 | HO18 | 109.5° | 114.1° |
| C17 | C19 | N20 | 107.6° | 109.5° |
| C17 | C19 | C32 | 114.9° | 109.5° |
| C19 | C17 | H17 | 105.7° | 109.5° |
| C17 | C19 | H19 | 106.7° | 109.5° |
| N20 | C19 | C32 | 108.2° | 109.4° |
| C19 | N20 | C21 | 127.3° | 120.0° |
| N20 | C19 | H19 | 113.5° | 109.5° |
| C19 | N20 | HN20 | 116.3° | 120.0° |
| C19 | C32 | C38 | 109.4° | 109.5° |
| C32 | C19 | H19 | 106.1° | 109.5° |
| C19 | C32 | H32 | 109.5° | 109.5° |
| C19 | C32 | H32A | 109.5° | 109.4° |
| N20 | C21 | O22 | 130.3° | 120.0° |
| N20 | C21 | O23 | 112.1° | 120.0° |
| C21 | N20 | HN20 | 116.4° | 120.0° |
| O22 | C21 | O23 | 117.7° | 120.0° |
| C21 | O23 | C24 | 118.0° | 117.0° |
| O23 | C24 | C25 | 104.3° | 110.4° |
| O23 | C24 | C31 | 108.9° | 110.4° |
| O23 | C24 | H24 | 111.2° | 110.3° |
| C25 | C24 | C31 | 103.0° | 104.8° |
| C24 | C25 | O26 | 103.9° | 107.4° |
| C25 | C24 | H24 | 116.4° | 110.4° |
| C24 | C25 | H25 | 111.3° | 109.9° |
| C24 | C25 | H25A | 111.4° | 109.9° |
| C24 | C31 | C27 | 104.8° | 102.7° |
| C24 | C31 | C30 | 116.5° | 108.8° |
| C31 | C24 | H24 | 112.4° | 110.5° |
| C24 | C31 | H31 | 106.2° | 113.8° |
| C25 | O26 | C27 | 109.9° | 107.9° |
| O26 | C25 | H25 | 111.4° | 109.9° |
| O26 | C25 | H25A | 111.4° | 109.8° |
| O26 | C27 | O28 | 110.0° | 108.8° |
| O26 | C27 | C31 | 106.6° | 104.0° |
| O26 | C27 | H27 | 110.9° | 112.5° |
| O28 | C27 | C31 | 109.1° | 105.2° |
| C27 | O28 | C29 | 109.1° | 110.4° |
| O28 | C27 | H27 | 108.5° | 112.5° |
| C27 | C31 | C30 | 102.9° | 101.2° |
| C31 | C27 | H27 | 111.8° | 113.2° |
| C27 | C31 | H31 | 119.1° | 114.2° |
| O28 | C29 | C30 | 105.1° | 107.7° |
| O28 | C29 | H29 | 111.0° | 109.8° |
| O28 | C29 | H29A | 111.0° | 109.8° |
| C29 | C30 | C31 | 104.1° | 102.6° |
| C30 | C29 | H29 | 111.0° | 109.8° |
| C30 | C29 | H29A | 111.0° | 109.9° |
| C29 | C30 | H30 | 111.3° | 110.8° |
| C29 | C30 | H30A | 111.3° | 110.7° |
| C31 | C30 | H30 | 111.3° | 110.8° |
| C31 | C30 | H30A | 111.3° | 110.8° |
| C30 | C31 | H31 | 107.9° | 114.7° |
| C32 | C38 | C33 | 120.2° | 120.0° |
| C32 | C38 | C37 | 121.1° | 120.0° |
| C38 | C32 | H32 | 109.5° | 109.5° |
| C38 | C32 | H32A | 109.5° | 109.5° |
| C34 | C33 | C38 | 120.9° | 120.0° |
| C33 | C34 | C35 | 119.8° | 120.0° |
| C34 | C33 | H33 | 119.6° | 120.0° |
| C33 | C34 | H34 | 120.1° | 120.0° |
| C33 | C38 | C37 | 118.7° | 120.0° |
| C38 | C33 | H33 | 119.5° | 120.0° |
| C34 | C35 | C36 | 120.0° | 120.0° |
| C35 | C34 | H34 | 120.1° | 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 | 120.4° | 120.0° |
| C37 | C36 | H36 | 119.9° | 120.0° |
| C36 | C37 | H37 | 119.8° | 120.0° |
| C38 | C37 | H37 | 119.8° | 120.0° |
| H1 | C1 | H1A | 108.2° | 110.6° |
| H12 | C12 | H12A | 110.5° | 109.5° |
| H14 | C14 | H14A | 110.4° | 109.5° |
| H15 | C15 | H15A | 111.2° | 109.4° |
| H16 | C16 | H16A | 108.4° | 109.4° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H18 | C18 | H18B | 109.4° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.4° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H20 | C20 | H20B | 109.5° | 109.4° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| H25 | C25 | H25A | 107.5° | 109.9° |
| H29 | C29 | H29A | 107.9° | 109.9° |
| H30 | C30 | H30A | 107.6° | 110.9° |
| H32 | C32 | H32A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | H1 | 120.0° | 118.6° |
| O1 | C1 | O2 | H1A | 120.0° | 118.6° |
| C1 | O1 | C2 | C3 | 6.2° | 17.2° |
| C1 | O1 | C2 | C7 | 176.2° | 162.7° |
| O1 | C1 | O2 | C3 | 7.8° | 27.1° |
| O1 | C1 | H1 | H1A | 121.5° | 122.8° |
| O2 | C1 | O1 | C2 | 8.5° | 27.1° |
| C1 | O2 | C3 | C2 | 4.3° | 17.3° |
| C1 | O2 | C3 | C4 | 175.5° | 162.7° |
| O2 | C1 | H1 | H1A | 121.5° | 122.8° |
| O1 | C2 | C3 | C7 | 177.9° | 180.0° |
| O1 | C2 | C3 | O2 | 1.3° | 0.0° |
| O1 | C2 | C3 | C4 | 178.9° | 180.0° |
| O1 | C2 | C7 | C6 | 179.2° | 179.9° |
| C2 | O1 | C1 | H1 | 128.5° | 145.7° |
| C2 | O1 | C1 | H1A | 111.5° | 91.5° |
| O1 | C2 | C7 | H7 | 0.8° | 0.0° |
| C2 | C3 | O2 | C4 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 1.5° | 0.0° |
| C3 | C2 | C7 | C6 | 1.8° | 0.0° |
| C2 | C3 | C4 | H4 | 178.5° | 180.0° |
| C3 | C2 | C7 | H7 | 178.2° | 179.9° |
| C7 | C2 | C3 | O2 | 179.1° | 180.0° |
| C7 | C2 | C3 | C4 | 1.1° | 0.0° |
| C2 | C7 | C6 | C5 | 0.1° | 0.1° |
| C2 | C7 | C6 | H7 | 180.0° | 179.9° |
| C2 | C7 | C6 | H6 | 179.9° | 180.0° |
| O2 | C3 | C4 | C5 | 178.3° | 180.0° |
| C3 | O2 | C1 | H1 | 127.8° | 145.7° |
| C3 | O2 | C1 | H1A | 112.2° | 91.5° |
| O2 | C3 | C4 | H4 | 1.7° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 3.1° | 0.0° |
| C3 | C4 | C5 | S8 | 176.6° | 180.0° |
| C4 | C5 | C6 | S8 | 179.7° | 180.0° |
| C4 | C5 | C6 | C7 | 2.3° | 0.0° |
| C4 | C5 | S8 | O9 | 150.8° | 156.4° |
| C4 | C5 | S8 | O10 | 23.2° | 23.5° |
| C4 | C5 | S8 | N11 | 94.2° | 90.0° |
| C4 | C5 | C6 | H6 | 177.7° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C6 | C5 | S8 | O9 | 29.5° | 23.5° |
| C6 | C5 | S8 | O10 | 157.1° | 156.4° |
| C6 | C5 | S8 | N11 | 85.5° | 90.0° |
| C6 | C5 | C4 | H4 | 176.9° | 180.0° |
| C5 | C6 | C7 | H7 | 179.9° | 179.9° |
| S8 | C5 | C6 | C7 | 177.3° | 179.9° |
| C5 | S8 | O9 | O10 | 126.1° | 122.9° |
| C5 | S8 | O9 | N11 | 115.7° | 114.1° |
| C5 | S8 | O10 | N11 | 117.5° | 114.1° |
| C5 | S8 | N11 | C12 | 51.4° | 97.6° |
| C5 | S8 | N11 | C16 | 79.5° | 82.4° |
| S8 | C5 | C4 | H4 | 3.4° | 0.0° |
| S8 | C5 | C6 | H6 | 2.7° | 0.0° |
| O9 | S8 | O10 | N11 | 117.5° | 123.0° |
| O9 | S8 | N11 | C12 | 168.6° | 15.9° |
| O9 | S8 | N11 | C16 | 37.7° | 164.1° |
| O10 | S8 | N11 | C12 | 68.8° | 148.9° |
| O10 | S8 | N11 | C16 | 160.3° | 31.1° |
| S8 | N11 | C12 | C16 | 131.6° | 180.0° |
| S8 | N11 | C12 | C13 | 141.9° | 96.1° |
| S8 | N11 | C16 | C17 | 120.2° | 93.4° |
| S8 | N11 | C12 | H12 | 22.0° | 143.9° |
| S8 | N11 | C12 | H12A | 98.1° | 23.9° |
| S8 | N11 | C16 | H16 | 119.8° | 146.6° |
| S8 | N11 | C16 | H16A | 0.2° | 26.7° |
| N11 | C12 | C13 | H12 | 120.0° | 120.0° |
| N11 | C12 | C13 | H12A | 120.0° | 120.0° |
| N11 | C12 | C13 | C14 | 62.1° | 65.0° |
| N11 | C12 | C13 | C15 | 173.3° | 55.0° |
| C12 | N11 | C16 | C17 | 108.1° | 86.6° |
| N11 | C12 | H12 | H12A | 118.8° | 120.0° |
| N11 | C12 | C13 | H13 | 54.8° | 175.0° |
| C12 | N11 | C16 | H16 | 11.8° | 33.4° |
| C12 | N11 | C16 | H16A | 131.9° | 153.3° |
| C16 | N11 | C12 | C13 | 86.5° | 83.9° |
| N11 | C16 | C17 | H16 | 120.0° | 120.0° |
| N11 | C16 | C17 | H16A | 120.0° | 120.0° |
| N11 | C16 | C17 | O18 | 162.6° | 65.0° |
| N11 | C16 | C17 | C19 | 71.5° | 175.0° |
| C16 | N11 | C12 | H12 | 153.6° | 36.1° |
| C16 | N11 | C12 | H12A | 33.5° | 156.0° |
| N11 | C16 | H16 | H16A | 121.3° | 119.9° |
| N11 | C16 | C17 | H17 | 44.3° | 55.0° |
| C12 | C13 | C14 | C15 | 123.6° | 120.0° |
| C12 | C13 | C14 | H13 | 118.1° | 120.0° |
| C12 | C13 | C15 | H13 | 118.3° | 120.0° |
| C12 | C13 | C14 | C20 | 164.9° | 68.0° |
| C12 | C13 | C15 | C18 | 64.1° | 65.6° |
| C13 | C12 | H12 | H12A | 118.7° | 120.0° |
| C12 | C13 | C14 | H14 | 44.9° | 51.9° |
| C12 | C13 | C14 | H14A | 75.1° | 171.9° |
| C12 | C13 | C15 | H15 | 56.0° | 174.4° |
| C12 | C13 | C15 | H15A | 176.0° | 54.4° |
| C14 | C13 | C15 | H13 | 117.0° | 120.0° |
| C13 | C14 | C20 | H14 | 120.0° | 120.0° |
| C13 | C14 | C20 | H14A | 120.0° | 120.0° |
| C14 | C13 | C15 | C18 | 60.7° | 174.4° |
| C14 | C13 | C12 | H12 | 57.9° | 175.0° |
| C14 | C13 | C12 | H12A | 177.9° | 55.1° |
| C13 | C14 | H14 | H14A | 118.8° | 120.0° |
| C14 | C13 | C15 | H15 | 179.3° | 54.4° |
| C14 | C13 | C15 | H15A | 59.3° | 65.5° |
| C13 | C14 | C20 | H20 | 180.0° | 59.3° |
| C13 | C14 | C20 | H20A | 60.0° | 179.3° |
| C13 | C14 | C20 | H20B | 60.0° | 60.7° |
| C15 | C13 | C14 | C20 | 71.5° | 172.0° |
| C13 | C15 | C18 | H15 | 120.0° | 120.0° |
| C13 | C15 | C18 | H15A | 120.0° | 120.1° |
| C15 | C13 | C12 | H12 | 66.7° | 65.0° |
| C15 | C13 | C12 | H12A | 53.3° | 175.0° |
| C15 | C13 | C14 | H14 | 168.5° | 68.0° |
| C15 | C13 | C14 | H14A | 48.5° | 52.0° |
| C13 | C15 | H15 | H15A | 117.8° | 120.0° |
| C13 | C15 | C18 | H18 | 180.0° | 180.0° |
| C13 | C15 | C18 | H18A | 60.0° | 60.0° |
| C13 | C15 | C18 | H18B | 60.0° | 59.9° |
| C20 | C14 | C13 | H13 | 46.8° | 52.0° |
| C20 | C14 | H14 | H14A | 118.8° | 120.0° |
| C14 | C20 | H20 | H20A | 120.0° | 120.0° |
| C14 | C20 | H20 | H20B | 120.0° | 120.0° |
| C14 | C20 | H20A | H20B | 120.0° | 120.0° |
| C18 | C15 | C13 | H13 | 177.7° | 54.4° |
| C18 | C15 | H15 | H15A | 117.8° | 119.9° |
| C15 | C18 | H18 | H18A | 120.0° | 120.0° |
| C15 | C18 | H18 | H18B | 120.0° | 120.0° |
| C15 | C18 | H18A | H18B | 120.0° | 120.0° |
| C16 | C17 | O18 | C19 | 127.6° | 120.0° |
| C16 | C17 | O18 | H17 | 116.3° | 120.0° |
| C16 | C17 | C19 | H17 | 115.9° | 120.0° |
| C16 | C17 | C19 | N20 | 168.1° | 175.0° |
| C16 | C17 | C19 | C32 | 71.2° | 65.0° |
| C17 | C16 | H16 | H16A | 121.3° | 120.0° |
| C16 | C17 | O18 | HO18 | 180.0° | 59.9° |
| C16 | C17 | C19 | H19 | 46.0° | 55.0° |
| O18 | C17 | C19 | H17 | 118.3° | 120.0° |
| O18 | C17 | C19 | N20 | 66.1° | 65.0° |
| O18 | C17 | C19 | C32 | 54.6° | 55.0° |
| O18 | C17 | C16 | H16 | 42.6° | 55.0° |
| O18 | C17 | C16 | H16A | 77.4° | 175.0° |
| O18 | C17 | C19 | H19 | 171.8° | 175.0° |
| C17 | C19 | N20 | C32 | 124.7° | 120.0° |
| C17 | C19 | N20 | H19 | 117.8° | 120.1° |
| C17 | C19 | C32 | H19 | 117.5° | 120.1° |
| C17 | C19 | N20 | C21 | 106.3° | 155.0° |
| C17 | C19 | C32 | C38 | 179.4° | 175.0° |
| C19 | C17 | C16 | H16 | 168.5° | 65.0° |
| C19 | C17 | C16 | H16A | 48.5° | 55.0° |
| C19 | C17 | O18 | HO18 | 52.4° | 60.0° |
| C17 | C19 | N20 | HN20 | 73.7° | 25.0° |
| C17 | C19 | C32 | H32 | 60.6° | 65.0° |
| C17 | C19 | C32 | H32A | 59.4° | 55.1° |
| N20 | C19 | C32 | H19 | 122.1° | 120.0° |
| C19 | N20 | C21 | HN20 | 180.0° | 180.0° |
| C19 | N20 | C21 | O22 | 3.0° | 0.0° |
| C19 | N20 | C21 | O23 | 177.2° | 180.0° |
| N20 | C19 | C32 | C38 | 60.3° | 65.0° |
| N20 | C19 | C17 | H17 | 52.2° | 55.0° |
| N20 | C19 | C32 | H32 | 59.7° | 55.0° |
| N20 | C19 | C32 | H32A | 179.7° | 175.0° |
| C32 | C19 | N20 | C21 | 128.9° | 85.0° |
| C19 | C32 | C38 | H32 | 120.0° | 120.0° |
| C19 | C32 | C38 | H32A | 120.0° | 119.9° |
| C19 | C32 | C38 | C33 | 108.6° | 90.0° |
| C19 | C32 | C38 | C37 | 71.5° | 89.9° |
| C32 | C19 | C17 | H17 | 172.9° | 175.0° |
| C32 | C19 | N20 | HN20 | 51.1° | 95.0° |
| C19 | C32 | H32 | H32A | 120.0° | 120.0° |
| N20 | C21 | O22 | O23 | 179.8° | 180.0° |
| N20 | C21 | O23 | C24 | 169.8° | 180.0° |
| C21 | N20 | C19 | H19 | 11.5° | 34.9° |
| O22 | C21 | O23 | C24 | 10.4° | 0.0° |
| O22 | C21 | N20 | HN20 | 177.0° | 180.0° |
| C21 | O23 | C24 | C25 | 140.9° | 91.4° |
| C21 | O23 | C24 | C31 | 109.7° | 153.2° |
| O23 | C21 | N20 | HN20 | 2.8° | 0.0° |
| C21 | O23 | C24 | H24 | 14.7° | 30.9° |
| O23 | C24 | C25 | C31 | 113.7° | 118.9° |
| O23 | C24 | C25 | H24 | 122.9° | 122.2° |
| O23 | C24 | C31 | H24 | 123.6° | 122.2° |
| O23 | C24 | C25 | O26 | 79.5° | 115.4° |
| O23 | C24 | C31 | C27 | 85.0° | 136.5° |
| O23 | C24 | C31 | C30 | 27.9° | 29.8° |
| O23 | C24 | C25 | H25 | 160.5° | 125.1° |
| O23 | C24 | C25 | H25A | 40.5° | 4.1° |
| O23 | C24 | C31 | H31 | 148.1° | 99.4° |
| C25 | C24 | C31 | H24 | 126.0° | 118.9° |
| C24 | C25 | O26 | H25 | 120.0° | 119.5° |
| C24 | C25 | O26 | H25A | 120.0° | 119.5° |
| C24 | C25 | O26 | C27 | 31.0° | 25.7° |
| C25 | C24 | C31 | C27 | 25.3° | 17.6° |
| C25 | C24 | C31 | C30 | 138.3° | 89.0° |
| C24 | C25 | H25 | H25A | 122.2° | 121.1° |
| C25 | C24 | C31 | H31 | 101.6° | 141.7° |
| C31 | C24 | C25 | O26 | 34.2° | 3.5° |
| C24 | C31 | C27 | O26 | 7.8° | 33.0° |
| C24 | C31 | C27 | O28 | 111.0° | 147.3° |
| C24 | C31 | C27 | C30 | 122.3° | 112.5° |
| C24 | C31 | C27 | H31 | 118.5° | 123.8° |
| C24 | C31 | C30 | C29 | 88.4° | 140.8° |
| C24 | C31 | C30 | H31 | 119.2° | 128.8° |
| C31 | C24 | C25 | H25 | 85.8° | 116.0° |
| C31 | C24 | C25 | H25A | 154.2° | 122.9° |
| C24 | C31 | C27 | H27 | 129.0° | 89.5° |
| C24 | C31 | C30 | H30 | 151.6° | 100.9° |
| C24 | C31 | C30 | H30A | 31.6° | 22.6° |
| C25 | O26 | C27 | O28 | 132.9° | 148.6° |
| C25 | O26 | C27 | C31 | 14.7° | 36.9° |
| O26 | C25 | C24 | H24 | 157.6° | 122.5° |
| O26 | C25 | H25 | H25A | 122.3° | 121.0° |
| C25 | O26 | C27 | H27 | 107.1° | 86.0° |
| O26 | C27 | O28 | C31 | 116.6° | 110.9° |
| O26 | C27 | O28 | H27 | 121.4° | 125.4° |
| O26 | C27 | C31 | H27 | 121.3° | 122.5° |
| O26 | C27 | O28 | C29 | 107.8° | 88.0° |
| O26 | C27 | C31 | C30 | 130.0° | 79.5° |
| C27 | O26 | C25 | H25 | 89.0° | 93.8° |
| C27 | O26 | C25 | H25A | 151.0° | 145.2° |
| O26 | C27 | C31 | H31 | 110.7° | 156.8° |
| O28 | C27 | C31 | H27 | 120.0° | 123.3° |
| C27 | O28 | C29 | C30 | 25.3° | 1.0° |
| O28 | C27 | C31 | C30 | 11.3° | 34.8° |
| C27 | O28 | C29 | H29 | 145.3° | 120.5° |
| C27 | O28 | C29 | H29A | 94.7° | 118.6° |
| O28 | C27 | C31 | H31 | 130.5° | 88.9° |
| C31 | C27 | O28 | C29 | 8.8° | 22.9° |
| C27 | C31 | C30 | C29 | 25.6° | 33.1° |
| C27 | C31 | C30 | H31 | 126.7° | 123.5° |
| C27 | C31 | C24 | H24 | 151.3° | 101.3° |
| C27 | C31 | C30 | H30 | 94.4° | 151.4° |
| C27 | C31 | C30 | H30A | 145.6° | 85.1° |
| O28 | C29 | C30 | H29 | 120.0° | 119.5° |
| O28 | C29 | C30 | H29A | 120.0° | 119.6° |
| O28 | C29 | C30 | C31 | 31.7° | 21.3° |
| C29 | O28 | C27 | H27 | 130.8° | 146.5° |
| O28 | C29 | H29 | H29A | 121.8° | 120.9° |
| O28 | C29 | C30 | H30 | 88.3° | 139.6° |
| O28 | C29 | C30 | H30A | 151.7° | 97.0° |
| C29 | C30 | C31 | H30 | 120.0° | 118.3° |
| C29 | C30 | C31 | H30A | 120.0° | 118.2° |
| C30 | C29 | H29 | H29A | 121.8° | 120.9° |
| C29 | C30 | H30 | H30A | 122.2° | 123.4° |
| C29 | C30 | C31 | H31 | 152.3° | 90.4° |
| C30 | C31 | C24 | H24 | 95.7° | 152.1° |
| C30 | C31 | C27 | H27 | 108.7° | 158.1° |
| C31 | C30 | C29 | H29 | 151.7° | 98.3° |
| C31 | C30 | C29 | H29A | 88.3° | 140.8° |
| C31 | C30 | H30 | H30A | 122.2° | 123.4° |
| C32 | C38 | C33 | C34 | 179.0° | 180.0° |
| C32 | C38 | C33 | C37 | 179.9° | 180.0° |
| C32 | C38 | C37 | C36 | 179.2° | 180.0° |
| C38 | C32 | C19 | H19 | 61.8° | 54.9° |
| C38 | C32 | H32 | H32A | 120.0° | 120.0° |
| C32 | C38 | C33 | H33 | 1.0° | 0.3° |
| C32 | C38 | C37 | H37 | 0.8° | 0.0° |
| C34 | C33 | C38 | H33 | 180.0° | 179.7° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.2° | 0.1° |
| C34 | C33 | C38 | C37 | 1.1° | 0.0° |
| C33 | C34 | C35 | H35 | 179.8° | 180.0° |
| C38 | C33 | C34 | C35 | 0.8° | 0.0° |
| C33 | C38 | C37 | C36 | 0.9° | 0.1° |
| C33 | C38 | C32 | H32 | 11.4° | 30.0° |
| C33 | C38 | C32 | H32A | 131.4° | 150.1° |
| C38 | C33 | C34 | H34 | 179.2° | 180.0° |
| C33 | C38 | C37 | H37 | 179.1° | 179.9° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.0° | 0.1° |
| C35 | C34 | C33 | H33 | 179.2° | 179.7° |
| C34 | C35 | C36 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | H36 | 180.0° | 179.8° |
| C35 | C36 | C37 | C38 | 0.4° | 0.1° |
| C36 | C35 | C34 | H34 | 179.8° | 180.0° |
| C35 | C36 | C37 | H37 | 179.6° | 179.9° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C37 | C36 | C35 | H35 | 180.0° | 180.0° |
| C37 | C38 | C32 | H32 | 168.5° | 150.0° |
| C37 | C38 | C32 | H32A | 48.5° | 30.0° |
| C37 | C38 | C33 | H33 | 178.9° | 179.7° |
| C38 | C37 | C36 | H36 | 179.6° | 179.9° |
| H6 | C6 | C7 | H7 | 0.1° | 0.1° |
| H12 | C12 | C13 | H13 | 174.8° | 55.0° |
| H12A | C12 | C13 | H13 | 65.2° | 65.0° |
| H13 | C13 | C14 | H14 | 73.2° | 171.9° |
| H13 | C13 | C14 | H14A | 166.8° | 68.1° |
| H13 | C13 | C15 | H15 | 62.3° | 65.6° |
| H13 | C13 | C15 | H15A | 57.7° | 174.4° |
| H14 | C14 | C20 | H20 | 60.0° | 60.7° |
| H14 | C14 | C20 | H20A | 180.0° | 59.3° |
| H14 | C14 | C20 | H20B | 60.0° | 179.3° |
| H14A | C14 | C20 | H20 | 60.0° | 179.3° |
| H14A | C14 | C20 | H20A | 60.0° | 60.7° |
| H14A | C14 | C20 | H20B | 180.0° | 59.4° |
| H15 | C15 | C18 | H18 | 60.0° | 59.9° |
| H15 | C15 | C18 | H18A | 180.0° | 180.0° |
| H15 | C15 | C18 | H18B | 60.0° | 60.1° |
| H15A | C15 | C18 | H18 | 60.0° | 60.0° |
| H15A | C15 | C18 | H18A | 60.0° | 60.1° |
| H15A | C15 | C18 | H18B | 180.0° | 180.0° |
| H16 | C16 | C17 | H17 | 75.7° | 175.0° |
| H16A | C16 | C17 | H17 | 164.3° | 65.0° |
| H17 | C17 | O18 | HO18 | 63.7° | 180.0° |
| H17 | C17 | C19 | H19 | 69.9° | 65.0° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| H19 | C19 | N20 | HN20 | 168.5° | 145.0° |
| H19 | C19 | C32 | H32 | 178.2° | 175.0° |
| H19 | C19 | C32 | H32A | 58.2° | 65.0° |
| H20 | C20 | H20A | H20B | 120.0° | 120.0° |
| H24 | C24 | C25 | H25 | 37.6° | 2.9° |
| H24 | C24 | C25 | H25A | 82.4° | 118.1° |
| H24 | C24 | C31 | H31 | 24.5° | 22.8° |
| H27 | C27 | C31 | H31 | 10.6° | 34.3° |
| H29 | C29 | C30 | H30 | 31.7° | 20.0° |
| H29 | C29 | C30 | H30A | 88.3° | 143.5° |
| H29A | C29 | C30 | H30 | 151.7° | 100.9° |
| H29A | C29 | C30 | H30A | 31.7° | 22.6° |
| H30 | C30 | C31 | H31 | 32.3° | 27.9° |
| H30A | C30 | C31 | H31 | 87.7° | 151.4° |
| H33 | C33 | C34 | H34 | 0.8° | 0.3° |
| H34 | C34 | C35 | H35 | 0.2° | 0.1° |
| H35 | C35 | C36 | H36 | 0.0° | 0.2° |
| H36 | C36 | C37 | H37 | 0.4° | 0.1° |
